A0A096MUZ3_PAPAN Loading...

HECT and RLD domain containing E3 ubiquitin protein ligase 5

AlphaFold DB (A0A2I3LJ31), UniProt , Accession A0A096MUZ3, Species PAPAN (Papio anubis, Olive baboon), Gene HERC5, Length 1,023 aa.

						>A0A096MUZ3_PAPAN|A0A096MUZ3|HERC5
MERRSRRKSRRGGRSTAGQTAASQPAKSPDAQLWLFPSAAGFYRALLRRAEVTRQICCSPRRLAVLERGGAGVQVHQVLAGSGGARTPKCIKLGKNMKIHSVDQGADHMLILSSDGKPFEYDYSMKHLRSESILQEKKIIQITCGDYHSLALSKGGELFAWGQNLHGQLGVGRKFPSTTTPQIVEHLAGVPLAQISAGEAHSMALSMSGNVYSWGKNEFGQLGLGHTESKDSPSLIEALDNQKVEFLACGGSHSALLTQDGLLFTFGAGKHGQLGHNSTQNELRPCLVAELVGNRVTQIACGRWHTLAYVSDLGKVFSFGSGKDGQLGNGGTLDQLIPLPVKVSSSEELKLESHTSEKELIMIAGGNQSILLWIKKENSYVNLKRTIPTLNEGTVKRWIADVETKRWHSTKREIQEIFSSPACLTGSFLRKRRTAEMMPVYLDLNKARNIFKELTQKDWITNMVTTCLKDNLLKRLPFHSPHQEALEVFFLLPECPVMHLSNNWESLVVPFAKVVCKMSDPSSLVLEEYWATLQESTFSKLVQMFKTAVVCQLDYWDESAEENGNVQALLEMLKKLHRVNQMKCQLPESIFQVDELLYRLNFFVEVCRRCLWKMTVDTSENAGCWVIFSHFPFIFNHLSKIKLLHTDTLLKIEGKKHKAYLMSAAIEEERESEFALMPTFDLTVRRNHLIEDVLNQLSQFENEDLRKELWVSFSGEIGYDLVGVKREFFYCLFEEMIQPEYGMFMYPEGASCMWFPVRPKFEKKRYFFFGLLCGLSLFNCNVANLPFPLALFKKLLDQMPSLEDLKELSPDLGKNLQTLLDDEGDNFEEVFYIHFNVHWDRNDTNLIPNGSSIIVNQTNKRDYVSKYIDYIFNDSVKAVYEEFRRGFYKMCDEDIIKLFHPEELKDVIVGHTDYDWKTFEKNARYEPGYNSSHPTIVMFWKAFHKLTLEEKKKFLVFLTGTDRLQTKDLKNMKITFCCPESWNERDPMRALTCFSVLFLPKYSTMETVEEALQVAINNNRGFG
					

Structure Viewer

Loading PAE data...

(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	35.7	Very low	27.8	Very low	237 Å²	237	195.5 Å²	195.5	100%	1.167	85%	0.849	S	S	*	*				0	93.8	0	-75.8	172.6	164.5	0	0	107.5
2	E	28.7	Very low	27.7	Very low	164 Å²	164	186.3 Å²	186.3	77%	0.766	85%	0.852	S	S	*	*				50.2	137	86.4	-75	-156.9	132.5	0	0	113.2
3	R	25.7	Very low	27.6	Very low	197 Å²	197	178.5 Å²	178.5	74%	0.743	85%	0.853	S	S	*	*			cis	-174	147.5	-14.1	-122.9	174	174.6	-174.4	-0	104.5
4	R	26.3	Very low	27.5	Very low	211 Å²	211	183.4 Å²	183.4	80%	0.796	86%	0.859	S	S	*	*			trans	23.7	144.1	142.1	-69.3	176.4	171.2	177.2	-1.2	119.9
5	S	25.5	Very low	27.3	Very low	108 Å²	108	178.1 Å²	178.1	76%	0.755	85%	0.849	S	S	*	*				176.1	132.3	74	79.6	0	0	0	0	110.1
6	R	27.7	Very low	27.4	Very low	200 Å²	200	175.6 Å²	175.6	76%	0.755	85%	0.85	S	S	*	*				72.5	116.5	89.6	-88.2	-172.3	175.4	-175.5	0.3	118.9
7	R	28	Very low	27.5	Very low	217 Å²	217	171.3 Å²	171.3	82%	0.819	85%	0.849	S	S	*	*				59.2	132.9	127.6	-80.1	-176.4	172.1	175.7	-2.6	122.3
8	K	27.6	Very low	27.4	Very low	199 Å²	199	165.8 Å²	165.8	87%	0.865	84%	0.843	S	S	*	*				-169.4	105.9	128.1	-100.2	170.2	-177.3	179.4	0	107.9
9	S	26.5	Very low	27.6	Very low	107 Å²	107	167.6 Å²	167.6	75%	0.748	85%	0.848	S	S	*	*				46.8	119.5	87.8	75.8	0	0	0	0	117.3
10	R	27.6	Very low	27.6	Very low	259 Å²	259	166.1 Å²	166.1	98%	0.977	85%	0.848	S	S	*	*			trans	-157.7	133.6	134.8	-112.5	175.2	177.8	176	-1.4	111.7
11	R	27.1	Very low	27.9	Very low	252 Å²	252	163.4 Å²	163.4	95%	0.951	85%	0.851	S	S	*	*			trans	-83.4	148.1	179.4	-82.6	175.8	164.7	-179.3	-4.8	111.1
12	G	26.6	Very low	27.5	Very low	85 Å²	85	156.6 Å²	156.6	88%	0.876	83%	0.832	S	S	*	*				90.5	123.4	120.2	0	0	0	0	0	119.1
13	G	25.5	Very low	27.5	Very low	84 Å²	84	154.1 Å²	154.1	87%	0.866	83%	0.833	S	S	*	*			trans	164.7	102.9	159.9	0	0	0	0	0	113.5
14	R	26.1	Very low	27.6	Very low	248 Å²	248	153.4 Å²	153.4	94%	0.936	84%	0.838	S	S	*	*			trans	-87.6	143.6	170.9	-98.2	177.9	168.3	171.3	-4.4	110.2
15	S	25.5	Very low	27.8	Very low	103 Å²	103	149.3 Å²	149.3	72%	0.72	84%	0.839	S	S	*	*				163.4	112.6	124.1	58	0	0	0	0	110
16	T	28.1	Very low	27.8	Very low	139 Å²	139	148.9 Å²	148.9	85%	0.853	84%	0.842	S	S	*	*				87.6	107.1	108.7	54.7	0	0	0	0	114.7
17	A	28.8	Very low	28.2	Very low	102 Å²	102	149.2 Å²	149.2	84%	0.843	85%	0.849	S	S	*	*			trans	-149	119.8	154.7	0	0	0	0	0	110.2
18	G	27.2	Very low	28.4	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	84%	0.839	S	S	*	*			trans	59.1	105.3	133.8	0	0	0	0	0	119.4	T20	G18-T20 PolarHBondContact O-N 3.15Å
19	Q	30.4	Very low	29.3	Very low	200 Å²	200	138.1 Å²	138.1	94%	0.935	83%	0.828	S	S	*	*			trans	-56.5	126.3	155.4	-72.8	173.3	-23.1	0	0	110.7
20	T	27.3	Very low	30.4	Very low	137 Å²	137	136.7 Å²	136.7	84%	0.84	81%	0.812	S	S	*	*			trans	-129	129.2	151.9	27	0	0	0	0	107.6	G18 A22	G18-T20 PolarHBondContact O-N 3.15Å; T20-A22 PolarHBondContact O-N 3.02Å
21	A	33.3	Very low	31.7	Very low	111 Å²	111	124.9 Å²	124.9	92%	0.917	77%	0.769	S	S	*	*			trans	-61.3	115.6	-175.5	0	0	0	0	0	110.9
22	A	28.9	Very low	33.9	Very low	94 Å²	94	115.7 Å²	115.7	78%	0.777	74%	0.737	S	S	*	*			trans	-83.5	116	166.4	0	0	0	0	0	108.6	T20 Q24	T20-A22 PolarHBondContact O-N 3.02Å; A22-Q24 PolarHBondContact O-N 3.01Å
23	S	27.4	Very low	36.3	Very low	111 Å²	111	111.8 Å²	111.8	78%	0.776	70%	0.696	S	S	*	*			trans	-45.1	125.5	166.8	49.3	0	0	0	0	111.4
24	Q	29	Very low	39.1	Very low	182 Å²	182	108.7 Å²	108.7	85%	0.85	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.6	134.1	167.1	-68.7	-175.7	-11.4	0	0	109.4	A22 A26	A22-Q24 PolarHBondContact O-N 3.01Å; Q24-A26 PolarHBondContact O-N 3.31Å
25	P	29.1	Very low	41.8	Very low	125 Å²	125	97.4 Å²	97.4	81%	0.812	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-68.5	127.5	167.7	27.3	-29.2	0	0	0	108.7	K27	P25-K27 PolarHBondContact O-N 3.42Å
26	A	26.4	Very low	44.6	Very low	100 Å²	100	93.9 Å²	93.9	83%	0.826	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.7	132.4	179.3	0	0	0	0	0	111.5	Q24	Q24-A26 PolarHBondContact O-N 3.31Å
27	K	36.6	Very low	47	Very low	207 Å²	207	89.5 Å²	89.5	90%	0.9	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-77.6	122.3	168.8	-77.1	174.2	174.9	173.9	0	109.4	P25	P25-K27 PolarHBondContact O-N 3.42Å
28	S	31.6	Very low	48.8	Very low	88 Å²	88	89.9 Å²	89.9	62%	0.615	56%	0.558	S	S	*	*			trans	-134.9	111.5	150.9	53.8	0	0	0	0	107.6	D30	S28-D30 PolarHBondContact O-N 3.21Å
29	P	45.5	Very low	50.6	Low	95 Å²	95	88.1 Å²	88.1	62%	0.617	54%	0.537	S	S	*	.			trans	-86.9	95.2	176.6	32.4	-25.5	0	0	0	108.8	A31	P29-A31 VanDerWaalsContact C-N 3.34Å
30	D	51.3	Low	51.7	Low	77 Å²	77	82.5 Å²	82.5	41%	0.412	53%	0.525	S	S	.	.			trans	-80.3	-12.5	-176.1	-91.1	-9.9	0	0	0	114.1	S28 K358	S28-D30 PolarHBondContact O-N 3.21Å; D30-K358 PolarHBondContact O-NZ 2.68Å
31	A	54.8	Low	53.1	Low	10 Å²	10	78.8 Å²	78.8	8%	0.083	51%	0.513	C	S	.	.	S	Bend	trans	-110.9	121.1	172.1	0	0	0	0	0	111.2	P29 A50 E51	P29-A31 VanDerWaalsContact C-N 3.34Å; A31-A50 HydrophobicContact CB-CB 3.61Å; A31-E51 HydrophobicContact CB-CG 3.74Å
32	Q	71.9	Confident	54.3	Low	59 Å²	59	74.8 Å²	74.8	28%	0.276	48%	0.475	S	S	.	.			trans	-97.3	132.1	175.7	-68.4	170.4	-28.2	0	0	109.9	W34 E347 W373	Q32-W34 HydrophobicContact CB-CE3 4.36Å; Q32-W34 HydrophobicContact CB-CH2 3.27Å; Q32-W34 HydrophobicContact CB-CZ2 3.88Å; Q32-W34 HydrophobicContact CB-CZ3 3.45Å; Q32-W34 VanDerWaalsContact CB-CZ3 3.45Å; Q32-W34 HydrophobicContact CG-CH2 4.06Å; Q32-W34 HydrophobicContact CG-CZ2 4.4Å; Q32-W34 VanDerWaalsContact OE1-CH2 3.31Å; Q32-E347 PolarHBondContact NE2-OE1 3.12Å; Q32-W373 HydrophobicContact CB-CB 4.2Å; Q32-W373 PolarHBondContact O-N 2.79Å
33	L	78.3	Confident	55.8	Low	4 Å²	4	74.2 Å²	74.2	2%	0.021	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.1	-179.5	174.4	79.2	0	0	0	108.1	Y43 L46 L47 I370 L371 L372	L33-Y43 WeakPolarHBondContact O-CE2 3.44Å; L33-Y43 PolarHBondContact O-OH 3.35Å; L33-L46 HydrophobicContact CD2-CB 3.41Å; L33-L46 VanDerWaalsContact CD2-CB 3.41Å; L33-L46 HydrophobicContact CD2-CD1 4.46Å; L33-L46 HydrophobicContact CD2-CG 4.43Å; L33-L47 HydrophobicContact CB-CD1 4.13Å; L33-I370 HydrophobicContact CD1-CG2 3.57Å; L33-L371 WeakPolarHBondContact CA-O 3.49Å; L33-L372 HydrophobicContact CB-CD1 4.45Å; L33-L372 HydrophobicContact CD1-CB 4.36Å; L33-L372 HydrophobicContact CD1-CD1 3.9Å
34	W	82.9	Confident	57.3	Low	19 Å²	19	78 Å²	78	7%	0.072	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.2	169.9	-58	-91.6	0	0	0	109.8	Q32 F36 V343 I370 L371 W373	Q32-W34 HydrophobicContact CB-CE3 4.36Å; Q32-W34 HydrophobicContact CB-CH2 3.27Å; Q32-W34 HydrophobicContact CB-CZ2 3.88Å; Q32-W34 HydrophobicContact CB-CZ3 3.45Å; Q32-W34 VanDerWaalsContact CB-CZ3 3.45Å; Q32-W34 HydrophobicContact CG-CH2 4.06Å; Q32-W34 HydrophobicContact CG-CZ2 4.4Å; Q32-W34 VanDerWaalsContact OE1-CH2 3.31Å; W34-F36 HydrophobicContact CB-CE2 3.63Å; W34-F36 HydrophobicContact CB-CZ 3.73Å; W34-F36 HydrophobicContact CG-CZ 4.4Å; W34-V343 HydrophobicContact CD2-CG1 4.28Å; W34-V343 HydrophobicContact CG-CG1 4.49Å; W34-V343 HydrophobicContact CZ2-CG1 3.61Å; W34-I370 WeakPolarHBondContact O-CA 3.46Å; W34-L371 HydrophobicContact CB-CB 4.28Å; W34-L371 HydrophobicContact CE3-CB 4.05Å; W34-L371 PolarHBondContact N-O 3.09Å; W34-L371 PolarHBondContact O-N 3.46Å; W34-W373 AromaticContact CH2-CD1 3.78Å; W34-W373 HydrophobicContact CH2-CG 4.45Å; W34-W373 HydrophobicContact CZ3-CB 4.32Å; W34-W373 AromaticContact CZ3-CD1 3.36Å; W34-W373 HydrophobicContact CZ3-CG 4.1Å
35	L	82.9	Confident	58.7	Low	10 Å²	10	71.4 Å²	71.4	5%	0.052	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.8	-178.2	174.8	72.6	0	0	0	108.7	P37 S38 A39 F42 I370	L35-P37 WeakPolarHBondContact CG-O 3.38Å; L35-P37 CarbonylContact O-C 3.39Å; L35-P37 VanDerWaalsContact O-C 3.31Å; L35-S38 WeakPolarHBondContact O-CA 3.29Å; L35-S38 PolarHBondContact O-N 3.03Å; L35-A39 HydrophobicContact CD2-CB 4.1Å; L35-F42 HydrophobicContact CD1-CE1 4.48Å; L35-F42 HydrophobicContact CD2-CD1 3.42Å; L35-F42 VanDerWaalsContact CD2-CD1 3.42Å; L35-F42 HydrophobicContact CD2-CE1 3.81Å; L35-I370 HydrophobicContact CD1-CD1 3.9Å; L35-I370 HydrophobicContact CD1-CG1 3.5Å
36	F	85.2	Confident	60.4	Low	29 Å²	29	65.9 Å²	65.9	13%	0.127	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.7	-178.1	-55.3	-72.3	0	0	0	109.4	W34 V341 Q368 S369 L371	W34-F36 HydrophobicContact CB-CE2 3.63Å; W34-F36 HydrophobicContact CB-CZ 3.73Å; W34-F36 HydrophobicContact CG-CZ 4.4Å; F36-V341 HydrophobicContact CD2-CG1 4.48Å; F36-V341 HydrophobicContact CE1-CG1 4.47Å; F36-V341 HydrophobicContact CE2-CG1 3.76Å; F36-V341 HydrophobicContact CZ-CG1 3.74Å; F36-Q368 CarbonylContact O-C 3.49Å; F36-Q368 WeakPolarHBondContact O-CA 3.39Å; F36-S369 PolarHBondContact N-O 3.45Å; F36-S369 PolarHBondContact O-N 2.9Å; F36-L371 HydrophobicContact CE2-CD1 4.07Å; F36-L371 HydrophobicContact CE2-CG 4.29Å
37	P	77.4	Confident	62.1	Low	48 Å²	48	64.1 Å²	64.1	31%	0.312	37%	0.367	S	S	.	.	S	Bend	cis	-63	154	-6.6	18.3	-28.5	0	0	0	115.5	L35 A39 D324	L35-P37 WeakPolarHBondContact CG-O 3.38Å; L35-P37 CarbonylContact O-C 3.39Å; L35-P37 VanDerWaalsContact O-C 3.31Å; P37-A39 PolarHBondContact O-N 3.26Å; P37-D324 WeakPolarHBondContact CB-O 3.39Å; P37-D324 WeakPolarHBondContact CD-O 3.48Å; P37-D324 HydrophobicContact CG-CB 4.48Å; P37-D324 WeakPolarHBondContact CG-O 3.38Å
38	S	68.3	Low	63.2	Low	109 Å²	109	64.9 Å²	64.9	76%	0.762	36%	0.364	S	S	*	.			trans	-65.3	118.3	174.7	65.6	0	0	0	0	111.8	L35	L35-S38 WeakPolarHBondContact O-CA 3.29Å; L35-S38 PolarHBondContact O-N 3.03Å
39	A	64.8	Low	64.7	Low	36 Å²	36	64.1 Å²	64.1	30%	0.298	35%	0.348	S	S	.	.			trans	-115.5	95.8	172.5	0	0	0	0	0	110.5	L35 P37 G41 F42 Y43	L35-A39 HydrophobicContact CD2-CB 4.1Å; P37-A39 PolarHBondContact O-N 3.26Å; A39-G41 PolarHBondContact O-N 3.34Å; A39-F42 HydrophobicContact CB-CB 3.98Å; A39-F42 PolarHBondContact O-N 3.04Å; A39-Y43 WeakPolarHBondContact O-CB 3.46Å; A39-Y43 PolarHBondContact O-N 3.26Å
40	A	52.7	Low	65.5	Low	81 Å²	81	59.7 Å²	59.7	67%	0.669	32%	0.32	S	S	*	.	H	α-helix	trans	-56.2	-39	-166.7	0	0	0	0	0	115.7	F42 R44	A40-F42 VanDerWaalsContact C-N 3.34Å; A40-R44 PolarHBondContact O-N 2.79Å
41	G	56.6	Low	66.1	Low	59 Å²	59	60.8 Å²	60.8	61%	0.608	32%	0.322	S	S	*	.	H	α-helix	trans	-71.3	-30.3	178.1	0	0	0	0	0	113.5	A39	A39-G41 PolarHBondContact O-N 3.34Å
42	F	59.6	Low	66.8	Low	27 Å²	27	63.3 Å²	63.3	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-88.6	-36.4	-176.5	-176.8	-103.7	0	0	0	112	L35 A39 A40 R44 A45 L46 L63 H76 V78	L35-F42 HydrophobicContact CD1-CE1 4.48Å; L35-F42 HydrophobicContact CD2-CD1 3.42Å; L35-F42 VanDerWaalsContact CD2-CD1 3.42Å; L35-F42 HydrophobicContact CD2-CE1 3.81Å; A39-F42 HydrophobicContact CB-CB 3.98Å; A39-F42 PolarHBondContact O-N 3.04Å; A40-F42 VanDerWaalsContact C-N 3.34Å; F42-R44 VanDerWaalsContact C-N 3.31Å; F42-R44 PolarHBondContact O-N 2.98Å; F42-A45 WeakPolarHBondContact O-CB 3.47Å; F42-A45 PolarHBondContact O-N 2.98Å; F42-L46 HydrophobicContact CD1-CD1 3.43Å; F42-L46 VanDerWaalsContact CD1-CD1 3.43Å; F42-L46 HydrophobicContact CD2-CD1 4.49Å; F42-L46 HydrophobicContact CE1-CD1 3.13Å; F42-L46 HydrophobicContact CE1-CG 4.46Å; F42-L46 HydrophobicContact CE2-CD1 4.23Å; F42-L46 HydrophobicContact CG-CD1 4.16Å; F42-L46 HydrophobicContact CZ-CD1 3.62Å; F42-L46 PolarHBondContact O-N 3.43Å; F42-L63 HydrophobicContact CE1-CD2 3.77Å; F42-L63 HydrophobicContact CE2-CB 4.25Å; F42-L63 HydrophobicContact CE2-CD2 4.11Å; F42-L63 HydrophobicContact CZ-CB 3.59Å; F42-L63 HydrophobicContact CZ-CD1 4.46Å; F42-L63 HydrophobicContact CZ-CD2 3.19Å; F42-L63 HydrophobicContact CZ-CG 3.87Å; F42-H76 HydrophobicContact CE2-CB 3.65Å; F42-H76 AromaticContact CE2-CG 3.96Å; F42-V78 HydrophobicContact CE2-CG2 4.22Å; F42-V78 HydrophobicContact CZ-CG2 4.1Å
43	Y	60.6	Low	67	Low	82 Å²	82	60.8 Å²	60.8	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-51.1	-49.6	168.6	-172.7	-97	0	0	0	110.7	L33 A39 A45 L46 L47	L33-Y43 WeakPolarHBondContact O-CE2 3.44Å; L33-Y43 PolarHBondContact O-OH 3.35Å; A39-Y43 WeakPolarHBondContact O-CB 3.46Å; A39-Y43 PolarHBondContact O-N 3.26Å; Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 2.93Å; Y43-L46 PolarHBondContact O-N 2.99Å; Y43-L47 HydrophobicContact CD1-CD1 4.32Å; Y43-L47 HydrophobicContact CE1-CD1 3.59Å; Y43-L47 HydrophobicContact CE1-CD2 4.19Å; Y43-L47 HydrophobicContact CE1-CG 4.36Å; Y43-L47 HydrophobicContact CE2-CD1 4.09Å; Y43-L47 VanDerWaalsContact CZ-CD1 3.44Å; Y43-L47 WeakPolarHBondContact O-CB 3.46Å; Y43-L47 PolarHBondContact O-N 3.04Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.45Å
44	R	57.7	Low	66.9	Low	192 Å²	192	62.9 Å²	62.9	73%	0.725	33%	0.333	S	S	*	.	H	α-helix	trans	-62.1	-31.7	176.8	-75.1	-175.2	-173.3	173.4	3.7	114.2	A40 F42 R48	A40-R44 PolarHBondContact O-N 2.79Å; F42-R44 VanDerWaalsContact C-N 3.31Å; F42-R44 PolarHBondContact O-N 2.98Å; R44-R48 WeakPolarHBondContact O-CG 3.03Å
45	A	59.8	Low	67.1	Low	42 Å²	42	62.6 Å²	62.6	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-75.4	-39.6	-179.5	0	0	0	0	0	112.2	F42 Y43	F42-A45 WeakPolarHBondContact O-CB 3.47Å; F42-A45 PolarHBondContact O-N 2.98Å; Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 2.93Å
46	L	64.8	Low	67.2	Low	9 Å²	9	62.3 Å²	62.3	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-77.1	-40.1	175.6	-80.5	151.7	0	0	0	112.9	L33 F42 Y43 R48 R49 A50 I56 L63 V65	L33-L46 HydrophobicContact CD2-CB 3.41Å; L33-L46 VanDerWaalsContact CD2-CB 3.41Å; L33-L46 HydrophobicContact CD2-CD1 4.46Å; L33-L46 HydrophobicContact CD2-CG 4.43Å; F42-L46 HydrophobicContact CD1-CD1 3.43Å; F42-L46 VanDerWaalsContact CD1-CD1 3.43Å; F42-L46 HydrophobicContact CD2-CD1 4.49Å; F42-L46 HydrophobicContact CE1-CD1 3.13Å; F42-L46 HydrophobicContact CE1-CG 4.46Å; F42-L46 HydrophobicContact CE2-CD1 4.23Å; F42-L46 HydrophobicContact CG-CD1 4.16Å; F42-L46 HydrophobicContact CZ-CD1 3.62Å; F42-L46 PolarHBondContact O-N 3.43Å; Y43-L46 PolarHBondContact O-N 2.99Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3Å; L46-R49 CarbonylContact O-C 3.5Å; L46-R49 WeakPolarHBondContact O-CA 3.5Å; L46-R49 PolarHBondContact O-N 3.04Å; L46-A50 PolarHBondContact O-N 3.11Å; L46-I56 HydrophobicContact CD2-CD1 4.16Å; L46-L63 HydrophobicContact CD1-CD2 3.73Å; L46-L63 HydrophobicContact CD2-CD2 3.86Å; L46-L63 HydrophobicContact CG-CD2 4.3Å; L46-V65 HydrophobicContact CD2-CG2 3.67Å
47	L	60.6	Low	67.3	Low	63 Å²	63	61.4 Å²	61.4	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-38.4	-178.7	-152.3	90.9	0	0	0	111.9	L33 Y43 R49	L33-L47 HydrophobicContact CB-CD1 4.13Å; Y43-L47 HydrophobicContact CD1-CD1 4.32Å; Y43-L47 HydrophobicContact CE1-CD1 3.59Å; Y43-L47 HydrophobicContact CE1-CD2 4.19Å; Y43-L47 HydrophobicContact CE1-CG 4.36Å; Y43-L47 HydrophobicContact CE2-CD1 4.09Å; Y43-L47 VanDerWaalsContact CZ-CD1 3.44Å; Y43-L47 WeakPolarHBondContact O-CB 3.46Å; Y43-L47 PolarHBondContact O-N 3.04Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.45Å; L47-R49 PolarHBondContact O-N 3.14Å; L47-R49 VanDerWaalsContact O-N 3.09Å
48	R	60.3	Low	67.6	Low	223 Å²	223	59.9 Å²	59.9	84%	0.842	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.6	175	-76	-177.2	178.7	-173.6	-0.1	113.8	R44 L46	R44-R48 WeakPolarHBondContact O-CG 3.03Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 3Å
49	R	62.4	Low	68.3	Low	72 Å²	72	54.9 Å²	54.9	27%	0.272	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	4	-166.9	-51.9	-173.8	86	-164.2	5.6	113.5	L46 L47 E51 V52 T53 E67	L46-R49 CarbonylContact O-C 3.5Å; L46-R49 WeakPolarHBondContact O-CA 3.5Å; L46-R49 PolarHBondContact O-N 3.04Å; L47-R49 PolarHBondContact O-N 3.14Å; L47-R49 VanDerWaalsContact O-N 3.09Å; R49-E51 PolarHBondContact O-N 2.88Å; R49-V52 HydrophobicContact CB-CG2 3.88Å; R49-V52 CarbonylContact O-C 3.59Å; R49-V52 VanDerWaalsContact O-CG2 3.25Å; R49-V52 WeakPolarHBondContact O-CG2 3.2Å; R49-V52 PolarHBondContact O-N 2.66Å; R49-T53 PolarHBondContact O-N 2.91Å; R49-T53 VanDerWaalsContact O-N 3.17Å; R49-T53 PolarHBondContact O-OG1 2.88Å; R49-E67 IonicContact CZ-OE1 2.68Å; R49-E67 IonicContact NH1-OE1 3.37Å; R49-E67 PolarHBondContact NH1-OE1 3.28Å; R49-E67 IonicContact NH2-OE1 2.65Å; R49-E67 PolarHBondContact NH2-OE1 2.88Å; R49-E67 IonicContact NH2-OE2 3.14Å; R49-E67 PolarHBondContact NH2-OE2 3.34Å; R49-E67 VanDerWaalsContact NH2-OE2 3.14Å
50	A	63.5	Low	68.7	Low	2 Å²	2	55.5 Å²	55.5	2%	0.017	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.5	-37.4	179.3	0	0	0	0	0	111.7	A31 L46 V52 T53 L372	A31-A50 HydrophobicContact CB-CB 3.61Å; L46-A50 PolarHBondContact O-N 3.11Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 2.74Å; A50-T53 PolarHBondContact O-N 3.09Å; A50-L372 HydrophobicContact CB-CD1 4.04Å
51	E	63.6	Low	69.7	Low	100 Å²	100	60.5 Å²	60.5	47%	0.467	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-69.7	-22.1	177.2	-64.8	-176.9	-179	0	0	114.9	A31 R49	A31-E51 HydrophobicContact CB-CG 3.74Å; R49-E51 PolarHBondContact O-N 2.88Å
52	V	68.8	Low	70.9	Confident	63 Å²	63	60.6 Å²	60.6	38%	0.382	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-107.6	15.6	178.1	-61.8	0	0	0	0	111.9	R49 A50 E67 R68	R49-V52 HydrophobicContact CB-CG2 3.88Å; R49-V52 CarbonylContact O-C 3.59Å; R49-V52 VanDerWaalsContact O-CG2 3.25Å; R49-V52 WeakPolarHBondContact O-CG2 3.2Å; R49-V52 PolarHBondContact O-N 2.66Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 2.74Å; V52-E67 CarbonylContact O-C 3.59Å; V52-E67 WeakPolarHBondContact O-CA 3.35Å; V52-R68 HydrophobicContact CB-CB 4.37Å; V52-R68 WeakPolarHBondContact O-CB 3.26Å; V52-R68 PolarHBondContact O-N 3.23Å
53	T	75.4	Confident	72.2	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131	178.1	-62.3	0	0	0	0	110.3	R49 A50 I56 V65	R49-T53 PolarHBondContact O-N 2.91Å; R49-T53 VanDerWaalsContact O-N 3.17Å; R49-T53 PolarHBondContact O-OG1 2.88Å; A50-T53 PolarHBondContact O-N 3.09Å; T53-I56 HydrophobicContact CG2-CD1 3.9Å; T53-I56 HydrophobicContact CG2-CG1 3.49Å; T53-I56 VanDerWaalsContact CG2-CG1 3.49Å; T53-V65 HydrophobicContact CG2-CG1 3.87Å
54	R	77.6	Confident	73.4	Confident	48 Å²	48	55.4 Å²	55.4	18%	0.181	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-38.2	177.4	-173.2	-173.9	-177.1	164.7	9.9	112.4	L66 I99 H100 Y380 V381	R54-L66 HydrophobicContact CB-CD2 4.49Å; R54-L66 HydrophobicContact CB-CG 4.2Å; R54-L66 WeakPolarHBondContact CB-O 3.49Å; R54-L66 HydrophobicContact CG-CD2 4.45Å; R54-L66 PolarHBondContact N-O 3.14Å; R54-I99 PolarHBondContact NH1-O 3.13Å; R54-H100 PolarHBondContact NH2-ND1 3.03Å; R54-Y380 WeakPolarHBondContact O-CD2 3.48Å; R54-V381 HydrophobicContact CG-CG2 3.79Å; R54-V381 PolarHBondContact O-N 2.88Å
55	Q	86.3	Confident	74.8	Confident	13 Å²	13	46.4 Å²	46.4	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.7	178.3	-157.3	-174.8	-9.9	0	0	110	C57 L66 V102 Y380 V381	Q55-C57 PolarHBondContact NE2-SG 2.67Å; Q55-C57 VanDerWaalsContact NE2-SG 3.42Å; Q55-L66 HydrophobicContact CB-CB 3.99Å; Q55-L66 HydrophobicContact CB-CD2 4.18Å; Q55-L66 PolarHBondContact N-O 3.31Å; Q55-L66 PolarHBondContact O-N 2.79Å; Q55-V102 PolarHBondContact NE2-O 2.93Å; Q55-V102 PolarHBondContact OE1-O 3.35Å; Q55-Y380 HydrophobicContact CG-CE1 4.3Å; Q55-V381 HydrophobicContact CB-CG2 3.7Å; Q55-V381 HydrophobicContact CG-CB 4.46Å; Q55-V381 HydrophobicContact CG-CG2 4.02Å
56	I	86.1	Confident	76.1	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.9	168.6	-56.3	174.2	0	0	0	108.5	L46 T53 L63 A64 I363 I370 Y380	L46-I56 HydrophobicContact CD2-CD1 4.16Å; T53-I56 HydrophobicContact CG2-CD1 3.9Å; T53-I56 HydrophobicContact CG2-CG1 3.49Å; T53-I56 VanDerWaalsContact CG2-CG1 3.49Å; I56-L63 HydrophobicContact CG2-CD1 3.44Å; I56-L63 VanDerWaalsContact CG2-CD1 3.44Å; I56-L63 HydrophobicContact CG2-CD2 3.89Å; I56-L63 HydrophobicContact CG2-CG 3.8Å; I56-A64 WeakPolarHBondContact CA-O 3.44Å; I56-I363 HydrophobicContact CB-CD1 3.62Å; I56-I363 HydrophobicContact CG1-CD1 4.42Å; I56-I363 HydrophobicContact CG2-CD1 4.34Å; I56-I370 HydrophobicContact CG2-CD1 3.86Å; I56-Y380 PolarHBondContact N-OH 3.16Å; I56-Y380 VanDerWaalsContact N-OH 3.13Å; I56-Y380 PolarHBondContact O-OH 3.04Å
57	C	86.6	Confident	76.8	Confident	10 Å²	10	46.1 Å²	46.1	7%	0.068	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.4	172.6	-60.7	0	0	0	0	109.5	Q55 A64 V102 Q104	Q55-C57 PolarHBondContact NE2-SG 2.67Å; Q55-C57 VanDerWaalsContact NE2-SG 3.42Å; C57-A64 PolarHBondContact N-O 3.3Å; C57-A64 PolarHBondContact O-N 2.96Å; C57-V102 PolarHBondContact SG-O 2.9Å; C57-Q104 HydrophobicContact CB-CG 4.37Å
58	C	84.3	Confident	77.5	Confident	16 Å²	16	50 Å²	50	11%	0.108	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.5	-176.4	-49.5	0	0	0	0	109.6	L63 G365 I370	C58-L63 HydrophobicContact CB-CD1 4.18Å; C58-L63 WeakPolarHBondContact SG-CD1 3.18Å; C58-G365 WeakPolarHBondContact O-CA 3.27Å; C58-I370 WeakPolarHBondContact SG-CD1 3.17Å
59	S	82.6	Confident	78.2	Confident	5 Å²	5	41.4 Å²	41.4	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	169.2	169.5	67.4	0	0	0	0	109.1	R61 R62 Q104	S59-R61 PolarHBondContact O-N 3.09Å; S59-R62 PolarHBondContact N-O 3Å; S59-R62 PolarHBondContact O-N 3.35Å; S59-R62 WeakPolarHBondContact OG-CB 3.5Å; S59-Q104 PolarHBondContact OG-OE1 2.76Å
60	P	72.4	Confident	79.1	Confident	49 Å²	49	38 Å²	38	32%	0.318	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	114.7	178.4	-26.4	35.1	0	0	0	111.5	R62	P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 2.91Å
61	R	74.3	Confident	80	Confident	186 Å²	186	40.9 Å²	40.9	70%	0.702	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	17.3	178.8	-52	177	178.5	179.5	-1	115.2	S59 V78	S59-R61 PolarHBondContact O-N 3.09Å; R61-V78 WeakPolarHBondContact CB-O 3.47Å; R61-V78 PolarHBondContact O-N 3.01Å
62	R	82.6	Confident	81	Confident	60 Å²	60	36.3 Å²	36.3	23%	0.226	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	174.2	-52.2	179.7	-170	124.1	1.1	112.3	S59 P60 H76 A106	S59-R62 PolarHBondContact N-O 3Å; S59-R62 PolarHBondContact O-N 3.35Å; S59-R62 WeakPolarHBondContact OG-CB 3.5Å; P60-R62 VanDerWaalsContact C-N 3.25Å; P60-R62 PolarHBondContact O-N 2.91Å; R62-H76 VanDerWaalsContact CA-O 3.28Å; R62-H76 WeakPolarHBondContact CA-O 3.49Å; R62-A106 PolarHBondContact NH1-O 3.24Å
63	L	85.4	Confident	81.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.3	172.3	-167.5	83.2	0	0	0	109.8	F42 L46 I56 C58 V65 V75 H76 I370	F42-L63 HydrophobicContact CE1-CD2 3.77Å; F42-L63 HydrophobicContact CE2-CB 4.25Å; F42-L63 HydrophobicContact CE2-CD2 4.11Å; F42-L63 HydrophobicContact CZ-CB 3.59Å; F42-L63 HydrophobicContact CZ-CD1 4.46Å; F42-L63 HydrophobicContact CZ-CD2 3.19Å; F42-L63 HydrophobicContact CZ-CG 3.87Å; L46-L63 HydrophobicContact CD1-CD2 3.73Å; L46-L63 HydrophobicContact CD2-CD2 3.86Å; L46-L63 HydrophobicContact CG-CD2 4.3Å; I56-L63 HydrophobicContact CG2-CD1 3.44Å; I56-L63 VanDerWaalsContact CG2-CD1 3.44Å; I56-L63 HydrophobicContact CG2-CD2 3.89Å; I56-L63 HydrophobicContact CG2-CG 3.8Å; C58-L63 HydrophobicContact CB-CD1 4.18Å; C58-L63 WeakPolarHBondContact SG-CD1 3.18Å; L63-V65 HydrophobicContact CD2-CG2 3.64Å; L63-V65 HydrophobicContact CG-CG2 4.29Å; L63-V75 CarbonylContact O-C 3.12Å; L63-V75 WeakPolarHBondContact O-CA 3.49Å; L63-H76 HydrophobicContact CB-CB 4.39Å; L63-H76 PolarHBondContact N-O 3.39Å; L63-H76 PolarHBondContact O-N 3.07Å; L63-I370 HydrophobicContact CD1-CD1 3.75Å
64	A	87.1	Confident	82.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.4	161.6	0	0	0	0	0	110.6	I56 C57 V73 Q74 V102 Q104 M109	I56-A64 WeakPolarHBondContact CA-O 3.44Å; C57-A64 PolarHBondContact N-O 3.3Å; C57-A64 PolarHBondContact O-N 2.96Å; A64-V73 HydrophobicContact CB-CG1 3.66Å; A64-Q74 CarbonylContact C-O 3.25Å; A64-Q74 VanDerWaalsContact CA-O 3.3Å; A64-Q74 WeakPolarHBondContact CA-O 3.39Å; A64-V102 HydrophobicContact CB-CG2 4.37Å; A64-Q104 VanDerWaalsContact N-NE2 3.12Å; A64-M109 HydrophobicContact CB-SD 4.09Å
65	V	86.7	Confident	82.8	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.2	168.8	-173.7	0	0	0	0	108	L46 T53 L63 Q74	L46-V65 HydrophobicContact CD2-CG2 3.67Å; T53-V65 HydrophobicContact CG2-CG1 3.87Å; L63-V65 HydrophobicContact CD2-CG2 3.64Å; L63-V65 HydrophobicContact CG-CG2 4.29Å; V65-Q74 PolarHBondContact N-O 3.42Å; V65-Q74 PolarHBondContact O-N 2.99Å
66	L	86.4	Confident	82.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.2	171	174.6	59.6	0	0	0	108.9	R54 Q55 V73 I99 H100 V102 V381	R54-L66 HydrophobicContact CB-CD2 4.49Å; R54-L66 HydrophobicContact CB-CG 4.2Å; R54-L66 WeakPolarHBondContact CB-O 3.49Å; R54-L66 HydrophobicContact CG-CD2 4.45Å; R54-L66 PolarHBondContact N-O 3.14Å; Q55-L66 HydrophobicContact CB-CB 3.99Å; Q55-L66 HydrophobicContact CB-CD2 4.18Å; Q55-L66 PolarHBondContact N-O 3.31Å; Q55-L66 PolarHBondContact O-N 2.79Å; L66-V73 HydrophobicContact CB-CG2 4.4Å; L66-V73 HydrophobicContact CD1-CG2 3.78Å; L66-I99 HydrophobicContact CD1-CB 3.7Å; L66-I99 HydrophobicContact CD1-CG2 3.59Å; L66-I99 HydrophobicContact CD2-CG2 3.89Å; L66-I99 HydrophobicContact CG-CG2 4.4Å; L66-H100 WeakPolarHBondContact CD2-O 3.29Å; L66-V102 HydrophobicContact CB-CG2 4.44Å; L66-V381 HydrophobicContact CD2-CG2 4.44Å
67	E	80.8	Confident	81.9	Confident	44 Å²	44	37.6 Å²	37.6	21%	0.206	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	153.8	-179.3	-68.3	176.3	-145.7	0	0	112.9	R49 V52 G70 Q74	R49-E67 IonicContact CZ-OE1 2.68Å; R49-E67 IonicContact NH1-OE1 3.37Å; R49-E67 PolarHBondContact NH1-OE1 3.28Å; R49-E67 IonicContact NH2-OE1 2.65Å; R49-E67 PolarHBondContact NH2-OE1 2.88Å; R49-E67 IonicContact NH2-OE2 3.14Å; R49-E67 PolarHBondContact NH2-OE2 3.34Å; R49-E67 VanDerWaalsContact NH2-OE2 3.14Å; V52-E67 CarbonylContact O-C 3.59Å; V52-E67 WeakPolarHBondContact O-CA 3.35Å; E67-G70 PolarHBondContact O-N 3.23Å; E67-Q74 VanDerWaalsContact OE1-CD 3.26Å; E67-Q74 PolarHBondContact OE1-NE2 3.5Å
68	R	75.4	Confident	80.8	Confident	145 Å²	145	38.4 Å²	38.4	55%	0.547	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	136.8	173.8	-166.7	175.9	-176.5	-177.6	4.1	109.7	V52 G70 N378	V52-R68 HydrophobicContact CB-CB 4.37Å; V52-R68 WeakPolarHBondContact O-CB 3.26Å; V52-R68 PolarHBondContact O-N 3.23Å; R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3Å; R68-N378 PolarHBondContact NH1-OD1 3.45Å; R68-N378 VanDerWaalsContact NH1-OD1 3.08Å; R68-N378 PolarHBondContact NH2-OD1 2.67Å
69	G	74.9	Confident	79.4	Confident	43 Å²	43	42.1 Å²	42.1	44%	0.443	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-10.8	-172.8	0	0	0	0	0	114.9	A71 K98	G69-A71 PolarHBondContact O-N 2.99Å; G69-K98 WeakPolarHBondContact O-CD 3.43Å; G69-K98 WeakPolarHBondContact O-CG 3.45Å
70	G	80.8	Confident	77.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	72.2	22.9	170.1	0	0	0	0	0	114.9	E67 R68 G72 K98 I99	E67-G70 PolarHBondContact O-N 3.23Å; R68-G70 VanDerWaalsContact C-N 3.28Å; R68-G70 PolarHBondContact O-N 3Å; G70-G72 VanDerWaalsContact C-N 3.27Å; G70-G72 PolarHBondContact O-N 2.99Å; G70-K98 CarbonylContact O-C 3.55Å; G70-K98 WeakPolarHBondContact O-CA 3.37Å; G70-I99 WeakPolarHBondContact CA-O 3.5Å; G70-I99 PolarHBondContact O-N 3.12Å
71	A	82	Confident	76.3	Confident	62 Å²	62	48.4 Å²	48.4	51%	0.512	28%	0.279	S	S	.	.	S	Bend	trans	-72.1	-16.9	-174.4	0	0	0	0	0	114.5	G69 K92	G69-A71 PolarHBondContact O-N 2.99Å; A71-K92 WeakPolarHBondContact O-CG 3.46Å
72	G	85.6	Confident	74.6	Confident	4 Å²	4	43 Å²	43	4%	0.041	27%	0.269	C	S	.	.			trans	174.8	166.1	-179.9	0	0	0	0	0	112.5	G70 I91	G70-G72 VanDerWaalsContact C-N 3.27Å; G70-G72 PolarHBondContact O-N 2.99Å; G72-I91 CarbonylContact C-O 3.51Å; G72-I91 WeakPolarHBondContact CA-O 3.4Å
73	V	87.1	Confident	72.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.5	177	176.2	0	0	0	0	108.4	A64 L66 V75 C90 I91 I99 V102 M109	A64-V73 HydrophobicContact CB-CG1 3.66Å; L66-V73 HydrophobicContact CB-CG2 4.4Å; L66-V73 HydrophobicContact CD1-CG2 3.78Å; V73-V75 HydrophobicContact CG1-CG2 4.36Å; V73-C90 CarbonylContact O-C 3.58Å; V73-C90 WeakPolarHBondContact O-CA 3.43Å; V73-I91 PolarHBondContact N-O 3.45Å; V73-I91 PolarHBondContact O-N 2.95Å; V73-I99 HydrophobicContact CB-CD1 4.46Å; V73-I99 HydrophobicContact CG2-CD1 3.54Å; V73-I99 HydrophobicContact CG2-CG2 4.09Å; V73-V102 HydrophobicContact CB-CG1 4.49Å; V73-V102 HydrophobicContact CG1-CG1 4.33Å; V73-V102 HydrophobicContact CG2-CG1 3.43Å; V73-V102 VanDerWaalsContact CG2-CG1 3.43Å; V73-M109 HydrophobicContact CG1-CE 4.23Å; V73-M109 HydrophobicContact CG1-SD 4.04Å
74	Q	86.6	Confident	70.5	Confident	26 Å²	26	47 Å²	47	12%	0.121	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.4	174.4	-62	-157	1.1	0	0	110.4	A64 V65 E67 P88 K89	A64-Q74 CarbonylContact C-O 3.25Å; A64-Q74 VanDerWaalsContact CA-O 3.3Å; A64-Q74 WeakPolarHBondContact CA-O 3.39Å; V65-Q74 PolarHBondContact N-O 3.42Å; V65-Q74 PolarHBondContact O-N 2.99Å; E67-Q74 VanDerWaalsContact OE1-CD 3.26Å; E67-Q74 PolarHBondContact OE1-NE2 3.5Å; Q74-P88 HydrophobicContact CB-CB 4.43Å; Q74-K89 WeakPolarHBondContact CA-O 3.18Å
75	V	85	Confident	68.6	Low	17 Å²	17	51.3 Å²	51.3	10%	0.103	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.7	176.4	-175.2	0	0	0	0	109.1	L63 V73 P88 K89 I91 M109 Y123	L63-V75 CarbonylContact O-C 3.12Å; L63-V75 WeakPolarHBondContact O-CA 3.49Å; V73-V75 HydrophobicContact CG1-CG2 4.36Å; V75-P88 WeakPolarHBondContact O-CA 3.49Å; V75-K89 PolarHBondContact N-O 2.64Å; V75-K89 PolarHBondContact O-N 3.25Å; V75-I91 HydrophobicContact CG2-CD1 3.73Å; V75-M109 HydrophobicContact CG2-CE 4.12Å; V75-M109 HydrophobicContact CG2-SD 4.22Å; V75-Y123 HydrophobicContact CG1-CE1 4.07Å
76	H	81.2	Confident	67.2	Low	23 Å²	23	59.3 Å²	59.3	11%	0.106	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.6	176.3	-62.3	-105.2	0	0	0	110	F42 R62 L63	F42-H76 HydrophobicContact CE2-CB 3.65Å; F42-H76 AromaticContact CE2-CG 3.96Å; R62-H76 VanDerWaalsContact CA-O 3.28Å; R62-H76 WeakPolarHBondContact CA-O 3.49Å; L63-H76 HydrophobicContact CB-CB 4.39Å; L63-H76 PolarHBondContact N-O 3.39Å; L63-H76 PolarHBondContact O-N 3.07Å
77	Q	72.3	Confident	66.1	Low	96 Å²	96	65.9 Å²	65.9	45%	0.449	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120	175.3	-156.8	170.6	19.5	0	0	108.9	R86	Q77-R86 VanDerWaalsContact OE1-NH1 3.16Å
78	V	64.5	Low	65.6	Low	27 Å²	27	66.3 Å²	66.3	16%	0.164	44%	0.442	C	S	.	.			trans	-96.3	99.7	-178.6	-172.6	0	0	0	0	108.4	F42 R61	F42-V78 HydrophobicContact CE2-CG2 4.22Å; F42-V78 HydrophobicContact CZ-CG2 4.1Å; R61-V78 WeakPolarHBondContact CB-O 3.47Å; R61-V78 PolarHBondContact O-N 3.01Å
79	L	53.3	Low	65.8	Low	93 Å²	93	63.7 Å²	63.7	49%	0.487	43%	0.434	S	S	.	.			trans	-83.1	127.1	171.8	-77.1	161.8	0	0	0	109.2	G81	L79-G81 PolarHBondContact O-N 2.88Å
80	A	44.1	Very low	66.2	Low	96 Å²	96	64.6 Å²	64.6	79%	0.793	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	117.4	167.2	0	0	0	0	0	108.7
81	G	46.3	Very low	66.4	Low	90 Å²	90	65.1 Å²	65.1	93%	0.928	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	7.4	162.1	0	0	0	0	0	119.4	L79	L79-G81 PolarHBondContact O-N 2.88Å
82	S	38	Very low	66.6	Low	72 Å²	72	68.4 Å²	68.4	50%	0.503	44%	0.439	S	S	.	.			trans	-127	128.9	170.9	76.7	0	0	0	0	113	G84	S82-G84 PolarHBondContact O-N 3.28Å
83	G	39.8	Very low	66.3	Low	97 Å²	97	69.2 Å²	69.2	100%	1	44%	0.442	S	S	*	.	S	Bend	trans	-69.4	22.2	-176.3	0	0	0	0	0	116
84	G	43	Very low	65.8	Low	47 Å²	47	71.2 Å²	71.2	49%	0.485	46%	0.462	S	S	.	.			trans	-109.1	95.8	179	0	0	0	0	0	111.7	S82 R86	S82-G84 PolarHBondContact O-N 3.28Å; G84-R86 PolarHBondContact O-N 3.22Å
85	A	46.3	Very low	64.9	Low	92 Å²	92	80.3 Å²	80.3	76%	0.76	50%	0.502	S	S	*	.			trans	-67.4	113.4	168	0	0	0	0	0	109.3
86	R	57.8	Low	64.4	Low	172 Å²	172	87.2 Å²	87.2	65%	0.649	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.4	147	163.2	-81.8	-177.3	172.6	174.7	-3.4	109	Q77 G84	Q77-R86 VanDerWaalsContact OE1-NH1 3.16Å; G84-R86 PolarHBondContact O-N 3.22Å
87	T	62.4	Low	64.5	Low	137 Å²	137	88.7 Å²	88.7	84%	0.84	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.3	130.5	174.9	43.1	0	0	0	0	110
88	P	70.4	Confident	65.3	Low	54 Å²	54	90.1 Å²	90.1	35%	0.351	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-64.4	139.5	-179	24.4	-31.9	0	0	0	110.8	Q74 V75	Q74-P88 HydrophobicContact CB-CB 4.43Å; V75-P88 WeakPolarHBondContact O-CA 3.49Å
89	K	81	Confident	66.4	Low	89 Å²	89	88.9 Å²	88.9	39%	0.387	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.7	174.2	-172.5	173.8	-180	177.3	0	108.8	Q74 V75 Y121	Q74-K89 WeakPolarHBondContact CA-O 3.18Å; V75-K89 PolarHBondContact N-O 2.64Å; V75-K89 PolarHBondContact O-N 3.25Å; K89-Y121 WeakPolarHBondContact CE-OH 3.34Å; K89-Y121 PolarHBondContact NZ-OH 3.22Å
90	C	83.4	Confident	68	Low	62 Å²	62	85 Å²	85	42%	0.419	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.6	173.4	-173.4	0	0	0	0	110	V73	V73-C90 CarbonylContact O-C 3.58Å; V73-C90 WeakPolarHBondContact O-CA 3.43Å
91	I	85.1	Confident	70.2	Confident	11 Å²	11	80.6 Å²	80.6	6%	0.056	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130	176.3	-60.3	165.6	0	0	0	108	G72 V73 V75 M109 I111 Y121 L128	G72-I91 CarbonylContact C-O 3.51Å; G72-I91 WeakPolarHBondContact CA-O 3.4Å; V73-I91 PolarHBondContact N-O 3.45Å; V73-I91 PolarHBondContact O-N 2.95Å; V75-I91 HydrophobicContact CG2-CD1 3.73Å; I91-M109 HydrophobicContact CD1-CE 3.45Å; I91-M109 VanDerWaalsContact CD1-CE 3.45Å; I91-I111 HydrophobicContact CG2-CD1 3.75Å; I91-Y121 HydrophobicContact CD1-CD1 3.61Å; I91-Y121 HydrophobicContact CD1-CD2 3.82Å; I91-Y121 HydrophobicContact CD1-CE1 3.64Å; I91-Y121 HydrophobicContact CD1-CE2 3.84Å; I91-Y121 HydrophobicContact CD1-CG 3.71Å; I91-Y121 HydrophobicContact CG1-CD2 4.35Å; I91-Y121 HydrophobicContact CG1-CE2 4.18Å; I91-Y121 HydrophobicContact CG2-CD2 4.35Å; I91-L128 HydrophobicContact CG2-CD1 4.46Å
92	K	85.3	Confident	72.4	Confident	132 Å²	132	76.3 Å²	76.3	57%	0.574	44%	0.441	S	S	*	.			trans	-130.4	144.1	178.4	-58.4	-171.3	178	-178.3	0	109.3	A71	A71-K92 WeakPolarHBondContact O-CG 3.46Å
93	L	79.7	Confident	75	Confident	21 Å²	21	74.8 Å²	74.8	11%	0.11	43%	0.427	C	S	.	.	S	Bend	trans	-82.5	-15.7	-179.5	-62.9	-178.6	0	0	0	113.5	M97 I99 I111 F119 L128	L93-M97 HydrophobicContact CB-CB 3.85Å; L93-M97 HydrophobicContact CB-SD 4.37Å; L93-I99 HydrophobicContact CD1-CD1 4.43Å; L93-I99 HydrophobicContact CD1-CG1 3.6Å; L93-I99 HydrophobicContact CG-CD1 4.09Å; L93-I99 HydrophobicContact CG-CG1 3.78Å; L93-I111 HydrophobicContact CD1-CG2 4.02Å; L93-I111 HydrophobicContact CD2-CB 4.4Å; L93-I111 HydrophobicContact CD2-CD1 4.32Å; L93-I111 HydrophobicContact CD2-CG2 3.99Å; L93-I111 HydrophobicContact CG-CG2 4.21Å; L93-F119 HydrophobicContact CD1-CD2 3.71Å; L93-F119 HydrophobicContact CD1-CE2 3.74Å; L93-F119 HydrophobicContact CD2-CB 3.88Å; L93-F119 HydrophobicContact CD2-CD1 4.02Å; L93-F119 HydrophobicContact CD2-CD2 3.56Å; L93-F119 HydrophobicContact CD2-CE1 4.47Å; L93-F119 HydrophobicContact CD2-CE2 4.09Å; L93-F119 HydrophobicContact CD2-CG 3.54Å; L93-F119 HydrophobicContact CG-CD2 4.24Å; L93-F119 HydrophobicContact CG-CE2 4.4Å; L93-L128 HydrophobicContact CD2-CD1 4.27Å; L93-L128 HydrophobicContact CD2-CD2 3.61Å
94	G	76.6	Confident	77.4	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	38%	0.382	S	S	.	.			trans	151.3	175.7	-178	0	0	0	0	0	112.1	N96	G94-N96 VanDerWaalsContact C-N 3.27Å; G94-N96 PolarHBondContact O-N 3.05Å
95	K	68.3	Low	79.6	Confident	218 Å²	218	68.5 Å²	68.5	95%	0.948	36%	0.36	S	S	*	.	S	Bend	trans	-63.6	-26.3	-174.6	-76.2	-176.8	178.5	177.3	0	114.3
96	N	73.8	Confident	81.5	Confident	161 Å²	161	65.2 Å²	65.2	86%	0.861	33%	0.333	S	S	*	.	S	Bend	trans	-125	1.9	-174	-65.8	-8.2	0	0	0	114.7	G94	G94-N96 VanDerWaalsContact C-N 3.27Å; G94-N96 PolarHBondContact O-N 3.05Å
97	M	82.1	Confident	82.9	Confident	55 Å²	55	59.9 Å²	59.9	27%	0.271	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-94.1	129.2	-177.6	-68.5	-170.7	73.4	0	0	111.1	L93 F119	L93-M97 HydrophobicContact CB-CB 3.85Å; L93-M97 HydrophobicContact CB-SD 4.37Å; M97-F119 HydrophobicContact CE-CE2 3.75Å; M97-F119 HydrophobicContact CE-CZ 3.65Å; M97-F119 HydrophobicContact SD-CZ 4.16Å
98	K	89.2	Confident	84.3	Confident	126 Å²	126	53.7 Å²	53.7	55%	0.548	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-100.1	135	176.1	-67.8	-178.6	177.5	179.9	0	110.8	G69 G70 S113 S114	G69-K98 WeakPolarHBondContact O-CD 3.43Å; G69-K98 WeakPolarHBondContact O-CG 3.45Å; G70-K98 CarbonylContact O-C 3.55Å; G70-K98 WeakPolarHBondContact O-CA 3.37Å; K98-S113 CarbonylContact O-C 3.48Å; K98-S113 WeakPolarHBondContact O-CA 3.33Å; K98-S114 WeakPolarHBondContact CB-OG 3.43Å; K98-S114 WeakPolarHBondContact O-CB 3.25Å; K98-S114 PolarHBondContact O-N 3.49Å; K98-S114 PolarHBondContact O-OG 3.25Å
99	I	89	Confident	85.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.8	175.3	-60	170.2	0	0	0	109.5	R54 L66 G70 V73 L93 V102 I111	R54-I99 PolarHBondContact NH1-O 3.13Å; L66-I99 HydrophobicContact CD1-CB 3.7Å; L66-I99 HydrophobicContact CD1-CG2 3.59Å; L66-I99 HydrophobicContact CD2-CG2 3.89Å; L66-I99 HydrophobicContact CG-CG2 4.4Å; G70-I99 WeakPolarHBondContact CA-O 3.5Å; G70-I99 PolarHBondContact O-N 3.12Å; V73-I99 HydrophobicContact CB-CD1 4.46Å; V73-I99 HydrophobicContact CG2-CD1 3.54Å; V73-I99 HydrophobicContact CG2-CG2 4.09Å; L93-I99 HydrophobicContact CD1-CD1 4.43Å; L93-I99 HydrophobicContact CD1-CG1 3.6Å; L93-I99 HydrophobicContact CG-CD1 4.09Å; L93-I99 HydrophobicContact CG-CG1 3.78Å; I99-V102 HydrophobicContact CG2-CG1 4.03Å; I99-I111 HydrophobicContact CB-CG2 4.25Å; I99-I111 HydrophobicContact CD1-CG2 3.79Å; I99-I111 HydrophobicContact CG1-CG2 3.74Å; I99-I111 HydrophobicContact CG2-CG2 3.53Å
100	H	87.3	Confident	85.9	Confident	11 Å²	11	46.9 Å²	46.9	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-54.1	176.6	-176.7	58.8	0	0	0	111.8	R54 L66 L112 V381 R385	R54-H100 PolarHBondContact NH2-ND1 3.03Å; L66-H100 WeakPolarHBondContact CD2-O 3.29Å; H100-L112 WeakPolarHBondContact CA-O 3.47Å; H100-L112 WeakPolarHBondContact CB-O 3.48Å; H100-L112 PolarHBondContact N-O 2.91Å; H100-V381 WeakPolarHBondContact O-CG2 3.39Å; H100-R385 PolarHBondContact CD2-NH1 3Å; H100-R385 PolarHBondContact CE1-NE 2.96Å; H100-R385 PolarHBondContact CE1-NH2 3.15Å; H100-R385 PolarHBondContact ND1-NH2 3.09Å; H100-R385 VanDerWaalsContact NE2-CZ 3.3Å; H100-R385 PolarHBondContact NE2-NE 3.15Å; H100-R385 VanDerWaalsContact NE2-NE 3.16Å
101	S	90.2	Very high	86.3	Confident	4 Å²	4	44 Å²	44	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164.1	-177.9	66.3	0	0	0	0	111.6	L112	S101-L112 PolarHBondContact N-O 2.94Å; S101-L112 PolarHBondContact O-N 3.2Å; S101-L112 WeakPolarHBondContact OG-CB 3.44Å
102	V	92	Very high	86.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156	173.5	-66.9	0	0	0	0	110.6	Q55 C57 A64 L66 V73 I99 L110 I111	Q55-V102 PolarHBondContact NE2-O 2.93Å; Q55-V102 PolarHBondContact OE1-O 3.35Å; C57-V102 PolarHBondContact SG-O 2.9Å; A64-V102 HydrophobicContact CB-CG2 4.37Å; L66-V102 HydrophobicContact CB-CG2 4.44Å; V73-V102 HydrophobicContact CB-CG1 4.49Å; V73-V102 HydrophobicContact CG1-CG1 4.33Å; V73-V102 HydrophobicContact CG2-CG1 3.43Å; V73-V102 VanDerWaalsContact CG2-CG1 3.43Å; I99-V102 HydrophobicContact CG2-CG1 4.03Å; V102-L110 CarbonylContact C-O 3.5Å; V102-L110 WeakPolarHBondContact CA-O 3.46Å; V102-I111 HydrophobicContact CG1-CB 4.3Å; V102-I111 HydrophobicContact CG1-CG1 4.1Å; V102-I111 HydrophobicContact CG1-CG2 4.06Å
103	D	92.1	Very high	86.8	Confident	39 Å²	39	37.1 Å²	37.1	21%	0.209	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.3	164.1	-162.3	14.3	0	0	0	110.2	M109 L110 T143 C144	D103-M109 CarbonylContact O-C 3.58Å; D103-M109 WeakPolarHBondContact O-CA 3.23Å; D103-M109 VanDerWaalsContact O-CG 3.28Å; D103-M109 WeakPolarHBondContact O-CG 3.32Å; D103-L110 PolarHBondContact N-O 3.34Å; D103-L110 PolarHBondContact O-N 2.95Å; D103-T143 WeakPolarHBondContact OD2-CA 3.36Å; D103-T143 WeakPolarHBondContact OD2-CB 3.45Å; D103-T143 PolarHBondContact OD2-OG1 2.9Å; D103-C144 PolarHBondContact OD2-N 3.12Å
104	Q	90.1	Very high	87.2	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	-173.9	-68.2	-167.1	20.7	0	0	113.9	C57 S59 A64 M109 Y123 C144	C57-Q104 HydrophobicContact CB-CG 4.37Å; S59-Q104 PolarHBondContact OG-OE1 2.76Å; A64-Q104 VanDerWaalsContact N-NE2 3.12Å; Q104-M109 HydrophobicContact CG-CB 4.07Å; Q104-M109 HydrophobicContact CG-CG 3.75Å; Q104-M109 HydrophobicContact CG-SD 4.03Å; Q104-Y123 WeakPolarHBondContact CG-OH 3.26Å; Q104-Y123 PolarHBondContact NE2-OH 2.67Å; Q104-Y123 PolarHBondContact OE1-OH 3.06Å; Q104-C144 VanDerWaalsContact C-CB 3.42Å
105	G	89	Confident	87.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	20%	0.203	C	C	.	.			trans	-92	-166.8	163	0	0	0	0	0	112.6	H108 C144 G145	G105-H108 PolarHBondContact N-O 3.5Å; G105-C144 VanDerWaalsContact N-CB 3.28Å; G105-G145 WeakPolarHBondContact CA-O 3.45Å
106	A	87.9	Confident	88.5	Confident	23 Å²	23	29.8 Å²	29.8	19%	0.19	16%	0.159	C	C	.	.	S	Bend	trans	-74.9	-36.5	178.4	0	0	0	0	0	112.2	R62 D146 Y147	R62-A106 PolarHBondContact NH1-O 3.24Å; A106-D146 HydrophobicContact CB-CB 3.94Å; A106-D146 VanDerWaalsContact CB-O 3.29Å; A106-D146 WeakPolarHBondContact CB-O 3.36Å; A106-D146 PolarHBondContact N-O 3.37Å; A106-Y147 HydrophobicContact CB-CE1 4.16Å
107	D	87	Confident	89.3	Confident	60 Å²	60	25.6 Å²	25.6	32%	0.321	13%	0.133	S	C	.	.	S	Bend	trans	-117.3	-13.1	-174.3	68.2	-15.3	0	0	0	115.1	Y123 Y147	D107-Y123 WeakPolarHBondContact O-CB 3.15Å; D107-Y123 WeakPolarHBondContact O-CD2 3.49Å; D107-Y123 PolarHBondContact O-N 2.88Å; D107-Y147 HydrophobicContact CB-CD1 4.3Å; D107-Y147 HydrophobicContact CB-CE1 4.26Å; D107-Y147 WeakPolarHBondContact OD2-CD1 3.44Å
108	H	91.1	Very high	89.7	Confident	7 Å²	7	23 Å²	23	3%	0.032	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	167.9	179.9	68.6	-71.8	0	0	0	113.3	G105 E120 Y121 Y123 C144 H148 S149	G105-H108 PolarHBondContact N-O 3.5Å; H108-E120 HydrophobicContact CB-CG 4.21Å; H108-E120 IonicContact CD2-OE1 3.91Å; H108-E120 IonicContact CG-OE1 3.14Å; H108-Y121 CarbonylContact C-O 3.55Å; H108-Y121 WeakPolarHBondContact CA-O 3.49Å; H108-Y123 WeakPolarHBondContact O-CE2 3.32Å; H108-C144 PolarHBondContact NE2-SG 3.17Å; H108-H148 PolarHBondContact NE2-O 3.19Å; H108-S149 PolarHBondContact CD2-OG 3.48Å; H108-S149 VanDerWaalsContact CD2-OG 3.25Å; H108-S149 PolarHBondContact NE2-OG 2.95Å
109	M	91.8	Very high	89.7	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.7	172.2	177.3	177.5	66.5	0	0	110	A64 V73 V75 I91 D103 Q104 I111 Y121 Y123	A64-M109 HydrophobicContact CB-SD 4.09Å; V73-M109 HydrophobicContact CG1-CE 4.23Å; V73-M109 HydrophobicContact CG1-SD 4.04Å; V75-M109 HydrophobicContact CG2-CE 4.12Å; V75-M109 HydrophobicContact CG2-SD 4.22Å; I91-M109 HydrophobicContact CD1-CE 3.45Å; I91-M109 VanDerWaalsContact CD1-CE 3.45Å; D103-M109 CarbonylContact O-C 3.58Å; D103-M109 WeakPolarHBondContact O-CA 3.23Å; D103-M109 VanDerWaalsContact O-CG 3.28Å; D103-M109 WeakPolarHBondContact O-CG 3.32Å; Q104-M109 HydrophobicContact CG-CB 4.07Å; Q104-M109 HydrophobicContact CG-CG 3.75Å; Q104-M109 HydrophobicContact CG-SD 4.03Å; M109-I111 HydrophobicContact CE-CD1 3.66Å; M109-I111 HydrophobicContact CE-CG1 3.83Å; M109-I111 HydrophobicContact CG-CG1 4.36Å; M109-Y121 HydrophobicContact CE-CD1 4.24Å; M109-Y121 HydrophobicContact CE-CG 4.34Å; M109-Y121 PolarHBondContact N-O 3.44Å; M109-Y121 PolarHBondContact O-N 2.98Å; M109-Y123 HydrophobicContact CB-CE2 4.24Å
110	L	92.7	Very high	89.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.5	170.2	-67.2	-177.6	0	0	0	110.8	V102 D103 F119 E120 I142 C144 S149 W161	V102-L110 CarbonylContact C-O 3.5Å; V102-L110 WeakPolarHBondContact CA-O 3.46Å; D103-L110 PolarHBondContact N-O 3.34Å; D103-L110 PolarHBondContact O-N 2.95Å; L110-F119 CarbonylContact C-O 3.52Å; L110-F119 WeakPolarHBondContact CA-O 3.27Å; L110-E120 HydrophobicContact CD2-CB 4.05Å; L110-E120 HydrophobicContact CD2-CG 4.07Å; L110-I142 HydrophobicContact CB-CB 4.31Å; L110-I142 HydrophobicContact CB-CD1 3.68Å; L110-I142 HydrophobicContact CD1-CB 4.03Å; L110-I142 HydrophobicContact CD1-CG2 4.41Å; L110-C144 WeakPolarHBondContact CG-SG 3.48Å; L110-S149 WeakPolarHBondContact CD1-OG 3.36Å; L110-S149 WeakPolarHBondContact CD2-OG 3.46Å; L110-S149 WeakPolarHBondContact CG-OG 3.41Å; L110-W161 HydrophobicContact CD1-CH2 4.35Å; L110-W161 HydrophobicContact CD1-CZ2 4.33Å; L110-W161 HydrophobicContact CD2-CH2 4.3Å; L110-W161 HydrophobicContact CD2-CZ2 3.61Å
111	I	92.2	Very high	89.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.9	177.9	-49.8	179.1	0	0	0	108.3	I91 L93 I99 V102 M109 P118 F119 L128	I91-I111 HydrophobicContact CG2-CD1 3.75Å; L93-I111 HydrophobicContact CD1-CG2 4.02Å; L93-I111 HydrophobicContact CD2-CB 4.4Å; L93-I111 HydrophobicContact CD2-CD1 4.32Å; L93-I111 HydrophobicContact CD2-CG2 3.99Å; L93-I111 HydrophobicContact CG-CG2 4.21Å; I99-I111 HydrophobicContact CB-CG2 4.25Å; I99-I111 HydrophobicContact CD1-CG2 3.79Å; I99-I111 HydrophobicContact CG1-CG2 3.74Å; I99-I111 HydrophobicContact CG2-CG2 3.53Å; V102-I111 HydrophobicContact CG1-CB 4.3Å; V102-I111 HydrophobicContact CG1-CG1 4.1Å; V102-I111 HydrophobicContact CG1-CG2 4.06Å; M109-I111 HydrophobicContact CE-CD1 3.66Å; M109-I111 HydrophobicContact CE-CG1 3.83Å; M109-I111 HydrophobicContact CG-CG1 4.36Å; I111-P118 CarbonylContact O-C 3.57Å; I111-P118 WeakPolarHBondContact O-CA 3.35Å; I111-F119 HydrophobicContact CB-CB 4.32Å; I111-F119 PolarHBondContact N-O 2.99Å; I111-F119 PolarHBondContact O-N 2.89Å; I111-L128 HydrophobicContact CD1-CD1 3.91Å
112	L	91.3	Very high	89.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	175.5	-179	58.9	0	0	0	109.9	H100 S101 I139 I142	H100-L112 WeakPolarHBondContact CA-O 3.47Å; H100-L112 WeakPolarHBondContact CB-O 3.48Å; H100-L112 PolarHBondContact N-O 2.91Å; S101-L112 PolarHBondContact N-O 2.94Å; S101-L112 PolarHBondContact O-N 3.2Å; S101-L112 WeakPolarHBondContact OG-CB 3.44Å; L112-I139 HydrophobicContact CD1-CB 3.75Å; L112-I139 HydrophobicContact CD1-CG2 3.82Å; L112-I139 HydrophobicContact CD2-CG2 4.32Å; L112-I142 HydrophobicContact CB-CD1 3.72Å; L112-I142 HydrophobicContact CB-CG1 4.06Å; L112-I142 HydrophobicContact CB-CG2 4.35Å
113	S	90.1	Very high	89.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	164	174.5	70.7	0	0	0	0	112.7	K98 D115 G116 K117	K98-S113 CarbonylContact O-C 3.48Å; K98-S113 WeakPolarHBondContact O-CA 3.33Å; S113-D115 VanDerWaalsContact C-N 3.29Å; S113-D115 WeakPolarHBondContact CB-OD1 3.47Å; S113-D115 PolarHBondContact O-N 2.78Å; S113-D115 PolarHBondContact OG-OD1 3.28Å; S113-G116 PolarHBondContact O-N 3.46Å; S113-K117 PolarHBondContact N-O 3.45Å; S113-K117 WeakPolarHBondContact OG-CA 3.32Å; S113-K117 WeakPolarHBondContact OG-CB 3.28Å; S113-K117 PolarHBondContact OG-N 2.92Å; S113-K117 PolarHBondContact OG-O 2.94Å; S113-K117 VanDerWaalsContact OG-O 3.08Å
114	S	86.9	Confident	88.6	Confident	45 Å²	45	25.2 Å²	25.2	32%	0.315	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.8	-178.4	-60.3	0	0	0	0	113.7	K98 G116	K98-S114 WeakPolarHBondContact CB-OG 3.43Å; K98-S114 WeakPolarHBondContact O-CB 3.25Å; K98-S114 PolarHBondContact O-N 3.49Å; K98-S114 PolarHBondContact O-OG 3.25Å; S114-G116 VanDerWaalsContact C-N 3.29Å
115	D	85.7	Confident	87.7	Confident	80 Å²	80	30.8 Å²	30.8	43%	0.428	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.4	171	59.7	-35.9	0	0	0	113.4	S113 K117	S113-D115 VanDerWaalsContact C-N 3.29Å; S113-D115 WeakPolarHBondContact CB-OD1 3.47Å; S113-D115 PolarHBondContact O-N 2.78Å; S113-D115 PolarHBondContact OG-OD1 3.28Å; D115-K117 WeakPolarHBondContact OD2-CD 3.26Å; D115-K117 WeakPolarHBondContact OD2-CE 3.44Å
116	G	87.9	Confident	86.9	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	94.2	25.3	173.6	0	0	0	0	0	114.8	S113 S114 I139	S113-G116 PolarHBondContact O-N 3.46Å; S114-G116 VanDerWaalsContact C-N 3.29Å; G116-I139 WeakPolarHBondContact CA-O 3.47Å; G116-I139 WeakPolarHBondContact O-CB 3.2Å; G116-I139 PolarHBondContact O-N 3.32Å
117	K	89.8	Confident	86.2	Confident	73 Å²	73	41.3 Å²	41.3	32%	0.317	21%	0.211	S	C	.	.			trans	-98.7	128.4	176.3	-60.3	-176.4	179	-174	0	110.6	S113 D115 F119	S113-K117 PolarHBondContact N-O 3.45Å; S113-K117 WeakPolarHBondContact OG-CA 3.32Å; S113-K117 WeakPolarHBondContact OG-CB 3.28Å; S113-K117 PolarHBondContact OG-N 2.92Å; S113-K117 PolarHBondContact OG-O 2.94Å; S113-K117 VanDerWaalsContact OG-O 3.08Å; D115-K117 WeakPolarHBondContact OD2-CD 3.26Å; D115-K117 WeakPolarHBondContact OD2-CE 3.44Å; K117-F119 HydrophobicContact CB-CE2 3.96Å; K117-F119 HydrophobicContact CB-CZ 4.44Å; K117-F119 WeakPolarHBondContact O-CD2 3.5Å
118	P	90.6	Very high	85.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	148.7	176.6	34.7	-34	0	0	0	111.6	I111 L134 I139	I111-P118 CarbonylContact O-C 3.57Å; I111-P118 WeakPolarHBondContact O-CA 3.35Å; P118-L134 HydrophobicContact CB-CD1 4.44Å; P118-L134 HydrophobicContact CG-CB 3.44Å; P118-L134 VanDerWaalsContact CG-CB 3.44Å; P118-L134 HydrophobicContact CG-CD1 3.63Å; P118-L134 HydrophobicContact CG-CG 4.17Å; P118-I139 HydrophobicContact CG-CG1 3.91Å
119	F	89.6	Confident	85.1	Confident	21 Å²	21	46.5 Å²	46.5	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.9	173.1	-61.4	-97.6	0	0	0	108.8	L93 M97 L110 I111 K117 L128 R129	L93-F119 HydrophobicContact CD1-CD2 3.71Å; L93-F119 HydrophobicContact CD1-CE2 3.74Å; L93-F119 HydrophobicContact CD2-CB 3.88Å; L93-F119 HydrophobicContact CD2-CD1 4.02Å; L93-F119 HydrophobicContact CD2-CD2 3.56Å; L93-F119 HydrophobicContact CD2-CE1 4.47Å; L93-F119 HydrophobicContact CD2-CE2 4.09Å; L93-F119 HydrophobicContact CD2-CG 3.54Å; L93-F119 HydrophobicContact CG-CD2 4.24Å; L93-F119 HydrophobicContact CG-CE2 4.4Å; M97-F119 HydrophobicContact CE-CE2 3.75Å; M97-F119 HydrophobicContact CE-CZ 3.65Å; M97-F119 HydrophobicContact SD-CZ 4.16Å; L110-F119 CarbonylContact C-O 3.52Å; L110-F119 WeakPolarHBondContact CA-O 3.27Å; I111-F119 HydrophobicContact CB-CB 4.32Å; I111-F119 PolarHBondContact N-O 2.99Å; I111-F119 PolarHBondContact O-N 2.89Å; K117-F119 HydrophobicContact CB-CE2 3.96Å; K117-F119 HydrophobicContact CB-CZ 4.44Å; K117-F119 WeakPolarHBondContact O-CD2 3.5Å; F119-L128 HydrophobicContact CB-CD1 3.83Å; F119-L128 HydrophobicContact CB-CG 4.24Å; F119-L128 HydrophobicContact CD1-CD2 4.17Å; F119-L128 HydrophobicContact CD1-CG 4.34Å; F119-R129 WeakPolarHBondContact CA-O 3.42Å
120	E	90	Very high	84.1	Confident	36 Å²	36	48.5 Å²	48.5	17%	0.168	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.5	176.8	-171.8	176.5	163.3	0	0	109.8	H108 L110 L128 R129 W161	H108-E120 HydrophobicContact CB-CG 4.21Å; H108-E120 IonicContact CD2-OE1 3.91Å; H108-E120 IonicContact CG-OE1 3.14Å; L110-E120 HydrophobicContact CD2-CB 4.05Å; L110-E120 HydrophobicContact CD2-CG 4.07Å; E120-L128 CarbonylContact O-C 3.3Å; E120-L128 WeakPolarHBondContact O-CA 3.48Å; E120-R129 PolarHBondContact N-O 3.17Å; E120-R129 PolarHBondContact O-N 2.68Å; E120-W161 PolarHBondContact OE2-NE1 3.23Å
121	Y	89.1	Confident	83.1	Confident	12 Å²	12	49.7 Å²	49.7	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.4	176	-179.9	-92.1	0	0	0	109.7	K89 I91 H108 M109 Y123 K126 L128	K89-Y121 WeakPolarHBondContact CE-OH 3.34Å; K89-Y121 PolarHBondContact NZ-OH 3.22Å; I91-Y121 HydrophobicContact CD1-CD1 3.61Å; I91-Y121 HydrophobicContact CD1-CD2 3.82Å; I91-Y121 HydrophobicContact CD1-CE1 3.64Å; I91-Y121 HydrophobicContact CD1-CE2 3.84Å; I91-Y121 HydrophobicContact CD1-CG 3.71Å; I91-Y121 HydrophobicContact CG1-CD2 4.35Å; I91-Y121 HydrophobicContact CG1-CE2 4.18Å; I91-Y121 HydrophobicContact CG2-CD2 4.35Å; H108-Y121 CarbonylContact C-O 3.55Å; H108-Y121 WeakPolarHBondContact CA-O 3.49Å; M109-Y121 HydrophobicContact CE-CD1 4.24Å; M109-Y121 HydrophobicContact CE-CG 4.34Å; M109-Y121 PolarHBondContact N-O 3.44Å; M109-Y121 PolarHBondContact O-N 2.98Å; Y121-Y123 HydrophobicContact CD1-CD1 4Å; Y121-Y123 AromaticContact CD1-CE1 3.96Å; Y121-Y123 HydrophobicContact CD1-CE1 3.96Å; Y121-Y123 AromaticContact CE1-CD1 3.63Å; Y121-Y123 HydrophobicContact CE1-CD1 3.63Å; Y121-Y123 AromaticContact CE1-CE1 3.87Å; Y121-Y123 HydrophobicContact CE1-CE1 3.87Å; Y121-K126 WeakPolarHBondContact OH-CA 3.44Å; Y121-L128 HydrophobicContact CD2-CB 4.37Å; Y121-L128 HydrophobicContact CD2-CD1 4.35Å
122	D	85.4	Confident	81.8	Confident	37 Å²	37	53.8 Å²	53.8	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	124.7	177	178.7	-31.8	0	0	0	109.8	S124 M125 K126 H127	D122-S124 WeakPolarHBondContact OD1-CA 3.41Å; D122-S124 VanDerWaalsContact OD1-CB 3.26Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.24Å; D122-M125 HydrophobicContact CB-CB 4.21Å; D122-M125 PolarHBondContact OD1-N 2.89Å; D122-M125 WeakPolarHBondContact OD2-CG 3.43Å; D122-K126 VanDerWaalsContact O-CA 3.23Å; D122-K126 WeakPolarHBondContact O-CA 3.37Å; D122-K126 PolarHBondContact O-N 3.03Å; D122-H127 PolarHBondContact N-O 3.48Å
123	Y	83.8	Confident	81	Confident	25 Å²	25	57.6 Å²	57.6	10%	0.098	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.7	-178.9	-70.6	-62.1	0	0	0	113.8	V75 Q104 D107 H108 M109 Y121	V75-Y123 HydrophobicContact CG1-CE1 4.07Å; Q104-Y123 WeakPolarHBondContact CG-OH 3.26Å; Q104-Y123 PolarHBondContact NE2-OH 2.67Å; Q104-Y123 PolarHBondContact OE1-OH 3.06Å; D107-Y123 WeakPolarHBondContact O-CB 3.15Å; D107-Y123 WeakPolarHBondContact O-CD2 3.49Å; D107-Y123 PolarHBondContact O-N 2.88Å; H108-Y123 WeakPolarHBondContact O-CE2 3.32Å; M109-Y123 HydrophobicContact CB-CE2 4.24Å; Y121-Y123 HydrophobicContact CD1-CD1 4Å; Y121-Y123 AromaticContact CD1-CE1 3.96Å; Y121-Y123 HydrophobicContact CD1-CE1 3.96Å; Y121-Y123 AromaticContact CE1-CD1 3.63Å; Y121-Y123 HydrophobicContact CE1-CD1 3.63Å; Y121-Y123 AromaticContact CE1-CE1 3.87Å; Y121-Y123 HydrophobicContact CE1-CE1 3.87Å
124	S	78.1	Confident	80.7	Confident	95 Å²	95	57.6 Å²	57.6	66%	0.664	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-49.1	179.8	-57.5	0	0	0	0	110.7	D122	D122-S124 WeakPolarHBondContact OD1-CA 3.41Å; D122-S124 VanDerWaalsContact OD1-CB 3.26Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.24Å
125	M	70.8	Confident	80	Confident	129 Å²	129	59.7 Å²	59.7	64%	0.635	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.6	-179.1	-62.3	-64.6	161.9	0	0	113	D122 H127	D122-M125 HydrophobicContact CB-CB 4.21Å; D122-M125 PolarHBondContact OD1-N 2.89Å; D122-M125 WeakPolarHBondContact OD2-CG 3.43Å; M125-H127 HydrophobicContact CB-CB 4.34Å; M125-H127 PolarHBondContact O-N 2.79Å; M125-H127 VanDerWaalsContact O-N 3.14Å
126	K	72.6	Confident	79.8	Confident	143 Å²	143	64.4 Å²	64.4	62%	0.622	32%	0.321	S	S	*	.			trans	53.7	29	-177.2	-63.2	179.1	-175.4	169.6	0	113.6	Y121 D122	Y121-K126 WeakPolarHBondContact OH-CA 3.44Å; D122-K126 VanDerWaalsContact O-CA 3.23Å; D122-K126 WeakPolarHBondContact O-CA 3.37Å; D122-K126 PolarHBondContact O-N 3.03Å
127	H	73.8	Confident	79.8	Confident	103 Å²	103	66.9 Å²	66.9	48%	0.477	33%	0.331	S	S	.	.			trans	-114.1	138.5	-174.2	-175.2	-80	0	0	0	110.2	D122 M125 R129	D122-H127 PolarHBondContact N-O 3.48Å; M125-H127 HydrophobicContact CB-CB 4.34Å; M125-H127 PolarHBondContact O-N 2.79Å; M125-H127 VanDerWaalsContact O-N 3.14Å; H127-R129 WeakPolarHBondContact ND1-CG 3.25Å
128	L	76.1	Confident	79.8	Confident	48 Å²	48	68.1 Å²	68.1	25%	0.251	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	111.5	172.4	-173.3	75.3	0	0	0	108.5	I91 L93 I111 F119 E120 Y121	I91-L128 HydrophobicContact CG2-CD1 4.46Å; L93-L128 HydrophobicContact CD2-CD1 4.27Å; L93-L128 HydrophobicContact CD2-CD2 3.61Å; I111-L128 HydrophobicContact CD1-CD1 3.91Å; F119-L128 HydrophobicContact CB-CD1 3.83Å; F119-L128 HydrophobicContact CB-CG 4.24Å; F119-L128 HydrophobicContact CD1-CD2 4.17Å; F119-L128 HydrophobicContact CD1-CG 4.34Å; E120-L128 CarbonylContact O-C 3.3Å; E120-L128 WeakPolarHBondContact O-CA 3.48Å; Y121-L128 HydrophobicContact CD2-CB 4.37Å; Y121-L128 HydrophobicContact CD2-CD1 4.35Å
129	R	78.8	Confident	79.9	Confident	128 Å²	128	68.1 Å²	68.1	48%	0.483	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.6	174.1	-64.6	-175.9	179.2	169.4	1.7	109.3	F119 E120 H127	F119-R129 WeakPolarHBondContact CA-O 3.42Å; E120-R129 PolarHBondContact N-O 3.17Å; E120-R129 PolarHBondContact O-N 2.68Å; H127-R129 WeakPolarHBondContact ND1-CG 3.25Å
130	S	71.6	Confident	80	Confident	41 Å²	41	67.7 Å²	67.7	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	169.9	-168.6	0	0	0	0	107.8	S132 Q135	S130-S132 PolarHBondContact O-N 3.49Å; S130-Q135 PolarHBondContact OG-NE2 3.43Å
131	E	70.8	Confident	80.2	Confident	26 Å²	26	66.8 Å²	66.8	12%	0.121	33%	0.331	C	S	.	.			trans	-78.1	104.8	-178.7	-66.4	-50.1	126.1	0	0	109.7	I133 L134 Q135 W161 P181	E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 2.97Å; E131-L134 HydrophobicContact CB-CB 4.19Å; E131-L134 HydrophobicContact CB-CD1 4Å; E131-L134 HydrophobicContact CB-CG 4.15Å; E131-L134 HydrophobicContact CG-CD1 4.44Å; E131-L134 PolarHBondContact O-N 3.21Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 2.89Å; E131-W161 HydrophobicContact CG-CZ2 4.43Å; E131-P181 HydrophobicContact CB-CG 4.01Å; E131-P181 HydrophobicContact CG-CG 3.98Å; E131-P181 WeakPolarHBondContact OE2-CD 3.33Å
132	S	65.3	Low	80.4	Confident	86 Å²	86	67 Å²	67	60%	0.601	33%	0.333	S	S	*	.	H	α-helix	trans	-55.9	-41.3	-172	53.7	0	0	0	0	112.8	S130 L134 Q135	S130-S132 PolarHBondContact O-N 3.49Å; S132-L134 VanDerWaalsContact C-N 3.31Å; S132-L134 PolarHBondContact O-N 3.04Å; S132-Q135 WeakPolarHBondContact O-CB 3.47Å; S132-Q135 PolarHBondContact O-N 3.37Å; S132-Q135 VanDerWaalsContact O-N 3.16Å
133	I	75.1	Confident	80.9	Confident	80 Å²	80	65.8 Å²	65.8	41%	0.41	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-35.6	179.8	-62	174.3	0	0	0	111.7	E131 Q135 T180	E131-I133 VanDerWaalsContact C-N 3.29Å; E131-I133 PolarHBondContact O-N 2.97Å; I133-Q135 VanDerWaalsContact C-N 3.32Å; I133-T180 HydrophobicContact CD1-CG2 3.27Å
134	L	81.9	Confident	81.3	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-81.2	-11.2	179.1	-60.1	178.5	0	0	0	112.7	P118 E131 S132 E136 K137 I139 A151 F159 W161 P181	P118-L134 HydrophobicContact CB-CD1 4.44Å; P118-L134 HydrophobicContact CG-CB 3.44Å; P118-L134 VanDerWaalsContact CG-CB 3.44Å; P118-L134 HydrophobicContact CG-CD1 3.63Å; P118-L134 HydrophobicContact CG-CG 4.17Å; E131-L134 HydrophobicContact CB-CB 4.19Å; E131-L134 HydrophobicContact CB-CD1 4Å; E131-L134 HydrophobicContact CB-CG 4.15Å; E131-L134 HydrophobicContact CG-CD1 4.44Å; E131-L134 PolarHBondContact O-N 3.21Å; S132-L134 VanDerWaalsContact C-N 3.31Å; S132-L134 PolarHBondContact O-N 3.04Å; L134-E136 VanDerWaalsContact C-N 3.29Å; L134-E136 PolarHBondContact O-N 3.35Å; L134-K137 PolarHBondContact O-N 2.74Å; L134-K137 VanDerWaalsContact O-N 3.16Å; L134-I139 HydrophobicContact CD2-CD1 4.43Å; L134-A151 HydrophobicContact CD1-CB 4.45Å; L134-F159 HydrophobicContact CD2-CB 3.91Å; L134-F159 HydrophobicContact CD2-CD1 3.76Å; L134-F159 HydrophobicContact CD2-CD2 3.71Å; L134-F159 HydrophobicContact CD2-CE1 4.19Å; L134-F159 HydrophobicContact CD2-CE2 4.14Å; L134-F159 HydrophobicContact CD2-CG 3.5Å; L134-F159 VanDerWaalsContact CD2-CG 3.5Å; L134-F159 HydrophobicContact CD2-CZ 4.37Å; L134-W161 HydrophobicContact CD1-CH2 3.62Å; L134-W161 HydrophobicContact CD1-CZ2 4.36Å; L134-W161 HydrophobicContact CD1-CZ3 3.71Å; L134-P181 HydrophobicContact CD1-CB 3.98Å; L134-P181 HydrophobicContact CD1-CG 3.67Å; L134-P181 HydrophobicContact CD2-CB 4Å; L134-P181 HydrophobicContact CD2-CG 4.48Å; L134-P181 HydrophobicContact CG-CB 3.92Å; L134-P181 HydrophobicContact CG-CG 3.85Å
135	Q	73	Confident	82.1	Confident	88 Å²	88	60.6 Å²	60.6	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-26.6	178.7	-68.1	-164.5	-0.9	0	0	113.5	S130 E131 S132 I133	S130-Q135 PolarHBondContact OG-NE2 3.43Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 2.89Å; S132-Q135 WeakPolarHBondContact O-CB 3.47Å; S132-Q135 PolarHBondContact O-N 3.37Å; S132-Q135 VanDerWaalsContact O-N 3.16Å; I133-Q135 VanDerWaalsContact C-N 3.32Å
136	E	81.2	Confident	83.1	Confident	179 Å²	179	55.5 Å²	55.5	84%	0.836	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.2	175.2	-62	-175.8	176.8	0	0	112.2	L134	L134-E136 VanDerWaalsContact C-N 3.29Å; L134-E136 PolarHBondContact O-N 3.35Å
137	K	87.4	Confident	84.1	Confident	53 Å²	53	53.6 Å²	53.6	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	-105.7	148.1	-178.7	-59.6	-65.5	-173.6	156.5	0	110.3	L134 I139 E157 F159	L134-K137 PolarHBondContact O-N 2.74Å; L134-K137 VanDerWaalsContact O-N 3.16Å; K137-I139 HydrophobicContact CB-CD1 4.27Å; K137-E157 IonicContact NZ-OE1 2.91Å; K137-E157 PolarHBondContact NZ-OE1 3.4Å; K137-E157 IonicContact NZ-OE2 3.53Å; K137-E157 PolarHBondContact NZ-OE2 3.05Å; K137-F159 HydrophobicContact CG-CE2 4.38Å; K137-F159 HydrophobicContact CG-CZ 4.21Å
138	K	90.8	Very high	85.2	Confident	100 Å²	100	48.7 Å²	48.7	44%	0.435	24%	0.237	S	C	.	.			trans	-95.6	106.1	172.7	-173.1	169.3	-178.5	174.3	0	109.2	S153 K154	K138-S153 CarbonylContact O-C 3.31Å; K138-K154 HydrophobicContact CB-CB 4.23Å; K138-K154 HydrophobicContact CD-CD 3.88Å; K138-K154 HydrophobicContact CG-CB 4.39Å; K138-K154 HydrophobicContact CG-CD 4.45Å; K138-K154 WeakPolarHBondContact O-CB 3.47Å; K138-K154 PolarHBondContact O-N 2.81Å
139	I	92.8	Very high	86.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.2	-179.6	-57.9	-52.4	0	0	0	111	L112 G116 P118 L134 K137 Q141 I142 A151 L152	L112-I139 HydrophobicContact CD1-CB 3.75Å; L112-I139 HydrophobicContact CD1-CG2 3.82Å; L112-I139 HydrophobicContact CD2-CG2 4.32Å; G116-I139 WeakPolarHBondContact CA-O 3.47Å; G116-I139 WeakPolarHBondContact O-CB 3.2Å; G116-I139 PolarHBondContact O-N 3.32Å; P118-I139 HydrophobicContact CG-CG1 3.91Å; L134-I139 HydrophobicContact CD2-CD1 4.43Å; K137-I139 HydrophobicContact CB-CD1 4.27Å; I139-Q141 VanDerWaalsContact CG2-O 3.26Å; I139-Q141 WeakPolarHBondContact CG2-O 3.37Å; I139-I142 HydrophobicContact CG2-CG2 3.85Å; I139-A151 HydrophobicContact CD1-CB 4.28Å; I139-A151 HydrophobicContact CG2-CB 4.05Å; I139-L152 WeakPolarHBondContact CG2-O 3.27Å
140	I	92.5	Very high	87	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-28.4	-178.9	56.4	168.8	0	0	0	113.3	L152 K154 R385 I387	I140-L152 HydrophobicContact CD1-CD2 4.06Å; I140-L152 HydrophobicContact CD1-CG 4.14Å; I140-L152 HydrophobicContact CG1-CB 4.38Å; I140-L152 HydrophobicContact CG1-CD2 4.33Å; I140-L152 HydrophobicContact CG1-CG 4.07Å; I140-L152 VanDerWaalsContact CG1-O 3.26Å; I140-L152 WeakPolarHBondContact CG1-O 3.49Å; I140-L152 PolarHBondContact N-O 3.28Å; I140-K154 HydrophobicContact CG2-CB 3.77Å; I140-K154 HydrophobicContact CG2-CG 4.1Å; I140-R385 HydrophobicContact CB-CB 3.95Å; I140-R385 HydrophobicContact CG2-CB 4.46Å; I140-I387 HydrophobicContact CD1-CG2 4.07Å
141	Q	93.6	Very high	88.1	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.075	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150	175.9	-58.9	-179.2	8.3	0	0	110.9	I139 A151 L152 A193 I195 L383 R385	I139-Q141 VanDerWaalsContact CG2-O 3.26Å; I139-Q141 WeakPolarHBondContact CG2-O 3.37Å; Q141-A151 WeakPolarHBondContact O-CA 3.46Å; Q141-L152 HydrophobicContact CB-CB 4.15Å; Q141-L152 PolarHBondContact N-O 2.96Å; Q141-L152 PolarHBondContact O-N 3.05Å; Q141-A193 PolarHBondContact NE2-O 2.75Å; Q141-I195 HydrophobicContact CB-CD1 4.1Å; Q141-I195 HydrophobicContact CB-CG1 4.12Å; Q141-L383 PolarHBondContact NE2-O 3.01Å; Q141-R385 PolarHBondContact NE2-O 2.93Å
142	I	93.9	Very high	89.3	Confident	16 Å²	16	37.2 Å²	37.2	8%	0.082	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.6	175.5	50.9	163.9	0	0	0	108.5	L110 L112 I139 L150 A151	L110-I142 HydrophobicContact CB-CB 4.31Å; L110-I142 HydrophobicContact CB-CD1 3.68Å; L110-I142 HydrophobicContact CD1-CB 4.03Å; L110-I142 HydrophobicContact CD1-CG2 4.41Å; L112-I142 HydrophobicContact CB-CD1 3.72Å; L112-I142 HydrophobicContact CB-CG1 4.06Å; L112-I142 HydrophobicContact CB-CG2 4.35Å; I139-I142 HydrophobicContact CG2-CG2 3.85Å; I142-L150 WeakPolarHBondContact CA-O 3.38Å; I142-A151 HydrophobicContact CG2-CB 4.25Å
143	T	94.2	Very high	90.7	Very high	12 Å²	12	33.2 Å²	33.2	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.4	168.1	-172.1	0	0	0	0	111.9	D103 L150 I195 A197	D103-T143 WeakPolarHBondContact OD2-CA 3.36Å; D103-T143 WeakPolarHBondContact OD2-CB 3.45Å; D103-T143 PolarHBondContact OD2-OG1 2.9Å; T143-L150 HydrophobicContact CG2-CB 3.77Å; T143-L150 HydrophobicContact CG2-CD1 3.9Å; T143-L150 HydrophobicContact CG2-CG 4.23Å; T143-L150 PolarHBondContact N-O 2.8Å; T143-L150 PolarHBondContact O-N 3.41Å; T143-I195 HydrophobicContact CG2-CB 4.2Å; T143-I195 HydrophobicContact CG2-CD1 3.86Å; T143-I195 HydrophobicContact CG2-CG1 3.78Å; T143-A197 HydrophobicContact CG2-CB 3.95Å
144	C	93.9	Very high	91.5	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.2	179.5	-65.1	0	0	0	0	110.9	D103 Q104 G105 H108 L110 H148	D103-C144 PolarHBondContact OD2-N 3.12Å; Q104-C144 VanDerWaalsContact C-CB 3.42Å; G105-C144 VanDerWaalsContact N-CB 3.28Å; H108-C144 PolarHBondContact NE2-SG 3.17Å; L110-C144 WeakPolarHBondContact CG-SG 3.48Å; C144-H148 WeakPolarHBondContact CA-O 3.24Å
145	G	94.1	Very high	91.9	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	16%	0.156	C	C	.	.			trans	-87.4	-169.1	152.8	0	0	0	0	0	111.1	G105 Y147 H148 G198	G105-G145 WeakPolarHBondContact CA-O 3.45Å; G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 3.3Å; G145-H148 PolarHBondContact N-O 2.95Å; G145-G198 WeakPolarHBondContact CA-O 3.46Å
146	D	92.5	Very high	92.8	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.118	14%	0.138	C	C	.	.	S	Bend	trans	-62.4	-38.1	-178.5	-91.2	13.6	0	0	0	110.9	A106 E199 R303	A106-D146 HydrophobicContact CB-CB 3.94Å; A106-D146 VanDerWaalsContact CB-O 3.29Å; A106-D146 WeakPolarHBondContact CB-O 3.36Å; A106-D146 PolarHBondContact N-O 3.37Å; D146-E199 HydrophobicContact CB-CG 4.12Å; D146-E199 PolarHBondContact N-O 3.45Å; D146-R303 IonicContact OD1-NH1 3.89Å; D146-R303 IonicContact OD2-CZ 3.34Å; D146-R303 IonicContact OD2-NH1 2.73Å; D146-R303 PolarHBondContact OD2-NH1 3.23Å; D146-R303 VanDerWaalsContact OD2-NH1 3.08Å; D146-R303 IonicContact OD2-NH2 3.33Å; D146-R303 PolarHBondContact OD2-NH2 2.78Å
147	Y	93.6	Very high	93.4	Very high	103 Å²	103	21.7 Å²	21.7	40%	0.404	11%	0.105	S	C	.	.	S	Bend	trans	-138.1	14.9	-174.1	-57	-72.3	0	0	0	114.3	A106 D107 G145 Q163	A106-Y147 HydrophobicContact CB-CE1 4.16Å; D107-Y147 HydrophobicContact CB-CD1 4.3Å; D107-Y147 HydrophobicContact CB-CE1 4.26Å; D107-Y147 WeakPolarHBondContact OD2-CD1 3.44Å; G145-Y147 VanDerWaalsContact C-N 3.26Å; G145-Y147 PolarHBondContact O-N 3.3Å; Y147-Q163 WeakPolarHBondContact O-CB 3.36Å; Y147-Q163 PolarHBondContact O-N 3Å
148	H	95.4	Very high	93.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.5	176.5	72.6	-74.5	0	0	0	111.7	H108 C144 G145 W161 Q168 L169 S202	H108-H148 PolarHBondContact NE2-O 3.19Å; C144-H148 WeakPolarHBondContact CA-O 3.24Å; G145-H148 PolarHBondContact N-O 2.95Å; H148-W161 CarbonylContact C-O 3.54Å; H148-W161 VanDerWaalsContact CA-O 3.3Å; H148-W161 WeakPolarHBondContact CA-O 3.45Å; H148-W161 WeakPolarHBondContact CB-O 3.35Å; H148-Q168 HydrophobicContact CB-CG 4.16Å; H148-L169 HydrophobicContact CB-CD2 3.68Å; H148-S202 PolarHBondContact NE2-OG 3.1Å
149	S	95.8	Very high	94.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.1	-173	-87.5	0	0	0	0	110.1	H108 L110 A160 W161	H108-S149 PolarHBondContact CD2-OG 3.48Å; H108-S149 VanDerWaalsContact CD2-OG 3.25Å; H108-S149 PolarHBondContact NE2-OG 2.95Å; L110-S149 WeakPolarHBondContact CD1-OG 3.36Å; L110-S149 WeakPolarHBondContact CD2-OG 3.46Å; L110-S149 WeakPolarHBondContact CG-OG 3.41Å; S149-A160 VanDerWaalsContact O-CA 3.29Å; S149-A160 WeakPolarHBondContact O-CA 3.41Å; S149-W161 PolarHBondContact N-O 2.76Å; S149-W161 PolarHBondContact O-N 3.4Å
150	L	96.9	Very high	94.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.5	172.4	-57.3	176.9	0	0	0	110.4	I142 T143 L158 F159 A160 I195 A197 W214	I142-L150 WeakPolarHBondContact CA-O 3.38Å; T143-L150 HydrophobicContact CG2-CB 3.77Å; T143-L150 HydrophobicContact CG2-CD1 3.9Å; T143-L150 HydrophobicContact CG2-CG 4.23Å; T143-L150 PolarHBondContact N-O 2.8Å; T143-L150 PolarHBondContact O-N 3.41Å; L150-L158 HydrophobicContact CB-CD1 4.39Å; L150-F159 CarbonylContact C-O 3.53Å; L150-F159 VanDerWaalsContact CA-O 3.28Å; L150-F159 WeakPolarHBondContact CA-O 3.1Å; L150-A160 HydrophobicContact CD2-CB 3.53Å; L150-I195 HydrophobicContact CB-CD1 4.01Å; L150-A197 HydrophobicContact CD1-CB 4.33Å; L150-W214 HydrophobicContact CD1-CZ2 4.45Å; L150-W214 HydrophobicContact CD2-CZ2 4.48Å
151	A	95.8	Very high	94.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.2	173.7	0	0	0	0	0	111.3	L134 I139 Q141 I142 F159 W161	L134-A151 HydrophobicContact CD1-CB 4.45Å; I139-A151 HydrophobicContact CD1-CB 4.28Å; I139-A151 HydrophobicContact CG2-CB 4.05Å; Q141-A151 WeakPolarHBondContact O-CA 3.46Å; I142-A151 HydrophobicContact CG2-CB 4.25Å; A151-F159 PolarHBondContact N-O 3.48Å; A151-F159 PolarHBondContact O-N 3.47Å; A151-W161 HydrophobicContact CB-CH2 3.96Å; A151-W161 HydrophobicContact CB-CZ3 3.86Å
152	L	95.6	Very high	94.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.4	176.4	-179.4	62.2	0	0	0	110.2	I139 I140 Q141 L192 I195	I139-L152 WeakPolarHBondContact CG2-O 3.27Å; I140-L152 HydrophobicContact CD1-CD2 4.06Å; I140-L152 HydrophobicContact CD1-CG 4.14Å; I140-L152 HydrophobicContact CG1-CB 4.38Å; I140-L152 HydrophobicContact CG1-CD2 4.33Å; I140-L152 HydrophobicContact CG1-CG 4.07Å; I140-L152 VanDerWaalsContact CG1-O 3.26Å; I140-L152 WeakPolarHBondContact CG1-O 3.49Å; I140-L152 PolarHBondContact N-O 3.28Å; Q141-L152 HydrophobicContact CB-CB 4.15Å; Q141-L152 PolarHBondContact N-O 2.96Å; Q141-L152 PolarHBondContact O-N 3.05Å; L152-L192 HydrophobicContact CD1-CB 3.94Å; L152-L192 HydrophobicContact CD1-CD1 3.94Å; L152-L192 HydrophobicContact CD2-CB 4.12Å; L152-I195 HydrophobicContact CB-CD1 4.14Å; L152-I195 HydrophobicContact CB-CG2 4.31Å
153	S	94.4	Very high	94.5	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	156	176.3	100.9	0	0	0	0	111.8	K138 G155 G156 E157	K138-S153 CarbonylContact O-C 3.31Å; S153-G155 PolarHBondContact O-N 3.36Å; S153-G155 PolarHBondContact OG-N 3.18Å; S153-G155 VanDerWaalsContact OG-N 3.09Å; S153-G156 PolarHBondContact O-N 3.47Å; S153-G156 PolarHBondContact OG-N 2.96Å; S153-E157 PolarHBondContact N-O 2.91Å; S153-E157 WeakPolarHBondContact OG-CB 3.48Å; S153-E157 PolarHBondContact OG-N 3.45Å; S153-E157 PolarHBondContact OG-OE2 3.21Å; S153-E157 VanDerWaalsContact OG-OE2 3.11Å
154	K	91.9	Very high	94.6	Very high	46 Å²	46	16 Å²	16	20%	0.2	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.6	172.9	-168.7	175.3	176.2	-166.7	0	111.8	K138 I140 G156 P388 E416	K138-K154 HydrophobicContact CB-CB 4.23Å; K138-K154 HydrophobicContact CD-CD 3.88Å; K138-K154 HydrophobicContact CG-CB 4.39Å; K138-K154 HydrophobicContact CG-CD 4.45Å; K138-K154 WeakPolarHBondContact O-CB 3.47Å; K138-K154 PolarHBondContact O-N 2.81Å; I140-K154 HydrophobicContact CG2-CB 3.77Å; I140-K154 HydrophobicContact CG2-CG 4.1Å; K154-G156 VanDerWaalsContact C-N 3.25Å; K154-G156 PolarHBondContact O-N 3.48Å; K154-P388 HydrophobicContact CG-CG 4.28Å; K154-P388 WeakPolarHBondContact O-CD 3.34Å; K154-E416 VanDerWaalsContact CE-OE2 3.3Å; K154-E416 WeakPolarHBondContact CE-OE2 3.48Å; K154-E416 IonicContact NZ-OE1 2.76Å; K154-E416 PolarHBondContact NZ-OE1 2.7Å; K154-E416 IonicContact NZ-OE2 3.93Å; K154-E416 PolarHBondContact NZ-OE2 3.49Å
155	G	91	Very high	94.6	Very high	23 Å²	23	20 Å²	20	24%	0.237	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.5	174.2	0	0	0	0	0	114.1	S153 E157 S420	S153-G155 PolarHBondContact O-N 3.36Å; S153-G155 PolarHBondContact OG-N 3.18Å; S153-G155 VanDerWaalsContact OG-N 3.09Å; G155-E157 VanDerWaalsContact C-N 3.35Å; G155-S420 WeakPolarHBondContact O-CB 3.47Å; G155-S420 PolarHBondContact O-OG 2.92Å
156	G	92.6	Very high	94.7	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	80.3	10.6	-179.6	0	0	0	0	0	114.9	S153 K154	S153-G156 PolarHBondContact O-N 3.47Å; S153-G156 PolarHBondContact OG-N 2.96Å; K154-G156 VanDerWaalsContact C-N 3.25Å; K154-G156 PolarHBondContact O-N 3.48Å
157	E	93.7	Very high	94.9	Very high	34 Å²	34	21.1 Å²	21.1	16%	0.159	11%	0.108	C	C	.	.			trans	-82.9	129.2	176.5	-58.9	157.7	120.6	0	0	109.6	K137 S153 G155 F159 I183	K137-E157 IonicContact NZ-OE1 2.91Å; K137-E157 PolarHBondContact NZ-OE1 3.4Å; K137-E157 IonicContact NZ-OE2 3.53Å; K137-E157 PolarHBondContact NZ-OE2 3.05Å; S153-E157 PolarHBondContact N-O 2.91Å; S153-E157 WeakPolarHBondContact OG-CB 3.48Å; S153-E157 PolarHBondContact OG-N 3.45Å; S153-E157 PolarHBondContact OG-OE2 3.21Å; S153-E157 VanDerWaalsContact OG-OE2 3.11Å; G155-E157 VanDerWaalsContact C-N 3.35Å; E157-F159 HydrophobicContact CB-CD2 4.46Å; E157-F159 HydrophobicContact CB-CE2 3.66Å; E157-F159 HydrophobicContact CB-CZ 4.02Å; E157-I183 HydrophobicContact CB-CD1 4.19Å; E157-I183 HydrophobicContact CG-CD1 4.21Å
158	L	95.9	Very high	95	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.8	174.4	-179.1	61.4	0	0	0	110.2	L150 I183 V184 L187 L192 I195 W214	L150-L158 HydrophobicContact CB-CD1 4.39Å; L158-I183 WeakPolarHBondContact O-CA 3.13Å; L158-V184 HydrophobicContact CB-CB 4.24Å; L158-V184 HydrophobicContact CB-CG2 4.36Å; L158-V184 HydrophobicContact CD2-CB 4.16Å; L158-V184 HydrophobicContact CD2-CG1 4.44Å; L158-V184 HydrophobicContact CD2-CG2 4.01Å; L158-V184 HydrophobicContact CG-CB 4.22Å; L158-V184 HydrophobicContact CG-CG2 3.89Å; L158-V184 PolarHBondContact O-N 3.45Å; L158-L187 HydrophobicContact CD2-CD1 3.8Å; L158-L192 HydrophobicContact CB-CD1 4.01Å; L158-L192 HydrophobicContact CD2-CD1 4.35Å; L158-I195 HydrophobicContact CD1-CG2 3.74Å; L158-W214 HydrophobicContact CD2-CH2 3.68Å; L158-W214 HydrophobicContact CD2-CZ2 3.9Å
159	F	96.3	Very high	95.1	Very high	12 Å²	12	16.4 Å²	16.4	5%	0.053	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.2	175.4	-62.8	-88.7	0	0	0	110.9	L134 K137 L150 A151 E157 W161 P181 Q182 I183	L134-F159 HydrophobicContact CD2-CB 3.91Å; L134-F159 HydrophobicContact CD2-CD1 3.76Å; L134-F159 HydrophobicContact CD2-CD2 3.71Å; L134-F159 HydrophobicContact CD2-CE1 4.19Å; L134-F159 HydrophobicContact CD2-CE2 4.14Å; L134-F159 HydrophobicContact CD2-CG 3.5Å; L134-F159 VanDerWaalsContact CD2-CG 3.5Å; L134-F159 HydrophobicContact CD2-CZ 4.37Å; K137-F159 HydrophobicContact CG-CE2 4.38Å; K137-F159 HydrophobicContact CG-CZ 4.21Å; L150-F159 CarbonylContact C-O 3.53Å; L150-F159 VanDerWaalsContact CA-O 3.28Å; L150-F159 WeakPolarHBondContact CA-O 3.1Å; A151-F159 PolarHBondContact N-O 3.48Å; A151-F159 PolarHBondContact O-N 3.47Å; E157-F159 HydrophobicContact CB-CD2 4.46Å; E157-F159 HydrophobicContact CB-CE2 3.66Å; E157-F159 HydrophobicContact CB-CZ 4.02Å; F159-W161 HydrophobicContact CB-CZ3 4.37Å; F159-P181 HydrophobicContact CB-CB 4.4Å; F159-Q182 CarbonylContact C-O 3.56Å; F159-Q182 VanDerWaalsContact CA-O 3.23Å; F159-Q182 WeakPolarHBondContact CA-O 3.32Å; F159-I183 HydrophobicContact CD1-CB 4.3Å; F159-I183 HydrophobicContact CE1-CB 4.12Å
160	A	96.1	Very high	95.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.8	179	0	0	0	0	0	112.1	S149 L150 L169 Q182 V184	S149-A160 VanDerWaalsContact O-CA 3.29Å; S149-A160 WeakPolarHBondContact O-CA 3.41Å; L150-A160 HydrophobicContact CD2-CB 3.53Å; A160-L169 HydrophobicContact CB-CB 4.02Å; A160-L169 HydrophobicContact CB-CD2 4.14Å; A160-L169 VanDerWaalsContact CB-O 3.26Å; A160-L169 WeakPolarHBondContact CB-O 3.4Å; A160-Q182 PolarHBondContact N-O 3.49Å; A160-Q182 PolarHBondContact O-N 3.41Å; A160-V184 HydrophobicContact CB-CG2 3.91Å
161	W	95.1	Very high	94.9	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	170.2	172.4	63.9	104.8	0	0	0	111.9	L110 E120 E131 L134 H148 S149 A151 F159 L169 T178 P181	L110-W161 HydrophobicContact CD1-CH2 4.35Å; L110-W161 HydrophobicContact CD1-CZ2 4.33Å; L110-W161 HydrophobicContact CD2-CH2 4.3Å; L110-W161 HydrophobicContact CD2-CZ2 3.61Å; E120-W161 PolarHBondContact OE2-NE1 3.23Å; E131-W161 HydrophobicContact CG-CZ2 4.43Å; L134-W161 HydrophobicContact CD1-CH2 3.62Å; L134-W161 HydrophobicContact CD1-CZ2 4.36Å; L134-W161 HydrophobicContact CD1-CZ3 3.71Å; H148-W161 CarbonylContact C-O 3.54Å; H148-W161 VanDerWaalsContact CA-O 3.3Å; H148-W161 WeakPolarHBondContact CA-O 3.45Å; H148-W161 WeakPolarHBondContact CB-O 3.35Å; S149-W161 PolarHBondContact N-O 2.76Å; S149-W161 PolarHBondContact O-N 3.4Å; A151-W161 HydrophobicContact CB-CH2 3.96Å; A151-W161 HydrophobicContact CB-CZ3 3.86Å; F159-W161 HydrophobicContact CB-CZ3 4.37Å; W161-L169 VanDerWaalsContact O-CD2 3.32Å; W161-L169 WeakPolarHBondContact O-CD2 3.26Å; W161-T178 HydrophobicContact CB-CG2 4.3Å; W161-P181 HydrophobicContact CD2-CB 4.28Å; W161-P181 HydrophobicContact CD2-CG 3.82Å; W161-P181 HydrophobicContact CE3-CB 3.78Å; W161-P181 HydrophobicContact CE3-CG 3.75Å; W161-P181 HydrophobicContact CG-CG 4.23Å; W161-P181 HydrophobicContact CZ3-CB 4.29Å; W161-P181 HydrophobicContact CZ3-CG 4.22Å
162	G	94	Very high	94.7	Very high	15 Å²	15	19 Å²	19	16%	0.155	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.3	-149.5	-174.1	0	0	0	0	0	112	S177 T178	G162-S177 CarbonylContact O-C 3.53Å; G162-S177 WeakPolarHBondContact O-CA 3.47Å; G162-S177 PolarHBondContact O-OG 3.49Å; G162-S177 VanDerWaalsContact O-OG 3.09Å; G162-T178 WeakPolarHBondContact CA-O 3.28Å; G162-T178 PolarHBondContact N-O 3.06Å; G162-T178 PolarHBondContact O-N 2.85Å
163	Q	95.4	Very high	94.3	Very high	52 Å²	52	24.3 Å²	24.3	24%	0.243	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.5	-178.4	-174	175.1	-18.7	0	0	112.3	Y147 L165 Q168	Y147-Q163 WeakPolarHBondContact O-CB 3.36Å; Y147-Q163 PolarHBondContact O-N 3Å; Q163-L165 HydrophobicContact CG-CB 4.45Å; Q163-L165 HydrophobicContact CG-CD1 4.45Å; Q163-L165 HydrophobicContact CG-CG 3.94Å; Q163-Q168 WeakPolarHBondContact O-CG 3.44Å; Q163-Q168 PolarHBondContact O-NE2 2.95Å
164	N	96.2	Very high	93.7	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.027	16%	0.164	C	C	.	.			trans	-138.2	20	-176.1	-163	36.2	0	0	0	113.8	H166 G167 Q168 L169 G172 F175 P176	N164-H166 PolarHBondContact O-N 3.46Å; N164-H166 VanDerWaalsContact O-N 3.1Å; N164-G167 PolarHBondContact O-N 2.52Å; N164-G167 WeakPolarHBondContact OD1-CA 3.27Å; N164-Q168 VanDerWaalsContact CA-OE1 3.28Å; N164-Q168 PolarHBondContact OD1-N 3.39Å; N164-L169 HydrophobicContact CB-CB 4.49Å; N164-L169 HydrophobicContact CB-CD1 3.68Å; N164-L169 HydrophobicContact CB-CG 3.76Å; N164-L169 WeakPolarHBondContact OD1-CB 3.26Å; N164-L169 WeakPolarHBondContact OD1-CG 3.38Å; N164-L169 PolarHBondContact OD1-N 3.43Å; N164-G172 PolarHBondContact ND2-O 2.94Å; N164-F175 WeakPolarHBondContact CB-O 3.48Å; N164-F175 PolarHBondContact ND2-O 3.16Å; N164-F175 VanDerWaalsContact ND2-O 3.13Å; N164-P176 WeakPolarHBondContact CA-O 3.22Å; N164-P176 PolarHBondContact N-O 3.01Å
165	L	95.4	Very high	93.4	Very high	93 Å²	93	37 Å²	37	49%	0.487	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.3	-178	-64.2	-174.3	0	0	0	113.8	Q163 R173 P176	Q163-L165 HydrophobicContact CG-CB 4.45Å; Q163-L165 HydrophobicContact CG-CD1 4.45Å; Q163-L165 HydrophobicContact CG-CG 3.94Å; L165-R173 PolarHBondContact O-NH1 3.43Å; L165-P176 HydrophobicContact CD2-CB 3.65Å
166	H	95.8	Very high	93.4	Very high	47 Å²	47	40 Å²	40	22%	0.218	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	4.9	178.3	-60.4	-69.8	0	0	0	112.9	N164 R173 G215 K216	N164-H166 PolarHBondContact O-N 3.46Å; N164-H166 VanDerWaalsContact O-N 3.1Å; H166-R173 VanDerWaalsContact C-NH2 3.31Å; H166-R173 PolarHBondContact O-NH2 3.04Å; H166-G215 CarbonylContact O-C 3.54Å; H166-G215 VanDerWaalsContact O-C 3.3Å; H166-G215 WeakPolarHBondContact O-CA 3.4Å; H166-K216 HydrophobicContact CB-CB 3.76Å; H166-K216 HydrophobicContact CB-CG 4.43Å
167	G	96.1	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	82.7	12.6	-175.7	0	0	0	0	0	114.2	N164 L169 G170	N164-G167 PolarHBondContact O-N 2.52Å; N164-G167 WeakPolarHBondContact OD1-CA 3.27Å; G167-L169 PolarHBondContact O-N 3.42Å; G167-G170 PolarHBondContact O-N 3.08Å
168	Q	96.6	Very high	93.3	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.7	-173	62.5	-99.9	57.6	0	0	115.3	H148 Q163 N164 A200 S202 W214	H148-Q168 HydrophobicContact CB-CG 4.16Å; Q163-Q168 WeakPolarHBondContact O-CG 3.44Å; Q163-Q168 PolarHBondContact O-NE2 2.95Å; N164-Q168 VanDerWaalsContact CA-OE1 3.28Å; N164-Q168 PolarHBondContact OD1-N 3.39Å; Q168-A200 WeakPolarHBondContact CB-O 3.45Å; Q168-S202 PolarHBondContact O-OG 2.91Å; Q168-W214 PolarHBondContact O-NE1 2.9Å
169	L	96.9	Very high	92.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.6	173.3	-57.3	-171.1	0	0	0	113	H148 A160 W161 N164 G167 V171 T178 V184	H148-L169 HydrophobicContact CB-CD2 3.68Å; A160-L169 HydrophobicContact CB-CB 4.02Å; A160-L169 HydrophobicContact CB-CD2 4.14Å; A160-L169 VanDerWaalsContact CB-O 3.26Å; A160-L169 WeakPolarHBondContact CB-O 3.4Å; W161-L169 VanDerWaalsContact O-CD2 3.32Å; W161-L169 WeakPolarHBondContact O-CD2 3.26Å; N164-L169 HydrophobicContact CB-CB 4.49Å; N164-L169 HydrophobicContact CB-CD1 3.68Å; N164-L169 HydrophobicContact CB-CG 3.76Å; N164-L169 WeakPolarHBondContact OD1-CB 3.26Å; N164-L169 WeakPolarHBondContact OD1-CG 3.38Å; N164-L169 PolarHBondContact OD1-N 3.43Å; G167-L169 PolarHBondContact O-N 3.42Å; L169-V171 HydrophobicContact CB-CG2 3.87Å; L169-V171 HydrophobicContact CD1-CG2 4.44Å; L169-V171 PolarHBondContact O-N 3.25Å; L169-T178 HydrophobicContact CD1-CG2 3.58Å; L169-V184 WeakPolarHBondContact O-CG2 3.18Å
170	G	95.3	Very high	92.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	74.8	10.8	178.9	0	0	0	0	0	114.6	G167 W214 D231	G167-G170 PolarHBondContact O-N 3.08Å; G170-W214 VanDerWaalsContact N-CD1 3.27Å; G170-D231 CarbonylContact C-O 3.54Å; G170-D231 VanDerWaalsContact CA-O 3.23Å; G170-D231 WeakPolarHBondContact CA-O 3.41Å
171	V	93.4	Very high	92.4	Very high	39 Å²	39	49.9 Å²	49.9	24%	0.236	27%	0.265	C	S	.	.	S	Bend	trans	-105.2	20.3	-178.8	-59.2	0	0	0	0	112.7	L169 Q182 I183 V184	L169-V171 HydrophobicContact CB-CG2 3.87Å; L169-V171 HydrophobicContact CD1-CG2 4.44Å; L169-V171 PolarHBondContact O-N 3.25Å; V171-Q182 HydrophobicContact CG1-CB 3.91Å; V171-Q182 HydrophobicContact CG2-CB 4.48Å; V171-I183 WeakPolarHBondContact CG1-O 3.1Å; V171-V184 HydrophobicContact CG1-CG2 4.23Å
172	G	91.9	Very high	92.3	Very high	16 Å²	16	53.7 Å²	53.7	17%	0.165	28%	0.283	C	S	.	.			trans	75.9	172.1	-170.7	0	0	0	0	0	113.3	N164 K174 D231	N164-G172 PolarHBondContact ND2-O 2.94Å; G172-K174 VanDerWaalsContact C-N 3.32Å; G172-K174 PolarHBondContact O-N 2.98Å; G172-D231 WeakPolarHBondContact CA-O 3.47Å; G172-D231 WeakPolarHBondContact CA-OD2 3.27Å; G172-D231 PolarHBondContact N-O 2.81Å
173	R	86.8	Confident	92.2	Very high	112 Å²	112	55.2 Å²	55.2	42%	0.423	29%	0.288	S	S	.	.	S	Bend	trans	-88.9	30.9	179.8	-69.3	169.4	-171.6	-87.8	-1.4	114.9	L165 H166 F175 D231	L165-R173 PolarHBondContact O-NH1 3.43Å; H166-R173 VanDerWaalsContact C-NH2 3.31Å; H166-R173 PolarHBondContact O-NH2 3.04Å; R173-F175 VanDerWaalsContact C-N 3.27Å; R173-F175 PolarHBondContact O-N 3.29Å; R173-D231 HydrophobicContact CG-CB 3.65Å; R173-D231 WeakPolarHBondContact CG-OD2 3.35Å; R173-D231 PolarHBondContact N-OD2 2.79Å; R173-D231 VanDerWaalsContact N-OD2 3.14Å
174	K	82.4	Confident	92.2	Very high	175 Å²	175	52.8 Å²	52.8	76%	0.761	28%	0.276	S	S	*	.	S	Bend	trans	-60.7	-36.5	-178	-66.4	-177.9	-178.9	176.8	0	112.9	G172	G172-K174 VanDerWaalsContact C-N 3.32Å; G172-K174 PolarHBondContact O-N 2.98Å
175	F	85.3	Confident	92	Very high	139 Å²	139	58 Å²	58	61%	0.61	30%	0.301	S	S	*	.			trans	-134.2	144.8	179	-54	-74.6	0	0	0	110.4	N164 R173 S177	N164-F175 WeakPolarHBondContact CB-O 3.48Å; N164-F175 PolarHBondContact ND2-O 3.16Å; N164-F175 VanDerWaalsContact ND2-O 3.13Å; R173-F175 VanDerWaalsContact C-N 3.27Å; R173-F175 PolarHBondContact O-N 3.29Å; F175-S177 VanDerWaalsContact C-N 3.27Å; F175-S177 PolarHBondContact O-N 2.84Å
176	P	89.6	Confident	91.8	Very high	86 Å²	86	57.1 Å²	57.1	56%	0.558	29%	0.293	S	S	*	.	S	Bend	trans	-71.5	-20.3	178	28.6	-34.9	0	0	0	113.4	N164 L165	N164-P176 WeakPolarHBondContact CA-O 3.22Å; N164-P176 PolarHBondContact N-O 3.01Å; L165-P176 HydrophobicContact CD2-CB 3.65Å
177	S	92.8	Very high	91.7	Very high	65 Å²	65	55 Å²	55	46%	0.455	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	152.7	174.2	-177.8	0	0	0	0	109.8	G162 F175	G162-S177 CarbonylContact O-C 3.53Å; G162-S177 WeakPolarHBondContact O-CA 3.47Å; G162-S177 PolarHBondContact O-OG 3.49Å; G162-S177 VanDerWaalsContact O-OG 3.09Å; F175-S177 VanDerWaalsContact C-N 3.27Å; F175-S177 PolarHBondContact O-N 2.84Å
178	T	91.4	Very high	91.5	Very high	27 Å²	27	56 Å²	56	17%	0.166	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.6	171	178.7	0	0	0	0	109.9	W161 G162 L169 T180 Q182	W161-T178 HydrophobicContact CB-CG2 4.3Å; G162-T178 WeakPolarHBondContact CA-O 3.28Å; G162-T178 PolarHBondContact N-O 3.06Å; G162-T178 PolarHBondContact O-N 2.85Å; L169-T178 HydrophobicContact CD1-CG2 3.58Å; T178-T180 PolarHBondContact OG1-N 3.25Å; T178-T180 PolarHBondContact OG1-O 3Å; T178-T180 VanDerWaalsContact OG1-O 3.12Å; T178-Q182 HydrophobicContact CG2-CG 4.09Å
179	T	86.7	Confident	91.3	Very high	105 Å²	105	56.3 Å²	56.3	64%	0.644	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	-13.4	173.9	54.8	0	0	0	0	112.6
180	T	89.4	Confident	91.2	Very high	58 Å²	58	56.2 Å²	56.2	36%	0.356	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.5	-175.9	-55.5	0	0	0	0	109.3	I133 T178 Q182	I133-T180 HydrophobicContact CD1-CG2 3.27Å; T178-T180 PolarHBondContact OG1-N 3.25Å; T178-T180 PolarHBondContact OG1-O 3Å; T178-T180 VanDerWaalsContact OG1-O 3.12Å; T180-Q182 PolarHBondContact O-N 2.86Å; T180-Q182 PolarHBondContact O-NE2 3.28Å
181	P	93.1	Very high	91.1	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.032	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	122.7	175.4	-29.5	36.1	0	0	0	112.7	E131 L134 F159 W161	E131-P181 HydrophobicContact CB-CG 4.01Å; E131-P181 HydrophobicContact CG-CG 3.98Å; E131-P181 WeakPolarHBondContact OE2-CD 3.33Å; L134-P181 HydrophobicContact CD1-CB 3.98Å; L134-P181 HydrophobicContact CD1-CG 3.67Å; L134-P181 HydrophobicContact CD2-CB 4Å; L134-P181 HydrophobicContact CD2-CG 4.48Å; L134-P181 HydrophobicContact CG-CB 3.92Å; L134-P181 HydrophobicContact CG-CG 3.85Å; F159-P181 HydrophobicContact CB-CB 4.4Å; W161-P181 HydrophobicContact CD2-CB 4.28Å; W161-P181 HydrophobicContact CD2-CG 3.82Å; W161-P181 HydrophobicContact CE3-CB 3.78Å; W161-P181 HydrophobicContact CE3-CG 3.75Å; W161-P181 HydrophobicContact CG-CG 4.23Å; W161-P181 HydrophobicContact CZ3-CB 4.29Å; W161-P181 HydrophobicContact CZ3-CG 4.22Å
182	Q	93.3	Very high	91.2	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.393	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.1	174.8	-62.9	-62	-51.7	0	0	109.6	F159 A160 V171 T178 T180	F159-Q182 CarbonylContact C-O 3.56Å; F159-Q182 VanDerWaalsContact CA-O 3.23Å; F159-Q182 WeakPolarHBondContact CA-O 3.32Å; A160-Q182 PolarHBondContact N-O 3.49Å; A160-Q182 PolarHBondContact O-N 3.41Å; V171-Q182 HydrophobicContact CG1-CB 3.91Å; V171-Q182 HydrophobicContact CG2-CB 4.48Å; T178-Q182 HydrophobicContact CG2-CG 4.09Å; T180-Q182 PolarHBondContact O-N 2.86Å; T180-Q182 PolarHBondContact O-NE2 3.28Å
183	I	93.1	Very high	91.2	Very high	48 Å²	48	54.6 Å²	54.6	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.6	173.5	-172.6	166	0	0	0	110.3	E157 L158 F159 V171 E185	E157-I183 HydrophobicContact CB-CD1 4.19Å; E157-I183 HydrophobicContact CG-CD1 4.21Å; L158-I183 WeakPolarHBondContact O-CA 3.13Å; F159-I183 HydrophobicContact CD1-CB 4.3Å; F159-I183 HydrophobicContact CE1-CB 4.12Å; V171-I183 WeakPolarHBondContact CG1-O 3.1Å; I183-E185 HydrophobicContact CG2-CG 4.01Å; I183-E185 WeakPolarHBondContact CG2-OE1 3.15Å; I183-E185 PolarHBondContact O-N 3.01Å
184	V	94.6	Very high	91.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.271	C	S	.	.			trans	-86.7	80.2	177	-173.5	0	0	0	0	109	L158 A160 L169 V171 H186 L187 P233	L158-V184 HydrophobicContact CB-CB 4.24Å; L158-V184 HydrophobicContact CB-CG2 4.36Å; L158-V184 HydrophobicContact CD2-CB 4.16Å; L158-V184 HydrophobicContact CD2-CG1 4.44Å; L158-V184 HydrophobicContact CD2-CG2 4.01Å; L158-V184 HydrophobicContact CG-CB 4.22Å; L158-V184 HydrophobicContact CG-CG2 3.89Å; L158-V184 PolarHBondContact O-N 3.45Å; A160-V184 HydrophobicContact CB-CG2 3.91Å; L169-V184 WeakPolarHBondContact O-CG2 3.18Å; V171-V184 HydrophobicContact CG1-CG2 4.23Å; V184-H186 PolarHBondContact O-N 3.22Å; V184-H186 VanDerWaalsContact O-N 3.12Å; V184-L187 HydrophobicContact CG1-CD1 4.32Å; V184-L187 PolarHBondContact O-N 3.04Å; V184-L187 VanDerWaalsContact O-N 3.09Å; V184-P233 HydrophobicContact CG1-CG 3.55Å
185	E	91.9	Very high	92.2	Very high	115 Å²	115	42.8 Å²	42.8	54%	0.537	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-56.4	-29.8	-171.4	-66.6	-67.1	178	0	0	114.5	I183 L187 A188	I183-E185 HydrophobicContact CG2-CG 4.01Å; I183-E185 WeakPolarHBondContact CG2-OE1 3.15Å; I183-E185 PolarHBondContact O-N 3.01Å; E185-L187 PolarHBondContact O-N 3.24Å; E185-A188 WeakPolarHBondContact O-CB 3.48Å; E185-A188 PolarHBondContact O-N 3.33Å
186	H	91.7	Very high	92.7	Very high	73 Å²	73	36.9 Å²	36.9	34%	0.338	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.7	-29.9	-179.4	-73.2	60.8	0	0	0	112.2	V184 P233 S480 H482	V184-H186 PolarHBondContact O-N 3.22Å; V184-H186 VanDerWaalsContact O-N 3.12Å; H186-P233 HydrophobicContact CB-CG 4.31Å; H186-S480 PolarHBondContact O-OG 3.19Å; H186-H482 PolarHBondContact O-CD2 3.11Å
187	L	93.9	Very high	93	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-94.6	7.1	175.6	-69.2	171.3	0	0	0	112.9	L158 V184 E185 G189 V190 L192 A204 Y212 W214 P233	L158-L187 HydrophobicContact CD2-CD1 3.8Å; V184-L187 HydrophobicContact CG1-CD1 4.32Å; V184-L187 PolarHBondContact O-N 3.04Å; V184-L187 VanDerWaalsContact O-N 3.09Å; E185-L187 PolarHBondContact O-N 3.24Å; L187-G189 PolarHBondContact O-N 3.38Å; L187-V190 HydrophobicContact CD2-CB 4.47Å; L187-V190 HydrophobicContact CD2-CG2 4.13Å; L187-V190 WeakPolarHBondContact O-CB 3.43Å; L187-V190 PolarHBondContact O-N 2.98Å; L187-V190 VanDerWaalsContact O-N 3.11Å; L187-L192 HydrophobicContact CD1-CD1 4.46Å; L187-A204 HydrophobicContact CD1-CB 4.21Å; L187-Y212 HydrophobicContact CD2-CD1 3.84Å; L187-Y212 HydrophobicContact CD2-CD2 3.83Å; L187-Y212 HydrophobicContact CD2-CE1 4.2Å; L187-Y212 HydrophobicContact CD2-CE2 4.18Å; L187-Y212 HydrophobicContact CD2-CG 3.63Å; L187-W214 HydrophobicContact CD1-CH2 3.94Å; L187-W214 HydrophobicContact CD1-CZ3 3.9Å; L187-P233 HydrophobicContact CD1-CB 3.77Å; L187-P233 HydrophobicContact CD1-CG 3.62Å; L187-P233 HydrophobicContact CD2-CB 3.94Å; L187-P233 HydrophobicContact CG-CB 3.67Å; L187-P233 HydrophobicContact CG-CG 3.7Å
188	A	91.9	Very high	93.1	Very high	22 Å²	22	30.5 Å²	30.5	18%	0.182	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	130.4	176.2	0	0	0	0	0	110.1	E185 V190 P477 A485	E185-A188 WeakPolarHBondContact O-CB 3.48Å; E185-A188 PolarHBondContact O-N 3.33Å; A188-V190 VanDerWaalsContact C-N 3.25Å; A188-V190 PolarHBondContact O-N 3.15Å; A188-P477 HydrophobicContact CB-CB 4.3Å; A188-P477 WeakPolarHBondContact O-CB 3.36Å; A188-A485 VanDerWaalsContact O-CB 3.29Å; A188-A485 WeakPolarHBondContact O-CB 3.07Å
189	G	91.8	Very high	93.3	Very high	8 Å²	8	31.6 Å²	31.6	8%	0.082	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-10.2	-179.8	0	0	0	0	0	116.3	L187 A422	L187-G189 PolarHBondContact O-N 3.38Å; G189-A422 WeakPolarHBondContact O-CA 3.34Å
190	V	94.3	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.			trans	-69.4	129.3	171.5	-178.1	0	0	0	0	109.2	L187 A188 L192 Y212 A422 H482 A485	L187-V190 HydrophobicContact CD2-CB 4.47Å; L187-V190 HydrophobicContact CD2-CG2 4.13Å; L187-V190 WeakPolarHBondContact O-CB 3.43Å; L187-V190 PolarHBondContact O-N 2.98Å; L187-V190 VanDerWaalsContact O-N 3.11Å; A188-V190 VanDerWaalsContact C-N 3.25Å; A188-V190 PolarHBondContact O-N 3.15Å; V190-L192 HydrophobicContact CB-CD2 4.32Å; V190-L192 HydrophobicContact CG1-CD2 3.84Å; V190-L192 PolarHBondContact O-N 2.88Å; V190-Y212 HydrophobicContact CG1-CE2 3.79Å; V190-A422 WeakPolarHBondContact O-CB 3.45Å; V190-H482 HydrophobicContact CG2-CB 4.32Å; V190-A485 HydrophobicContact CG2-CB 3.99Å
191	P	94.3	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.			trans	-74.1	84.6	179.2	30	-34.3	0	0	0	111	S206 M207 I387 A422 T425 L429	P191-S206 CarbonylContact O-C 3.42Å; P191-S206 WeakPolarHBondContact O-CA 3.28Å; P191-M207 HydrophobicContact CB-CB 4.31Å; P191-M207 HydrophobicContact CB-CG 4.36Å; P191-M207 HydrophobicContact CB-SD 4.36Å; P191-M207 WeakPolarHBondContact O-CG 3.41Å; P191-M207 PolarHBondContact O-N 3.03Å; P191-I387 HydrophobicContact CB-CD1 3.94Å; P191-A422 WeakPolarHBondContact CB-O 3.02Å; P191-T425 HydrophobicContact CG-CG2 4.14Å; P191-L429 HydrophobicContact CB-CD1 4.49Å; P191-L429 HydrophobicContact CG-CD1 4.01Å
192	L	94.6	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.4	-177.5	-62.3	-178.9	0	0	0	113	L152 L158 L187 V190 A204	L152-L192 HydrophobicContact CD1-CB 3.94Å; L152-L192 HydrophobicContact CD1-CD1 3.94Å; L152-L192 HydrophobicContact CD2-CB 4.12Å; L158-L192 HydrophobicContact CB-CD1 4.01Å; L158-L192 HydrophobicContact CD2-CD1 4.35Å; L187-L192 HydrophobicContact CD1-CD1 4.46Å; V190-L192 HydrophobicContact CB-CD2 4.32Å; V190-L192 HydrophobicContact CG1-CD2 3.84Å; V190-L192 PolarHBondContact O-N 2.88Å; L192-A204 HydrophobicContact CD1-CB 4.4Å; L192-A204 HydrophobicContact CD2-CB 3.91Å
193	A	92.4	Very high	94.6	Very high	21 Å²	21	20 Å²	20	17%	0.174	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-38	179	0	0	0	0	0	113.1	Q141 L205 M207	Q141-A193 PolarHBondContact NE2-O 2.75Å; A193-L205 PolarHBondContact N-O 2.94Å; A193-M207 HydrophobicContact CB-CG 3.89Å
194	Q	94.2	Very high	94.8	Very high	29 Å²	29	17.8 Å²	17.8	14%	0.136	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.9	-178	-167.7	-173.6	-0.1	0	0	111.6	A204 L205 F246 L247	Q194-A204 CarbonylContact O-C 3.56Å; Q194-A204 WeakPolarHBondContact O-CA 3.33Å; Q194-L205 HydrophobicContact CB-CB 4.04Å; Q194-L205 HydrophobicContact CB-CD2 4.32Å; Q194-L205 PolarHBondContact N-O 3.5Å; Q194-L205 PolarHBondContact O-N 3.31Å; Q194-F246 VanDerWaalsContact NE2-CE2 3.28Å; Q194-L247 PolarHBondContact NE2-O 2.87Å; Q194-L247 VanDerWaalsContact NE2-O 3.09Å
195	I	96.4	Very high	94.8	Very high	9 Å²	9	18 Å²	18	5%	0.046	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.1	166.7	60	179	0	0	0	111	Q141 T143 L150 L152 L158 A204	Q141-I195 HydrophobicContact CB-CD1 4.1Å; Q141-I195 HydrophobicContact CB-CG1 4.12Å; T143-I195 HydrophobicContact CG2-CB 4.2Å; T143-I195 HydrophobicContact CG2-CD1 3.86Å; T143-I195 HydrophobicContact CG2-CG1 3.78Å; L150-I195 HydrophobicContact CB-CD1 4.01Å; L152-I195 HydrophobicContact CB-CD1 4.14Å; L152-I195 HydrophobicContact CB-CG2 4.31Å; L158-I195 HydrophobicContact CD1-CG2 3.74Å; I195-A204 HydrophobicContact CG2-CB 4.5Å
196	S	95.8	Very high	94.9	Very high	15 Å²	15	12.6 Å²	12.6	11%	0.105	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.5	173.7	-166	0	0	0	0	110.5	M203 C249	S196-M203 PolarHBondContact N-O 3.38Å; S196-M203 PolarHBondContact O-N 3.38Å; S196-C249 PolarHBondContact OG-N 2.97Å; S196-C249 PolarHBondContact OG-SG 3.45Å
197	A	96.1	Very high	94.8	Very high	11 Å²	11	12 Å²	12	9%	0.091	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.6	178.8	0	0	0	0	0	110.7	T143 L150 C249	T143-A197 HydrophobicContact CG2-CB 3.95Å; L150-A197 HydrophobicContact CD1-CB 4.33Å; A197-C249 WeakPolarHBondContact O-CB 3.2Å
198	G	95.2	Very high	94.4	Very high	6 Å²	6	12.4 Å²	12.4	6%	0.062	8%	0.077	C	C	.	.			trans	-99.6	-159.2	169.1	0	0	0	0	0	111.4	G145 A200 H201 G250	G145-G198 WeakPolarHBondContact CA-O 3.46Å; G198-A200 PolarHBondContact O-N 3.01Å; G198-H201 PolarHBondContact N-O 3.43Å; G198-G250 WeakPolarHBondContact CA-O 3.46Å
199	E	94.4	Very high	94.3	Very high	50 Å²	50	11.5 Å²	11.5	23%	0.234	7%	0.07	C	C	.	.	S	Bend	trans	-58.3	-50.8	-178.1	-179.9	172.8	143.7	0	0	112	D146 G251 R303	D146-E199 HydrophobicContact CB-CG 4.12Å; D146-E199 PolarHBondContact N-O 3.45Å; E199-G251 WeakPolarHBondContact CB-O 3.37Å; E199-G251 PolarHBondContact N-O 2.95Å; E199-G251 VanDerWaalsContact N-O 3.13Å; E199-R303 IonicContact OE1-NH2 3.7Å; E199-R303 IonicContact OE2-CZ 3.41Å; E199-R303 IonicContact OE2-NE 3.37Å; E199-R303 IonicContact OE2-NH2 3.78Å; E199-R303 PolarHBondContact OE2-NH2 3.23Å
200	A	96.5	Very high	94.2	Very high	9 Å²	9	11.9 Å²	11.9	7%	0.074	7%	0.07	C	C	.	.	S	Bend	trans	-143.3	26.3	-176.7	0	0	0	0	0	112.4	Q168 G198 K216	Q168-A200 WeakPolarHBondContact CB-O 3.45Å; G198-A200 PolarHBondContact O-N 3.01Å; A200-K216 HydrophobicContact CB-CB 3.87Å; A200-K216 HydrophobicContact CB-CD 4.12Å; A200-K216 VanDerWaalsContact O-CB 3.28Å; A200-K216 WeakPolarHBondContact O-CB 3.36Å; A200-K216 PolarHBondContact O-N 3.07Å
201	H	98.1	Very high	94.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.3	174.3	71.3	-75.2	0	0	0	110.6	G198 W214 Q221 L222 S254	G198-H201 PolarHBondContact N-O 3.43Å; H201-W214 CarbonylContact C-O 3.15Å; H201-W214 WeakPolarHBondContact CA-O 3.1Å; H201-W214 WeakPolarHBondContact CB-O 3.39Å; H201-Q221 HydrophobicContact CB-CG 4.38Å; H201-L222 HydrophobicContact CB-CD2 3.83Å; H201-S254 PolarHBondContact NE2-OG 3.48Å
202	S	98.4	Very high	94.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.4	-173.2	-66	0	0	0	0	109.4	H148 Q168 S213 W214	H148-S202 PolarHBondContact NE2-OG 3.1Å; Q168-S202 PolarHBondContact O-OG 2.91Å; S202-S213 WeakPolarHBondContact O-CA 3.15Å; S202-W214 VanDerWaalsContact CB-CZ2 3.4Å; S202-W214 VanDerWaalsContact CB-NE1 3.35Å; S202-W214 PolarHBondContact N-O 3.35Å; S202-W214 PolarHBondContact O-N 2.93Å
203	M	98.1	Very high	94.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.3	178.2	-59.9	-174.4	74	0	0	111.4	S196 V211 Y212 I236 L247 S254 L256 F266	S196-M203 PolarHBondContact N-O 3.38Å; S196-M203 PolarHBondContact O-N 3.38Å; M203-V211 HydrophobicContact CE-CG1 3.34Å; M203-Y212 CarbonylContact C-O 3.53Å; M203-Y212 WeakPolarHBondContact CA-O 3.47Å; M203-I236 HydrophobicContact CE-CD1 3.9Å; M203-L247 HydrophobicContact CB-CD1 3.98Å; M203-S254 PolarHBondContact SD-OG 3.43Å; M203-L256 HydrophobicContact CE-CD2 4.06Å; M203-F266 HydrophobicContact CE-CZ 3.87Å
204	A	97.1	Very high	94.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.5	172.8	0	0	0	0	0	110.7	L187 L192 Q194 I195 Y212 W214	L187-A204 HydrophobicContact CD1-CB 4.21Å; L192-A204 HydrophobicContact CD1-CB 4.4Å; L192-A204 HydrophobicContact CD2-CB 3.91Å; Q194-A204 CarbonylContact O-C 3.56Å; Q194-A204 WeakPolarHBondContact O-CA 3.33Å; I195-A204 HydrophobicContact CG2-CB 4.5Å; A204-Y212 PolarHBondContact N-O 3.18Å; A204-Y212 PolarHBondContact O-N 2.94Å; A204-W214 HydrophobicContact CB-CH2 3.99Å; A204-W214 HydrophobicContact CB-CZ3 4.01Å
205	L	94.4	Very high	95	Very high	5 Å²	5	9.6 Å²	9.6	3%	0.026	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.9	176.2	176.2	63.2	0	0	0	108.6	A193 Q194 N210 V211 V244 E245 L247	A193-L205 PolarHBondContact N-O 2.94Å; Q194-L205 HydrophobicContact CB-CB 4.04Å; Q194-L205 HydrophobicContact CB-CD2 4.32Å; Q194-L205 PolarHBondContact N-O 3.5Å; Q194-L205 PolarHBondContact O-N 3.31Å; L205-N210 WeakPolarHBondContact CA-O 3.31Å; L205-V211 HydrophobicContact CD1-CG2 4.05Å; L205-V244 HydrophobicContact CD1-CB 3.9Å; L205-V244 HydrophobicContact CD1-CG1 3.86Å; L205-V244 HydrophobicContact CD2-CG1 4.48Å; L205-E245 WeakPolarHBondContact CD2-O 3.36Å; L205-L247 HydrophobicContact CB-CD1 3.65Å; L205-L247 HydrophobicContact CB-CD2 4.35Å; L205-L247 HydrophobicContact CB-CG 3.85Å; L205-L247 HydrophobicContact CD2-CG 4.47Å
206	S	93	Very high	95.1	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160.2	170.2	74.4	0	0	0	0	111.8	P191 S208 G209 N210 E484	P191-S206 CarbonylContact O-C 3.42Å; P191-S206 WeakPolarHBondContact O-CA 3.28Å; S206-S208 PolarHBondContact O-N 3.13Å; S206-S208 PolarHBondContact OG-N 3.42Å; S206-S208 PolarHBondContact OG-OG 3.37Å; S206-G209 PolarHBondContact O-N 2.79Å; S206-N210 PolarHBondContact N-O 3.08Å; S206-N210 WeakPolarHBondContact OG-CB 3.02Å; S206-N210 PolarHBondContact OG-N 2.88Å; S206-N210 VanDerWaalsContact OG-N 3.17Å; S206-N210 PolarHBondContact OG-O 3.49Å; S206-E484 WeakPolarHBondContact CB-OE2 3.4Å; S206-E484 PolarHBondContact OG-OE1 3.48Å; S206-E484 PolarHBondContact OG-OE2 2.51Å; S206-E484 VanDerWaalsContact OG-OE2 3.07Å
207	M	89.9	Confident	95.2	Very high	61 Å²	61	10.1 Å²	10.1	30%	0.3	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.8	175.5	-70.4	-173.3	68	0	0	113	P191 A193 G209 I387 T389 L429	P191-M207 HydrophobicContact CB-CB 4.31Å; P191-M207 HydrophobicContact CB-CG 4.36Å; P191-M207 HydrophobicContact CB-SD 4.36Å; P191-M207 WeakPolarHBondContact O-CG 3.41Å; P191-M207 PolarHBondContact O-N 3.03Å; A193-M207 HydrophobicContact CB-CG 3.89Å; M207-G209 VanDerWaalsContact C-N 3.3Å; M207-I387 HydrophobicContact SD-CD1 3.85Å; M207-I387 HydrophobicContact SD-CG1 3.73Å; M207-T389 HydrophobicContact CE-CG2 3.87Å; M207-T389 HydrophobicContact SD-CG2 4.11Å; M207-L429 HydrophobicContact CB-CD1 3.53Å
208	S	85.8	Confident	95.3	Very high	11 Å²	11	14.1 Å²	14.1	8%	0.077	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.7	174	72	0	0	0	0	113	S206 E484	S206-S208 PolarHBondContact O-N 3.13Å; S206-S208 PolarHBondContact OG-N 3.42Å; S206-S208 PolarHBondContact OG-OG 3.37Å; S208-E484 WeakPolarHBondContact CB-OE2 3.35Å; S208-E484 PolarHBondContact OG-OE1 3.16Å; S208-E484 PolarHBondContact OG-OE2 3.38Å
209	G	88.7	Confident	95.4	Very high	4 Å²	4	17.1 Å²	17.1	4%	0.041	8%	0.084	C	C	.	.	S	Bend	trans	96.8	4.4	-179.3	0	0	0	0	0	114.4	S206 M207	S206-G209 PolarHBondContact O-N 2.79Å; M207-G209 VanDerWaalsContact C-N 3.3Å
210	N	91.2	Very high	95.6	Very high	15 Å²	15	14.7 Å²	14.7	8%	0.08	7%	0.073	C	C	.	.			trans	-78.1	145.9	176.1	-73	-18.8	0	0	0	111.5	L205 S206 Y212 L235 R432 E484	L205-N210 WeakPolarHBondContact CA-O 3.31Å; S206-N210 PolarHBondContact N-O 3.08Å; S206-N210 WeakPolarHBondContact OG-CB 3.02Å; S206-N210 PolarHBondContact OG-N 2.88Å; S206-N210 VanDerWaalsContact OG-N 3.17Å; S206-N210 PolarHBondContact OG-O 3.49Å; N210-Y212 HydrophobicContact CB-CE2 4.25Å; N210-L235 HydrophobicContact CB-CD1 3.73Å; N210-R432 PolarHBondContact OD1-NH2 2.65Å; N210-E484 WeakPolarHBondContact CB-OE1 3.47Å; N210-E484 VanDerWaalsContact CG-OE1 3.3Å; N210-E484 PolarHBondContact ND2-OE1 3.46Å
211	V	95.3	Very high	95.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126	-175.6	-174.3	0	0	0	0	109.6	M203 L205 I236 L239 V244 L247 L256	M203-V211 HydrophobicContact CE-CG1 3.34Å; L205-V211 HydrophobicContact CD1-CG2 4.05Å; V211-I236 HydrophobicContact CB-CD1 4.19Å; V211-I236 HydrophobicContact CG1-CD1 3.76Å; V211-I236 HydrophobicContact CG1-CG1 4.49Å; V211-I236 PolarHBondContact O-N 2.96Å; V211-L239 HydrophobicContact CG2-CD1 4.23Å; V211-V244 HydrophobicContact CG2-CB 3.94Å; V211-V244 HydrophobicContact CG2-CG1 3.95Å; V211-V244 HydrophobicContact CG2-CG2 3.83Å; V211-L247 HydrophobicContact CG1-CD1 4.5Å; V211-L247 HydrophobicContact CG1-CD2 3.92Å; V211-L247 HydrophobicContact CG2-CD2 4.02Å; V211-L256 HydrophobicContact CG1-CD2 4.27Å; V211-L256 HydrophobicContact CG2-CD2 4.47Å
212	Y	96.9	Very high	95.7	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.008	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	175.8	-58.5	-86.7	0	0	0	109.7	L187 V190 M203 A204 N210 S234 L235 H482 E484	L187-Y212 HydrophobicContact CD2-CD1 3.84Å; L187-Y212 HydrophobicContact CD2-CD2 3.83Å; L187-Y212 HydrophobicContact CD2-CE1 4.2Å; L187-Y212 HydrophobicContact CD2-CE2 4.18Å; L187-Y212 HydrophobicContact CD2-CG 3.63Å; V190-Y212 HydrophobicContact CG1-CE2 3.79Å; M203-Y212 CarbonylContact C-O 3.53Å; M203-Y212 WeakPolarHBondContact CA-O 3.47Å; A204-Y212 PolarHBondContact N-O 3.18Å; A204-Y212 PolarHBondContact O-N 2.94Å; N210-Y212 HydrophobicContact CB-CE2 4.25Å; Y212-S234 CarbonylContact C-O 3.5Å; Y212-S234 VanDerWaalsContact CA-O 3.26Å; Y212-S234 WeakPolarHBondContact CA-O 3.2Å; Y212-L235 HydrophobicContact CD1-CB 4.19Å; Y212-L235 HydrophobicContact CD1-CD1 4.33Å; Y212-L235 HydrophobicContact CE1-CB 4.02Å; Y212-L235 HydrophobicContact CE1-CD1 3.92Å; Y212-H482 AromaticContact CD1-CE1 3.84Å; Y212-H482 AromaticContact CD1-NE2 3.83Å; Y212-H482 HydrophobicContact CE1-CB 4.23Å; Y212-H482 AromaticContact CE1-CD2 3.74Å; Y212-H482 AromaticContact CE1-CE1 3.7Å; Y212-H482 AromaticContact CE1-CG 3.59Å; Y212-H482 AromaticContact CE1-ND1 3.58Å; Y212-H482 AromaticContact CE1-NE2 3.81Å; Y212-E484 PolarHBondContact OH-OE1 3.34Å
213	S	98	Very high	95.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.2	-180	66.4	0	0	0	0	111.8	S202 L222 S234	S202-S213 WeakPolarHBondContact O-CA 3.15Å; S213-L222 WeakPolarHBondContact OG-CB 3.34Å; S213-L222 PolarHBondContact OG-O 3.28Å; S213-S234 PolarHBondContact N-O 3.35Å; S213-S234 PolarHBondContact O-N 2.97Å
214	W	98.3	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.8	177	63.3	97.3	0	0	0	112.2	L150 L158 Q168 G170 L187 H201 S202 A204 L222 S232 P233	L150-W214 HydrophobicContact CD1-CZ2 4.45Å; L150-W214 HydrophobicContact CD2-CZ2 4.48Å; L158-W214 HydrophobicContact CD2-CH2 3.68Å; L158-W214 HydrophobicContact CD2-CZ2 3.9Å; Q168-W214 PolarHBondContact O-NE1 2.9Å; G170-W214 VanDerWaalsContact N-CD1 3.27Å; L187-W214 HydrophobicContact CD1-CH2 3.94Å; L187-W214 HydrophobicContact CD1-CZ3 3.9Å; H201-W214 CarbonylContact C-O 3.15Å; H201-W214 WeakPolarHBondContact CA-O 3.1Å; H201-W214 WeakPolarHBondContact CB-O 3.39Å; S202-W214 VanDerWaalsContact CB-CZ2 3.4Å; S202-W214 VanDerWaalsContact CB-NE1 3.35Å; S202-W214 PolarHBondContact N-O 3.35Å; S202-W214 PolarHBondContact O-N 2.93Å; A204-W214 HydrophobicContact CB-CH2 3.99Å; A204-W214 HydrophobicContact CB-CZ3 4.01Å; W214-L222 WeakPolarHBondContact O-CD2 3.5Å; W214-S232 WeakPolarHBondContact CB-O 3.37Å; W214-P233 HydrophobicContact CD2-CB 4.24Å; W214-P233 HydrophobicContact CD2-CG 3.86Å; W214-P233 HydrophobicContact CE3-CB 3.69Å; W214-P233 HydrophobicContact CE3-CG 3.74Å; W214-P233 HydrophobicContact CG-CG 4.39Å; W214-P233 HydrophobicContact CZ3-CB 4.1Å; W214-P233 HydrophobicContact CZ3-CG 4.09Å
215	G	98.1	Very high	95.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-146.2	-176.6	0	0	0	0	0	113	H166 S229 K230	H166-G215 CarbonylContact O-C 3.54Å; H166-G215 VanDerWaalsContact O-C 3.3Å; H166-G215 WeakPolarHBondContact O-CA 3.4Å; G215-S229 CarbonylContact O-C 3.42Å; G215-S229 VanDerWaalsContact O-CA 3.27Å; G215-S229 WeakPolarHBondContact O-CA 3.26Å; G215-S229 VanDerWaalsContact O-CB 3.24Å; G215-S229 WeakPolarHBondContact O-CB 3.44Å; G215-K230 VanDerWaalsContact CA-O 3.3Å; G215-K230 WeakPolarHBondContact CA-O 3.33Å; G215-K230 PolarHBondContact N-O 3Å; G215-K230 PolarHBondContact O-N 2.76Å; G215-K230 VanDerWaalsContact O-N 3.08Å
216	K	98.1	Very high	95.7	Very high	35 Å²	35	19.9 Å²	19.9	15%	0.152	10%	0.104	C	C	.	.			trans	-64.8	136.3	-177.5	-168.9	174.3	-177.5	175.3	0	111.3	H166 A200 E218 Q221	H166-K216 HydrophobicContact CB-CB 3.76Å; H166-K216 HydrophobicContact CB-CG 4.43Å; A200-K216 HydrophobicContact CB-CB 3.87Å; A200-K216 HydrophobicContact CB-CD 4.12Å; A200-K216 VanDerWaalsContact O-CB 3.28Å; A200-K216 WeakPolarHBondContact O-CB 3.36Å; A200-K216 PolarHBondContact O-N 3.07Å; K216-E218 VanDerWaalsContact CE-OE1 3.3Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 WeakPolarHBondContact CE-OE2 3.43Å; K216-E218 IonicContact NZ-OE1 3.08Å; K216-E218 IonicContact NZ-OE2 3.45Å; K216-E218 PolarHBondContact NZ-OE2 2.93Å; K216-Q221 WeakPolarHBondContact O-CG 3.34Å; K216-Q221 PolarHBondContact O-NE2 3.39Å
217	N	98.1	Very high	95.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.			trans	-139	16.4	-176.8	-161.9	29.5	0	0	0	115.5	F219 G220 Q221 L222 H226 T227 E228 S229	N217-F219 PolarHBondContact O-N 2.98Å; N217-G220 PolarHBondContact O-N 3.35Å; N217-G220 WeakPolarHBondContact OD1-CA 3.27Å; N217-Q221 VanDerWaalsContact CA-OE1 3.23Å; N217-Q221 PolarHBondContact OD1-N 3.36Å; N217-L222 HydrophobicContact CB-CB 4.35Å; N217-L222 HydrophobicContact CB-CD1 3.62Å; N217-L222 HydrophobicContact CB-CG 3.64Å; N217-L222 VanDerWaalsContact CG-CG 3.49Å; N217-L222 VanDerWaalsContact OD1-CB 3.31Å; N217-L222 WeakPolarHBondContact OD1-CB 3.43Å; N217-L222 WeakPolarHBondContact OD1-CG 3.47Å; N217-L222 PolarHBondContact OD1-N 3.02Å; N217-H226 PolarHBondContact ND2-ND1 3.43Å; N217-H226 PolarHBondContact ND2-O 2.63Å; N217-T227 CarbonylContact C-O 3.16Å; N217-T227 VanDerWaalsContact C-O 3.3Å; N217-T227 CarbonylContact O-C 3.58Å; N217-T227 VanDerWaalsContact O-CA 3.24Å; N217-T227 WeakPolarHBondContact O-CA 3.37Å; N217-E228 WeakPolarHBondContact CB-O 3.21Å; N217-E228 PolarHBondContact ND2-O 3.09Å; N217-S229 PolarHBondContact N-OG 2.96Å; N217-S229 VanDerWaalsContact N-OG 3.12Å
218	E	98.1	Very high	96.3	Very high	95 Å²	95	26.6 Å²	26.6	44%	0.444	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.1	-175.7	-70.2	171.7	-172.2	0	0	114.4	K216	K216-E218 VanDerWaalsContact CE-OE1 3.3Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 WeakPolarHBondContact CE-OE2 3.43Å; K216-E218 IonicContact NZ-OE1 3.08Å; K216-E218 IonicContact NZ-OE2 3.45Å; K216-E218 PolarHBondContact NZ-OE2 2.93Å
219	F	98	Very high	96.8	Very high	68 Å²	68	27.8 Å²	27.8	30%	0.298	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	8.2	-179.8	-52.4	-66.1	0	0	0	113	N217 G267 A268	N217-F219 PolarHBondContact O-N 2.98Å; F219-G267 CarbonylContact O-C 3.49Å; F219-G267 VanDerWaalsContact O-CA 3.24Å; F219-G267 WeakPolarHBondContact O-CA 3.37Å; F219-A268 HydrophobicContact CB-CB 3.83Å; F219-A268 HydrophobicContact CD2-CB 4.19Å; F219-A268 HydrophobicContact CG-CB 3.96Å
220	G	97.6	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	81.2	14.9	-176.2	0	0	0	0	0	114.7	N217 L222 G223	N217-G220 PolarHBondContact O-N 3.35Å; N217-G220 WeakPolarHBondContact OD1-CA 3.27Å; G220-L222 PolarHBondContact O-N 2.93Å; G220-G223 PolarHBondContact O-N 3.36Å
221	Q	97.8	Very high	97.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.3	-176.6	64.3	-98.5	54.8	0	0	114.9	H201 K216 N217 S252 S254 F266	H201-Q221 HydrophobicContact CB-CG 4.38Å; K216-Q221 WeakPolarHBondContact O-CG 3.34Å; K216-Q221 PolarHBondContact O-NE2 3.39Å; N217-Q221 VanDerWaalsContact CA-OE1 3.23Å; N217-Q221 PolarHBondContact OD1-N 3.36Å; Q221-S252 WeakPolarHBondContact CB-O 3.34Å; Q221-S254 PolarHBondContact O-OG 2.92Å; Q221-F266 WeakPolarHBondContact O-CE2 3.35Å
222	L	98.2	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.3	170.4	-57.3	-170.6	0	0	0	113.2	H201 S213 W214 N217 G220 L224 K230 I236 F266	H201-L222 HydrophobicContact CB-CD2 3.83Å; S213-L222 WeakPolarHBondContact OG-CB 3.34Å; S213-L222 PolarHBondContact OG-O 3.28Å; W214-L222 WeakPolarHBondContact O-CD2 3.5Å; N217-L222 HydrophobicContact CB-CB 4.35Å; N217-L222 HydrophobicContact CB-CD1 3.62Å; N217-L222 HydrophobicContact CB-CG 3.64Å; N217-L222 VanDerWaalsContact CG-CG 3.49Å; N217-L222 VanDerWaalsContact OD1-CB 3.31Å; N217-L222 WeakPolarHBondContact OD1-CB 3.43Å; N217-L222 WeakPolarHBondContact OD1-CG 3.47Å; N217-L222 PolarHBondContact OD1-N 3.02Å; G220-L222 PolarHBondContact O-N 2.93Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 HydrophobicContact CB-CD1 3.95Å; L222-L224 HydrophobicContact CB-CG 3.9Å; L222-L224 HydrophobicContact CD1-CD1 4.03Å; L222-L224 PolarHBondContact O-N 3.36Å; L222-K230 HydrophobicContact CD1-CB 4.08Å; L222-K230 HydrophobicContact CD1-CG 4.13Å; L222-I236 WeakPolarHBondContact O-CD1 3.44Å; L222-I236 WeakPolarHBondContact O-CG1 3.21Å; L222-F266 VanDerWaalsContact C-CE2 3.46Å
223	G	97.2	Very high	97.5	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	18%	0.178	C	C	.	.			trans	77	12.4	176.3	0	0	0	0	0	114.8	G220 G225 F266 L283 P285	G220-G223 PolarHBondContact O-N 3.36Å; G223-G225 VanDerWaalsContact C-N 3.3Å; G223-G225 PolarHBondContact O-N 3.33Å; G223-F266 VanDerWaalsContact CA-CE2 3.46Å; G223-F266 VanDerWaalsContact N-CE2 3.3Å; G223-L283 CarbonylContact C-O 3.4Å; G223-L283 VanDerWaalsContact CA-O 3.26Å; G223-L283 WeakPolarHBondContact CA-O 3.49Å; G223-P285 WeakPolarHBondContact O-CD 3.43Å
224	L	96.8	Very high	97.3	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.178	19%	0.186	C	C	.	.	S	Bend	trans	-83.6	1.3	-173.2	-57.7	174.6	0	0	0	114	L222 H226 K230 L235 I236 L283	L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 HydrophobicContact CB-CD1 3.95Å; L222-L224 HydrophobicContact CB-CG 3.9Å; L222-L224 HydrophobicContact CD1-CD1 4.03Å; L222-L224 PolarHBondContact O-N 3.36Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 2.71Å; L224-K230 HydrophobicContact CD1-CG 3.68Å; L224-L235 WeakPolarHBondContact CD2-O 3.37Å; L224-I236 HydrophobicContact CD2-CG1 4.18Å; L224-L283 PolarHBondContact N-O 2.9Å
225	G	97.3	Very high	97.1	Very high	29 Å²	29	37.1 Å²	37.1	30%	0.299	20%	0.199	S	C	.	.	S	Bend	trans	80.5	6.7	-178.5	0	0	0	0	0	115.5	G223 L283	G223-G225 VanDerWaalsContact C-N 3.3Å; G223-G225 PolarHBondContact O-N 3.33Å; G225-L283 WeakPolarHBondContact CA-O 3.41Å; G225-L283 PolarHBondContact N-O 3.34Å
226	H	97.1	Very high	97	Very high	57 Å²	57	37.3 Å²	37.3	26%	0.264	20%	0.2	S	C	.	.	S	Bend	trans	-142.2	174.9	176	62.6	60.8	0	0	0	110.3	N217 L224 E228 K230	N217-H226 PolarHBondContact ND2-ND1 3.43Å; N217-H226 PolarHBondContact ND2-O 2.63Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 2.71Å; H226-E228 PolarHBondContact CE1-O 3.12Å; H226-E228 PolarHBondContact ND1-N 2.77Å; H226-E228 VanDerWaalsContact ND1-N 3.19Å; H226-E228 PolarHBondContact ND1-O 3.25Å; H226-K230 WeakPolarHBondContact NE2-CE 3.41Å
227	T	97.8	Very high	96.5	Very high	76 Å²	76	42.3 Å²	42.3	47%	0.466	22%	0.224	S	C	.	.			trans	-104.5	3.3	-178.3	52.5	0	0	0	0	114.6	N217 L283	N217-T227 CarbonylContact C-O 3.16Å; N217-T227 VanDerWaalsContact C-O 3.3Å; N217-T227 CarbonylContact O-C 3.58Å; N217-T227 VanDerWaalsContact O-CA 3.24Å; N217-T227 WeakPolarHBondContact O-CA 3.37Å; T227-L283 HydrophobicContact CG2-CD1 4.4Å; T227-L283 HydrophobicContact CG2-CD2 3.7Å
228	E	97.6	Very high	95.9	Very high	128 Å²	128	45.2 Å²	45.2	60%	0.598	25%	0.247	S	C	*	.			trans	-70.9	131.9	177.3	-59.3	-175.6	170	0	0	112.7	N217 H226	N217-E228 WeakPolarHBondContact CB-O 3.21Å; N217-E228 PolarHBondContact ND2-O 3.09Å; H226-E228 PolarHBondContact CE1-O 3.12Å; H226-E228 PolarHBondContact ND1-N 2.77Å; H226-E228 VanDerWaalsContact ND1-N 3.19Å; H226-E228 PolarHBondContact ND1-O 3.25Å
229	S	97.3	Very high	95	Very high	37 Å²	37	41 Å²	41	26%	0.259	23%	0.228	S	C	.	.			trans	-75.8	136.3	176.5	-61.1	0	0	0	0	110.9	G215 N217	G215-S229 CarbonylContact O-C 3.42Å; G215-S229 VanDerWaalsContact O-CA 3.27Å; G215-S229 WeakPolarHBondContact O-CA 3.26Å; G215-S229 VanDerWaalsContact O-CB 3.24Å; G215-S229 WeakPolarHBondContact O-CB 3.44Å; N217-S229 PolarHBondContact N-OG 2.96Å; N217-S229 VanDerWaalsContact N-OG 3.12Å
230	K	97.4	Very high	93.5	Very high	59 Å²	59	41.7 Å²	41.7	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.2	-179.3	-63.5	-65.6	-174.8	-174.3	0	110.7	G215 L222 L224 H226	G215-K230 VanDerWaalsContact CA-O 3.3Å; G215-K230 WeakPolarHBondContact CA-O 3.33Å; G215-K230 PolarHBondContact N-O 3Å; G215-K230 PolarHBondContact O-N 2.76Å; G215-K230 VanDerWaalsContact O-N 3.08Å; L222-K230 HydrophobicContact CD1-CB 4.08Å; L222-K230 HydrophobicContact CD1-CG 4.13Å; L224-K230 HydrophobicContact CD1-CG 3.68Å; H226-K230 WeakPolarHBondContact NE2-CE 3.41Å
231	D	95.9	Very high	92.2	Very high	50 Å²	50	48.1 Å²	48.1	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	4.8	178.4	67	-15.2	0	0	0	114.3	G170 G172 R173	G170-D231 CarbonylContact C-O 3.54Å; G170-D231 VanDerWaalsContact CA-O 3.23Å; G170-D231 WeakPolarHBondContact CA-O 3.41Å; G172-D231 WeakPolarHBondContact CA-O 3.47Å; G172-D231 WeakPolarHBondContact CA-OD2 3.27Å; G172-D231 PolarHBondContact N-O 2.81Å; R173-D231 HydrophobicContact CG-CB 3.65Å; R173-D231 WeakPolarHBondContact CG-OD2 3.35Å; R173-D231 PolarHBondContact N-OD2 2.79Å; R173-D231 VanDerWaalsContact N-OD2 3.14Å
232	S	95.4	Very high	91.5	Very high	28 Å²	28	50.4 Å²	50.4	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.7	172.3	45.9	0	0	0	0	109.3	W214 S234	W214-S232 WeakPolarHBondContact CB-O 3.37Å; S232-S234 PolarHBondContact O-N 2.91Å; S232-S234 PolarHBondContact O-OG 2.95Å
233	P	96.8	Very high	90.9	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	126.7	173.2	-28.8	36.2	0	0	0	112.5	V184 H186 L187 W214 H482	V184-P233 HydrophobicContact CG1-CG 3.55Å; H186-P233 HydrophobicContact CB-CG 4.31Å; L187-P233 HydrophobicContact CD1-CB 3.77Å; L187-P233 HydrophobicContact CD1-CG 3.62Å; L187-P233 HydrophobicContact CD2-CB 3.94Å; L187-P233 HydrophobicContact CG-CB 3.67Å; L187-P233 HydrophobicContact CG-CG 3.7Å; W214-P233 HydrophobicContact CD2-CB 4.24Å; W214-P233 HydrophobicContact CD2-CG 3.86Å; W214-P233 HydrophobicContact CE3-CB 3.69Å; W214-P233 HydrophobicContact CE3-CG 3.74Å; W214-P233 HydrophobicContact CG-CG 4.39Å; W214-P233 HydrophobicContact CZ3-CB 4.1Å; W214-P233 HydrophobicContact CZ3-CG 4.09Å; P233-H482 PolarHBondContact O-CE1 2.85Å; P233-H482 PolarHBondContact O-NE2 3.3Å
234	S	95.8	Very high	90.6	Very high	24 Å²	24	53.7 Å²	53.7	17%	0.168	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.6	179.3	-60.9	0	0	0	0	110.1	Y212 S213 S232	Y212-S234 CarbonylContact C-O 3.5Å; Y212-S234 VanDerWaalsContact CA-O 3.26Å; Y212-S234 WeakPolarHBondContact CA-O 3.2Å; S213-S234 PolarHBondContact N-O 3.35Å; S213-S234 PolarHBondContact O-N 2.97Å; S232-S234 PolarHBondContact O-N 2.91Å; S232-S234 PolarHBondContact O-OG 2.95Å
235	L	94	Very high	90.3	Very high	53 Å²	53	55.9 Å²	55.9	28%	0.277	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.6	179.3	178.9	65.1	0	0	0	110.8	N210 Y212 L224 E237	N210-L235 HydrophobicContact CB-CD1 3.73Å; Y212-L235 HydrophobicContact CD1-CB 4.19Å; Y212-L235 HydrophobicContact CD1-CD1 4.33Å; Y212-L235 HydrophobicContact CE1-CB 4.02Å; Y212-L235 HydrophobicContact CE1-CD1 3.92Å; L224-L235 WeakPolarHBondContact CD2-O 3.37Å; L235-E237 HydrophobicContact CD2-CG 4.38Å; L235-E237 HydrophobicContact CG-CG 4.43Å; L235-E237 PolarHBondContact O-N 3.01Å
236	I	94.6	Very high	90.1	Very high	4 Å²	4	58 Å²	58	2%	0.021	31%	0.305	C	S	.	.			trans	-91	94.3	171.4	-54.3	178.6	0	0	0	109.6	M203 V211 L222 L224 A238 L239 F266 P285	M203-I236 HydrophobicContact CE-CD1 3.9Å; V211-I236 HydrophobicContact CB-CD1 4.19Å; V211-I236 HydrophobicContact CG1-CD1 3.76Å; V211-I236 HydrophobicContact CG1-CG1 4.49Å; V211-I236 PolarHBondContact O-N 2.96Å; L222-I236 WeakPolarHBondContact O-CD1 3.44Å; L222-I236 WeakPolarHBondContact O-CG1 3.21Å; L224-I236 HydrophobicContact CD2-CG1 4.18Å; I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 HydrophobicContact CG2-CB 4.43Å; I236-A238 PolarHBondContact O-N 3.42Å; I236-L239 HydrophobicContact CB-CD1 4.39Å; I236-L239 HydrophobicContact CG2-CD1 3.93Å; I236-L239 HydrophobicContact CG2-CG 4.29Å; I236-F266 HydrophobicContact CD1-CE2 4.4Å; I236-F266 HydrophobicContact CD1-CZ 3.95Å; I236-P285 HydrophobicContact CG2-CG 3.73Å
237	E	87.9	Confident	90.1	Very high	140 Å²	140	55.4 Å²	55.4	65%	0.654	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-71	-19.8	-176.9	-61.4	177.1	169.2	0	0	113.9	L235 L239 D240	L235-E237 HydrophobicContact CD2-CG 4.38Å; L235-E237 HydrophobicContact CG-CG 4.43Å; L235-E237 PolarHBondContact O-N 3.01Å; E237-L239 PolarHBondContact O-N 2.72Å; E237-D240 PolarHBondContact O-N 2.69Å
238	A	85.5	Confident	90	Very high	60 Å²	60	52.2 Å²	52.2	50%	0.496	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.2	-3.2	-178.9	0	0	0	0	0	114.3	I236	I236-A238 VanDerWaalsContact C-N 3.3Å; I236-A238 HydrophobicContact CG2-CB 4.43Å; I236-A238 PolarHBondContact O-N 3.42Å
239	L	79.4	Confident	89.9	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.042	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-117	12.2	-174.2	-63.8	167.1	0	0	0	113.5	V211 I236 E237 N241 Q242 V244 L256 P285	V211-L239 HydrophobicContact CG2-CD1 4.23Å; I236-L239 HydrophobicContact CB-CD1 4.39Å; I236-L239 HydrophobicContact CG2-CD1 3.93Å; I236-L239 HydrophobicContact CG2-CG 4.29Å; E237-L239 PolarHBondContact O-N 2.72Å; L239-N241 PolarHBondContact O-N 3.05Å; L239-Q242 HydrophobicContact CB-CB 4.48Å; L239-Q242 HydrophobicContact CD2-CB 4.29Å; L239-Q242 HydrophobicContact CD2-CG 4.47Å; L239-Q242 PolarHBondContact O-N 3.05Å; L239-V244 HydrophobicContact CD1-CG2 4.14Å; L239-L256 HydrophobicContact CD1-CD1 3.28Å; L239-L256 HydrophobicContact CD2-CD1 4.33Å; L239-L256 HydrophobicContact CG-CD1 4.42Å; L239-P285 HydrophobicContact CD1-CB 4.48Å; L239-P285 HydrophobicContact CD1-CG 3.99Å; L239-P285 HydrophobicContact CD2-CB 3.88Å; L239-P285 HydrophobicContact CD2-CG 4.18Å; L239-P285 HydrophobicContact CG-CB 4.31Å; L239-P285 HydrophobicContact CG-CG 4.04Å
240	D	66.8	Low	89.8	Confident	81 Å²	81	45.2 Å²	45.2	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	-171.3	-72.9	-13.4	0	0	0	114.3	E237 R432	E237-D240 PolarHBondContact O-N 2.69Å; D240-R432 PolarHBondContact O-NH1 3.29Å
241	N	70.3	Confident	89.6	Confident	135 Å²	135	42.7 Å²	42.7	72%	0.722	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	0.8	176.9	-67.4	-36.8	0	0	0	115.3	L239	L239-N241 PolarHBondContact O-N 3.05Å
242	Q	82.5	Confident	89.7	Confident	50 Å²	50	40.6 Å²	40.6	23%	0.234	22%	0.22	C	C	.	.	S	Bend	trans	-113.5	125.2	-175.4	-62.2	-59.8	-37.4	0	0	110	L239 V244 T258 F264	L239-Q242 HydrophobicContact CB-CB 4.48Å; L239-Q242 HydrophobicContact CD2-CB 4.29Å; L239-Q242 HydrophobicContact CD2-CG 4.47Å; L239-Q242 PolarHBondContact O-N 3.05Å; Q242-V244 PolarHBondContact O-N 3.16Å; Q242-T258 HydrophobicContact CB-CG2 4.09Å; Q242-F264 HydrophobicContact CG-CE2 4.31Å; Q242-F264 HydrophobicContact CG-CZ 4.06Å
243	K	84.9	Confident	89.8	Confident	65 Å²	65	39.3 Å²	39.3	28%	0.283	21%	0.21	S	C	.	.			trans	-88.5	95.3	177	-171.6	172.6	172.3	-162.3	0	110.6	T258 Q259	K243-T258 CarbonylContact O-C 3.18Å; K243-T258 WeakPolarHBondContact O-CA 3.36Å; K243-T258 WeakPolarHBondContact O-CB 3.41Å; K243-Q259 VanDerWaalsContact CD-OE1 3.25Å; K243-Q259 VanDerWaalsContact CE-OE1 3.25Å; K243-Q259 PolarHBondContact O-N 3.43Å
244	V	91.6	Very high	89.9	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.3	175.5	-176	0	0	0	0	109.9	L205 V211 L239 Q242 L247 L256	L205-V244 HydrophobicContact CD1-CB 3.9Å; L205-V244 HydrophobicContact CD1-CG1 3.86Å; L205-V244 HydrophobicContact CD2-CG1 4.48Å; V211-V244 HydrophobicContact CG2-CB 3.94Å; V211-V244 HydrophobicContact CG2-CG1 3.95Å; V211-V244 HydrophobicContact CG2-CG2 3.83Å; L239-V244 HydrophobicContact CD1-CG2 4.14Å; Q242-V244 PolarHBondContact O-N 3.16Å; V244-L247 HydrophobicContact CG1-CD2 3.89Å; V244-L256 HydrophobicContact CG1-CB 4.17Å; V244-L256 HydrophobicContact CG1-CD2 4.49Å; V244-L256 HydrophobicContact CG2-CD1 4.45Å
245	E	91	Very high	90	Very high	81 Å²	81	38 Å²	38	38%	0.379	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-19.5	177.6	69.9	170.6	-165.8	0	0	113.6	L205 L257 Q259	L205-E245 WeakPolarHBondContact CD2-O 3.36Å; E245-L257 HydrophobicContact CG-CG 4.35Å; E245-L257 PolarHBondContact N-O 2.99Å; E245-Q259 WeakPolarHBondContact OE2-CA 3.42Å
246	F	93.6	Very high	90.1	Very high	74 Å²	74	35.4 Å²	35.4	33%	0.325	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	141.7	-178.9	-167	-93.2	0	0	0	113.1	Q194 A248 L257 I299	Q194-F246 VanDerWaalsContact NE2-CE2 3.28Å; F246-A248 HydrophobicContact CE1-CB 4.36Å; F246-L257 HydrophobicContact CB-CB 4.15Å; F246-L257 HydrophobicContact CB-CD2 4.49Å; F246-L257 PolarHBondContact N-O 3.49Å; F246-L257 PolarHBondContact O-N 2.7Å; F246-I299 HydrophobicContact CD1-CD1 4.02Å; F246-I299 HydrophobicContact CD1-CG1 3.56Å; F246-I299 HydrophobicContact CE1-CG1 3.96Å
247	L	95.3	Very high	90.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.7	176.6	-52.5	-178.1	0	0	0	111.6	Q194 M203 L205 V211 V244 L256	Q194-L247 PolarHBondContact NE2-O 2.87Å; Q194-L247 VanDerWaalsContact NE2-O 3.09Å; M203-L247 HydrophobicContact CB-CD1 3.98Å; L205-L247 HydrophobicContact CB-CD1 3.65Å; L205-L247 HydrophobicContact CB-CD2 4.35Å; L205-L247 HydrophobicContact CB-CG 3.85Å; L205-L247 HydrophobicContact CD2-CG 4.47Å; V211-L247 HydrophobicContact CG1-CD1 4.5Å; V211-L247 HydrophobicContact CG1-CD2 3.92Å; V211-L247 HydrophobicContact CG2-CD2 4.02Å; V244-L247 HydrophobicContact CG1-CD2 3.89Å; L247-L256 HydrophobicContact CD2-CD2 3.22Å
248	A	95.8	Very high	90.4	Very high	9 Å²	9	28.7 Å²	28.7	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	117.8	166	0	0	0	0	0	111.3	F246 A255 I299 C301	F246-A248 HydrophobicContact CE1-CB 4.36Å; A248-A255 PolarHBondContact N-O 3.48Å; A248-A255 PolarHBondContact O-N 3.43Å; A248-I299 HydrophobicContact CB-CD1 3.95Å; A248-I299 HydrophobicContact CB-CG1 4.07Å; A248-C301 HydrophobicContact CB-CB 4.21Å; A248-C301 PolarHBondContact O-SG 2.94Å
249	C	96.1	Very high	90.6	Very high	14 Å²	14	30 Å²	30	10%	0.095	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.3	173.5	-66.6	0	0	0	0	111.3	S196 A197 C301	S196-C249 PolarHBondContact OG-N 2.97Å; S196-C249 PolarHBondContact OG-SG 3.45Å; A197-C249 WeakPolarHBondContact O-CB 3.2Å; C249-C301 WeakPolarHBondContact O-CB 3.24Å
250	G	94.7	Very high	91	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	18%	0.179	C	C	.	.			trans	-96	-160.9	166.1	0	0	0	0	0	111.8	G198 H253 G302	G198-G250 WeakPolarHBondContact CA-O 3.46Å; G250-H253 WeakPolarHBondContact CA-O 3.49Å; G250-H253 PolarHBondContact N-O 3.05Å; G250-G302 WeakPolarHBondContact CA-O 3.31Å
251	G	93.9	Very high	92.2	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	16%	0.158	C	C	.	.	S	Bend	trans	-61.9	-62.3	178.1	0	0	0	0	0	111.8	E199 G302 R303	E199-G251 WeakPolarHBondContact CB-O 3.37Å; E199-G251 PolarHBondContact N-O 2.95Å; E199-G251 VanDerWaalsContact N-O 3.13Å; G251-G302 PolarHBondContact N-O 3.4Å; G251-R303 WeakPolarHBondContact CA-O 3.38Å; G251-R303 PolarHBondContact N-O 3.47Å; G251-R303 VanDerWaalsContact N-O 3.11Å
252	S	97.1	Very high	93.3	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	14%	0.136	C	C	.	.	S	Bend	trans	-128.5	26.6	-179.9	-59	0	0	0	0	112.7	Q221 A268	Q221-S252 WeakPolarHBondContact CB-O 3.34Å; S252-A268 VanDerWaalsContact O-CB 3.25Å; S252-A268 WeakPolarHBondContact O-CB 3.13Å; S252-A268 PolarHBondContact O-N 2.81Å
253	H	98.2	Very high	94	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.5	177.3	75	-73.4	0	0	0	110.3	G250 F266 Q273 L274 T306	G250-H253 WeakPolarHBondContact CA-O 3.49Å; G250-H253 PolarHBondContact N-O 3.05Å; H253-F266 CarbonylContact C-O 3.54Å; H253-F266 VanDerWaalsContact CA-O 3.32Å; H253-F266 WeakPolarHBondContact CA-O 3.39Å; H253-F266 WeakPolarHBondContact CB-O 3.48Å; H253-Q273 HydrophobicContact CB-CG 4.18Å; H253-L274 HydrophobicContact CB-CD2 3.84Å; H253-T306 PolarHBondContact NE2-OG1 3.18Å
254	S	98.3	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.5	-176.4	-58.9	0	0	0	0	109.6	H201 M203 Q221 T265 F266	H201-S254 PolarHBondContact NE2-OG 3.48Å; M203-S254 PolarHBondContact SD-OG 3.43Å; Q221-S254 PolarHBondContact O-OG 2.92Å; S254-T265 WeakPolarHBondContact O-CA 3.28Å; S254-F266 PolarHBondContact N-O 2.98Å; S254-F266 PolarHBondContact O-N 3.21Å
255	A	98	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142	177.4	0	0	0	0	0	110.8	A248 L263 F264 T265 I299 C301	A248-A255 PolarHBondContact N-O 3.48Å; A248-A255 PolarHBondContact O-N 3.43Å; A255-L263 HydrophobicContact CB-CD1 4.22Å; A255-F264 CarbonylContact C-O 3.57Å; A255-F264 VanDerWaalsContact CA-O 3.29Å; A255-F264 WeakPolarHBondContact CA-O 3.35Å; A255-T265 HydrophobicContact CB-CG2 4.02Å; A255-I299 HydrophobicContact CB-CD1 3.99Å; A255-C301 VanDerWaalsContact CB-SG 3.59Å
256	L	97.3	Very high	95.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	-178.5	-47	175.3	0	0	0	109.3	M203 V211 L239 V244 L247 L263 F264 F266 P285	M203-L256 HydrophobicContact CE-CD2 4.06Å; V211-L256 HydrophobicContact CG1-CD2 4.27Å; V211-L256 HydrophobicContact CG2-CD2 4.47Å; L239-L256 HydrophobicContact CD1-CD1 3.28Å; L239-L256 HydrophobicContact CD2-CD1 4.33Å; L239-L256 HydrophobicContact CG-CD1 4.42Å; V244-L256 HydrophobicContact CG1-CB 4.17Å; V244-L256 HydrophobicContact CG1-CD2 4.49Å; V244-L256 HydrophobicContact CG2-CD1 4.45Å; L247-L256 HydrophobicContact CD2-CD2 3.22Å; L256-L263 WeakPolarHBondContact O-CD1 3.49Å; L256-F264 HydrophobicContact CB-CB 4.32Å; L256-F264 PolarHBondContact N-O 2.89Å; L256-F264 PolarHBondContact O-N 3.11Å; L256-F266 HydrophobicContact CD1-CE1 3.64Å; L256-F266 HydrophobicContact CD1-CZ 4.31Å; L256-F266 HydrophobicContact CD2-CE1 4.26Å; L256-F266 HydrophobicContact CD2-CZ 4.5Å; L256-F266 HydrophobicContact CG-CE1 3.75Å; L256-F266 HydrophobicContact CG-CZ 4.44Å; L256-P285 HydrophobicContact CD1-CB 4.39Å; L256-P285 HydrophobicContact CD1-CG 4.35Å
257	L	95.1	Very high	95.6	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.5	172.5	179.5	62.8	0	0	0	109.1	E245 F246 V296 I299	E245-L257 HydrophobicContact CG-CG 4.35Å; E245-L257 PolarHBondContact N-O 2.99Å; F246-L257 HydrophobicContact CB-CB 4.15Å; F246-L257 HydrophobicContact CB-CD2 4.49Å; F246-L257 PolarHBondContact N-O 3.49Å; F246-L257 PolarHBondContact O-N 2.7Å; L257-V296 HydrophobicContact CD1-CB 3.75Å; L257-V296 HydrophobicContact CD1-CG1 3.75Å; L257-I299 HydrophobicContact CB-CD1 3.89Å; L257-I299 HydrophobicContact CB-CG1 4.19Å; L257-I299 HydrophobicContact CB-CG2 4.4Å
258	T	93.3	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	159.4	174.3	73.7	0	0	0	0	111.7	Q242 K243 D260 G261 L262 F264	Q242-T258 HydrophobicContact CB-CG2 4.09Å; K243-T258 CarbonylContact O-C 3.18Å; K243-T258 WeakPolarHBondContact O-CA 3.36Å; K243-T258 WeakPolarHBondContact O-CB 3.41Å; T258-D260 PolarHBondContact O-N 3.05Å; T258-G261 WeakPolarHBondContact O-CA 3.25Å; T258-G261 PolarHBondContact O-N 2.73Å; T258-L262 HydrophobicContact CG2-CB 4.26Å; T258-L262 PolarHBondContact N-O 3.47Å; T258-L262 WeakPolarHBondContact OG1-CB 3.5Å; T258-L262 PolarHBondContact OG1-N 3.08Å; T258-L262 VanDerWaalsContact OG1-N 3.09Å; T258-F264 HydrophobicContact CG2-CD2 3.96Å; T258-F264 HydrophobicContact CG2-CE2 3.7Å
259	Q	88.6	Confident	95.8	Very high	87 Å²	87	14.8 Å²	14.8	41%	0.407	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.1	176.7	-169.9	179.3	-10.8	0	0	112.8	K243 E245 G261 R295	K243-Q259 VanDerWaalsContact CD-OE1 3.25Å; K243-Q259 VanDerWaalsContact CE-OE1 3.25Å; K243-Q259 PolarHBondContact O-N 3.43Å; E245-Q259 WeakPolarHBondContact OE2-CA 3.42Å; Q259-G261 PolarHBondContact O-N 3.5Å; Q259-R295 PolarHBondContact O-NH2 3.3Å
260	D	88.6	Confident	95.8	Very high	112 Å²	112	21.4 Å²	21.4	60%	0.599	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.6	176.7	-57.8	-43.2	0	0	0	112.8	T258	T258-D260 PolarHBondContact O-N 3.05Å
261	G	92.1	Very high	95.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	11%	0.111	C	C	.	.			trans	82.3	20.1	177	0	0	0	0	0	114.5	T258 Q259 V296	T258-G261 WeakPolarHBondContact O-CA 3.25Å; T258-G261 PolarHBondContact O-N 2.73Å; Q259-G261 PolarHBondContact O-N 3.5Å; G261-V296 VanDerWaalsContact CA-O 3.29Å; G261-V296 WeakPolarHBondContact CA-O 3.39Å; G261-V296 WeakPolarHBondContact O-CB 3.3Å; G261-V296 PolarHBondContact O-N 3.38Å
262	L	94.6	Very high	96	Very high	46 Å²	46	22.3 Å²	22.3	24%	0.241	11%	0.108	C	C	.	.			trans	-85.3	138.4	174.5	-56.7	176.7	0	0	0	110.6	T258 F264 L287	T258-L262 HydrophobicContact CG2-CB 4.26Å; T258-L262 PolarHBondContact N-O 3.47Å; T258-L262 WeakPolarHBondContact OG1-CB 3.5Å; T258-L262 PolarHBondContact OG1-N 3.08Å; T258-L262 VanDerWaalsContact OG1-N 3.09Å; L262-F264 HydrophobicContact CB-CD2 4.4Å; L262-F264 HydrophobicContact CB-CE2 3.77Å; L262-F264 HydrophobicContact CD1-CE2 4.33Å; L262-L287 HydrophobicContact CB-CD1 3.93Å; L262-L287 HydrophobicContact CD2-CD1 4.29Å; L262-L287 HydrophobicContact CG-CD1 4.5Å
263	L	96.9	Very high	96	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.8	176.8	177.3	54.3	0	0	0	111	A255 L256 T265 V288 L291 V296 I299 A308 F319	A255-L263 HydrophobicContact CB-CD1 4.22Å; L256-L263 WeakPolarHBondContact O-CD1 3.49Å; L263-T265 HydrophobicContact CD1-CG2 4.23Å; L263-T265 HydrophobicContact CG-CG2 4.23Å; L263-V288 HydrophobicContact CB-CB 4.49Å; L263-V288 HydrophobicContact CB-CG2 4.44Å; L263-V288 HydrophobicContact CD2-CG2 4.11Å; L263-V288 HydrophobicContact CG-CB 4.39Å; L263-V288 HydrophobicContact CG-CG2 3.87Å; L263-V288 PolarHBondContact O-N 3.22Å; L263-L291 HydrophobicContact CD2-CD1 3.83Å; L263-V296 HydrophobicContact CB-CG2 4.27Å; L263-I299 HydrophobicContact CD1-CD1 4.34Å; L263-I299 HydrophobicContact CD1-CG2 3.74Å; L263-I299 HydrophobicContact CD2-CG2 4.41Å; L263-A308 HydrophobicContact CD2-CB 3.91Å; L263-F319 HydrophobicContact CD2-CE1 4.47Å; L263-F319 HydrophobicContact CD2-CZ 4.1Å
264	F	97.7	Very high	96	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.096	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.8	171.4	-65.2	-99.9	0	0	0	110.5	Q242 A255 L256 T258 L262 P285 C286 L287	Q242-F264 HydrophobicContact CG-CE2 4.31Å; Q242-F264 HydrophobicContact CG-CZ 4.06Å; A255-F264 CarbonylContact C-O 3.57Å; A255-F264 VanDerWaalsContact CA-O 3.29Å; A255-F264 WeakPolarHBondContact CA-O 3.35Å; L256-F264 HydrophobicContact CB-CB 4.32Å; L256-F264 PolarHBondContact N-O 2.89Å; L256-F264 PolarHBondContact O-N 3.11Å; T258-F264 HydrophobicContact CG2-CD2 3.96Å; T258-F264 HydrophobicContact CG2-CE2 3.7Å; L262-F264 HydrophobicContact CB-CD2 4.4Å; L262-F264 HydrophobicContact CB-CE2 3.77Å; L262-F264 HydrophobicContact CD1-CE2 4.33Å; F264-P285 HydrophobicContact CB-CB 4.17Å; F264-P285 HydrophobicContact CD1-CB 4.29Å; F264-C286 CarbonylContact C-O 3.58Å; F264-C286 VanDerWaalsContact CA-O 3.25Å; F264-C286 WeakPolarHBondContact CA-O 3.48Å; F264-L287 HydrophobicContact CD1-CB 4.07Å; F264-L287 HydrophobicContact CD2-CD1 4.45Å; F264-L287 HydrophobicContact CE1-CB 3.77Å; F264-L287 HydrophobicContact CE1-CD1 4.19Å; F264-L287 HydrophobicContact CE2-CD1 4.06Å; F264-L287 HydrophobicContact CZ-CB 4.3Å; F264-L287 HydrophobicContact CZ-CD1 3.91Å
265	T	98.3	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.3	177.5	59	0	0	0	0	110.7	S254 A255 L263 L274 H276 C286 V288 F319	S254-T265 WeakPolarHBondContact O-CA 3.28Å; A255-T265 HydrophobicContact CB-CG2 4.02Å; L263-T265 HydrophobicContact CD1-CG2 4.23Å; L263-T265 HydrophobicContact CG-CG2 4.23Å; T265-L274 PolarHBondContact OG1-O 2.71Å; T265-H276 PolarHBondContact O-NE2 2.99Å; T265-H276 PolarHBondContact OG1-CE1 3.42Å; T265-H276 VanDerWaalsContact OG1-CE1 3.23Å; T265-H276 PolarHBondContact OG1-NE2 3.26Å; T265-C286 PolarHBondContact N-O 3.22Å; T265-C286 PolarHBondContact O-N 3.39Å; T265-C286 VanDerWaalsContact O-N 3.12Å; T265-V288 HydrophobicContact CG2-CG2 3.78Å; T265-F319 HydrophobicContact CG2-CE2 4.42Å; T265-F319 HydrophobicContact CG2-CZ 4.47Å
266	F	98.5	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	166	178.7	55.4	-83.3	0	0	0	112.7	M203 Q221 L222 G223 I236 H253 S254 L256 E282 R284 P285	M203-F266 HydrophobicContact CE-CZ 3.87Å; Q221-F266 WeakPolarHBondContact O-CE2 3.35Å; L222-F266 VanDerWaalsContact C-CE2 3.46Å; G223-F266 VanDerWaalsContact CA-CE2 3.46Å; G223-F266 VanDerWaalsContact N-CE2 3.3Å; I236-F266 HydrophobicContact CD1-CE2 4.4Å; I236-F266 HydrophobicContact CD1-CZ 3.95Å; H253-F266 CarbonylContact C-O 3.54Å; H253-F266 VanDerWaalsContact CA-O 3.32Å; H253-F266 WeakPolarHBondContact CA-O 3.39Å; H253-F266 WeakPolarHBondContact CB-O 3.48Å; S254-F266 PolarHBondContact N-O 2.98Å; S254-F266 PolarHBondContact O-N 3.21Å; L256-F266 HydrophobicContact CD1-CE1 3.64Å; L256-F266 HydrophobicContact CD1-CZ 4.31Å; L256-F266 HydrophobicContact CD2-CE1 4.26Å; L256-F266 HydrophobicContact CD2-CZ 4.5Å; L256-F266 HydrophobicContact CG-CE1 3.75Å; L256-F266 HydrophobicContact CG-CZ 4.44Å; F266-E282 HydrophobicContact CB-CB 4.18Å; F266-R284 WeakPolarHBondContact CB-O 3.13Å; F266-P285 HydrophobicContact CD1-CB 3.85Å; F266-P285 HydrophobicContact CD1-CG 3.85Å; F266-P285 HydrophobicContact CE1-CB 4.13Å; F266-P285 HydrophobicContact CE1-CG 3.83Å; F266-P285 HydrophobicContact CG-CG 4.45Å; F266-P285 HydrophobicContact CZ-CG 4.42Å
267	G	98.4	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.9	-142.7	-174.6	0	0	0	0	0	113.1	F219 G269 N281 E282	F219-G267 CarbonylContact O-C 3.49Å; F219-G267 VanDerWaalsContact O-CA 3.24Å; F219-G267 WeakPolarHBondContact O-CA 3.37Å; G267-G269 PolarHBondContact O-N 2.91Å; G267-N281 VanDerWaalsContact O-CA 3.24Å; G267-N281 WeakPolarHBondContact O-CA 3.37Å; G267-N281 WeakPolarHBondContact O-CB 3.12Å; G267-E282 PolarHBondContact N-O 3.48Å; G267-E282 PolarHBondContact O-N 2.74Å
268	A	98.2	Very high	95.9	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	16%	0.158	C	C	.	.			trans	-65.6	128.4	-177	0	0	0	0	0	112	F219 S252 Q273 N281	F219-A268 HydrophobicContact CB-CB 3.83Å; F219-A268 HydrophobicContact CD2-CB 4.19Å; F219-A268 HydrophobicContact CG-CB 3.96Å; S252-A268 VanDerWaalsContact O-CB 3.25Å; S252-A268 WeakPolarHBondContact O-CB 3.13Å; S252-A268 PolarHBondContact O-N 2.81Å; A268-Q273 WeakPolarHBondContact O-CG 3.31Å; A268-Q273 PolarHBondContact O-NE2 3.19Å; A268-Q273 PolarHBondContact O-OE1 3.14Å; A268-N281 WeakPolarHBondContact CA-OD1 3.45Å
269	G	97.3	Very high	96.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.			trans	-110.9	-3.1	178.9	0	0	0	0	0	115.7	G267 H271 G272 Q273 T279 Q280 N281	G267-G269 PolarHBondContact O-N 2.91Å; G269-H271 PolarHBondContact O-N 3.41Å; G269-G272 PolarHBondContact O-N 3.02Å; G269-Q273 VanDerWaalsContact C-OE1 3.32Å; G269-Q273 PolarHBondContact O-OE1 3.03Å; G269-T279 CarbonylContact C-O 3.34Å; G269-T279 VanDerWaalsContact C-O 3.25Å; G269-T279 CarbonylContact O-C 3.6Å; G269-T279 WeakPolarHBondContact O-CA 3.45Å; G269-Q280 WeakPolarHBondContact CA-O 3.04Å; G269-N281 PolarHBondContact N-OD1 3.41Å
270	K	97.3	Very high	96.5	Very high	154 Å²	154	36.9 Å²	36.9	67%	0.67	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.7	-170.4	-176.1	175.6	-179.1	175.9	0	115.9	T279	K270-T279 PolarHBondContact N-O 2.94Å
271	H	96.2	Very high	97	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.134	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.6	-178.7	-64.6	-62.1	0	0	0	113.4	G269 G320 D334	G269-H271 PolarHBondContact O-N 3.41Å; H271-G320 CarbonylContact O-C 3.59Å; H271-G320 WeakPolarHBondContact O-CA 3.48Å; H271-D334 IonicContact CE1-OD2 3.61Å; H271-D334 IonicContact CG-OD2 3.39Å; H271-D334 IonicContact ND1-OD2 2.78Å; H271-D334 PolarHBondContact ND1-OD2 2.95Å
272	G	96.5	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	82.3	10.8	-174.1	0	0	0	0	0	114.6	G269 L274 G275 G320 L336	G269-G272 PolarHBondContact O-N 3.02Å; G272-L274 PolarHBondContact O-N 3.4Å; G272-G275 PolarHBondContact O-N 2.97Å; G272-G320 PolarHBondContact O-N 2.94Å; G272-L336 VanDerWaalsContact CA-CD2 3.47Å
273	Q	97.1	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.7	-172.8	65.1	-96.7	52.7	0	0	114.6	H253 A268 G269 W304 T306 F319 G320	H253-Q273 HydrophobicContact CB-CG 4.18Å; A268-Q273 WeakPolarHBondContact O-CG 3.31Å; A268-Q273 PolarHBondContact O-NE2 3.19Å; A268-Q273 PolarHBondContact O-OE1 3.14Å; G269-Q273 VanDerWaalsContact C-OE1 3.32Å; G269-Q273 PolarHBondContact O-OE1 3.03Å; Q273-W304 WeakPolarHBondContact CB-O 3Å; Q273-T306 PolarHBondContact O-OG1 3.29Å; Q273-F319 WeakPolarHBondContact O-CD2 3.28Å; Q273-F319 WeakPolarHBondContact O-CE2 3.46Å; Q273-G320 VanDerWaalsContact CA-CA 3.49Å
274	L	97.9	Very high	97.4	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-24.9	174.8	-52.2	-178.5	0	0	0	112.7	H253 T265 G272 H276 E282 V288 F319	H253-L274 HydrophobicContact CB-CD2 3.84Å; T265-L274 PolarHBondContact OG1-O 2.71Å; G272-L274 PolarHBondContact O-N 3.4Å; L274-H276 VanDerWaalsContact CB-CD2 3.5Å; L274-H276 WeakPolarHBondContact CB-CD2 3.5Å; L274-E282 HydrophobicContact CD1-CB 3.88Å; L274-E282 HydrophobicContact CD1-CG 3.65Å; L274-V288 WeakPolarHBondContact O-CG2 3.15Å; L274-F319 WeakPolarHBondContact O-CE2 3.29Å
275	G	97	Very high	97.4	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	22%	0.22	C	C	.	.			trans	82.8	12.9	176.2	0	0	0	0	0	115.3	G272 N277 F319 L336 P338	G272-G275 PolarHBondContact O-N 2.97Å; G275-N277 VanDerWaalsContact C-N 3.32Å; G275-N277 PolarHBondContact O-N 2.96Å; G275-F319 VanDerWaalsContact CA-CD2 3.44Å; G275-F319 VanDerWaalsContact N-CD2 3.3Å; G275-L336 CarbonylContact C-O 3.39Å; G275-L336 VanDerWaalsContact CA-O 3.26Å; G275-L336 WeakPolarHBondContact CA-O 3.24Å; G275-P338 WeakPolarHBondContact O-CD 3.4Å
276	H	96.9	Very high	97.3	Very high	38 Å²	38	46.8 Å²	46.8	18%	0.176	23%	0.233	C	C	.	.	S	Bend	trans	-91.9	20.8	-175.2	-57.2	-43.9	0	0	0	114.4	T265 L274 S278 C286 L336	T265-H276 PolarHBondContact O-NE2 2.99Å; T265-H276 PolarHBondContact OG1-CE1 3.42Å; T265-H276 VanDerWaalsContact OG1-CE1 3.23Å; T265-H276 PolarHBondContact OG1-NE2 3.26Å; L274-H276 VanDerWaalsContact CB-CD2 3.5Å; L274-H276 WeakPolarHBondContact CB-CD2 3.5Å; H276-S278 PolarHBondContact O-N 3.41Å; H276-S278 VanDerWaalsContact O-N 3.15Å; H276-C286 PolarHBondContact CE1-O 2.93Å; H276-C286 VanDerWaalsContact CE1-O 3.28Å; H276-C286 WeakPolarHBondContact NE2-CB 3.43Å; H276-L336 PolarHBondContact N-O 3.49Å
277	N	96.6	Very high	97.2	Very high	113 Å²	113	49.7 Å²	49.7	60%	0.604	25%	0.248	S	C	*	.	S	Bend	trans	53.2	33	-173.4	-161.8	23.4	0	0	0	113.4	G275 L336 I337	G275-N277 VanDerWaalsContact C-N 3.32Å; G275-N277 PolarHBondContact O-N 2.96Å; N277-L336 WeakPolarHBondContact CA-O 3.43Å; N277-L336 PolarHBondContact N-O 3.07Å; N277-I337 HydrophobicContact CB-CG2 3.44Å; N277-I337 VanDerWaalsContact CB-CG2 3.44Å
278	S	96	Very high	97.2	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	25%	0.249	S	C	.	.	S	Bend	trans	-145.8	156	-172	179.9	0	0	0	0	110.7	H276 Q280	H276-S278 PolarHBondContact O-N 3.41Å; H276-S278 VanDerWaalsContact O-N 3.15Å; S278-Q280 WeakPolarHBondContact OG-CB 3.29Å; S278-Q280 PolarHBondContact OG-N 3.27Å; S278-Q280 VanDerWaalsContact OG-N 3.12Å
279	T	97	Very high	97	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.46	28%	0.275	S	S	.	.			trans	-102.2	0.8	171.9	56.2	0	0	0	0	113.1	G269 K270 L336	G269-T279 CarbonylContact C-O 3.34Å; G269-T279 VanDerWaalsContact C-O 3.25Å; G269-T279 CarbonylContact O-C 3.6Å; G269-T279 WeakPolarHBondContact O-CA 3.45Å; K270-T279 PolarHBondContact N-O 2.94Å; T279-L336 HydrophobicContact CG2-CD1 4.2Å; T279-L336 HydrophobicContact CG2-CD2 3.78Å
280	Q	97.8	Very high	96.8	Very high	131 Å²	131	58.5 Å²	58.5	61%	0.612	30%	0.301	S	S	*	.	S	Bend	trans	-74.6	152.4	178.9	-63.4	-61.6	-20.5	0	0	111.8	G269 S278	G269-Q280 WeakPolarHBondContact CA-O 3.04Å; S278-Q280 WeakPolarHBondContact OG-CB 3.29Å; S278-Q280 PolarHBondContact OG-N 3.27Å; S278-Q280 VanDerWaalsContact OG-N 3.12Å
281	N	98.1	Very high	96.6	Very high	61 Å²	61	51.6 Å²	51.6	33%	0.326	27%	0.271	S	S	.	.			trans	-78.1	143.8	173.4	-59.3	-28.6	0	0	0	110.2	G267 A268 G269	G267-N281 VanDerWaalsContact O-CA 3.24Å; G267-N281 WeakPolarHBondContact O-CA 3.37Å; G267-N281 WeakPolarHBondContact O-CB 3.12Å; A268-N281 WeakPolarHBondContact CA-OD1 3.45Å; G269-N281 PolarHBondContact N-OD1 3.41Å
282	E	98.1	Very high	96.4	Very high	54 Å²	54	53.8 Å²	53.8	25%	0.252	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.1	174.4	-68.3	-59.6	156.3	0	0	109.4	F266 G267 L274 C286	F266-E282 HydrophobicContact CB-CB 4.18Å; G267-E282 PolarHBondContact N-O 3.48Å; G267-E282 PolarHBondContact O-N 2.74Å; L274-E282 HydrophobicContact CD1-CB 3.88Å; L274-E282 HydrophobicContact CD1-CG 3.65Å; E282-C286 HydrophobicContact CB-CB 4.47Å; E282-C286 HydrophobicContact CG-CB 4.1Å
283	L	97.9	Very high	96	Very high	59 Å²	59	57.2 Å²	57.2	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-14.4	-177.4	-54.1	-175.2	0	0	0	113.1	G223 L224 G225 T227	G223-L283 CarbonylContact C-O 3.4Å; G223-L283 VanDerWaalsContact CA-O 3.26Å; G223-L283 WeakPolarHBondContact CA-O 3.49Å; L224-L283 PolarHBondContact N-O 2.9Å; G225-L283 WeakPolarHBondContact CA-O 3.41Å; G225-L283 PolarHBondContact N-O 3.34Å; T227-L283 HydrophobicContact CG2-CD1 4.4Å; T227-L283 HydrophobicContact CG2-CD2 3.7Å
284	R	97.3	Very high	95.7	Very high	160 Å²	160	59.6 Å²	59.6	60%	0.604	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	177.5	-68.5	-174.6	168.4	176	-4.6	109.5	F266 C286	F266-R284 WeakPolarHBondContact CB-O 3.13Å; R284-C286 PolarHBondContact O-N 3.04Å; R284-C286 VanDerWaalsContact O-N 3.11Å
285	P	97.3	Very high	95.3	Very high	19 Å²	19	64.5 Å²	64.5	12%	0.123	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	118.6	172	-24.6	32.9	0	0	0	111.7	G223 I236 L239 L256 F264 F266	G223-P285 WeakPolarHBondContact O-CD 3.43Å; I236-P285 HydrophobicContact CG2-CG 3.73Å; L239-P285 HydrophobicContact CD1-CB 4.48Å; L239-P285 HydrophobicContact CD1-CG 3.99Å; L239-P285 HydrophobicContact CD2-CB 3.88Å; L239-P285 HydrophobicContact CD2-CG 4.18Å; L239-P285 HydrophobicContact CG-CB 4.31Å; L239-P285 HydrophobicContact CG-CG 4.04Å; L256-P285 HydrophobicContact CD1-CB 4.39Å; L256-P285 HydrophobicContact CD1-CG 4.35Å; F264-P285 HydrophobicContact CB-CB 4.17Å; F264-P285 HydrophobicContact CD1-CB 4.29Å; F266-P285 HydrophobicContact CD1-CB 3.85Å; F266-P285 HydrophobicContact CD1-CG 3.85Å; F266-P285 HydrophobicContact CE1-CB 4.13Å; F266-P285 HydrophobicContact CE1-CG 3.83Å; F266-P285 HydrophobicContact CG-CG 4.45Å; F266-P285 HydrophobicContact CZ-CG 4.42Å
286	C	96.6	Very high	95.2	Very high	40 Å²	40	64.5 Å²	64.5	27%	0.27	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.3	-179.9	-177.9	0	0	0	0	109.8	F264 T265 H276 E282 R284	F264-C286 CarbonylContact C-O 3.58Å; F264-C286 VanDerWaalsContact CA-O 3.25Å; F264-C286 WeakPolarHBondContact CA-O 3.48Å; T265-C286 PolarHBondContact N-O 3.22Å; T265-C286 PolarHBondContact O-N 3.39Å; T265-C286 VanDerWaalsContact O-N 3.12Å; H276-C286 PolarHBondContact CE1-O 2.93Å; H276-C286 VanDerWaalsContact CE1-O 3.28Å; H276-C286 WeakPolarHBondContact NE2-CB 3.43Å; E282-C286 HydrophobicContact CB-CB 4.47Å; E282-C286 HydrophobicContact CG-CB 4.1Å; R284-C286 PolarHBondContact O-N 3.04Å; R284-C286 VanDerWaalsContact O-N 3.11Å
287	L	96.1	Very high	94.9	Very high	60 Å²	60	64.5 Å²	64.5	31%	0.314	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.7	-178.6	179.1	66.4	0	0	0	110.2	L262 F264 A289 V292	L262-L287 HydrophobicContact CB-CD1 3.93Å; L262-L287 HydrophobicContact CD2-CD1 4.29Å; L262-L287 HydrophobicContact CG-CD1 4.5Å; F264-L287 HydrophobicContact CD1-CB 4.07Å; F264-L287 HydrophobicContact CD2-CD1 4.45Å; F264-L287 HydrophobicContact CE1-CB 3.77Å; F264-L287 HydrophobicContact CE1-CD1 4.19Å; F264-L287 HydrophobicContact CE2-CD1 4.06Å; F264-L287 HydrophobicContact CZ-CB 4.3Å; F264-L287 HydrophobicContact CZ-CD1 3.91Å; L287-A289 PolarHBondContact O-N 2.71Å; L287-V292 HydrophobicContact CD1-CG2 4.3Å; L287-V292 HydrophobicContact CD2-CG2 3.67Å; L287-V292 HydrophobicContact CG-CG2 3.92Å
288	V	97.2	Very high	94.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	34%	0.338	C	S	.	.			trans	-76.2	92	175.5	-176.9	0	0	0	0	109.6	L263 T265 L274 E290 L291 P338	L263-V288 HydrophobicContact CB-CB 4.49Å; L263-V288 HydrophobicContact CB-CG2 4.44Å; L263-V288 HydrophobicContact CD2-CG2 4.11Å; L263-V288 HydrophobicContact CG-CB 4.39Å; L263-V288 HydrophobicContact CG-CG2 3.87Å; L263-V288 PolarHBondContact O-N 3.22Å; T265-V288 HydrophobicContact CG2-CG2 3.78Å; L274-V288 WeakPolarHBondContact O-CG2 3.15Å; V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.29Å; V288-L291 HydrophobicContact CG1-CD1 4.21Å; V288-L291 HydrophobicContact CG1-CG 4.15Å; V288-L291 PolarHBondContact O-N 2.86Å; V288-L291 VanDerWaalsContact O-N 3.13Å; V288-P338 HydrophobicContact CG1-CG 3.57Å
289	A	94.6	Very high	94.6	Very high	71 Å²	71	60.2 Å²	60.2	59%	0.587	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-55.1	-38.3	-171.5	0	0	0	0	0	114	L287 L291 V292	L287-A289 PolarHBondContact O-N 2.71Å; A289-L291 PolarHBondContact O-N 3.01Å; A289-L291 VanDerWaalsContact O-N 3.14Å; A289-V292 VanDerWaalsContact O-CB 3.3Å; A289-V292 WeakPolarHBondContact O-CB 3.47Å; A289-V292 WeakPolarHBondContact O-CG2 3.34Å; A289-V292 PolarHBondContact O-N 3.48Å
290	E	93.6	Very high	94.5	Very high	119 Å²	119	57.2 Å²	57.2	56%	0.556	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63	-19.5	-178.5	-67.6	-63.4	145.7	0	0	114.2	V288 I337 P338	V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.29Å; E290-I337 HydrophobicContact CG-CB 4.37Å; E290-I337 HydrophobicContact CG-CG2 4.3Å; E290-P338 HydrophobicContact CB-CG 4.19Å
291	L	93.5	Very high	94.4	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-100.7	-3.4	178	-60.9	-179.6	0	0	0	113	L263 V288 A289 N294 V296 A308 V310 F317 P338	L263-L291 HydrophobicContact CD2-CD1 3.83Å; V288-L291 HydrophobicContact CG1-CD1 4.21Å; V288-L291 HydrophobicContact CG1-CG 4.15Å; V288-L291 PolarHBondContact O-N 2.86Å; V288-L291 VanDerWaalsContact O-N 3.13Å; A289-L291 PolarHBondContact O-N 3.01Å; A289-L291 VanDerWaalsContact O-N 3.14Å; L291-N294 PolarHBondContact O-N 3.44Å; L291-V296 HydrophobicContact CB-CG2 4.29Å; L291-V296 HydrophobicContact CD1-CG2 4.1Å; L291-A308 HydrophobicContact CD1-CB 4Å; L291-V310 HydrophobicContact CD2-CG2 4.04Å; L291-F317 HydrophobicContact CD2-CD1 4.14Å; L291-F317 HydrophobicContact CD2-CD2 4.36Å; L291-F317 HydrophobicContact CD2-CE1 4.45Å; L291-F317 HydrophobicContact CD2-CG 4.09Å; L291-P338 HydrophobicContact CD1-CB 4.36Å; L291-P338 HydrophobicContact CD1-CG 4.26Å; L291-P338 HydrophobicContact CD2-CB 3.98Å; L291-P338 HydrophobicContact CD2-CG 4.37Å; L291-P338 HydrophobicContact CG-CB 4.19Å; L291-P338 HydrophobicContact CG-CG 4.06Å
292	V	91.9	Very high	94.2	Very high	74 Å²	74	48.7 Å²	48.7	45%	0.448	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	141.7	179.9	176	0	0	0	0	110.4	L287 A289 N294	L287-V292 HydrophobicContact CD1-CG2 4.3Å; L287-V292 HydrophobicContact CD2-CG2 3.67Å; L287-V292 HydrophobicContact CG-CG2 3.92Å; A289-V292 VanDerWaalsContact O-CB 3.3Å; A289-V292 WeakPolarHBondContact O-CB 3.47Å; A289-V292 WeakPolarHBondContact O-CG2 3.34Å; A289-V292 PolarHBondContact O-N 3.48Å; V292-N294 VanDerWaalsContact C-N 3.27Å; V292-N294 PolarHBondContact O-N 2.93Å
293	G	87.2	Confident	93.9	Very high	73 Å²	73	48.8 Å²	48.8	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-6	-175.6	0	0	0	0	0	114.3
294	N	90.6	Very high	93.8	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.262	27%	0.265	S	S	.	.	S	Bend	trans	-119.2	143.1	169.3	-52.7	-89.8	0	0	0	110.3	L291 V292 V296 V310 D312 L313	L291-N294 PolarHBondContact O-N 3.44Å; V292-N294 VanDerWaalsContact C-N 3.27Å; V292-N294 PolarHBondContact O-N 2.93Å; N294-V296 PolarHBondContact O-N 3.08Å; N294-V310 HydrophobicContact CB-CG1 3.35Å; N294-D312 WeakPolarHBondContact CA-OD2 2.86Å; N294-L313 WeakPolarHBondContact OD1-CG 2.88Å
295	R	90.9	Very high	93.7	Very high	108 Å²	108	41.5 Å²	41.5	41%	0.408	24%	0.237	S	C	.	.			trans	-79.4	109.4	179.5	-166.1	172.7	-173.1	-94.9	-13.4	111.2	Q259 T297 S311 D312	Q259-R295 PolarHBondContact O-NH2 3.3Å; R295-T297 HydrophobicContact CG-CG2 4.15Å; R295-T297 VanDerWaalsContact NH1-CG2 3.29Å; R295-S311 PolarHBondContact O-N 3.22Å; R295-S311 PolarHBondContact O-OG 3.13Å; R295-D312 WeakPolarHBondContact CB-OD1 3.42Å; R295-D312 WeakPolarHBondContact CB-OD2 3.38Å; R295-D312 PolarHBondContact N-OD2 2.97Å
296	V	93.4	Very high	93.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.2	166.7	-175	0	0	0	0	108.6	L257 G261 L263 L291 N294 I299 A308 Y309 V310	L257-V296 HydrophobicContact CD1-CB 3.75Å; L257-V296 HydrophobicContact CD1-CG1 3.75Å; G261-V296 VanDerWaalsContact CA-O 3.29Å; G261-V296 WeakPolarHBondContact CA-O 3.39Å; G261-V296 WeakPolarHBondContact O-CB 3.3Å; G261-V296 PolarHBondContact O-N 3.38Å; L263-V296 HydrophobicContact CB-CG2 4.27Å; L291-V296 HydrophobicContact CB-CG2 4.29Å; L291-V296 HydrophobicContact CD1-CG2 4.1Å; N294-V296 PolarHBondContact O-N 3.08Å; V296-I299 HydrophobicContact CG1-CG2 3.88Å; V296-A308 HydrophobicContact CG1-CB 4.11Å; V296-Y309 WeakPolarHBondContact CA-O 3.2Å; V296-V310 HydrophobicContact CG2-CG2 4.32Å
297	T	90.4	Very high	93.7	Very high	38 Å²	38	38.8 Å²	38.8	23%	0.233	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-13.3	-179	55.8	0	0	0	0	114.6	R295 Y309 S311	R295-T297 HydrophobicContact CG-CG2 4.15Å; R295-T297 VanDerWaalsContact NH1-CG2 3.29Å; T297-Y309 PolarHBondContact N-O 2.58Å; T297-Y309 WeakPolarHBondContact OG1-CD1 3.32Å; T297-S311 WeakPolarHBondContact CG2-OG 3.46Å
298	Q	91.9	Very high	93.7	Very high	54 Å²	54	36 Å²	36	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.8	171.6	-55.6	-177.8	38.4	0	0	110.4	A308 Y309 L360 M362	Q298-A308 WeakPolarHBondContact O-CA 3.44Å; Q298-Y309 PolarHBondContact O-N 3.08Å; Q298-L360 PolarHBondContact NE2-O 3.46Å; Q298-L360 PolarHBondContact OE1-O 3.23Å; Q298-M362 HydrophobicContact CB-SD 3.91Å
299	I	95.3	Very high	93.5	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.4	174	60.2	168.4	0	0	0	110.3	F246 A248 A255 L257 L263 V296 L307	F246-I299 HydrophobicContact CD1-CD1 4.02Å; F246-I299 HydrophobicContact CD1-CG1 3.56Å; F246-I299 HydrophobicContact CE1-CG1 3.96Å; A248-I299 HydrophobicContact CB-CD1 3.95Å; A248-I299 HydrophobicContact CB-CG1 4.07Å; A255-I299 HydrophobicContact CB-CD1 3.99Å; L257-I299 HydrophobicContact CB-CD1 3.89Å; L257-I299 HydrophobicContact CB-CG1 4.19Å; L257-I299 HydrophobicContact CB-CG2 4.4Å; L263-I299 HydrophobicContact CD1-CD1 4.34Å; L263-I299 HydrophobicContact CD1-CG2 3.74Å; L263-I299 HydrophobicContact CD2-CG2 4.41Å; V296-I299 HydrophobicContact CG1-CG2 3.88Å; I299-L307 WeakPolarHBondContact CA-O 3.47Å
300	A	94.8	Very high	93.3	Very high	11 Å²	11	33.1 Å²	33.1	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.4	173.2	0	0	0	0	0	110.1	L307 M362 A364	A300-L307 PolarHBondContact N-O 3.18Å; A300-L307 PolarHBondContact O-N 3.48Å; A300-M362 HydrophobicContact CB-CB 4.3Å; A300-A364 HydrophobicContact CB-CB 3.87Å
301	C	95.5	Very high	92.9	Very high	11 Å²	11	28 Å²	28	7%	0.074	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.4	-179.6	-68.7	0	0	0	0	110.3	A248 C249 A255 A364	A248-C301 HydrophobicContact CB-CB 4.21Å; A248-C301 PolarHBondContact O-SG 2.94Å; C249-C301 WeakPolarHBondContact O-CB 3.24Å; A255-C301 VanDerWaalsContact CB-SG 3.59Å; C301-A364 VanDerWaalsContact C-CB 3.47Å; C301-A364 CarbonylContact O-C 3.59Å
302	G	93.6	Very high	92.4	Very high	3 Å²	3	32 Å²	32	3%	0.031	18%	0.176	C	C	.	.			trans	-93.1	-166.5	165.9	0	0	0	0	0	110.9	G250 G251 W304 H305	G250-G302 WeakPolarHBondContact CA-O 3.31Å; G251-G302 PolarHBondContact N-O 3.4Å; G302-W304 VanDerWaalsContact C-N 3.35Å; G302-W304 PolarHBondContact O-N 3.34Å; G302-H305 PolarHBondContact N-O 3.3Å
303	R	92.2	Very high	92	Very high	55 Å²	55	32 Å²	32	21%	0.208	17%	0.174	C	C	.	.	S	Bend	trans	-62.7	-42.9	-177.9	-160.8	171.9	-171.6	121.9	4.6	112.3	D146 E199 G251 G366	D146-R303 IonicContact OD1-NH1 3.89Å; D146-R303 IonicContact OD2-CZ 3.34Å; D146-R303 IonicContact OD2-NH1 2.73Å; D146-R303 PolarHBondContact OD2-NH1 3.23Å; D146-R303 VanDerWaalsContact OD2-NH1 3.08Å; D146-R303 IonicContact OD2-NH2 3.33Å; D146-R303 PolarHBondContact OD2-NH2 2.78Å; E199-R303 IonicContact OE1-NH2 3.7Å; E199-R303 IonicContact OE2-CZ 3.41Å; E199-R303 IonicContact OE2-NE 3.37Å; E199-R303 IonicContact OE2-NH2 3.78Å; E199-R303 PolarHBondContact OE2-NH2 3.23Å; G251-R303 WeakPolarHBondContact CA-O 3.38Å; G251-R303 PolarHBondContact N-O 3.47Å; G251-R303 VanDerWaalsContact N-O 3.11Å; R303-G366 VanDerWaalsContact CB-O 3.3Å; R303-G366 WeakPolarHBondContact CB-O 3.49Å; R303-G366 PolarHBondContact N-O 3.46Å
304	W	95.5	Very high	91.8	Very high	67 Å²	67	28.9 Å²	28.9	25%	0.254	14%	0.141	S	C	.	.	S	Bend	trans	-137.2	22.9	-175.4	-51.7	115.9	0	0	0	113.2	Q273 G302 S321	Q273-W304 WeakPolarHBondContact CB-O 3Å; G302-W304 VanDerWaalsContact C-N 3.35Å; G302-W304 PolarHBondContact O-N 3.34Å; W304-S321 WeakPolarHBondContact O-CB 3.42Å; W304-S321 PolarHBondContact O-N 2.87Å
305	H	96.5	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.4	-179.9	67.4	-71.1	0	0	0	111.2	G302 F319 Q326 L327 S369	G302-H305 PolarHBondContact N-O 3.3Å; H305-F319 CarbonylContact C-O 3.54Å; H305-F319 VanDerWaalsContact CA-O 3.3Å; H305-F319 WeakPolarHBondContact CA-O 3.29Å; H305-F319 WeakPolarHBondContact CB-O 3.48Å; H305-Q326 HydrophobicContact CB-CG 4.48Å; H305-L327 HydrophobicContact CB-CD2 3.73Å; H305-S369 PolarHBondContact CD2-OG 3.37Å; H305-S369 PolarHBondContact NE2-OG 3.12Å
306	T	97.4	Very high	91.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.3	-179.6	-55.9	0	0	0	0	109.2	H253 Q273 S318 F319	H253-T306 PolarHBondContact NE2-OG1 3.18Å; Q273-T306 PolarHBondContact O-OG1 3.29Å; T306-S318 WeakPolarHBondContact O-CA 3.19Å; T306-F319 VanDerWaalsContact CB-CE2 3.46Å; T306-F319 HydrophobicContact CG2-CE1 4.11Å; T306-F319 HydrophobicContact CG2-CE2 3.85Å; T306-F319 HydrophobicContact CG2-CZ 3.47Å; T306-F319 VanDerWaalsContact CG2-CZ 3.47Å; T306-F319 PolarHBondContact N-O 3.02Å; T306-F319 PolarHBondContact O-N 3.44Å
307	L	96.6	Very high	91.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	172	-52.1	177	0	0	0	109.8	I299 A300 F317 S318 M362 A364 S369	I299-L307 WeakPolarHBondContact CA-O 3.47Å; A300-L307 PolarHBondContact N-O 3.18Å; A300-L307 PolarHBondContact O-N 3.48Å; L307-F317 CarbonylContact C-O 3.54Å; L307-F317 VanDerWaalsContact CA-O 3.3Å; L307-F317 WeakPolarHBondContact CA-O 3.18Å; L307-S318 VanDerWaalsContact CD2-CB 3.45Å; L307-M362 VanDerWaalsContact C-CE 3.44Å; L307-M362 HydrophobicContact CB-CE 3.1Å; L307-M362 HydrophobicContact CD1-CE 4.09Å; L307-M362 HydrophobicContact CG-CE 4.25Å; L307-A364 HydrophobicContact CD1-CB 4.09Å; L307-A364 HydrophobicContact CG-CB 4.33Å; L307-S369 WeakPolarHBondContact CD1-OG 3.36Å
308	A	95.7	Very high	91.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.4	173.9	0	0	0	0	0	111.1	L263 L291 V296 Q298 V316 F317	L263-A308 HydrophobicContact CD2-CB 3.91Å; L291-A308 HydrophobicContact CD1-CB 4Å; V296-A308 HydrophobicContact CG1-CB 4.11Å; Q298-A308 WeakPolarHBondContact O-CA 3.44Å; A308-V316 CarbonylContact O-C 3.59Å; A308-V316 WeakPolarHBondContact O-CA 3.26Å; A308-F317 PolarHBondContact N-O 2.8Å; A308-F317 PolarHBondContact O-N 2.83Å
309	Y	92.9	Very high	92.2	Very high	13 Å²	13	23.3 Å²	23.3	5%	0.051	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.5	169.7	175.6	-111.2	0	0	0	110.2	V296 T297 Q298 K315 V316 E352 L360 M362	V296-Y309 WeakPolarHBondContact CA-O 3.2Å; T297-Y309 PolarHBondContact N-O 2.58Å; T297-Y309 WeakPolarHBondContact OG1-CD1 3.32Å; Q298-Y309 PolarHBondContact O-N 3.08Å; Y309-K315 WeakPolarHBondContact CD2-O 3.4Å; Y309-V316 HydrophobicContact CD2-CG2 4Å; Y309-E352 PolarHBondContact OH-OE1 3.11Å; Y309-L360 HydrophobicContact CD2-CD2 3.58Å; Y309-L360 HydrophobicContact CE2-CD2 3.83Å; Y309-L360 HydrophobicContact CG-CD2 4.17Å; Y309-M362 WeakPolarHBondContact CB-SD 3.4Å; Y309-M362 HydrophobicContact CG-SD 4.48Å; Y309-M362 PolarHBondContact N-SD 2.91Å
310	V	90.9	Very high	92.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	106.8	-179.9	-177.4	0	0	0	0	107.6	L291 N294 V296 D312 L313 G314 K315 F317	L291-V310 HydrophobicContact CD2-CG2 4.04Å; N294-V310 HydrophobicContact CB-CG1 3.35Å; V296-V310 HydrophobicContact CG2-CG2 4.32Å; V310-D312 PolarHBondContact O-N 2.74Å; V310-L313 HydrophobicContact CB-CB 4.37Å; V310-L313 HydrophobicContact CG1-CB 4.02Å; V310-L313 HydrophobicContact CG1-CD1 3.94Å; V310-L313 HydrophobicContact CG1-CG 3.8Å; V310-L313 PolarHBondContact O-N 2.52Å; V310-G314 PolarHBondContact O-N 3.3Å; V310-K315 PolarHBondContact N-O 3.27Å; V310-K315 PolarHBondContact O-N 2.85Å; V310-F317 HydrophobicContact CB-CD2 4.18Å; V310-F317 HydrophobicContact CB-CE2 4Å; V310-F317 HydrophobicContact CG2-CD2 3.51Å; V310-F317 HydrophobicContact CG2-CE2 3.68Å; V310-F317 HydrophobicContact CG2-CG 4.47Å
311	S	84.4	Confident	92.3	Very high	10 Å²	10	22.6 Å²	22.6	7%	0.07	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-63.3	-44.8	-174.2	50	0	0	0	0	111.2	R295 T297 L313 G314 E352	R295-S311 PolarHBondContact O-N 3.22Å; R295-S311 PolarHBondContact O-OG 3.13Å; T297-S311 WeakPolarHBondContact CG2-OG 3.46Å; S311-L313 PolarHBondContact O-N 3.28Å; S311-G314 PolarHBondContact O-N 3.4Å; S311-E352 VanDerWaalsContact CA-OE1 3.31Å; S311-E352 WeakPolarHBondContact CA-OE1 3.46Å; S311-E352 VanDerWaalsContact CB-OE1 3.23Å; S311-E352 WeakPolarHBondContact CB-OE1 3.24Å; S311-E352 VanDerWaalsContact O-OE2 3.07Å
312	D	83.4	Confident	92.2	Very high	93 Å²	93	22 Å²	22	50%	0.497	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-59.6	-25.8	-176.2	-57.2	-7.6	0	0	0	112.8	N294 R295 V310	N294-D312 WeakPolarHBondContact CA-OD2 2.86Å; R295-D312 WeakPolarHBondContact CB-OD1 3.42Å; R295-D312 WeakPolarHBondContact CB-OD2 3.38Å; R295-D312 PolarHBondContact N-OD2 2.97Å; V310-D312 PolarHBondContact O-N 2.74Å
313	L	83.6	Confident	92	Very high	76 Å²	76	28.2 Å²	28.2	40%	0.398	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-103.6	-8.9	178.7	-58.8	-178.1	0	0	0	113.4	N294 V310 S311 K315 F317	N294-L313 WeakPolarHBondContact OD1-CG 2.88Å; V310-L313 HydrophobicContact CB-CB 4.37Å; V310-L313 HydrophobicContact CG1-CB 4.02Å; V310-L313 HydrophobicContact CG1-CD1 3.94Å; V310-L313 HydrophobicContact CG1-CG 3.8Å; V310-L313 PolarHBondContact O-N 2.52Å; S311-L313 PolarHBondContact O-N 3.28Å; L313-K315 HydrophobicContact CB-CB 4.28Å; L313-K315 HydrophobicContact CB-CD 4.47Å; L313-K315 WeakPolarHBondContact O-CG 3.37Å; L313-K315 PolarHBondContact O-N 2.86Å; L313-F317 HydrophobicContact CD1-CE2 3.92Å; L313-F317 HydrophobicContact CD1-CZ 3.76Å
314	G	81.4	Confident	91.7	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.8	-173.2	0	0	0	0	0	113.7	V310 S311	V310-G314 PolarHBondContact O-N 3.3Å; S311-G314 PolarHBondContact O-N 3.4Å
315	K	87.6	Confident	91.4	Very high	106 Å²	106	26.9 Å²	26.9	46%	0.461	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.7	-169	-77.6	173	-170.8	177.4	0	112.5	Y309 V310 L313 F317	Y309-K315 WeakPolarHBondContact CD2-O 3.4Å; V310-K315 PolarHBondContact N-O 3.27Å; V310-K315 PolarHBondContact O-N 2.85Å; L313-K315 HydrophobicContact CB-CB 4.28Å; L313-K315 HydrophobicContact CB-CD 4.47Å; L313-K315 WeakPolarHBondContact O-CG 3.37Å; L313-K315 PolarHBondContact O-N 2.86Å; K315-F317 HydrophobicContact CB-CD2 4.34Å; K315-F317 HydrophobicContact CB-CE2 3.79Å
316	V	91.1	Very high	91.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128	168	-176.8	0	0	0	0	108.8	A308 Y309 P340 V341 L360 M362 L371	A308-V316 CarbonylContact O-C 3.59Å; A308-V316 WeakPolarHBondContact O-CA 3.26Å; Y309-V316 HydrophobicContact CD2-CG2 4Å; V316-P340 CarbonylContact O-C 3.58Å; V316-P340 WeakPolarHBondContact O-CA 3.44Å; V316-V341 HydrophobicContact CB-CB 4.43Å; V316-V341 HydrophobicContact CB-CG2 4.07Å; V316-V341 HydrophobicContact CG1-CG2 3.78Å; V316-V341 PolarHBondContact O-N 3.39Å; V316-L360 HydrophobicContact CG2-CD2 3.54Å; V316-M362 HydrophobicContact CG1-CE 3.73Å; V316-M362 HydrophobicContact CG1-SD 4.34Å; V316-M362 HydrophobicContact CG2-SD 4.4Å; V316-L371 HydrophobicContact CB-CD1 4.34Å; V316-L371 HydrophobicContact CG1-CD2 4.13Å; V316-L371 HydrophobicContact CG2-CD1 4.09Å; V316-L371 HydrophobicContact CG2-CD2 4.06Å
317	F	94.4	Very high	90.9	Very high	25 Å²	25	27 Å²	27	11%	0.11	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.9	171.6	-69.7	-104.4	0	0	0	109.7	L291 L307 A308 V310 L313 K315 P338 L339	L291-F317 HydrophobicContact CD2-CD1 4.14Å; L291-F317 HydrophobicContact CD2-CD2 4.36Å; L291-F317 HydrophobicContact CD2-CE1 4.45Å; L291-F317 HydrophobicContact CD2-CG 4.09Å; L307-F317 CarbonylContact C-O 3.54Å; L307-F317 VanDerWaalsContact CA-O 3.3Å; L307-F317 WeakPolarHBondContact CA-O 3.18Å; A308-F317 PolarHBondContact N-O 2.8Å; A308-F317 PolarHBondContact O-N 2.83Å; V310-F317 HydrophobicContact CB-CD2 4.18Å; V310-F317 HydrophobicContact CB-CE2 4Å; V310-F317 HydrophobicContact CG2-CD2 3.51Å; V310-F317 HydrophobicContact CG2-CE2 3.68Å; V310-F317 HydrophobicContact CG2-CG 4.47Å; L313-F317 HydrophobicContact CD1-CE2 3.92Å; L313-F317 HydrophobicContact CD1-CZ 3.76Å; K315-F317 HydrophobicContact CB-CD2 4.34Å; K315-F317 HydrophobicContact CB-CE2 3.79Å; F317-P338 HydrophobicContact CB-CB 4.04Å; F317-P338 HydrophobicContact CD1-CB 4.08Å; F317-P338 HydrophobicContact CG-CB 4.45Å; F317-L339 CarbonylContact C-O 3.58Å; F317-L339 VanDerWaalsContact CA-O 3.3Å; F317-L339 WeakPolarHBondContact CA-O 3.1Å
318	S	95.9	Very high	90.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.1	179.3	65.5	0	0	0	0	110.4	T306 L307 L327 L339	T306-S318 WeakPolarHBondContact O-CA 3.19Å; L307-S318 VanDerWaalsContact CD2-CB 3.45Å; S318-L327 PolarHBondContact OG-O 3.22Å; S318-L339 PolarHBondContact N-O 3.49Å; S318-L339 PolarHBondContact O-N 3.18Å
319	F	97.3	Very high	89.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.3	178.1	48.7	-82.4	0	0	0	110.8	L263 T265 Q273 L274 G275 H305 T306 I337 P338	L263-F319 HydrophobicContact CD2-CE1 4.47Å; L263-F319 HydrophobicContact CD2-CZ 4.1Å; T265-F319 HydrophobicContact CG2-CE2 4.42Å; T265-F319 HydrophobicContact CG2-CZ 4.47Å; Q273-F319 WeakPolarHBondContact O-CD2 3.28Å; Q273-F319 WeakPolarHBondContact O-CE2 3.46Å; L274-F319 WeakPolarHBondContact O-CE2 3.29Å; G275-F319 VanDerWaalsContact CA-CD2 3.44Å; G275-F319 VanDerWaalsContact N-CD2 3.3Å; H305-F319 CarbonylContact C-O 3.54Å; H305-F319 VanDerWaalsContact CA-O 3.3Å; H305-F319 WeakPolarHBondContact CA-O 3.29Å; H305-F319 WeakPolarHBondContact CB-O 3.48Å; T306-F319 VanDerWaalsContact CB-CE2 3.46Å; T306-F319 HydrophobicContact CG2-CE1 4.11Å; T306-F319 HydrophobicContact CG2-CE2 3.85Å; T306-F319 HydrophobicContact CG2-CZ 3.47Å; T306-F319 VanDerWaalsContact CG2-CZ 3.47Å; T306-F319 PolarHBondContact N-O 3.02Å; T306-F319 PolarHBondContact O-N 3.44Å; F319-I337 WeakPolarHBondContact CB-O 3.27Å; F319-P338 HydrophobicContact CD1-CB 3.67Å; F319-P338 HydrophobicContact CD1-CG 3.71Å; F319-P338 HydrophobicContact CE1-CB 4.05Å; F319-P338 HydrophobicContact CE1-CG 3.87Å; F319-P338 HydrophobicContact CG-CB 4.49Å; F319-P338 HydrophobicContact CG-CG 4.28Å
320	G	97.1	Very high	89.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.9	-149.2	-173.3	0	0	0	0	0	113.7	H271 G272 Q273 G322 L327 D334 Q335	H271-G320 CarbonylContact O-C 3.59Å; H271-G320 WeakPolarHBondContact O-CA 3.48Å; G272-G320 PolarHBondContact O-N 2.94Å; Q273-G320 VanDerWaalsContact CA-CA 3.49Å; G320-G322 PolarHBondContact O-N 3.1Å; G320-L327 WeakPolarHBondContact O-CD1 3.3Å; G320-D334 CarbonylContact O-C 3.5Å; G320-D334 VanDerWaalsContact O-CA 3.26Å; G320-D334 WeakPolarHBondContact O-CA 3.32Å; G320-Q335 PolarHBondContact N-O 3.47Å; G320-Q335 PolarHBondContact O-N 3.42Å
321	S	95.6	Very high	88.7	Confident	4 Å²	4	32.6 Å²	32.6	3%	0.028	20%	0.196	C	C	.	.			trans	-65.7	128.7	-175.9	-167.9	0	0	0	0	111.7	W304 Q326 L327 D334	W304-S321 WeakPolarHBondContact O-CB 3.42Å; W304-S321 PolarHBondContact O-N 2.87Å; S321-Q326 WeakPolarHBondContact O-CG 3.34Å; S321-Q326 PolarHBondContact O-NE2 2.8Å; S321-Q326 PolarHBondContact O-OE1 2.76Å; S321-L327 WeakPolarHBondContact O-CD2 3.4Å; S321-L327 WeakPolarHBondContact O-CG 3.34Å; S321-D334 WeakPolarHBondContact CA-OD1 3.46Å; S321-D334 PolarHBondContact OG-OD1 3.35Å
322	G	92.2	Very high	88.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.			trans	-105	-4.3	177	0	0	0	0	0	114.1	G320 D324 G325 Q326 T332 D334	G320-G322 PolarHBondContact O-N 3.1Å; G322-D324 PolarHBondContact O-N 3.41Å; G322-G325 WeakPolarHBondContact O-CA 3.41Å; G322-G325 PolarHBondContact O-N 3.04Å; G322-Q326 PolarHBondContact O-OE1 2.77Å; G322-T332 CarbonylContact C-O 3.09Å; G322-T332 CarbonylContact O-C 3.54Å; G322-T332 WeakPolarHBondContact O-CA 3.47Å; G322-D334 PolarHBondContact N-OD1 2.86Å
323	K	90.6	Very high	89.3	Confident	133 Å²	133	38.3 Å²	38.3	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.7	-165.1	-66	-175.8	179.4	-179.8	0	115.3	T332	K323-T332 WeakPolarHBondContact CA-O 3.38Å; K323-T332 PolarHBondContact N-O 3.44Å
324	D	86.8	Confident	89.9	Confident	76 Å²	76	37.1 Å²	37.1	41%	0.406	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4.6	-179.8	-64.2	-58.5	0	0	0	111.9	P37 G322 Q326 N367	P37-D324 WeakPolarHBondContact CB-O 3.39Å; P37-D324 WeakPolarHBondContact CD-O 3.48Å; P37-D324 HydrophobicContact CG-CB 4.48Å; P37-D324 WeakPolarHBondContact CG-O 3.38Å; G322-D324 PolarHBondContact O-N 3.41Å; D324-Q326 VanDerWaalsContact C-N 3.31Å; D324-N367 HydrophobicContact CB-CB 4.24Å; D324-N367 VanDerWaalsContact OD2-CB 3.23Å; D324-N367 WeakPolarHBondContact OD2-CB 3.24Å; D324-N367 VanDerWaalsContact OD2-CG 3.31Å; D324-N367 PolarHBondContact OD2-ND2 2.84Å
325	G	88.7	Confident	90.5	Very high	18 Å²	18	38.7 Å²	38.7	19%	0.186	23%	0.229	C	C	.	.	S	Bend	trans	76.8	14.9	-174.9	0	0	0	0	0	114	G322 L327 G328	G322-G325 WeakPolarHBondContact O-CA 3.41Å; G322-G325 PolarHBondContact O-N 3.04Å; G325-L327 PolarHBondContact O-N 3.12Å; G325-G328 PolarHBondContact O-N 2.92Å
326	Q	90.4	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.8	-175.2	65.5	-91.3	54.4	0	0	114.4	H305 S321 G322 D324 G328 N367 S369	H305-Q326 HydrophobicContact CB-CG 4.48Å; S321-Q326 WeakPolarHBondContact O-CG 3.34Å; S321-Q326 PolarHBondContact O-NE2 2.8Å; S321-Q326 PolarHBondContact O-OE1 2.76Å; G322-Q326 PolarHBondContact O-OE1 2.77Å; D324-Q326 VanDerWaalsContact C-N 3.31Å; Q326-G328 VanDerWaalsContact C-N 3.31Å; Q326-N367 WeakPolarHBondContact CB-O 3.41Å; Q326-S369 WeakPolarHBondContact O-CB 3.22Å; Q326-S369 PolarHBondContact O-OG 2.85Å
327	L	91.7	Very high	91.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.1	177.8	-56.3	179.1	0	0	0	112.7	H305 S318 G320 S321 G325 N329 Q335	H305-L327 HydrophobicContact CB-CD2 3.73Å; S318-L327 PolarHBondContact OG-O 3.22Å; G320-L327 WeakPolarHBondContact O-CD1 3.3Å; S321-L327 WeakPolarHBondContact O-CD2 3.4Å; S321-L327 WeakPolarHBondContact O-CG 3.34Å; G325-L327 PolarHBondContact O-N 3.12Å; L327-N329 PolarHBondContact O-N 3.48Å; L327-N329 VanDerWaalsContact O-N 3.09Å; L327-Q335 HydrophobicContact CD1-CB 3.88Å; L327-Q335 HydrophobicContact CD1-CG 3.43Å; L327-Q335 VanDerWaalsContact CD1-CG 3.43Å
328	G	87.8	Confident	91.2	Very high	7 Å²	7	37.4 Å²	37.4	7%	0.072	23%	0.228	C	C	.	.			trans	62.9	17.8	177.7	0	0	0	0	0	115.3	G325 Q326 G330 K342	G325-G328 PolarHBondContact O-N 2.92Å; Q326-G328 VanDerWaalsContact C-N 3.31Å; G328-G330 VanDerWaalsContact C-N 3.3Å; G328-K342 WeakPolarHBondContact O-CA 3.11Å; G328-K342 PolarHBondContact O-N 3.01Å
329	N	84.1	Confident	91.1	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.08	24%	0.242	C	C	.	.	S	Bend	trans	-88.6	5.8	176.5	64.3	5.5	0	0	0	113.6	L327 G331 Q335 K342	L327-N329 PolarHBondContact O-N 3.48Å; L327-N329 VanDerWaalsContact O-N 3.09Å; N329-G331 PolarHBondContact OD1-N 3.49Å; N329-G331 VanDerWaalsContact OD1-N 3.12Å; N329-Q335 VanDerWaalsContact ND2-CG 3.31Å; N329-Q335 WeakPolarHBondContact ND2-CG 2.95Å; N329-K342 VanDerWaalsContact O-CD 3.25Å; N329-K342 WeakPolarHBondContact O-CD 3.43Å; N329-K342 WeakPolarHBondContact O-CE 3.46Å; N329-K342 PolarHBondContact O-NZ 3.11Å
330	G	77.1	Confident	90.8	Very high	80 Å²	80	43 Å²	43	83%	0.825	26%	0.261	S	S	*	.	S	Bend	trans	82.3	6.6	179.9	0	0	0	0	0	115.1	G328	G328-G330 VanDerWaalsContact C-N 3.3Å
331	G	81.9	Confident	90.4	Very high	32 Å²	32	43.8 Å²	43.8	33%	0.33	27%	0.265	S	S	.	.	S	Bend	trans	-123.7	175.6	175.8	0	0	0	0	0	113.2	N329	N329-G331 PolarHBondContact OD1-N 3.49Å; N329-G331 VanDerWaalsContact OD1-N 3.12Å
332	T	87.1	Confident	89.8	Confident	94 Å²	94	50.8 Å²	50.8	58%	0.577	30%	0.295	S	S	*	.			trans	-112.6	6.7	175.9	54.2	0	0	0	0	113.7	G322 K323	G322-T332 CarbonylContact C-O 3.09Å; G322-T332 CarbonylContact O-C 3.54Å; G322-T332 WeakPolarHBondContact O-CA 3.47Å; K323-T332 WeakPolarHBondContact CA-O 3.38Å; K323-T332 PolarHBondContact N-O 3.44Å
333	L	92.8	Very high	88.7	Confident	128 Å²	128	52.2 Å²	52.2	67%	0.67	30%	0.304	S	S	*	.	S	Bend	trans	-86.1	140.3	-178.6	-65.5	175	0	0	0	111.1	Q335	L333-Q335 PolarHBondContact O-NE2 3Å; L333-Q335 VanDerWaalsContact O-NE2 3.09Å
334	D	95.3	Very high	87.1	Confident	51 Å²	51	50 Å²	50	27%	0.273	31%	0.305	S	S	.	.			trans	-57.9	141	171	-67.6	-2.5	0	0	0	110	H271 G320 S321 G322	H271-D334 IonicContact CE1-OD2 3.61Å; H271-D334 IonicContact CG-OD2 3.39Å; H271-D334 IonicContact ND1-OD2 2.78Å; H271-D334 PolarHBondContact ND1-OD2 2.95Å; G320-D334 CarbonylContact O-C 3.5Å; G320-D334 VanDerWaalsContact O-CA 3.26Å; G320-D334 WeakPolarHBondContact O-CA 3.32Å; S321-D334 WeakPolarHBondContact CA-OD1 3.46Å; S321-D334 PolarHBondContact OG-OD1 3.35Å; G322-D334 PolarHBondContact N-OD1 2.86Å
335	Q	95.8	Very high	85.2	Confident	39 Å²	39	51.8 Å²	51.8	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.8	-179.4	-60.9	-56	-46.9	0	0	109.8	G320 L327 N329 L333 L339	G320-Q335 PolarHBondContact N-O 3.47Å; G320-Q335 PolarHBondContact O-N 3.42Å; L327-Q335 HydrophobicContact CD1-CB 3.88Å; L327-Q335 HydrophobicContact CD1-CG 3.43Å; L327-Q335 VanDerWaalsContact CD1-CG 3.43Å; N329-Q335 VanDerWaalsContact ND2-CG 3.31Å; N329-Q335 WeakPolarHBondContact ND2-CG 2.95Å; L333-Q335 PolarHBondContact O-NE2 3Å; L333-Q335 VanDerWaalsContact O-NE2 3.09Å; Q335-L339 HydrophobicContact CG-CD1 4.38Å
336	L	96.2	Very high	83.1	Confident	53 Å²	53	56.4 Å²	56.4	28%	0.277	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-15.1	-177.8	-52.6	-175.1	0	0	0	113.4	G272 G275 H276 N277 T279	G272-L336 VanDerWaalsContact CA-CD2 3.47Å; G275-L336 CarbonylContact C-O 3.39Å; G275-L336 VanDerWaalsContact CA-O 3.26Å; G275-L336 WeakPolarHBondContact CA-O 3.24Å; H276-L336 PolarHBondContact N-O 3.49Å; N277-L336 WeakPolarHBondContact CA-O 3.43Å; N277-L336 PolarHBondContact N-O 3.07Å; T279-L336 HydrophobicContact CG2-CD1 4.2Å; T279-L336 HydrophobicContact CG2-CD2 3.78Å
337	I	95.3	Very high	81.2	Confident	47 Å²	47	59.6 Å²	59.6	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.2	178	58.3	170.9	0	0	0	110.5	N277 E290 F319 L339	N277-I337 HydrophobicContact CB-CG2 3.44Å; N277-I337 VanDerWaalsContact CB-CG2 3.44Å; E290-I337 HydrophobicContact CG-CB 4.37Å; E290-I337 HydrophobicContact CG-CG2 4.3Å; F319-I337 WeakPolarHBondContact CB-O 3.27Å; I337-L339 HydrophobicContact CD1-CD2 4.08Å; I337-L339 HydrophobicContact CG1-CD2 4.19Å; I337-L339 HydrophobicContact CG1-CG 4.29Å; I337-L339 PolarHBondContact O-N 2.95Å
338	P	95.9	Very high	78.9	Confident	8 Å²	8	66.1 Å²	66.1	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	119.8	173.8	-20.3	32.3	0	0	0	111.6	G275 V288 E290 L291 F317 F319	G275-P338 WeakPolarHBondContact O-CD 3.4Å; V288-P338 HydrophobicContact CG1-CG 3.57Å; E290-P338 HydrophobicContact CB-CG 4.19Å; L291-P338 HydrophobicContact CD1-CB 4.36Å; L291-P338 HydrophobicContact CD1-CG 4.26Å; L291-P338 HydrophobicContact CD2-CB 3.98Å; L291-P338 HydrophobicContact CD2-CG 4.37Å; L291-P338 HydrophobicContact CG-CB 4.19Å; L291-P338 HydrophobicContact CG-CG 4.06Å; F317-P338 HydrophobicContact CB-CB 4.04Å; F317-P338 HydrophobicContact CD1-CB 4.08Å; F317-P338 HydrophobicContact CG-CB 4.45Å; F319-P338 HydrophobicContact CD1-CB 3.67Å; F319-P338 HydrophobicContact CD1-CG 3.71Å; F319-P338 HydrophobicContact CE1-CB 4.05Å; F319-P338 HydrophobicContact CE1-CG 3.87Å; F319-P338 HydrophobicContact CG-CB 4.49Å; F319-P338 HydrophobicContact CG-CG 4.28Å
339	L	93.3	Very high	77.2	Confident	57 Å²	57	68 Å²	68	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.4	173.7	-68	-175.5	0	0	0	111.6	F317 S318 Q335 I337 V341	F317-L339 CarbonylContact C-O 3.58Å; F317-L339 VanDerWaalsContact CA-O 3.3Å; F317-L339 WeakPolarHBondContact CA-O 3.1Å; S318-L339 PolarHBondContact N-O 3.49Å; S318-L339 PolarHBondContact O-N 3.18Å; Q335-L339 HydrophobicContact CG-CD1 4.38Å; I337-L339 HydrophobicContact CD1-CD2 4.08Å; I337-L339 HydrophobicContact CG1-CD2 4.19Å; I337-L339 HydrophobicContact CG1-CG 4.29Å; I337-L339 PolarHBondContact O-N 2.95Å; L339-V341 PolarHBondContact O-N 2.87Å
340	P	90.8	Very high	75.4	Confident	60 Å²	60	75.8 Å²	75.8	39%	0.39	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	134.8	179.7	26.4	-34.1	0	0	0	111.5	V316 K342	V316-P340 CarbonylContact O-C 3.58Å; V316-P340 WeakPolarHBondContact O-CA 3.44Å; P340-K342 PolarHBondContact O-N 3.04Å
341	V	89.3	Confident	74.1	Confident	17 Å²	17	74 Å²	74	10%	0.103	41%	0.411	C	S	.	.			trans	-64.8	130.8	172.5	179.2	0	0	0	0	108.9	F36 V316 L339 V343 L371	F36-V341 HydrophobicContact CD2-CG1 4.48Å; F36-V341 HydrophobicContact CE1-CG1 4.47Å; F36-V341 HydrophobicContact CE2-CG1 3.76Å; F36-V341 HydrophobicContact CZ-CG1 3.74Å; V316-V341 HydrophobicContact CB-CB 4.43Å; V316-V341 HydrophobicContact CB-CG2 4.07Å; V316-V341 HydrophobicContact CG1-CG2 3.78Å; V316-V341 PolarHBondContact O-N 3.39Å; L339-V341 PolarHBondContact O-N 2.87Å; V341-V343 PolarHBondContact O-N 3.32Å; V341-L371 HydrophobicContact CG1-CD1 4.26Å
342	K	82.2	Confident	72.2	Confident	150 Å²	150	77.3 Å²	77.3	65%	0.652	42%	0.418	S	S	*	.			trans	-84.5	107.6	178.7	-70.8	-170.5	-170.6	161.3	0	110.3	G328 N329 P340	G328-K342 WeakPolarHBondContact O-CA 3.11Å; G328-K342 PolarHBondContact O-N 3.01Å; N329-K342 VanDerWaalsContact O-CD 3.25Å; N329-K342 WeakPolarHBondContact O-CD 3.43Å; N329-K342 WeakPolarHBondContact O-CE 3.46Å; N329-K342 PolarHBondContact O-NZ 3.11Å; P340-K342 PolarHBondContact O-N 3.04Å
343	V	69.1	Low	70	Confident	30 Å²	30	76.4 Å²	76.4	18%	0.182	42%	0.416	C	S	.	.			trans	-98	132.1	170.2	-171.2	0	0	0	0	108.3	W34 V341 S345 L349	W34-V343 HydrophobicContact CD2-CG1 4.28Å; W34-V343 HydrophobicContact CG-CG1 4.49Å; W34-V343 HydrophobicContact CZ2-CG1 3.61Å; V341-V343 PolarHBondContact O-N 3.32Å; V343-S345 PolarHBondContact O-N 2.91Å; V343-L349 HydrophobicContact CG2-CD1 3.97Å
344	S	56.8	Low	67.6	Low	86 Å²	86	79.6 Å²	79.6	60%	0.601	43%	0.427	S	S	*	.			trans	-59.5	133.5	-172.8	36.7	0	0	0	0	113	S346 E347	S344-S346 VanDerWaalsContact C-N 3.3Å; S344-S346 PolarHBondContact O-N 3.22Å; S344-E347 PolarHBondContact O-N 2.96Å
345	S	46.7	Very low	65.2	Low	114 Å²	114	82.9 Å²	82.9	80%	0.797	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	6.8	-158.5	55.7	0	0	0	0	119.2	V343 E347	V343-S345 PolarHBondContact O-N 2.91Å; S345-E347 VanDerWaalsContact C-N 3.35Å
346	S	45.8	Very low	63.3	Low	115 Å²	115	82.9 Å²	82.9	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.3	166.9	62	0	0	0	0	113	S344	S344-S346 VanDerWaalsContact C-N 3.3Å; S344-S346 PolarHBondContact O-N 3.22Å
347	E	50.2	Low	61.8	Low	68 Å²	68	86.7 Å²	86.7	32%	0.318	47%	0.469	S	S	.	.	S	Bend	trans	-132.2	61.7	-177.7	-61.3	-178.9	146.9	0	0	108.6	Q32 S344 S345 L349	Q32-E347 PolarHBondContact NE2-OE1 3.12Å; S344-E347 PolarHBondContact O-N 2.96Å; S345-E347 VanDerWaalsContact C-N 3.35Å; E347-L349 PolarHBondContact O-N 3.2Å
348	E	44.1	Very low	60.5	Low	137 Å²	137	87.4 Å²	87.4	64%	0.64	47%	0.471	S	S	*	.			trans	-53	127.8	166.8	-79.2	-177.3	157.3	0	0	108.2	K350	E348-K350 HydrophobicContact CB-CG 4.19Å; E348-K350 PolarHBondContact O-N 2.96Å; E348-K350 WeakPolarHBondContact OE2-CE 3.37Å; E348-K350 IonicContact OE2-NZ 2.74Å
349	L	51.2	Low	59.6	Low	47 Å²	47	90 Å²	90	25%	0.246	48%	0.483	C	S	.	.			trans	-63.1	63.4	164.3	-71.2	161.8	0	0	0	108.7	V343 E347 L351 W373	V343-L349 HydrophobicContact CG2-CD1 3.97Å; E347-L349 PolarHBondContact O-N 3.2Å; L349-L351 PolarHBondContact O-N 3.24Å; L349-W373 HydrophobicContact CD2-CZ2 4.39Å
350	K	45.6	Very low	59.1	Low	178 Å²	178	87.7 Å²	87.7	77%	0.774	47%	0.47	S	S	*	.			trans	-75.4	80	164.8	-77.7	-168	-176.5	177.7	0	106.4	E348	E348-K350 HydrophobicContact CB-CG 4.19Å; E348-K350 PolarHBondContact O-N 2.96Å; E348-K350 WeakPolarHBondContact OE2-CE 3.37Å; E348-K350 IonicContact OE2-NZ 2.74Å
351	L	51.4	Low	58.8	Low	43 Å²	43	85.8 Å²	85.8	23%	0.225	46%	0.457	C	S	.	.			trans	-139.3	96.4	-175.6	-159.8	127.7	0	0	0	110.8	L349 W373	L349-L351 PolarHBondContact O-N 3.24Å; L351-W373 HydrophobicContact CB-CH2 4.48Å; L351-W373 HydrophobicContact CB-CZ2 4.26Å; L351-W373 HydrophobicContact CD1-CE3 4.1Å; L351-W373 HydrophobicContact CD1-CH2 3.14Å; L351-W373 HydrophobicContact CD1-CZ2 3.49Å; L351-W373 VanDerWaalsContact CD1-CZ2 3.49Å; L351-W373 HydrophobicContact CD1-CZ3 3.39Å; L351-W373 HydrophobicContact CD2-CH2 3.02Å; L351-W373 HydrophobicContact CD2-CZ2 3.43Å; L351-W373 VanDerWaalsContact CD2-CZ2 3.43Å; L351-W373 HydrophobicContact CD2-CZ3 4.02Å; L351-W373 HydrophobicContact CG-CH2 3.57Å; L351-W373 HydrophobicContact CG-CZ2 3.83Å; L351-W373 HydrophobicContact CG-CZ3 4.27Å
352	E	41.9	Very low	58.8	Low	101 Å²	101	85.8 Å²	85.8	47%	0.472	46%	0.455	S	S	.	.				-167.2	115.7	127.2	-102.6	175.5	-153.4	0	0	109.1	Y309 S311	Y309-E352 PolarHBondContact OH-OE1 3.11Å; S311-E352 VanDerWaalsContact CA-OE1 3.31Å; S311-E352 WeakPolarHBondContact CA-OE1 3.46Å; S311-E352 VanDerWaalsContact CB-OE1 3.23Å; S311-E352 WeakPolarHBondContact CB-OE1 3.24Å; S311-E352 VanDerWaalsContact O-OE2 3.07Å
353	S	39.7	Very low	59.1	Low	76 Å²	76	79.4 Å²	79.4	53%	0.531	43%	0.429	S	S	.	.			trans	-133.7	143.7	141.1	57.7	0	0	0	0	105.9	T355 S356	S353-T355 PolarHBondContact O-N 3.29Å; S353-T355 PolarHBondContact OG-OG1 3.46Å; S353-T355 VanDerWaalsContact OG-OG1 3.1Å; S353-S356 PolarHBondContact O-N 2.88Å; S353-S356 VanDerWaalsContact O-N 3.12Å
354	H	43.6	Very low	60.2	Low	194 Å²	194	78.8 Å²	78.8	90%	0.898	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	5.9	-173.6	-67.7	-75.2	0	0	0	115.4
355	T	43.7	Very low	61.5	Low	121 Å²	121	75.2 Å²	75.2	74%	0.742	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.1	178.1	47.6	0	0	0	0	114.4	S353 E357	S353-T355 PolarHBondContact O-N 3.29Å; S353-T355 PolarHBondContact OG-OG1 3.46Å; S353-T355 VanDerWaalsContact OG-OG1 3.1Å; T355-E357 PolarHBondContact O-N 2.89Å
356	S	56.5	Low	63.4	Low	39 Å²	39	70.3 Å²	70.3	27%	0.273	37%	0.37	S	S	.	.			trans	-72.6	126.1	-177.7	-167.3	0	0	0	0	113	S353 K358 K376	S353-S356 PolarHBondContact O-N 2.88Å; S353-S356 VanDerWaalsContact O-N 3.12Å; S356-K358 PolarHBondContact O-N 3.47Å; S356-K376 WeakPolarHBondContact O-CE 3.31Å; S356-K376 PolarHBondContact O-NZ 2.94Å
357	E	63.9	Low	65.3	Low	132 Å²	132	67.5 Å²	67.5	62%	0.617	35%	0.347	S	S	*	.	S	Bend	trans	-70.5	-1.7	175	-71.1	-175.5	172.1	0	0	113.8	T355 K375 K376	T355-E357 PolarHBondContact O-N 2.89Å; E357-K375 CarbonylContact O-C 3.58Å; E357-K375 VanDerWaalsContact O-CA 3.27Å; E357-K375 WeakPolarHBondContact O-CA 3.42Å; E357-K376 PolarHBondContact O-N 3.22Å
358	K	68.7	Low	67.1	Low	63 Å²	63	65.3 Å²	65.3	27%	0.274	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.7	-177.2	-56.9	-175.9	-175	-174.6	0	112.3	D30 S356 W373 I374 K375	D30-K358 PolarHBondContact O-NZ 2.68Å; S356-K358 PolarHBondContact O-N 3.47Å; K358-W373 HydrophobicContact CB-CE3 3.49Å; K358-W373 VanDerWaalsContact CB-CE3 3.49Å; K358-W373 HydrophobicContact CB-CZ3 3.47Å; K358-W373 VanDerWaalsContact CB-CZ3 3.47Å; K358-W373 HydrophobicContact CD-CE3 4.27Å; K358-I374 CarbonylContact C-O 3.52Å; K358-I374 WeakPolarHBondContact CA-O 3.11Å; K358-I374 WeakPolarHBondContact CB-O 3.4Å; K358-K375 HydrophobicContact CG-CG 4.09Å
359	E	77.3	Confident	69.3	Low	63 Å²	63	58.9 Å²	58.9	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.3	173.7	67.1	-178	-171.9	0	0	110.8	I361 I374 K376	E359-I361 HydrophobicContact CG-CD1 4.4Å; E359-I374 HydrophobicContact CG-CG2 3.62Å; E359-I374 PolarHBondContact N-O 2.8Å; E359-I374 PolarHBondContact O-N 2.91Å; E359-K376 HydrophobicContact CB-CG 4.11Å; E359-K376 HydrophobicContact CG-CG 4.39Å
360	L	81.9	Confident	71.1	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.8	173.2	174.4	65.8	0	0	0	109.5	Q298 Y309 V316 M362 L371 W373	Q298-L360 PolarHBondContact NE2-O 3.46Å; Q298-L360 PolarHBondContact OE1-O 3.23Å; Y309-L360 HydrophobicContact CD2-CD2 3.58Å; Y309-L360 HydrophobicContact CE2-CD2 3.83Å; Y309-L360 HydrophobicContact CG-CD2 4.17Å; V316-L360 HydrophobicContact CG2-CD2 3.54Å; L360-M362 HydrophobicContact CD2-CG 4.48Å; L360-M362 HydrophobicContact CG-CG 4.5Å; L360-L371 HydrophobicContact CD1-CB 4.12Å; L360-W373 HydrophobicContact CB-CH2 4.09Å; L360-W373 HydrophobicContact CB-CZ2 3.68Å; L360-W373 HydrophobicContact CD1-CG 4.43Å
361	I	84.9	Confident	73.1	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.108	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	171.8	-56.4	-63.6	0	0	0	109.3	E359 I363 L372 I374 Y380	E359-I361 HydrophobicContact CG-CD1 4.4Å; I361-I363 HydrophobicContact CG2-CD1 4.33Å; I361-I363 HydrophobicContact CG2-CG1 4.05Å; I361-L372 HydrophobicContact CB-CB 4.43Å; I361-L372 PolarHBondContact N-O 3.4Å; I361-L372 PolarHBondContact O-N 3.07Å; I361-I374 HydrophobicContact CG1-CG2 4.29Å; I361-Y380 HydrophobicContact CB-CD2 4.46Å; I361-Y380 HydrophobicContact CD1-CD1 4.13Å; I361-Y380 HydrophobicContact CD1-CG 3.94Å; I361-Y380 HydrophobicContact CG1-CD1 4.37Å; I361-Y380 HydrophobicContact CG1-CD2 4Å; I361-Y380 HydrophobicContact CG1-CG 3.89Å; I361-Y380 HydrophobicContact CG2-CD1 3.97Å; I361-Y380 HydrophobicContact CG2-CD2 4.04Å; I361-Y380 HydrophobicContact CG2-CE1 3.75Å; I361-Y380 HydrophobicContact CG2-CE2 3.83Å; I361-Y380 HydrophobicContact CG2-CG 4.12Å
362	M	89.3	Confident	74.6	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.8	176.6	-62.6	170.6	59.8	0	0	111.1	Q298 A300 L307 Y309 V316 L360 L371	Q298-M362 HydrophobicContact CB-SD 3.91Å; A300-M362 HydrophobicContact CB-CB 4.3Å; L307-M362 VanDerWaalsContact C-CE 3.44Å; L307-M362 HydrophobicContact CB-CE 3.1Å; L307-M362 HydrophobicContact CD1-CE 4.09Å; L307-M362 HydrophobicContact CG-CE 4.25Å; Y309-M362 WeakPolarHBondContact CB-SD 3.4Å; Y309-M362 HydrophobicContact CG-SD 4.48Å; Y309-M362 PolarHBondContact N-SD 2.91Å; V316-M362 HydrophobicContact CG1-CE 3.73Å; V316-M362 HydrophobicContact CG1-SD 4.34Å; V316-M362 HydrophobicContact CG2-SD 4.4Å; L360-M362 HydrophobicContact CD2-CG 4.48Å; L360-M362 HydrophobicContact CG-CG 4.5Å; M362-L371 HydrophobicContact CB-CD2 4.43Å; M362-L371 HydrophobicContact CG-CD2 3.88Å
363	I	89.4	Confident	76.3	Confident	17 Å²	17	42 Å²	42	9%	0.087	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.9	179.2	-49.6	172	0	0	0	107.5	I56 I361 S369 I370 Y380	I56-I363 HydrophobicContact CB-CD1 3.62Å; I56-I363 HydrophobicContact CG1-CD1 4.42Å; I56-I363 HydrophobicContact CG2-CD1 4.34Å; I361-I363 HydrophobicContact CG2-CD1 4.33Å; I361-I363 HydrophobicContact CG2-CG1 4.05Å; I363-S369 CarbonylContact O-C 3.59Å; I363-S369 WeakPolarHBondContact O-CA 3.48Å; I363-I370 HydrophobicContact CB-CB 4.23Å; I363-I370 PolarHBondContact N-O 3.13Å; I363-I370 PolarHBondContact O-N 3.33Å; I363-Y380 HydrophobicContact CD1-CE2 4.38Å; I363-Y380 WeakPolarHBondContact CD1-OH 3.26Å
364	A	90.8	Very high	77.9	Confident	17 Å²	17	38.6 Å²	38.6	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.9	172.4	0	0	0	0	0	108.2	A300 C301 L307 Q368	A300-A364 HydrophobicContact CB-CB 3.87Å; C301-A364 VanDerWaalsContact C-CB 3.47Å; C301-A364 CarbonylContact O-C 3.59Å; L307-A364 HydrophobicContact CD1-CB 4.09Å; L307-A364 HydrophobicContact CG-CB 4.33Å; A364-Q368 WeakPolarHBondContact CA-O 3.27Å
365	G	85.3	Confident	79.2	Confident	10 Å²	10	32.6 Å²	32.6	10%	0.103	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	141	179.3	0	0	0	0	0	111.5	C58 N367 Q368	C58-G365 WeakPolarHBondContact O-CA 3.27Å; G365-N367 PolarHBondContact O-N 3.39Å; G365-Q368 PolarHBondContact N-O 3.29Å; G365-Q368 VanDerWaalsContact N-O 3.07Å; G365-Q368 PolarHBondContact O-N 3.31Å
366	G	85.4	Confident	80.5	Confident	11 Å²	11	32.2 Å²	32.2	11%	0.113	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-128.9	-164.7	0	0	0	0	0	110.9	R303	R303-G366 VanDerWaalsContact CB-O 3.3Å; R303-G366 WeakPolarHBondContact CB-O 3.49Å; R303-G366 PolarHBondContact N-O 3.46Å
367	N	87.6	Confident	80.7	Confident	57 Å²	57	37.7 Å²	37.7	31%	0.305	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	38.9	176	-56.4	-9.4	0	0	0	111	D324 Q326 G365	D324-N367 HydrophobicContact CB-CB 4.24Å; D324-N367 VanDerWaalsContact OD2-CB 3.23Å; D324-N367 WeakPolarHBondContact OD2-CB 3.24Å; D324-N367 VanDerWaalsContact OD2-CG 3.31Å; D324-N367 PolarHBondContact OD2-ND2 2.84Å; Q326-N367 WeakPolarHBondContact CB-O 3.41Å; G365-N367 PolarHBondContact O-N 3.39Å
368	Q	87.9	Confident	80.5	Confident	22 Å²	22	32.4 Å²	32.4	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.9	-178.2	-62.6	-178.5	-12.9	0	0	111.5	F36 A364 G365	F36-Q368 CarbonylContact O-C 3.49Å; F36-Q368 WeakPolarHBondContact O-CA 3.39Å; A364-Q368 WeakPolarHBondContact CA-O 3.27Å; G365-Q368 PolarHBondContact N-O 3.29Å; G365-Q368 VanDerWaalsContact N-O 3.07Å; G365-Q368 PolarHBondContact O-N 3.31Å
369	S	90.1	Very high	79.8	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	169.2	-76.3	0	0	0	0	109.9	F36 H305 L307 Q326 I363	F36-S369 PolarHBondContact N-O 3.45Å; F36-S369 PolarHBondContact O-N 2.9Å; H305-S369 PolarHBondContact CD2-OG 3.37Å; H305-S369 PolarHBondContact NE2-OG 3.12Å; L307-S369 WeakPolarHBondContact CD1-OG 3.36Å; Q326-S369 WeakPolarHBondContact O-CB 3.22Å; Q326-S369 PolarHBondContact O-OG 2.85Å; I363-S369 CarbonylContact O-C 3.59Å; I363-S369 WeakPolarHBondContact O-CA 3.48Å
370	I	88.1	Confident	79.2	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	178	-58.2	177.8	0	0	0	108.7	L33 W34 L35 I56 C58 L63 I363	L33-I370 HydrophobicContact CD1-CG2 3.57Å; W34-I370 WeakPolarHBondContact O-CA 3.46Å; L35-I370 HydrophobicContact CD1-CD1 3.9Å; L35-I370 HydrophobicContact CD1-CG1 3.5Å; I56-I370 HydrophobicContact CG2-CD1 3.86Å; C58-I370 WeakPolarHBondContact SG-CD1 3.17Å; L63-I370 HydrophobicContact CD1-CD1 3.75Å; I363-I370 HydrophobicContact CB-CB 4.23Å; I363-I370 PolarHBondContact N-O 3.13Å; I363-I370 PolarHBondContact O-N 3.33Å
371	L	87.3	Confident	78.2	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124	169.9	-56.6	-178.2	0	0	0	108.1	L33 W34 F36 V316 V341 L360 M362	L33-L371 WeakPolarHBondContact CA-O 3.49Å; W34-L371 HydrophobicContact CB-CB 4.28Å; W34-L371 HydrophobicContact CE3-CB 4.05Å; W34-L371 PolarHBondContact N-O 3.09Å; W34-L371 PolarHBondContact O-N 3.46Å; F36-L371 HydrophobicContact CE2-CD1 4.07Å; F36-L371 HydrophobicContact CE2-CG 4.29Å; V316-L371 HydrophobicContact CB-CD1 4.34Å; V316-L371 HydrophobicContact CG1-CD2 4.13Å; V316-L371 HydrophobicContact CG2-CD1 4.09Å; V316-L371 HydrophobicContact CG2-CD2 4.06Å; V341-L371 HydrophobicContact CG1-CD1 4.26Å; L360-L371 HydrophobicContact CD1-CB 4.12Å; M362-L371 HydrophobicContact CB-CD2 4.43Å; M362-L371 HydrophobicContact CG-CD2 3.88Å
372	L	82.8	Confident	76.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.3	-178.8	178.3	68.3	0	0	0	110	L33 A50 I361 Y380	L33-L372 HydrophobicContact CB-CD1 4.45Å; L33-L372 HydrophobicContact CD1-CB 4.36Å; L33-L372 HydrophobicContact CD1-CD1 3.9Å; A50-L372 HydrophobicContact CB-CD1 4.04Å; I361-L372 HydrophobicContact CB-CB 4.43Å; I361-L372 PolarHBondContact N-O 3.4Å; I361-L372 PolarHBondContact O-N 3.07Å; L372-Y380 HydrophobicContact CD2-CE2 4.47Å
373	W	78	Confident	75.1	Confident	10 Å²	10	38.7 Å²	38.7	4%	0.038	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.7	172.1	-96.1	82.1	0	0	0	109.9	Q32 W34 L349 L351 K358 L360	Q32-W373 HydrophobicContact CB-CB 4.2Å; Q32-W373 PolarHBondContact O-N 2.79Å; W34-W373 AromaticContact CH2-CD1 3.78Å; W34-W373 HydrophobicContact CH2-CG 4.45Å; W34-W373 HydrophobicContact CZ3-CB 4.32Å; W34-W373 AromaticContact CZ3-CD1 3.36Å; W34-W373 HydrophobicContact CZ3-CG 4.1Å; L349-W373 HydrophobicContact CD2-CZ2 4.39Å; L351-W373 HydrophobicContact CB-CH2 4.48Å; L351-W373 HydrophobicContact CB-CZ2 4.26Å; L351-W373 HydrophobicContact CD1-CE3 4.1Å; L351-W373 HydrophobicContact CD1-CH2 3.14Å; L351-W373 HydrophobicContact CD1-CZ2 3.49Å; L351-W373 VanDerWaalsContact CD1-CZ2 3.49Å; L351-W373 HydrophobicContact CD1-CZ3 3.39Å; L351-W373 HydrophobicContact CD2-CH2 3.02Å; L351-W373 HydrophobicContact CD2-CZ2 3.43Å; L351-W373 VanDerWaalsContact CD2-CZ2 3.43Å; L351-W373 HydrophobicContact CD2-CZ3 4.02Å; L351-W373 HydrophobicContact CG-CH2 3.57Å; L351-W373 HydrophobicContact CG-CZ2 3.83Å; L351-W373 HydrophobicContact CG-CZ3 4.27Å; K358-W373 HydrophobicContact CB-CE3 3.49Å; K358-W373 VanDerWaalsContact CB-CE3 3.49Å; K358-W373 HydrophobicContact CB-CZ3 3.47Å; K358-W373 VanDerWaalsContact CB-CZ3 3.47Å; K358-W373 HydrophobicContact CD-CE3 4.27Å; L360-W373 HydrophobicContact CB-CH2 4.09Å; L360-W373 HydrophobicContact CB-CZ2 3.68Å; L360-W373 HydrophobicContact CD1-CG 4.43Å
374	I	74	Confident	73.6	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.1	-174.7	-151.6	-179	0	0	0	111.1	K358 E359 I361 N378	K358-I374 CarbonylContact C-O 3.52Å; K358-I374 WeakPolarHBondContact CA-O 3.11Å; K358-I374 WeakPolarHBondContact CB-O 3.4Å; E359-I374 HydrophobicContact CG-CG2 3.62Å; E359-I374 PolarHBondContact N-O 2.8Å; E359-I374 PolarHBondContact O-N 2.91Å; I361-I374 HydrophobicContact CG1-CG2 4.29Å; I374-N378 HydrophobicContact CD1-CB 3.52Å; I374-N378 HydrophobicContact CG1-CB 3.67Å
375	K	70.7	Confident	72.9	Confident	69 Å²	69	49 Å²	49	30%	0.3	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	138.3	171.7	-67.1	-175.2	179.7	-174.3	0	109.6	E357 K358 E377 N378	E357-K375 CarbonylContact O-C 3.58Å; E357-K375 VanDerWaalsContact O-CA 3.27Å; E357-K375 WeakPolarHBondContact O-CA 3.42Å; K358-K375 HydrophobicContact CG-CG 4.09Å; K375-E377 PolarHBondContact O-N 2.99Å; K375-E377 VanDerWaalsContact O-N 3.14Å; K375-N378 CarbonylContact O-C 3.39Å; K375-N378 WeakPolarHBondContact O-CA 3.39Å; K375-N378 VanDerWaalsContact O-CB 3.23Å; K375-N378 WeakPolarHBondContact O-CB 3.47Å; K375-N378 PolarHBondContact O-N 3.32Å
376	K	70.1	Confident	72.8	Confident	112 Å²	112	51.7 Å²	51.7	49%	0.487	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.4	176.1	-74.5	176.9	177.4	162.1	0	112.9	S356 E357 E359 N378	S356-K376 WeakPolarHBondContact O-CE 3.31Å; S356-K376 PolarHBondContact O-NZ 2.94Å; E357-K376 PolarHBondContact O-N 3.22Å; E359-K376 HydrophobicContact CB-CG 4.11Å; E359-K376 HydrophobicContact CG-CG 4.39Å; K376-N378 PolarHBondContact O-N 2.71Å
377	E	60.7	Low	73.1	Confident	155 Å²	155	51.2 Å²	51.2	72%	0.724	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.8	172.7	-61.6	-175.3	162.4	0	0	113	K375 S379	K375-E377 PolarHBondContact O-N 2.99Å; K375-E377 VanDerWaalsContact O-N 3.14Å; E377-S379 PolarHBondContact O-N 3.21Å
378	N	60.2	Low	73.3	Confident	21 Å²	21	49.7 Å²	49.7	11%	0.112	24%	0.244	C	C	.	.	S	Bend	trans	-87.5	85.2	171.4	-60.3	-30	0	0	0	108.2	R68 I374 K375 K376 Y380	R68-N378 PolarHBondContact NH1-OD1 3.45Å; R68-N378 VanDerWaalsContact NH1-OD1 3.08Å; R68-N378 PolarHBondContact NH2-OD1 2.67Å; I374-N378 HydrophobicContact CD1-CB 3.52Å; I374-N378 HydrophobicContact CG1-CB 3.67Å; K375-N378 CarbonylContact O-C 3.39Å; K375-N378 WeakPolarHBondContact O-CA 3.39Å; K375-N378 VanDerWaalsContact O-CB 3.23Å; K375-N378 WeakPolarHBondContact O-CB 3.47Å; K375-N378 PolarHBondContact O-N 3.32Å; K376-N378 PolarHBondContact O-N 2.71Å; N378-Y380 PolarHBondContact O-N 2.67Å
379	S	54.8	Low	73.5	Confident	80 Å²	80	50.8 Å²	50.8	56%	0.559	25%	0.253	S	S	*	.			trans	-53.3	106.3	174.6	52.8	0	0	0	0	111.4	E377	E377-S379 PolarHBondContact O-N 3.21Å
380	Y	63.6	Low	73.5	Confident	29 Å²	29	50.8 Å²	50.8	11%	0.114	25%	0.253	C	S	.	.			trans	-57.2	142.6	154	-161.3	-99.7	0	0	0	106.6	R54 Q55 I56 I361 I363 L372 N378 N382	R54-Y380 WeakPolarHBondContact O-CD2 3.48Å; Q55-Y380 HydrophobicContact CG-CE1 4.3Å; I56-Y380 PolarHBondContact N-OH 3.16Å; I56-Y380 VanDerWaalsContact N-OH 3.13Å; I56-Y380 PolarHBondContact O-OH 3.04Å; I361-Y380 HydrophobicContact CB-CD2 4.46Å; I361-Y380 HydrophobicContact CD1-CD1 4.13Å; I361-Y380 HydrophobicContact CD1-CG 3.94Å; I361-Y380 HydrophobicContact CG1-CD1 4.37Å; I361-Y380 HydrophobicContact CG1-CD2 4Å; I361-Y380 HydrophobicContact CG1-CG 3.89Å; I361-Y380 HydrophobicContact CG2-CD1 3.97Å; I361-Y380 HydrophobicContact CG2-CD2 4.04Å; I361-Y380 HydrophobicContact CG2-CE1 3.75Å; I361-Y380 HydrophobicContact CG2-CE2 3.83Å; I361-Y380 HydrophobicContact CG2-CG 4.12Å; I363-Y380 HydrophobicContact CD1-CE2 4.38Å; I363-Y380 WeakPolarHBondContact CD1-OH 3.26Å; L372-Y380 HydrophobicContact CD2-CE2 4.47Å; N378-Y380 PolarHBondContact O-N 2.67Å; Y380-N382 PolarHBondContact O-N 3.15Å
381	V	60.8	Low	73.5	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.036	27%	0.272	C	S	.	.			trans	-40.4	118.6	-174.7	172.4	0	0	0	0	109.9	R54 Q55 L66 H100 L383	R54-V381 HydrophobicContact CG-CG2 3.79Å; R54-V381 PolarHBondContact O-N 2.88Å; Q55-V381 HydrophobicContact CB-CG2 3.7Å; Q55-V381 HydrophobicContact CG-CB 4.46Å; Q55-V381 HydrophobicContact CG-CG2 4.02Å; L66-V381 HydrophobicContact CD2-CG2 4.44Å; H100-V381 WeakPolarHBondContact O-CG2 3.39Å; V381-L383 HydrophobicContact CG1-CD2 3.95Å; V381-L383 HydrophobicContact CG1-CG 4.13Å; V381-L383 PolarHBondContact O-N 2.61Å
382	N	54	Low	73.4	Confident	96 Å²	96	59.3 Å²	59.3	51%	0.513	30%	0.295	S	S	.	.			trans	-70.9	85	176.8	-168.1	-4.7	0	0	0	108	Y380 K384	Y380-N382 PolarHBondContact O-N 3.15Å; N382-K384 PolarHBondContact O-N 3.19Å; N382-K384 VanDerWaalsContact O-N 3.13Å; N382-K384 WeakPolarHBondContact OD1-CB 3.45Å; N382-K384 WeakPolarHBondContact OD1-CG 3.07Å; N382-K384 PolarHBondContact OD1-N 3.12Å
383	L	56	Low	73.6	Confident	91 Å²	91	61.3 Å²	61.3	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-5.4	175	-68.1	167.6	0	0	0	111.5	Q141 V381 R385	Q141-L383 PolarHBondContact NE2-O 3.01Å; V381-L383 HydrophobicContact CG1-CD2 3.95Å; V381-L383 HydrophobicContact CG1-CG 4.13Å; V381-L383 PolarHBondContact O-N 2.61Å; L383-R385 PolarHBondContact O-N 3.19Å
384	K	58.3	Low	74.1	Confident	175 Å²	175	61.4 Å²	61.4	76%	0.761	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	23.3	174.9	-46.2	-177	176.2	-173.8	0	113.5	N382 T386	N382-K384 PolarHBondContact O-N 3.19Å; N382-K384 VanDerWaalsContact O-N 3.13Å; N382-K384 WeakPolarHBondContact OD1-CB 3.45Å; N382-K384 WeakPolarHBondContact OD1-CG 3.07Å; N382-K384 PolarHBondContact OD1-N 3.12Å; K384-T386 PolarHBondContact O-N 3.08Å
385	R	75	Confident	74.9	Confident	76 Å²	76	61.3 Å²	61.3	29%	0.287	32%	0.317	S	S	.	.			trans	-66.1	107.9	166.5	-74.1	-175.2	169.8	-175.9	0.1	107.2	H100 I140 Q141 L383	H100-R385 PolarHBondContact CD2-NH1 3Å; H100-R385 PolarHBondContact CE1-NE 2.96Å; H100-R385 PolarHBondContact CE1-NH2 3.15Å; H100-R385 PolarHBondContact ND1-NH2 3.09Å; H100-R385 VanDerWaalsContact NE2-CZ 3.3Å; H100-R385 PolarHBondContact NE2-NE 3.15Å; H100-R385 VanDerWaalsContact NE2-NE 3.16Å; I140-R385 HydrophobicContact CB-CB 3.95Å; I140-R385 HydrophobicContact CG2-CB 4.46Å; Q141-R385 PolarHBondContact NE2-O 2.93Å; L383-R385 PolarHBondContact O-N 3.19Å
386	T	84.4	Confident	75.9	Confident	65 Å²	65	64.1 Å²	64.1	40%	0.399	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-101.2	168.9	173.9	60.3	0	0	0	0	110	K384	K384-T386 PolarHBondContact O-N 3.08Å
387	I	91.2	Very high	76.9	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.4	148.6	165.9	63.8	178.2	0	0	0	110.3	I140 P191 M207 A422	I140-I387 HydrophobicContact CD1-CG2 4.07Å; P191-I387 HydrophobicContact CB-CD1 3.94Å; M207-I387 HydrophobicContact SD-CD1 3.85Å; M207-I387 HydrophobicContact SD-CG1 3.73Å; I387-A422 HydrophobicContact CD1-CB 4.16Å; I387-A422 WeakPolarHBondContact CD1-O 2.99Å
388	P	91.9	Very high	78.4	Confident	25 Å²	25	56.1 Å²	56.1	16%	0.162	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.6	177	30.1	-33.8	0	0	0	109.9	K154 E416 I417 C423	K154-P388 HydrophobicContact CG-CG 4.28Å; K154-P388 WeakPolarHBondContact O-CD 3.34Å; P388-E416 HydrophobicContact CG-CB 4.3Å; P388-I417 HydrophobicContact CB-CD1 4.21Å; P388-I417 HydrophobicContact CB-CG1 3.83Å; P388-I417 HydrophobicContact CG-CG1 4.03Å; P388-C423 HydrophobicContact CG-CB 4.46Å; P388-C423 WeakPolarHBondContact O-CB 3.48Å
389	T	91.5	Very high	79.7	Confident	45 Å²	45	57 Å²	57	28%	0.276	29%	0.294	S	S	.	.			trans	-130	151.1	177.7	53.3	0	0	0	0	110.9	M207 G426 S427	M207-T389 HydrophobicContact CE-CG2 3.87Å; M207-T389 HydrophobicContact SD-CG2 4.11Å; T389-G426 WeakPolarHBondContact CG2-O 3.06Å; T389-S427 WeakPolarHBondContact CA-OG 3.45Å
390	L	90.8	Very high	81.3	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	30%	0.295	C	S	.	.			trans	-89.5	135.2	177.7	-171.7	62.4	0	0	0	110.2	T394 V395 W398 I417 F418 S427 F428 I450 L454	L390-T394 HydrophobicContact CD1-CG2 3.82Å; L390-V395 HydrophobicContact CD1-CG2 3.63Å; L390-V395 HydrophobicContact CD2-CG2 4.14Å; L390-V395 HydrophobicContact CG-CG2 3.87Å; L390-W398 HydrophobicContact CD1-CE3 4.01Å; L390-W398 HydrophobicContact CD1-CH2 3.62Å; L390-W398 HydrophobicContact CD1-CZ2 4.25Å; L390-W398 HydrophobicContact CD1-CZ3 3.46Å; L390-W398 VanDerWaalsContact CD1-CZ3 3.46Å; L390-I417 HydrophobicContact CB-CD1 4.48Å; L390-I417 HydrophobicContact CB-CG2 4.49Å; L390-F418 HydrophobicContact CD2-CZ 4.42Å; L390-S427 PolarHBondContact N-OG 2.9Å; L390-F428 HydrophobicContact CD2-CZ 4.14Å; L390-I450 HydrophobicContact CD2-CG2 3.51Å; L390-I450 HydrophobicContact CG-CG2 4.27Å; L390-L454 HydrophobicContact CD2-CD1 3.86Å
391	N	86.7	Confident	82.6	Confident	75 Å²	75	55.9 Å²	55.9	40%	0.401	29%	0.293	S	S	.	.			trans	-140.3	167.6	170.8	65.2	53.1	0	0	0	109.6	G393 T394 V395	N391-G393 PolarHBondContact O-N 3.37Å; N391-G393 WeakPolarHBondContact OD1-CA 3.5Å; N391-G393 PolarHBondContact OD1-N 3.47Å; N391-T394 WeakPolarHBondContact O-CA 3.48Å; N391-T394 WeakPolarHBondContact O-CB 3.28Å; N391-T394 PolarHBondContact O-N 3.08Å; N391-T394 PolarHBondContact OD1-N 3.29Å; N391-T394 PolarHBondContact OD1-OG1 2.77Å; N391-V395 WeakPolarHBondContact O-CG2 3.17Å; N391-V395 PolarHBondContact O-N 2.77Å
392	E	86.2	Confident	83.7	Confident	108 Å²	108	56.8 Å²	56.8	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-56.8	-36.9	-177.2	-67.7	175.4	-160.5	0	0	113.3	T394 V395 K396 I450	E392-T394 VanDerWaalsContact C-N 3.34Å; E392-T394 PolarHBondContact O-N 3.28Å; E392-V395 PolarHBondContact O-N 3.44Å; E392-K396 WeakPolarHBondContact O-CG 3.46Å; E392-K396 PolarHBondContact O-N 3.14Å; E392-I450 HydrophobicContact CG-CD1 4.29Å
393	G	87.6	Confident	85	Confident	43 Å²	43	60.5 Å²	60.5	44%	0.443	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-37.7	176.3	0	0	0	0	0	112.5	N391 R397	N391-G393 PolarHBondContact O-N 3.37Å; N391-G393 WeakPolarHBondContact OD1-CA 3.5Å; N391-G393 PolarHBondContact OD1-N 3.47Å; G393-R397 WeakPolarHBondContact O-CB 3.39Å; G393-R397 PolarHBondContact O-N 3.2Å; G393-R397 VanDerWaalsContact O-N 3.17Å
394	T	88.8	Confident	86.6	Confident	12 Å²	12	58.9 Å²	58.9	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-43.7	173.5	-61	0	0	0	0	111.6	L390 N391 E392 R397 W398	L390-T394 HydrophobicContact CD1-CG2 3.82Å; N391-T394 WeakPolarHBondContact O-CA 3.48Å; N391-T394 WeakPolarHBondContact O-CB 3.28Å; N391-T394 PolarHBondContact O-N 3.08Å; N391-T394 PolarHBondContact OD1-N 3.29Å; N391-T394 PolarHBondContact OD1-OG1 2.77Å; E392-T394 VanDerWaalsContact C-N 3.34Å; E392-T394 PolarHBondContact O-N 3.28Å; T394-R397 WeakPolarHBondContact O-CB 3.37Å; T394-R397 PolarHBondContact O-N 3.19Å; T394-R397 PolarHBondContact OG1-NH2 3.33Å; T394-W398 HydrophobicContact CG2-CD2 3.9Å; T394-W398 HydrophobicContact CG2-CG 4.31Å; T394-W398 HydrophobicContact CG2-CH2 4.27Å; T394-W398 HydrophobicContact CG2-CZ2 3.54Å; T394-W398 VanDerWaalsContact O-CG 3.23Å; T394-W398 PolarHBondContact O-N 3.26Å
395	V	90.3	Very high	87.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-52.4	177.6	174.2	0	0	0	0	111.1	L390 N391 E392 R397 W398 I399 I450 E453 L454	L390-V395 HydrophobicContact CD1-CG2 3.63Å; L390-V395 HydrophobicContact CD2-CG2 4.14Å; L390-V395 HydrophobicContact CG-CG2 3.87Å; N391-V395 WeakPolarHBondContact O-CG2 3.17Å; N391-V395 PolarHBondContact O-N 2.77Å; E392-V395 PolarHBondContact O-N 3.44Å; V395-R397 VanDerWaalsContact C-N 3.27Å; V395-R397 PolarHBondContact O-N 2.84Å; V395-W398 PolarHBondContact O-N 3.08Å; V395-W398 VanDerWaalsContact O-N 3.13Å; V395-I399 HydrophobicContact CG1-CD1 3.84Å; V395-I399 WeakPolarHBondContact O-CG1 3.45Å; V395-I399 PolarHBondContact O-N 3.37Å; V395-I450 HydrophobicContact CG2-CG1 4.44Å; V395-I450 HydrophobicContact CG2-CG2 3.71Å; V395-E453 HydrophobicContact CG1-CB 4.49Å; V395-E453 HydrophobicContact CG1-CG 4.15Å; V395-L454 HydrophobicContact CB-CD2 4.43Å; V395-L454 HydrophobicContact CG1-CD2 3.81Å; V395-L454 HydrophobicContact CG1-CG 4.08Å; V395-L454 HydrophobicContact CG2-CD2 4.33Å; V395-L454 HydrophobicContact CG2-CG 4.41Å
396	K	90.5	Very high	88.4	Confident	129 Å²	129	65.3 Å²	65.3	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-57.6	-40.5	178.3	-72	176.5	-178.8	175.1	0	112.2	E392 A400	E392-K396 WeakPolarHBondContact O-CG 3.46Å; E392-K396 PolarHBondContact O-N 3.14Å; K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.91Å; K396-A400 VanDerWaalsContact O-N 3.1Å
397	R	92.4	Very high	88.5	Confident	98 Å²	98	63.2 Å²	63.2	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-46.7	176.5	-162.9	-157.2	-35.7	126.8	11	111.5	G393 T394 V395 I399 A400 D401 E413	G393-R397 WeakPolarHBondContact O-CB 3.39Å; G393-R397 PolarHBondContact O-N 3.2Å; G393-R397 VanDerWaalsContact O-N 3.17Å; T394-R397 WeakPolarHBondContact O-CB 3.37Å; T394-R397 PolarHBondContact O-N 3.19Å; T394-R397 PolarHBondContact OG1-NH2 3.33Å; V395-R397 VanDerWaalsContact C-N 3.27Å; V395-R397 PolarHBondContact O-N 2.84Å; R397-I399 VanDerWaalsContact C-N 3.31Å; R397-I399 PolarHBondContact O-N 2.86Å; R397-A400 CarbonylContact O-C 3.52Å; R397-A400 PolarHBondContact O-N 3.27Å; R397-A400 VanDerWaalsContact O-N 3.16Å; R397-D401 WeakPolarHBondContact O-CB 3.31Å; R397-D401 PolarHBondContact O-N 3.1Å; R397-E413 IonicContact NH1-OE1 2.74Å; R397-E413 IonicContact NH1-OE2 3.6Å; R397-E413 PolarHBondContact NH1-OE2 3.3Å
398	W	91.4	Very high	88.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-40.2	-179.6	-70.5	-2.7	0	0	0	112.4	L390 T394 V395 A400 D401 V402 T410 E413 I414 I417 F418 L454	L390-W398 HydrophobicContact CD1-CE3 4.01Å; L390-W398 HydrophobicContact CD1-CH2 3.62Å; L390-W398 HydrophobicContact CD1-CZ2 4.25Å; L390-W398 HydrophobicContact CD1-CZ3 3.46Å; L390-W398 VanDerWaalsContact CD1-CZ3 3.46Å; T394-W398 HydrophobicContact CG2-CD2 3.9Å; T394-W398 HydrophobicContact CG2-CG 4.31Å; T394-W398 HydrophobicContact CG2-CH2 4.27Å; T394-W398 HydrophobicContact CG2-CZ2 3.54Å; T394-W398 VanDerWaalsContact O-CG 3.23Å; T394-W398 PolarHBondContact O-N 3.26Å; V395-W398 PolarHBondContact O-N 3.08Å; V395-W398 VanDerWaalsContact O-N 3.13Å; W398-A400 VanDerWaalsContact C-N 3.34Å; W398-D401 PolarHBondContact O-N 3.1Å; W398-V402 WeakPolarHBondContact O-CG2 3.23Å; W398-V402 PolarHBondContact O-N 3.46Å; W398-T410 HydrophobicContact CB-CG2 3.68Å; W398-T410 VanDerWaalsContact CD1-CG2 3.43Å; W398-T410 HydrophobicContact CD2-CG2 4.22Å; W398-T410 HydrophobicContact CG-CG2 3.5Å; W398-T410 VanDerWaalsContact CG-CG2 3.5Å; W398-E413 HydrophobicContact CZ2-CB 3.69Å; W398-E413 PolarHBondContact NE1-OE2 3.35Å; W398-I414 HydrophobicContact CD2-CD1 4.41Å; W398-I414 HydrophobicContact CD2-CG1 3.89Å; W398-I414 HydrophobicContact CE3-CD1 4.19Å; W398-I414 HydrophobicContact CE3-CG1 3.6Å; W398-I414 HydrophobicContact CH2-CB 4.45Å; W398-I414 HydrophobicContact CH2-CG1 3.79Å; W398-I414 HydrophobicContact CZ2-CG1 4.08Å; W398-I414 HydrophobicContact CZ3-CG1 3.56Å; W398-I417 HydrophobicContact CH2-CD1 3.76Å; W398-I417 HydrophobicContact CZ2-CD1 3.9Å; W398-F418 HydrophobicContact CZ3-CE2 4.08Å; W398-L454 HydrophobicContact CE3-CD2 3.97Å
399	I	88.4	Confident	88.1	Confident	41 Å²	41	70.9 Å²	70.9	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-40.9	175.5	-66	168.5	0	0	0	110.8	V395 R397 V402 E453 K457 I460	V395-I399 HydrophobicContact CG1-CD1 3.84Å; V395-I399 WeakPolarHBondContact O-CG1 3.45Å; V395-I399 PolarHBondContact O-N 3.37Å; R397-I399 VanDerWaalsContact C-N 3.31Å; R397-I399 PolarHBondContact O-N 2.86Å; I399-V402 WeakPolarHBondContact O-CG2 3.27Å; I399-E453 HydrophobicContact CD1-CG 3.84Å; I399-K457 HydrophobicContact CG2-CG 4.48Å; I399-I460 HydrophobicContact CG1-CD1 4.2Å
400	A	88.8	Confident	87.9	Confident	71 Å²	71	68.8 Å²	68.8	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-72.2	-27.5	177.2	0	0	0	0	0	113.7	K396 R397 W398 V402 T404	K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.91Å; K396-A400 VanDerWaalsContact O-N 3.1Å; R397-A400 CarbonylContact O-C 3.52Å; R397-A400 PolarHBondContact O-N 3.27Å; R397-A400 VanDerWaalsContact O-N 3.16Å; W398-A400 VanDerWaalsContact C-N 3.34Å; A400-V402 VanDerWaalsContact C-N 3.3Å; A400-V402 PolarHBondContact O-N 3.45Å; A400-T404 WeakPolarHBondContact O-CG2 3.42Å
401	D	89.5	Confident	87.9	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.07	35%	0.353	C	S	.	.	H	α-helix	trans	-78.2	-13	-178.8	-75.3	-28	0	0	0	113	R397 W398 E403 T404 R406 W407 T410	R397-D401 WeakPolarHBondContact O-CB 3.31Å; R397-D401 PolarHBondContact O-N 3.1Å; W398-D401 PolarHBondContact O-N 3.1Å; D401-E403 PolarHBondContact O-N 3.11Å; D401-T404 WeakPolarHBondContact CA-OG1 3.45Å; D401-T404 WeakPolarHBondContact O-CB 3.17Å; D401-T404 PolarHBondContact O-N 3.24Å; D401-T404 PolarHBondContact O-OG1 3.4Å; D401-R406 HydrophobicContact CB-CB 4.36Å; D401-W407 WeakPolarHBondContact O-CB 3.38Å; D401-T410 HydrophobicContact CB-CG2 4.49Å; D401-T410 WeakPolarHBondContact CB-OG1 3.48Å; D401-T410 PolarHBondContact OD2-OG1 2.98Å
402	V	84.2	Confident	88	Confident	26 Å²	26	74.7 Å²	74.7	16%	0.158	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.8	175.9	-179.8	0	0	0	0	109.4	W398 I399 A400 T404 W407 I460	W398-V402 WeakPolarHBondContact O-CG2 3.23Å; W398-V402 PolarHBondContact O-N 3.46Å; I399-V402 WeakPolarHBondContact O-CG2 3.27Å; A400-V402 VanDerWaalsContact C-N 3.3Å; A400-V402 PolarHBondContact O-N 3.45Å; V402-T404 PolarHBondContact O-N 2.92Å; V402-T404 VanDerWaalsContact O-N 3.09Å; V402-W407 HydrophobicContact CG2-CE3 4.22Å; V402-W407 HydrophobicContact CG2-CH2 4.27Å; V402-W407 HydrophobicContact CG2-CZ3 3.88Å; V402-I460 HydrophobicContact CG2-CD1 4.2Å; V402-I460 HydrophobicContact CG2-CG1 4.46Å
403	E	81.6	Confident	88.2	Confident	173 Å²	173	72.1 Å²	72.1	81%	0.808	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	5.7	-176.7	-64.6	165.3	-170.3	0	0	115.8	D401	D401-E403 PolarHBondContact O-N 3.11Å
404	T	88.8	Confident	88.4	Confident	58 Å²	58	70 Å²	70	36%	0.356	33%	0.328	S	S	.	.	S	Bend	trans	-94.3	166.6	173	79.5	0	0	0	0	112.3	A400 D401 V402 R406 W407	A400-T404 WeakPolarHBondContact O-CG2 3.42Å; D401-T404 WeakPolarHBondContact CA-OG1 3.45Å; D401-T404 WeakPolarHBondContact O-CB 3.17Å; D401-T404 PolarHBondContact O-N 3.24Å; D401-T404 PolarHBondContact O-OG1 3.4Å; V402-T404 PolarHBondContact O-N 2.92Å; V402-T404 VanDerWaalsContact O-N 3.09Å; T404-R406 PolarHBondContact O-N 3.31Å; T404-R406 VanDerWaalsContact O-N 3.1Å; T404-R406 PolarHBondContact OG1-N 3.44Å; T404-R406 VanDerWaalsContact OG1-N 3.14Å; T404-W407 VanDerWaalsContact O-CB 3.23Å; T404-W407 WeakPolarHBondContact O-CB 3.39Å; T404-W407 PolarHBondContact O-N 2.79Å; T404-W407 VanDerWaalsContact O-N 3.13Å
405	K	84.8	Confident	88.6	Confident	209 Å²	209	73.7 Å²	73.7	91%	0.909	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.8	171.4	-66.2	-177.3	-179.8	178.5	0	113.5
406	R	86.4	Confident	88.6	Confident	176 Å²	176	76.5 Å²	76.5	66%	0.664	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.3	-179.6	-65.7	-178.8	178.4	172.7	0.3	113.1	D401 T404 H408 S409 T410	D401-R406 HydrophobicContact CB-CB 4.36Å; T404-R406 PolarHBondContact O-N 3.31Å; T404-R406 VanDerWaalsContact O-N 3.1Å; T404-R406 PolarHBondContact OG1-N 3.44Å; T404-R406 VanDerWaalsContact OG1-N 3.14Å; R406-H408 PolarHBondContact O-N 3.34Å; R406-H408 VanDerWaalsContact O-N 3.11Å; R406-S409 WeakPolarHBondContact O-CA 3.4Å; R406-S409 VanDerWaalsContact O-CB 3.3Å; R406-S409 WeakPolarHBondContact O-CB 3.44Å; R406-S409 PolarHBondContact O-N 3.28Å; R406-T410 PolarHBondContact O-N 3.11Å; R406-T410 PolarHBondContact O-OG1 2.83Å
407	W	86.7	Confident	88.8	Confident	22 Å²	22	70.6 Å²	70.6	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-53.8	-35.1	-177.9	-176	-137	0	0	0	114.4	D401 V402 T404 S409 T410 K411 I414 W459 I460	D401-W407 WeakPolarHBondContact O-CB 3.38Å; V402-W407 HydrophobicContact CG2-CE3 4.22Å; V402-W407 HydrophobicContact CG2-CH2 4.27Å; V402-W407 HydrophobicContact CG2-CZ3 3.88Å; T404-W407 VanDerWaalsContact O-CB 3.23Å; T404-W407 WeakPolarHBondContact O-CB 3.39Å; T404-W407 PolarHBondContact O-N 2.79Å; T404-W407 VanDerWaalsContact O-N 3.13Å; W407-S409 VanDerWaalsContact C-N 3.27Å; W407-S409 PolarHBondContact O-N 2.87Å; W407-T410 HydrophobicContact CE3-CG2 3.65Å; W407-T410 HydrophobicContact CZ3-CG2 3.49Å; W407-T410 VanDerWaalsContact CZ3-CG2 3.49Å; W407-T410 WeakPolarHBondContact O-CB 3.34Å; W407-T410 PolarHBondContact O-N 3.06Å; W407-K411 HydrophobicContact CD2-CG 4.13Å; W407-K411 HydrophobicContact CH2-CG 4.44Å; W407-K411 HydrophobicContact CZ2-CD 4.47Å; W407-K411 HydrophobicContact CZ2-CG 3.94Å; W407-K411 WeakPolarHBondContact O-CB 3.34Å; W407-K411 WeakPolarHBondContact O-CG 3.22Å; W407-K411 PolarHBondContact O-N 2.98Å; W407-I414 HydrophobicContact CH2-CD1 4.1Å; W407-I414 HydrophobicContact CZ3-CD1 4.18Å; W407-W459 HydrophobicContact CZ2-CB 4.19Å; W407-I460 HydrophobicContact CH2-CG1 3.84Å; W407-I460 HydrophobicContact CZ3-CG1 4.31Å
408	H	87.1	Confident	88.9	Confident	130 Å²	130	66 Å²	66	60%	0.602	31%	0.314	S	S	*	.	H	α-helix	trans	-66.7	-26.1	176	-70.1	-72.1	0	0	0	113.9	R406 R412	R406-H408 PolarHBondContact O-N 3.34Å; R406-H408 VanDerWaalsContact O-N 3.11Å; H408-R412 PolarHBondContact O-NE 3.41Å; H408-R412 VanDerWaalsContact O-NE 3.08Å
409	S	86.7	Confident	89.1	Confident	57 Å²	57	66.6 Å²	66.6	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-75.5	-47.3	170.7	-165.7	0	0	0	0	109.8	R406 W407 K411 R412 E413	R406-S409 WeakPolarHBondContact O-CA 3.4Å; R406-S409 VanDerWaalsContact O-CB 3.3Å; R406-S409 WeakPolarHBondContact O-CB 3.44Å; R406-S409 PolarHBondContact O-N 3.28Å; W407-S409 VanDerWaalsContact C-N 3.27Å; W407-S409 PolarHBondContact O-N 2.87Å; S409-K411 VanDerWaalsContact C-N 3.35Å; S409-K411 PolarHBondContact O-N 3.16Å; S409-R412 WeakPolarHBondContact O-CB 3.29Å; S409-R412 PolarHBondContact O-N 3.16Å; S409-E413 PolarHBondContact O-N 2.92Å
410	T	89.1	Confident	89.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.6	-45.3	177.5	-50.3	0	0	0	0	112.6	W398 D401 R406 W407 R412 E413 I414	W398-T410 HydrophobicContact CB-CG2 3.68Å; W398-T410 VanDerWaalsContact CD1-CG2 3.43Å; W398-T410 HydrophobicContact CD2-CG2 4.22Å; W398-T410 HydrophobicContact CG-CG2 3.5Å; W398-T410 VanDerWaalsContact CG-CG2 3.5Å; D401-T410 HydrophobicContact CB-CG2 4.49Å; D401-T410 WeakPolarHBondContact CB-OG1 3.48Å; D401-T410 PolarHBondContact OD2-OG1 2.98Å; R406-T410 PolarHBondContact O-N 3.11Å; R406-T410 PolarHBondContact O-OG1 2.83Å; W407-T410 HydrophobicContact CE3-CG2 3.65Å; W407-T410 HydrophobicContact CZ3-CG2 3.49Å; W407-T410 VanDerWaalsContact CZ3-CG2 3.49Å; W407-T410 WeakPolarHBondContact O-CB 3.34Å; W407-T410 PolarHBondContact O-N 3.06Å; T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3Å; T410-E413 PolarHBondContact O-N 3.37Å; T410-E413 VanDerWaalsContact O-N 3.12Å; T410-I414 HydrophobicContact CG2-CD1 3.97Å; T410-I414 HydrophobicContact CG2-CG1 4.48Å; T410-I414 WeakPolarHBondContact O-CG1 3.31Å; T410-I414 PolarHBondContact O-N 3.25Å
411	K	89.4	Confident	89.7	Confident	48 Å²	48	61.9 Å²	61.9	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-54.6	-43.1	174.3	-80.5	179.6	160.3	165.9	0	112.4	W407 S409 Q415 M463	W407-K411 HydrophobicContact CD2-CG 4.13Å; W407-K411 HydrophobicContact CH2-CG 4.44Å; W407-K411 HydrophobicContact CZ2-CD 4.47Å; W407-K411 HydrophobicContact CZ2-CG 3.94Å; W407-K411 WeakPolarHBondContact O-CB 3.34Å; W407-K411 WeakPolarHBondContact O-CG 3.22Å; W407-K411 PolarHBondContact O-N 2.98Å; S409-K411 VanDerWaalsContact C-N 3.35Å; S409-K411 PolarHBondContact O-N 3.16Å; K411-Q415 WeakPolarHBondContact O-CB 3.49Å; K411-Q415 VanDerWaalsContact O-CG 3.24Å; K411-Q415 WeakPolarHBondContact O-CG 3.3Å; K411-Q415 PolarHBondContact O-N 3.39Å; K411-M463 HydrophobicContact CD-CE 4.07Å; K411-M463 HydrophobicContact CG-CE 3.95Å
412	R	88.8	Confident	89.9	Confident	154 Å²	154	61.4 Å²	61.4	58%	0.581	28%	0.283	S	S	*	.	H	α-helix	trans	-68.1	-39.4	178.1	-75.2	-178.9	-85.5	-176.5	-5	111.7	H408 S409 T410 Q415 E416	H408-R412 PolarHBondContact O-NE 3.41Å; H408-R412 VanDerWaalsContact O-NE 3.08Å; S409-R412 WeakPolarHBondContact O-CB 3.29Å; S409-R412 PolarHBondContact O-N 3.16Å; T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3Å; R412-Q415 PolarHBondContact O-N 3.07Å; R412-E416 WeakPolarHBondContact O-CB 3.39Å; R412-E416 VanDerWaalsContact O-CG 3.25Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.05Å
413	E	90.8	Very high	90.5	Very high	54 Å²	54	60.1 Å²	60.1	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-43.4	175.7	-66.4	175.7	-154.8	0	0	112	R397 W398 S409 T410 E416 I417	R397-E413 IonicContact NH1-OE1 2.74Å; R397-E413 IonicContact NH1-OE2 3.6Å; R397-E413 PolarHBondContact NH1-OE2 3.3Å; W398-E413 HydrophobicContact CZ2-CB 3.69Å; W398-E413 PolarHBondContact NE1-OE2 3.35Å; S409-E413 PolarHBondContact O-N 2.92Å; T410-E413 PolarHBondContact O-N 3.37Å; T410-E413 VanDerWaalsContact O-N 3.12Å; E413-E416 PolarHBondContact O-N 3.34Å; E413-I417 PolarHBondContact O-N 2.82Å
414	I	92.5	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-49.1	174.4	-67.2	166.9	0	0	0	109.8	W398 W407 T410 E416 I417 F418 I460 M463 V464	W398-I414 HydrophobicContact CD2-CD1 4.41Å; W398-I414 HydrophobicContact CD2-CG1 3.89Å; W398-I414 HydrophobicContact CE3-CD1 4.19Å; W398-I414 HydrophobicContact CE3-CG1 3.6Å; W398-I414 HydrophobicContact CH2-CB 4.45Å; W398-I414 HydrophobicContact CH2-CG1 3.79Å; W398-I414 HydrophobicContact CZ2-CG1 4.08Å; W398-I414 HydrophobicContact CZ3-CG1 3.56Å; W407-I414 HydrophobicContact CH2-CD1 4.1Å; W407-I414 HydrophobicContact CZ3-CD1 4.18Å; T410-I414 HydrophobicContact CG2-CD1 3.97Å; T410-I414 HydrophobicContact CG2-CG1 4.48Å; T410-I414 WeakPolarHBondContact O-CG1 3.31Å; T410-I414 PolarHBondContact O-N 3.25Å; I414-E416 VanDerWaalsContact C-N 3.34Å; I414-E416 PolarHBondContact O-N 3.21Å; I414-I417 PolarHBondContact O-N 3.24Å; I414-F418 HydrophobicContact CG2-CD2 3.93Å; I414-F418 WeakPolarHBondContact O-CB 3.42Å; I414-F418 PolarHBondContact O-N 3.23Å; I414-I460 HydrophobicContact CD1-CG1 4.47Å; I414-M463 HydrophobicContact CB-CG 4.36Å; I414-M463 HydrophobicContact CG2-CB 4.31Å; I414-M463 HydrophobicContact CG2-CG 3.68Å; I414-V464 HydrophobicContact CG2-CG2 4.31Å
415	Q	92.6	Very high	91.3	Very high	88 Å²	88	49.2 Å²	49.2	41%	0.411	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-43.7	177.9	-76.7	172.7	-16.6	0	0	112.3	K411 R412 S419 M463	K411-Q415 WeakPolarHBondContact O-CB 3.49Å; K411-Q415 VanDerWaalsContact O-CG 3.24Å; K411-Q415 WeakPolarHBondContact O-CG 3.3Å; K411-Q415 PolarHBondContact O-N 3.39Å; R412-Q415 PolarHBondContact O-N 3.07Å; Q415-S419 WeakPolarHBondContact O-CB 3.45Å; Q415-S419 PolarHBondContact O-N 3.48Å; Q415-S419 PolarHBondContact O-OG 3.04Å; Q415-M463 HydrophobicContact CG-SD 4.14Å
416	E	90.6	Very high	91.7	Very high	60 Å²	60	39.7 Å²	39.7	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-44.7	178.6	-75	172.4	155.2	0	0	112.3	K154 P388 R412 E413 I414	K154-E416 VanDerWaalsContact CE-OE2 3.3Å; K154-E416 WeakPolarHBondContact CE-OE2 3.48Å; K154-E416 IonicContact NZ-OE1 2.76Å; K154-E416 PolarHBondContact NZ-OE1 2.7Å; K154-E416 IonicContact NZ-OE2 3.93Å; K154-E416 PolarHBondContact NZ-OE2 3.49Å; P388-E416 HydrophobicContact CG-CB 4.3Å; R412-E416 WeakPolarHBondContact O-CB 3.39Å; R412-E416 VanDerWaalsContact O-CG 3.25Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.05Å; E413-E416 PolarHBondContact O-N 3.34Å; I414-E416 VanDerWaalsContact C-N 3.34Å; I414-E416 PolarHBondContact O-N 3.21Å
417	I	94	Very high	92.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-74.9	-49.4	-176.3	-68.7	170.7	0	0	0	111.5	P388 L390 W398 E413 I414 S419 S420 C423	P388-I417 HydrophobicContact CB-CD1 4.21Å; P388-I417 HydrophobicContact CB-CG1 3.83Å; P388-I417 HydrophobicContact CG-CG1 4.03Å; L390-I417 HydrophobicContact CB-CD1 4.48Å; L390-I417 HydrophobicContact CB-CG2 4.49Å; W398-I417 HydrophobicContact CH2-CD1 3.76Å; W398-I417 HydrophobicContact CZ2-CD1 3.9Å; E413-I417 PolarHBondContact O-N 2.82Å; I414-I417 PolarHBondContact O-N 3.24Å; I417-S419 VanDerWaalsContact C-N 3.27Å; I417-S419 PolarHBondContact O-N 3.23Å; I417-S420 PolarHBondContact O-N 3.43Å; I417-C423 HydrophobicContact CG2-CB 4.47Å
418	F	94.9	Very high	92.4	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-79.9	-4.4	-174.6	-77	-89.9	0	0	0	114.2	L390 W398 I414 L424 F451 L454 V464 C467 L468 L472	L390-F418 HydrophobicContact CD2-CZ 4.42Å; W398-F418 HydrophobicContact CZ3-CE2 4.08Å; I414-F418 HydrophobicContact CG2-CD2 3.93Å; I414-F418 WeakPolarHBondContact O-CB 3.42Å; I414-F418 PolarHBondContact O-N 3.23Å; F418-L424 HydrophobicContact CD1-CD1 4.14Å; F418-L424 HydrophobicContact CE1-CD1 4.04Å; F418-F451 HydrophobicContact CE1-CD1 4.16Å; F418-F451 AromaticContact CE1-CE1 3.72Å; F418-F451 HydrophobicContact CE1-CE1 3.72Å; F418-F451 HydrophobicContact CZ-CD1 4.26Å; F418-F451 AromaticContact CZ-CE1 3.99Å; F418-F451 HydrophobicContact CZ-CE1 3.99Å; F418-L454 HydrophobicContact CE2-CD1 4.22Å; F418-L454 HydrophobicContact CZ-CD1 3.85Å; F418-V464 HydrophobicContact CD1-CB 4.45Å; F418-V464 HydrophobicContact CD1-CG1 3.7Å; F418-V464 HydrophobicContact CD1-CG2 4.12Å; F418-V464 HydrophobicContact CD2-CG2 4.12Å; F418-V464 HydrophobicContact CE1-CG1 3.76Å; F418-V464 HydrophobicContact CE1-CG2 4Å; F418-V464 HydrophobicContact CE2-CG2 4.01Å; F418-V464 HydrophobicContact CG-CG1 4.38Å; F418-V464 HydrophobicContact CG-CG2 4.17Å; F418-V464 HydrophobicContact CZ-CG2 3.94Å; F418-C467 HydrophobicContact CB-CB 3.68Å; F418-L468 HydrophobicContact CD1-CD2 4.36Å; F418-L472 WeakPolarHBondContact O-CB 3.1Å
419	S	94.4	Very high	92.4	Very high	14 Å²	14	26.3 Å²	26.3	10%	0.098	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.3	174.7	-58.4	0	0	0	0	113.8	Q415 I417 N471	Q415-S419 WeakPolarHBondContact O-CB 3.45Å; Q415-S419 PolarHBondContact O-N 3.48Å; Q415-S419 PolarHBondContact O-OG 3.04Å; I417-S419 VanDerWaalsContact C-N 3.27Å; I417-S419 PolarHBondContact O-N 3.23Å; S419-N471 VanDerWaalsContact CB-CB 3.48Å; S419-N471 WeakPolarHBondContact OG-CB 2.89Å; S419-N471 PolarHBondContact OG-ND2 3.39Å
420	S	95	Very high	92.2	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	13%	0.132	C	C	.	.			trans	-127.4	124.2	-176.7	164.4	0	0	0	0	111.3	G155 I417 A422 C423 L424	G155-S420 WeakPolarHBondContact O-CB 3.47Å; G155-S420 PolarHBondContact O-OG 2.92Å; I417-S420 PolarHBondContact O-N 3.43Å; S420-A422 VanDerWaalsContact C-N 3.31Å; S420-A422 PolarHBondContact O-N 2.61Å; S420-A422 PolarHBondContact OG-N 3.35Å; S420-C423 WeakPolarHBondContact CB-SG 2.82Å; S420-C423 PolarHBondContact O-N 3.38Å; S420-C423 PolarHBondContact OG-N 3.4Å; S420-C423 VanDerWaalsContact OG-N 3.11Å; S420-C423 PolarHBondContact OG-SG 3.5Å; S420-L424 PolarHBondContact O-N 3.3Å; S420-L424 VanDerWaalsContact O-N 3.09Å
421	P	95.3	Very high	91.2	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-43.5	174.1	-22.3	32.8	0	0	0	111.8	C423 L424 T425 L472 R475 V488	P421-C423 PolarHBondContact O-N 2.86Å; P421-L424 PolarHBondContact O-N 2.8Å; P421-T425 WeakPolarHBondContact O-CB 3.33Å; P421-T425 PolarHBondContact O-N 2.79Å; P421-T425 PolarHBondContact O-OG1 3.13Å; P421-L472 HydrophobicContact CB-CD1 4.39Å; P421-L472 HydrophobicContact CG-CD1 3.87Å; P421-L472 VanDerWaalsContact N-CD1 3.29Å; P421-R475 WeakPolarHBondContact CG-O 3.46Å; P421-V488 HydrophobicContact CB-CB 4.16Å; P421-V488 HydrophobicContact CB-CG1 4.18Å; P421-V488 HydrophobicContact CB-CG2 4.03Å
422	A	94.8	Very high	89.8	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-42.4	178.8	0	0	0	0	0	112.6	G189 V190 P191 I387 S420 G426	G189-A422 WeakPolarHBondContact O-CA 3.34Å; V190-A422 WeakPolarHBondContact O-CB 3.45Å; P191-A422 WeakPolarHBondContact CB-O 3.02Å; I387-A422 HydrophobicContact CD1-CB 4.16Å; I387-A422 WeakPolarHBondContact CD1-O 2.99Å; S420-A422 VanDerWaalsContact C-N 3.31Å; S420-A422 PolarHBondContact O-N 2.61Å; S420-A422 PolarHBondContact OG-N 3.35Å; A422-G426 PolarHBondContact O-N 2.89Å
423	C	95.4	Very high	88.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-41.2	178.9	-60.5	0	0	0	0	111.6	P388 I417 S420 P421 S427	P388-C423 HydrophobicContact CG-CB 4.46Å; P388-C423 WeakPolarHBondContact O-CB 3.48Å; I417-C423 HydrophobicContact CG2-CB 4.47Å; S420-C423 WeakPolarHBondContact CB-SG 2.82Å; S420-C423 PolarHBondContact O-N 3.38Å; S420-C423 PolarHBondContact OG-N 3.4Å; S420-C423 VanDerWaalsContact OG-N 3.11Å; S420-C423 PolarHBondContact OG-SG 3.5Å; P421-C423 PolarHBondContact O-N 2.86Å; C423-S427 PolarHBondContact O-N 2.78Å; C423-S427 PolarHBondContact O-OG 3.31Å
424	L	94.8	Very high	86	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-49.1	179.4	-165.1	65.5	0	0	0	111.2	F418 S420 P421 G426 S427 F428 F451 L472 V488 L491	F418-L424 HydrophobicContact CD1-CD1 4.14Å; F418-L424 HydrophobicContact CE1-CD1 4.04Å; S420-L424 PolarHBondContact O-N 3.3Å; S420-L424 VanDerWaalsContact O-N 3.09Å; P421-L424 PolarHBondContact O-N 2.8Å; L424-G426 PolarHBondContact O-N 2.95Å; L424-S427 VanDerWaalsContact O-CB 3.28Å; L424-S427 WeakPolarHBondContact O-CB 3.27Å; L424-S427 PolarHBondContact O-N 2.94Å; L424-F428 HydrophobicContact CD1-CE2 4.05Å; L424-F428 VanDerWaalsContact O-CD2 3.29Å; L424-F428 WeakPolarHBondContact O-CD2 3.24Å; L424-F451 HydrophobicContact CD1-CE1 4.02Å; L424-F451 HydrophobicContact CD1-CZ 3.97Å; L424-F451 HydrophobicContact CG-CZ 4.5Å; L424-L472 HydrophobicContact CD2-CD2 4.12Å; L424-V488 HydrophobicContact CD2-CG2 4.35Å; L424-L491 HydrophobicContact CG-CD1 4.18Å
425	T	94.1	Very high	83.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-50.1	174.7	-60.1	0	0	0	0	111	P191 P421 S427 F428 L429 L442 E487	P191-T425 HydrophobicContact CG-CG2 4.14Å; P421-T425 WeakPolarHBondContact O-CB 3.33Å; P421-T425 PolarHBondContact O-N 2.79Å; P421-T425 PolarHBondContact O-OG1 3.13Å; T425-S427 PolarHBondContact O-N 3.37Å; T425-F428 PolarHBondContact O-N 3.02Å; T425-L429 HydrophobicContact CG2-CD2 4.3Å; T425-L429 PolarHBondContact O-N 3.33Å; T425-L442 HydrophobicContact CG2-CD2 4.14Å; T425-E487 HydrophobicContact CG2-CB 3.82Å; T425-E487 WeakPolarHBondContact CG2-OE2 3.47Å
426	G	92.8	Very high	81.6	Confident	8 Å²	8	53 Å²	53	8%	0.082	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-20.5	179.2	0	0	0	0	0	114.6	T389 A422 L424	T389-G426 WeakPolarHBondContact CG2-O 3.06Å; A422-G426 PolarHBondContact O-N 2.89Å; L424-G426 PolarHBondContact O-N 2.95Å
427	S	93.8	Very high	79.5	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-74.1	-25.6	177.9	-59.9	0	0	0	0	114	T389 L390 C423 L424 T425	T389-S427 WeakPolarHBondContact CA-OG 3.45Å; L390-S427 PolarHBondContact N-OG 2.9Å; C423-S427 PolarHBondContact O-N 2.78Å; C423-S427 PolarHBondContact O-OG 3.31Å; L424-S427 VanDerWaalsContact O-CB 3.28Å; L424-S427 WeakPolarHBondContact O-CB 3.27Å; L424-S427 PolarHBondContact O-N 2.94Å; T425-S427 PolarHBondContact O-N 3.37Å
428	F	93.1	Very high	77.7	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	31%	0.306	C	S	.	.	S	Bend	trans	-122.1	13.3	-170.2	-56.2	-70.1	0	0	0	113.8	L390 L424 T425 R430 L442 D443 A447 I450 F451 L491	L390-F428 HydrophobicContact CD2-CZ 4.14Å; L424-F428 HydrophobicContact CD1-CE2 4.05Å; L424-F428 VanDerWaalsContact O-CD2 3.29Å; L424-F428 WeakPolarHBondContact O-CD2 3.24Å; T425-F428 PolarHBondContact O-N 3.02Å; F428-R430 PolarHBondContact O-N 3.46Å; F428-L442 HydrophobicContact CB-CD2 4.15Å; F428-L442 CarbonylContact O-C 3.57Å; F428-L442 WeakPolarHBondContact O-CA 3.36Å; F428-D443 PolarHBondContact O-N 2.97Å; F428-A447 HydrophobicContact CB-CB 4.35Å; F428-A447 HydrophobicContact CD1-CB 3.71Å; F428-A447 HydrophobicContact CD2-CB 4.05Å; F428-A447 VanDerWaalsContact CE1-CA 3.48Å; F428-A447 HydrophobicContact CE1-CB 3.93Å; F428-A447 HydrophobicContact CE2-CB 4.24Å; F428-A447 HydrophobicContact CG-CB 3.77Å; F428-A447 HydrophobicContact CZ-CB 4.17Å; F428-I450 HydrophobicContact CE1-CB 4.13Å; F428-I450 HydrophobicContact CE1-CD1 3.91Å; F428-I450 HydrophobicContact CE1-CG2 4.15Å; F428-I450 HydrophobicContact CZ-CB 4.49Å; F428-I450 HydrophobicContact CZ-CG2 4.11Å; F428-F451 AromaticContact CE2-CE1 3.84Å; F428-F451 HydrophobicContact CE2-CE1 3.84Å; F428-F451 HydrophobicContact CE2-CE2 4.42Å; F428-F451 AromaticContact CE2-CZ 3.57Å; F428-F451 HydrophobicContact CE2-CZ 3.57Å; F428-F451 HydrophobicContact CZ-CD1 4.48Å; F428-F451 AromaticContact CZ-CE1 3.82Å; F428-F451 HydrophobicContact CZ-CE1 3.82Å; F428-F451 AromaticContact CZ-CZ 3.92Å; F428-F451 HydrophobicContact CZ-CZ 3.92Å; F428-L491 HydrophobicContact CB-CD2 4.13Å; F428-L491 HydrophobicContact CD2-CD1 3.96Å; F428-L491 HydrophobicContact CD2-CD2 3.8Å; F428-L491 HydrophobicContact CG-CD2 4.18Å
429	L	88.5	Confident	75.9	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-60.2	133.4	173.7	-67.1	174.1	0	0	0	111.7	P191 M207 T425 L442	P191-L429 HydrophobicContact CB-CD1 4.49Å; P191-L429 HydrophobicContact CG-CD1 4.01Å; M207-L429 HydrophobicContact CB-CD1 3.53Å; T425-L429 HydrophobicContact CG2-CD2 4.3Å; T425-L429 PolarHBondContact O-N 3.33Å; L429-L442 HydrophobicContact CD2-CD2 4.2Å
430	R	81.8	Confident	74.5	Confident	122 Å²	122	65.5 Å²	65.5	46%	0.46	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.6	171.9	-70.9	-179.2	-178.5	-167.1	0.3	110.5	F428 R432 Y441 L442 D443	F428-R430 PolarHBondContact O-N 3.46Å; R430-R432 PolarHBondContact O-N 2.95Å; R430-Y441 WeakPolarHBondContact CB-O 3.44Å; R430-Y441 PolarHBondContact N-O 3.24Å; R430-L442 PolarHBondContact NE-O 3.26Å; R430-L442 PolarHBondContact NH2-O 3.19Å; R430-D443 HydrophobicContact CG-CB 3.94Å
431	K	67	Low	73.6	Confident	189 Å²	189	68.1 Å²	68.1	82%	0.822	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-78.3	117.5	165.6	-66.7	-176.8	178.7	-179.2	0	108.1	R433	K431-R433 PolarHBondContact O-N 3.35Å
432	R	60.1	Low	73.2	Confident	68 Å²	68	67.8 Å²	67.8	26%	0.257	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-52.5	122	172.7	-75.8	-170.2	-175.7	172.9	10.4	109.5	N210 D240 R430	N210-R432 PolarHBondContact OD1-NH2 2.65Å; D240-R432 PolarHBondContact O-NH1 3.29Å; R430-R432 PolarHBondContact O-N 2.95Å
433	R	54.7	Low	72.9	Confident	218 Å²	218	70.1 Å²	70.1	82%	0.823	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-94.8	141.7	159.6	-69	-175.8	177.7	-174.7	-0.5	106.6	K431 A435	K431-R433 PolarHBondContact O-N 3.35Å; R433-A435 PolarHBondContact O-N 3.05Å
434	T	45.3	Very low	72.6	Confident	133 Å²	133	71 Å²	71	82%	0.816	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	136.4	179.8	35.1	0	0	0	0	110.6
435	A	46.1	Very low	72.3	Confident	95 Å²	95	75.1 Å²	75.1	79%	0.785	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	3.3	169.2	0	0	0	0	0	120.9	R433	R433-A435 PolarHBondContact O-N 3.05Å
436	E	46.4	Very low	72.2	Confident	136 Å²	136	78.5 Å²	78.5	64%	0.636	39%	0.388	S	S	*	.			trans	-110.7	113	175.5	-76.9	177.9	168.7	0	0	112.6	M438	E436-M438 HydrophobicContact CB-CE 3.66Å; E436-M438 HydrophobicContact CB-CG 4.24Å; E436-M438 HydrophobicContact CG-CE 3.96Å; E436-M438 PolarHBondContact O-N 3.21Å; E436-M438 VanDerWaalsContact OE2-CE 3.24Å; E436-M438 WeakPolarHBondContact OE2-CE 3.33Å
437	M	48.2	Very low	72.2	Confident	192 Å²	192	78.1 Å²	78.1	95%	0.946	38%	0.384	S	S	*	.			trans	-72.5	103.9	166.1	-173.3	176.7	174.9	0	0	107.9
438	M	55	Low	72.1	Confident	64 Å²	64	80.6 Å²	80.6	32%	0.315	39%	0.392	S	S	.	.			trans	-103.7	131.1	-178.5	-74.1	-74.6	151.1	0	0	110	E436 V440	E436-M438 HydrophobicContact CB-CE 3.66Å; E436-M438 HydrophobicContact CB-CG 4.24Å; E436-M438 HydrophobicContact CG-CE 3.96Å; E436-M438 PolarHBondContact O-N 3.21Å; E436-M438 VanDerWaalsContact OE2-CE 3.24Å; E436-M438 WeakPolarHBondContact OE2-CE 3.33Å; M438-V440 PolarHBondContact O-N 3.21Å
439	P	56.7	Low	72.1	Confident	72 Å²	72	85.5 Å²	85.5	47%	0.468	42%	0.418	S	S	.	.	S	Bend	trans	-68.9	-17.9	179.5	26.3	-33.1	0	0	0	113.3	Q483	P439-Q483 PolarHBondContact O-NE2 3.5Å
440	V	65.7	Low	72.3	Confident	15 Å²	15	83.9 Å²	83.9	9%	0.091	41%	0.41	C	S	.	.			trans	-136.8	126.4	178.5	177.8	0	0	0	0	110.4	M438 L442 L444 F490 Y529	M438-V440 PolarHBondContact O-N 3.21Å; V440-L442 VanDerWaalsContact C-N 3.28Å; V440-L442 HydrophobicContact CG1-CB 3.85Å; V440-L442 HydrophobicContact CG1-CD1 4.49Å; V440-L442 HydrophobicContact CG1-CG 4.28Å; V440-L442 PolarHBondContact O-N 3.35Å; V440-L444 HydrophobicContact CG1-CD1 4.48Å; V440-F490 HydrophobicContact CG1-CD2 3.84Å; V440-F490 HydrophobicContact CG1-CE2 4.23Å; V440-F490 HydrophobicContact CG2-CD2 4.09Å; V440-F490 HydrophobicContact CG2-CE2 3.81Å; V440-F490 HydrophobicContact CG2-CZ 4.39Å; V440-Y529 HydrophobicContact CG2-CD2 3.55Å; V440-Y529 HydrophobicContact CG2-CE2 4.15Å; V440-Y529 HydrophobicContact CG2-CG 4.31Å
441	Y	75.5	Confident	72.9	Confident	60 Å²	60	78.3 Å²	78.3	24%	0.235	39%	0.389	C	S	.	.			trans	-87.6	9.6	-178.2	-59.6	-85.2	0	0	0	113.7	R430 E487	R430-Y441 WeakPolarHBondContact CB-O 3.44Å; R430-Y441 PolarHBondContact N-O 3.24Å; Y441-E487 VanDerWaalsContact CB-OE1 3.24Å; Y441-E487 WeakPolarHBondContact CB-OE1 3.29Å; Y441-E487 WeakPolarHBondContact CD2-OE1 3.38Å; Y441-E487 PolarHBondContact N-OE1 3.03Å
442	L	86.8	Confident	74.2	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-99	145.4	-178.6	-64.9	175.8	0	0	0	115	T425 F428 L429 R430 V440 L444 E487 F490 L491	T425-L442 HydrophobicContact CG2-CD2 4.14Å; F428-L442 HydrophobicContact CB-CD2 4.15Å; F428-L442 CarbonylContact O-C 3.57Å; F428-L442 WeakPolarHBondContact O-CA 3.36Å; L429-L442 HydrophobicContact CD2-CD2 4.2Å; R430-L442 PolarHBondContact NE-O 3.26Å; R430-L442 PolarHBondContact NH2-O 3.19Å; V440-L442 VanDerWaalsContact C-N 3.28Å; V440-L442 HydrophobicContact CG1-CB 3.85Å; V440-L442 HydrophobicContact CG1-CD1 4.49Å; V440-L442 HydrophobicContact CG1-CG 4.28Å; V440-L442 PolarHBondContact O-N 3.35Å; L442-L444 HydrophobicContact CB-CD2 4.06Å; L442-L444 HydrophobicContact CB-CG 4.23Å; L442-L444 HydrophobicContact CD1-CD2 4.06Å; L442-L444 PolarHBondContact O-N 2.92Å; L442-E487 HydrophobicContact CD1-CB 3.67Å; L442-E487 HydrophobicContact CD1-CG 4.39Å; L442-E487 VanDerWaalsContact CD1-O 3.27Å; L442-E487 WeakPolarHBondContact CD1-O 3.12Å; L442-E487 HydrophobicContact CD2-CB 4.48Å; L442-E487 HydrophobicContact CG-CB 4.04Å; L442-E487 HydrophobicContact CG-CG 4.38Å; L442-F490 HydrophobicContact CD1-CB 4.26Å; L442-F490 HydrophobicContact CD1-CD2 4.4Å; L442-L491 HydrophobicContact CD1-CD1 3.96Å; L442-L491 HydrophobicContact CD1-CD2 3.8Å; L442-L491 HydrophobicContact CD1-CG 3.56Å; L442-L491 HydrophobicContact CD2-CD1 4.31Å
443	D	88.9	Confident	75.7	Confident	52 Å²	52	75.2 Å²	75.2	28%	0.278	38%	0.378	S	S	.	.			trans	-89.4	80.8	165.5	-167.9	-17.2	0	0	0	110.4	F428 R430 N445 K446 A447	F428-D443 PolarHBondContact O-N 2.97Å; R430-D443 HydrophobicContact CG-CB 3.94Å; D443-N445 VanDerWaalsContact C-N 3.28Å; D443-N445 PolarHBondContact O-N 3.46Å; D443-N445 PolarHBondContact OD1-N 3.44Å; D443-K446 HydrophobicContact CB-CB 3.9Å; D443-K446 PolarHBondContact O-N 3.1Å; D443-K446 WeakPolarHBondContact OD1-CB 3.47Å; D443-K446 PolarHBondContact OD1-N 3.24Å; D443-K446 WeakPolarHBondContact OD2-CB 3.47Å; D443-A447 PolarHBondContact O-N 3.21Å
444	L	88.9	Confident	77.5	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-30.8	-178.3	-61.6	168.4	0	0	0	113.1	V440 L442 A447 R448 F490 L491 E494 Y529	V440-L444 HydrophobicContact CG1-CD1 4.48Å; L442-L444 HydrophobicContact CB-CD2 4.06Å; L442-L444 HydrophobicContact CB-CG 4.23Å; L442-L444 HydrophobicContact CD1-CD2 4.06Å; L442-L444 PolarHBondContact O-N 2.92Å; L444-A447 PolarHBondContact O-N 3.05Å; L444-R448 WeakPolarHBondContact O-CB 3.26Å; L444-R448 PolarHBondContact O-N 3.25Å; L444-F490 HydrophobicContact CD2-CB 3.98Å; L444-L491 HydrophobicContact CD2-CD2 3.99Å; L444-E494 HydrophobicContact CD2-CG 4.4Å; L444-Y529 HydrophobicContact CD1-CE2 3.47Å; L444-Y529 VanDerWaalsContact CD1-CE2 3.47Å; L444-Y529 WeakPolarHBondContact CD1-OH 3.4Å
445	N	88.9	Confident	79.5	Confident	88 Å²	88	60 Å²	60	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-43.6	175.6	-74.6	-29.8	0	0	0	110.7	D443 R448 N449	D443-N445 VanDerWaalsContact C-N 3.28Å; D443-N445 PolarHBondContact O-N 3.46Å; D443-N445 PolarHBondContact OD1-N 3.44Å; N445-R448 PolarHBondContact O-N 2.82Å; N445-R448 PolarHBondContact OD1-NH1 2.92Å; N445-R448 VanDerWaalsContact OD1-NH1 3.07Å; N445-N449 WeakPolarHBondContact O-CB 3.43Å; N445-N449 VanDerWaalsContact O-CG 3.24Å; N445-N449 PolarHBondContact O-N 2.83Å; N445-N449 PolarHBondContact O-ND2 3.35Å
446	K	91.4	Very high	81.5	Confident	71 Å²	71	62 Å²	62	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-42	172.7	-176.1	-179.2	179.7	-171	0	111.8	D443 N449 I450	D443-K446 HydrophobicContact CB-CB 3.9Å; D443-K446 PolarHBondContact O-N 3.1Å; D443-K446 WeakPolarHBondContact OD1-CB 3.47Å; D443-K446 PolarHBondContact OD1-N 3.24Å; D443-K446 WeakPolarHBondContact OD2-CB 3.47Å; K446-N449 PolarHBondContact O-N 2.92Å; K446-I450 HydrophobicContact CG-CD1 3.97Å; K446-I450 WeakPolarHBondContact O-CB 3.26Å; K446-I450 PolarHBondContact O-N 2.94Å
447	A	93.3	Very high	83.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-52.1	175.8	0	0	0	0	0	111.9	F428 D443 L444 N449 I450 F451 L491	F428-A447 HydrophobicContact CB-CB 4.35Å; F428-A447 HydrophobicContact CD1-CB 3.71Å; F428-A447 HydrophobicContact CD2-CB 4.05Å; F428-A447 VanDerWaalsContact CE1-CA 3.48Å; F428-A447 HydrophobicContact CE1-CB 3.93Å; F428-A447 HydrophobicContact CE2-CB 4.24Å; F428-A447 HydrophobicContact CG-CB 3.77Å; F428-A447 HydrophobicContact CZ-CB 4.17Å; D443-A447 PolarHBondContact O-N 3.21Å; L444-A447 PolarHBondContact O-N 3.05Å; A447-N449 VanDerWaalsContact C-N 3.32Å; A447-N449 PolarHBondContact O-N 3.12Å; A447-I450 PolarHBondContact O-N 3.49Å; A447-F451 HydrophobicContact CB-CD2 4.44Å; A447-F451 HydrophobicContact CB-CE2 4.07Å; A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 VanDerWaalsContact O-CD2 3.26Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 VanDerWaalsContact O-CG 3.29Å; A447-F451 WeakPolarHBondContact O-CG 3.32Å; A447-F451 PolarHBondContact O-N 3.39Å; A447-L491 HydrophobicContact CB-CD2 3.57Å
448	R	91.9	Very high	85.5	Confident	60 Å²	60	57 Å²	57	23%	0.226	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-46.1	176.7	-173.9	-173.2	-63.8	135.6	7.3	112.1	L444 N445 K452 E494 T537	L444-R448 WeakPolarHBondContact O-CB 3.26Å; L444-R448 PolarHBondContact O-N 3.25Å; N445-R448 PolarHBondContact O-N 2.82Å; N445-R448 PolarHBondContact OD1-NH1 2.92Å; N445-R448 VanDerWaalsContact OD1-NH1 3.07Å; R448-K452 VanDerWaalsContact O-CB 3.27Å; R448-K452 WeakPolarHBondContact O-CB 3.45Å; R448-K452 PolarHBondContact O-N 3Å; R448-E494 HydrophobicContact CB-CB 4.49Å; R448-E494 IonicContact CZ-OE1 2.67Å; R448-E494 IonicContact CZ-OE2 3.15Å; R448-E494 IonicContact NE-OE2 3.78Å; R448-E494 PolarHBondContact NE-OE2 3.08Å; R448-E494 IonicContact NH2-OE1 3.26Å; R448-E494 PolarHBondContact NH2-OE1 3.35Å; R448-E494 IonicContact NH2-OE2 3.08Å; R448-E494 PolarHBondContact NH2-OE2 3.36Å; R448-T537 PolarHBondContact NH2-OG1 2.84Å
449	N	92.8	Very high	87.1	Confident	104 Å²	104	61.1 Å²	61.1	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-65.8	-45.4	-179.9	-71.6	-19.2	0	0	0	112.2	N445 K446 A447 K452 E453	N445-N449 WeakPolarHBondContact O-CB 3.43Å; N445-N449 VanDerWaalsContact O-CG 3.24Å; N445-N449 PolarHBondContact O-N 2.83Å; N445-N449 PolarHBondContact O-ND2 3.35Å; K446-N449 PolarHBondContact O-N 2.92Å; A447-N449 VanDerWaalsContact C-N 3.32Å; A447-N449 PolarHBondContact O-N 3.12Å; N449-K452 PolarHBondContact O-N 3.32Å; N449-E453 PolarHBondContact O-N 3.16Å
450	I	93.4	Very high	88.7	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-43.9	178.5	-78.7	175	0	0	0	111.3	L390 E392 V395 F428 K446 A447 K452 E453 L454	L390-I450 HydrophobicContact CD2-CG2 3.51Å; L390-I450 HydrophobicContact CG-CG2 4.27Å; E392-I450 HydrophobicContact CG-CD1 4.29Å; V395-I450 HydrophobicContact CG2-CG1 4.44Å; V395-I450 HydrophobicContact CG2-CG2 3.71Å; F428-I450 HydrophobicContact CE1-CB 4.13Å; F428-I450 HydrophobicContact CE1-CD1 3.91Å; F428-I450 HydrophobicContact CE1-CG2 4.15Å; F428-I450 HydrophobicContact CZ-CB 4.49Å; F428-I450 HydrophobicContact CZ-CG2 4.11Å; K446-I450 HydrophobicContact CG-CD1 3.97Å; K446-I450 WeakPolarHBondContact O-CB 3.26Å; K446-I450 PolarHBondContact O-N 2.94Å; A447-I450 PolarHBondContact O-N 3.49Å; I450-K452 VanDerWaalsContact C-N 3.33Å; I450-K452 PolarHBondContact O-N 2.91Å; I450-E453 PolarHBondContact O-N 3.25Å; I450-L454 HydrophobicContact CG2-CD1 4.05Å; I450-L454 HydrophobicContact CG2-CG 4.49Å; I450-L454 WeakPolarHBondContact O-CG 3.43Å; I450-L454 PolarHBondContact O-N 3.13Å
451	F	94.6	Very high	90	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-44	176.1	-65.8	-35.2	0	0	0	111	F418 L424 F428 A447 E453 L454 T455 E494 C495	F418-F451 HydrophobicContact CE1-CD1 4.16Å; F418-F451 AromaticContact CE1-CE1 3.72Å; F418-F451 HydrophobicContact CE1-CE1 3.72Å; F418-F451 HydrophobicContact CZ-CD1 4.26Å; F418-F451 AromaticContact CZ-CE1 3.99Å; F418-F451 HydrophobicContact CZ-CE1 3.99Å; L424-F451 HydrophobicContact CD1-CE1 4.02Å; L424-F451 HydrophobicContact CD1-CZ 3.97Å; L424-F451 HydrophobicContact CG-CZ 4.5Å; F428-F451 AromaticContact CE2-CE1 3.84Å; F428-F451 HydrophobicContact CE2-CE1 3.84Å; F428-F451 HydrophobicContact CE2-CE2 4.42Å; F428-F451 AromaticContact CE2-CZ 3.57Å; F428-F451 HydrophobicContact CE2-CZ 3.57Å; F428-F451 HydrophobicContact CZ-CD1 4.48Å; F428-F451 AromaticContact CZ-CE1 3.82Å; F428-F451 HydrophobicContact CZ-CE1 3.82Å; F428-F451 AromaticContact CZ-CZ 3.92Å; F428-F451 HydrophobicContact CZ-CZ 3.92Å; A447-F451 HydrophobicContact CB-CD2 4.44Å; A447-F451 HydrophobicContact CB-CE2 4.07Å; A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 VanDerWaalsContact O-CD2 3.26Å; A447-F451 WeakPolarHBondContact O-CD2 3.47Å; A447-F451 VanDerWaalsContact O-CG 3.29Å; A447-F451 WeakPolarHBondContact O-CG 3.32Å; A447-F451 PolarHBondContact O-N 3.39Å; F451-E453 VanDerWaalsContact C-N 3.33Å; F451-E453 PolarHBondContact O-N 3.13Å; F451-L454 PolarHBondContact O-N 2.97Å; F451-T455 WeakPolarHBondContact O-CB 3.47Å; F451-T455 WeakPolarHBondContact O-CG2 3.36Å; F451-T455 PolarHBondContact O-N 2.96Å; F451-T455 PolarHBondContact O-OG1 2.84Å; F451-E494 HydrophobicContact CD2-CB 4.3Å; F451-E494 HydrophobicContact CE2-CB 4.44Å; F451-C495 HydrophobicContact CD2-CB 4.03Å; F451-C495 HydrophobicContact CE2-CB 4.32Å; F451-C495 HydrophobicContact CG-CB 4.35Å
452	K	92.9	Very high	90.8	Very high	133 Å²	133	59.7 Å²	59.7	58%	0.578	28%	0.284	S	S	*	.	H	α-helix	trans	-58.2	-44.4	175.5	-171.7	179.9	-178.4	-177.3	0	112.1	R448 N449 I450 T455 Q456	R448-K452 VanDerWaalsContact O-CB 3.27Å; R448-K452 WeakPolarHBondContact O-CB 3.45Å; R448-K452 PolarHBondContact O-N 3Å; N449-K452 PolarHBondContact O-N 3.32Å; I450-K452 VanDerWaalsContact C-N 3.33Å; I450-K452 PolarHBondContact O-N 2.91Å; K452-T455 PolarHBondContact O-N 2.72Å; K452-T455 PolarHBondContact O-OG1 2.67Å; K452-T455 VanDerWaalsContact O-OG1 3.13Å; K452-Q456 WeakPolarHBondContact O-CG 3.47Å; K452-Q456 PolarHBondContact O-N 2.86Å
453	E	93	Very high	91	Very high	59 Å²	59	61.1 Å²	61.1	28%	0.276	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-47.1	177.2	-168.8	-175.7	167	0	0	111.6	V395 I399 N449 I450 F451 T455 Q456	V395-E453 HydrophobicContact CG1-CB 4.49Å; V395-E453 HydrophobicContact CG1-CG 4.15Å; I399-E453 HydrophobicContact CD1-CG 3.84Å; N449-E453 PolarHBondContact O-N 3.16Å; I450-E453 PolarHBondContact O-N 3.25Å; F451-E453 VanDerWaalsContact C-N 3.33Å; F451-E453 PolarHBondContact O-N 3.13Å; E453-T455 VanDerWaalsContact C-N 3.34Å; E453-T455 PolarHBondContact O-N 3.06Å; E453-Q456 WeakPolarHBondContact O-CB 3.29Å; E453-Q456 PolarHBondContact O-N 2.65Å
454	L	91	Very high	91.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-40.3	178.4	-74.3	174.1	0	0	0	112.5	L390 V395 W398 F418 I450 F451 Q456 K457 I460	L390-L454 HydrophobicContact CD2-CD1 3.86Å; V395-L454 HydrophobicContact CB-CD2 4.43Å; V395-L454 HydrophobicContact CG1-CD2 3.81Å; V395-L454 HydrophobicContact CG1-CG 4.08Å; V395-L454 HydrophobicContact CG2-CD2 4.33Å; V395-L454 HydrophobicContact CG2-CG 4.41Å; W398-L454 HydrophobicContact CE3-CD2 3.97Å; F418-L454 HydrophobicContact CE2-CD1 4.22Å; F418-L454 HydrophobicContact CZ-CD1 3.85Å; I450-L454 HydrophobicContact CG2-CD1 4.05Å; I450-L454 HydrophobicContact CG2-CG 4.49Å; I450-L454 WeakPolarHBondContact O-CG 3.43Å; I450-L454 PolarHBondContact O-N 3.13Å; F451-L454 PolarHBondContact O-N 2.97Å; L454-Q456 PolarHBondContact O-N 2.74Å; L454-K457 PolarHBondContact O-N 3.37Å; L454-I460 HydrophobicContact CB-CG2 4.05Å; L454-I460 HydrophobicContact CD2-CD1 4.41Å; L454-I460 HydrophobicContact CD2-CG2 4.09Å
455	T	87.8	Confident	91.6	Very high	30 Å²	30	58.7 Å²	58.7	18%	0.184	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.3	-177.3	55.9	0	0	0	0	114.2	F451 K452 E453 K457 T461 P496 V497	F451-T455 WeakPolarHBondContact O-CB 3.47Å; F451-T455 WeakPolarHBondContact O-CG2 3.36Å; F451-T455 PolarHBondContact O-N 2.96Å; F451-T455 PolarHBondContact O-OG1 2.84Å; K452-T455 PolarHBondContact O-N 2.72Å; K452-T455 PolarHBondContact O-OG1 2.67Å; K452-T455 VanDerWaalsContact O-OG1 3.13Å; E453-T455 VanDerWaalsContact C-N 3.34Å; E453-T455 PolarHBondContact O-N 3.06Å; T455-K457 PolarHBondContact O-N 2.8Å; T455-T461 VanDerWaalsContact CA-OG1 3.27Å; T455-T461 WeakPolarHBondContact CA-OG1 3.19Å; T455-T461 HydrophobicContact CG2-CG2 4.45Å; T455-T461 PolarHBondContact O-OG1 3.5Å; T455-P496 HydrophobicContact CG2-CB 4.24Å; T455-P496 HydrophobicContact CG2-CG 4.25Å; T455-V497 HydrophobicContact CG2-CG1 3.96Å
456	Q	88.4	Confident	91.9	Very high	137 Å²	137	57.7 Å²	57.7	64%	0.64	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.5	170.4	-68.9	176.1	7.9	0	0	113.1	K452 E453 L454	K452-Q456 WeakPolarHBondContact O-CG 3.47Å; K452-Q456 PolarHBondContact O-N 2.86Å; E453-Q456 WeakPolarHBondContact O-CB 3.29Å; E453-Q456 PolarHBondContact O-N 2.65Å; L454-Q456 PolarHBondContact O-N 2.74Å
457	K	89.3	Confident	92.1	Very high	97 Å²	97	54.4 Å²	54.4	42%	0.422	26%	0.262	S	S	.	.	S	Bend	trans	-114.6	112.4	180	-62.8	-60.6	-173.7	-177.9	0	110.1	I399 L454 T455 W459 I460 T461	I399-K457 HydrophobicContact CG2-CG 4.48Å; L454-K457 PolarHBondContact O-N 3.37Å; T455-K457 PolarHBondContact O-N 2.8Å; K457-W459 VanDerWaalsContact C-N 3.25Å; K457-W459 PolarHBondContact O-N 2.85Å; K457-W459 VanDerWaalsContact O-N 3.1Å; K457-I460 HydrophobicContact CB-CB 4.26Å; K457-I460 HydrophobicContact CB-CD1 4.09Å; K457-I460 HydrophobicContact CB-CG1 4.18Å; K457-I460 HydrophobicContact CG-CD1 4.4Å; K457-I460 WeakPolarHBondContact O-CA 3.46Å; K457-I460 PolarHBondContact O-N 3.36Å; K457-T461 PolarHBondContact O-N 2.98Å; K457-T461 PolarHBondContact O-OG1 3.31Å; K457-T461 VanDerWaalsContact O-OG1 3.1Å
458	D	89.1	Confident	92.2	Very high	125 Å²	125	54.5 Å²	54.5	67%	0.668	26%	0.263	S	S	*	.	H	α-helix	trans	-51.5	-40.4	-175.6	-59.9	-26.6	0	0	0	113.9	I460 T461 N462	D458-I460 PolarHBondContact O-N 3.23Å; D458-T461 WeakPolarHBondContact O-CB 3.47Å; D458-T461 PolarHBondContact O-N 3.38Å; D458-N462 WeakPolarHBondContact O-CB 3.46Å; D458-N462 VanDerWaalsContact O-CG 3.26Å; D458-N462 PolarHBondContact O-N 2.73Å; D458-N462 PolarHBondContact O-ND2 2.83Å
459	W	88.1	Confident	92.3	Very high	151 Å²	151	56.5 Å²	56.5	57%	0.572	27%	0.273	S	S	*	.	H	α-helix	trans	-63.6	-38.6	177.3	-78.2	92.2	0	0	0	113.5	W407 K457 M463	W407-W459 HydrophobicContact CZ2-CB 4.19Å; K457-W459 VanDerWaalsContact C-N 3.25Å; K457-W459 PolarHBondContact O-N 2.85Å; K457-W459 VanDerWaalsContact O-N 3.1Å; W459-M463 WeakPolarHBondContact O-CB 3.37Å; W459-M463 PolarHBondContact O-N 3.34Å
460	I	90.4	Very high	92.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-72.6	-44.8	175.8	-64.4	177	0	0	0	108.9	I399 V402 W407 I414 L454 K457 D458 N462 M463 V464	I399-I460 HydrophobicContact CG1-CD1 4.2Å; V402-I460 HydrophobicContact CG2-CD1 4.2Å; V402-I460 HydrophobicContact CG2-CG1 4.46Å; W407-I460 HydrophobicContact CH2-CG1 3.84Å; W407-I460 HydrophobicContact CZ3-CG1 4.31Å; I414-I460 HydrophobicContact CD1-CG1 4.47Å; L454-I460 HydrophobicContact CB-CG2 4.05Å; L454-I460 HydrophobicContact CD2-CD1 4.41Å; L454-I460 HydrophobicContact CD2-CG2 4.09Å; K457-I460 HydrophobicContact CB-CB 4.26Å; K457-I460 HydrophobicContact CB-CD1 4.09Å; K457-I460 HydrophobicContact CB-CG1 4.18Å; K457-I460 HydrophobicContact CG-CD1 4.4Å; K457-I460 WeakPolarHBondContact O-CA 3.46Å; K457-I460 PolarHBondContact O-N 3.36Å; D458-I460 PolarHBondContact O-N 3.23Å; I460-N462 PolarHBondContact O-N 2.81Å; I460-M463 WeakPolarHBondContact O-CB 3.39Å; I460-M463 PolarHBondContact O-N 2.74Å; I460-M463 VanDerWaalsContact O-N 3.16Å; I460-V464 HydrophobicContact CG2-CG2 4.18Å; I460-V464 WeakPolarHBondContact O-CG2 3.33Å; I460-V464 PolarHBondContact O-N 2.76Å
461	T	93.1	Very high	92.3	Very high	16 Å²	16	57.1 Å²	57.1	10%	0.098	28%	0.277	C	S	.	.	H	α-helix	trans	-52.8	-52.2	175.8	-54	0	0	0	0	111.3	T455 K457 D458 M463 V464 T465 V497	T455-T461 VanDerWaalsContact CA-OG1 3.27Å; T455-T461 WeakPolarHBondContact CA-OG1 3.19Å; T455-T461 HydrophobicContact CG2-CG2 4.45Å; T455-T461 PolarHBondContact O-OG1 3.5Å; K457-T461 PolarHBondContact O-N 2.98Å; K457-T461 PolarHBondContact O-OG1 3.31Å; K457-T461 VanDerWaalsContact O-OG1 3.1Å; D458-T461 WeakPolarHBondContact O-CB 3.47Å; D458-T461 PolarHBondContact O-N 3.38Å; T461-M463 PolarHBondContact O-N 3.47Å; T461-V464 PolarHBondContact O-N 3.26Å; T461-T465 WeakPolarHBondContact O-CB 3.44Å; T461-T465 PolarHBondContact O-N 2.8Å; T461-T465 PolarHBondContact O-OG1 3.36Å; T461-V497 HydrophobicContact CG2-CG1 3.62Å
462	N	92.4	Very high	92.3	Very high	101 Å²	101	57 Å²	57	54%	0.54	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-42.7	178.4	-71.6	-21.5	0	0	0	112	D458 I460 T465 T466	D458-N462 WeakPolarHBondContact O-CB 3.46Å; D458-N462 VanDerWaalsContact O-CG 3.26Å; D458-N462 PolarHBondContact O-N 2.73Å; D458-N462 PolarHBondContact O-ND2 2.83Å; I460-N462 PolarHBondContact O-N 2.81Å; N462-T465 PolarHBondContact O-N 3.14Å; N462-T466 PolarHBondContact O-N 2.73Å; N462-T466 PolarHBondContact O-OG1 3.38Å
463	M	92.4	Very high	92.3	Very high	29 Å²	29	51 Å²	51	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-45.1	177.5	-168.1	67.9	52.5	0	0	111.8	K411 I414 Q415 W459 I460 T461 T466 C467	K411-M463 HydrophobicContact CD-CE 4.07Å; K411-M463 HydrophobicContact CG-CE 3.95Å; I414-M463 HydrophobicContact CB-CG 4.36Å; I414-M463 HydrophobicContact CG2-CB 4.31Å; I414-M463 HydrophobicContact CG2-CG 3.68Å; Q415-M463 HydrophobicContact CG-SD 4.14Å; W459-M463 WeakPolarHBondContact O-CB 3.37Å; W459-M463 PolarHBondContact O-N 3.34Å; I460-M463 WeakPolarHBondContact O-CB 3.39Å; I460-M463 PolarHBondContact O-N 2.74Å; I460-M463 VanDerWaalsContact O-N 3.16Å; T461-M463 PolarHBondContact O-N 3.47Å; M463-T466 PolarHBondContact O-N 3.43Å; M463-C467 PolarHBondContact O-N 2.82Å; M463-C467 PolarHBondContact O-SG 3.33Å
464	V	94.6	Very high	92.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-50.3	176.7	169.7	0	0	0	0	109.6	I414 F418 I460 T461 T466 C467 L468 V497	I414-V464 HydrophobicContact CG2-CG2 4.31Å; F418-V464 HydrophobicContact CD1-CB 4.45Å; F418-V464 HydrophobicContact CD1-CG1 3.7Å; F418-V464 HydrophobicContact CD1-CG2 4.12Å; F418-V464 HydrophobicContact CD2-CG2 4.12Å; F418-V464 HydrophobicContact CE1-CG1 3.76Å; F418-V464 HydrophobicContact CE1-CG2 4Å; F418-V464 HydrophobicContact CE2-CG2 4.01Å; F418-V464 HydrophobicContact CG-CG1 4.38Å; F418-V464 HydrophobicContact CG-CG2 4.17Å; F418-V464 HydrophobicContact CZ-CG2 3.94Å; I460-V464 HydrophobicContact CG2-CG2 4.18Å; I460-V464 WeakPolarHBondContact O-CG2 3.33Å; I460-V464 PolarHBondContact O-N 2.76Å; T461-V464 PolarHBondContact O-N 3.26Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 2.88Å; V464-C467 PolarHBondContact O-N 2.8Å; V464-L468 HydrophobicContact CG1-CD1 4.04Å; V464-L468 HydrophobicContact CG1-CG 4.17Å; V464-L468 VanDerWaalsContact O-CG 3.32Å; V464-L468 WeakPolarHBondContact O-CG 3.3Å; V464-L468 PolarHBondContact O-N 3.01Å; V464-V497 HydrophobicContact CG1-CG2 4.43Å
465	T	95.4	Very high	92.2	Very high	18 Å²	18	60.7 Å²	60.7	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-53	-48	176.2	-59	0	0	0	0	111.9	T461 N462 C467 L468 K469 L507	T461-T465 WeakPolarHBondContact O-CB 3.44Å; T461-T465 PolarHBondContact O-N 2.8Å; T461-T465 PolarHBondContact O-OG1 3.36Å; N462-T465 PolarHBondContact O-N 3.14Å; T465-C467 PolarHBondContact O-N 3.06Å; T465-L468 PolarHBondContact O-N 3.5Å; T465-K469 VanDerWaalsContact O-CB 3.31Å; T465-K469 WeakPolarHBondContact O-CB 3.37Å; T465-K469 PolarHBondContact O-N 3.31Å; T465-L507 HydrophobicContact CG2-CD1 4.28Å
466	T	95.1	Very high	92.4	Very high	67 Å²	67	59.6 Å²	59.6	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-43	176.1	-56.9	0	0	0	0	112	N462 M463 V464 K469 D470	N462-T466 PolarHBondContact O-N 2.73Å; N462-T466 PolarHBondContact O-OG1 3.38Å; M463-T466 PolarHBondContact O-N 3.43Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 2.88Å; T466-K469 PolarHBondContact O-N 3.36Å; T466-D470 VanDerWaalsContact CG2-OD2 3.23Å; T466-D470 WeakPolarHBondContact CG2-OD2 3.45Å; T466-D470 WeakPolarHBondContact O-CB 3.3Å; T466-D470 PolarHBondContact O-N 3.41Å
467	C	95.1	Very high	92.5	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-42.1	179.1	-65.7	0	0	0	0	112.1	F418 M463 V464 T465 N471 L472	F418-C467 HydrophobicContact CB-CB 3.68Å; M463-C467 PolarHBondContact O-N 2.82Å; M463-C467 PolarHBondContact O-SG 3.33Å; V464-C467 PolarHBondContact O-N 2.8Å; T465-C467 PolarHBondContact O-N 3.06Å; C467-N471 WeakPolarHBondContact O-CB 3.46Å; C467-N471 PolarHBondContact O-N 3.48Å; C467-L472 PolarHBondContact O-N 3.21Å
468	L	95.7	Very high	92.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	24%	0.241	C	C	.	.	I	π-helix	trans	-63	-51.3	177	-63.5	-176.8	0	0	0	110.9	F418 V464 T465 L472 L473 L492 V497 L507	F418-L468 HydrophobicContact CD1-CD2 4.36Å; V464-L468 HydrophobicContact CG1-CD1 4.04Å; V464-L468 HydrophobicContact CG1-CG 4.17Å; V464-L468 VanDerWaalsContact O-CG 3.32Å; V464-L468 WeakPolarHBondContact O-CG 3.3Å; V464-L468 PolarHBondContact O-N 3.01Å; T465-L468 PolarHBondContact O-N 3.5Å; L468-L472 HydrophobicContact CD2-CB 4.18Å; L468-L472 HydrophobicContact CD2-CD2 3.36Å; L468-L472 HydrophobicContact CD2-CG 4.39Å; L468-L472 PolarHBondContact O-N 3.37Å; L468-L473 WeakPolarHBondContact O-CB 3.08Å; L468-L473 VanDerWaalsContact O-CG 3.32Å; L468-L473 WeakPolarHBondContact O-CG 3.07Å; L468-L473 PolarHBondContact O-N 3.48Å; L468-L492 HydrophobicContact CD2-CD2 3.96Å; L468-V497 HydrophobicContact CD1-CG2 3.59Å; L468-L507 HydrophobicContact CB-CD2 3.79Å; L468-L507 HydrophobicContact CD1-CD1 4.43Å
469	K	94.3	Very high	91.9	Very high	102 Å²	102	51.7 Å²	51.7	44%	0.443	24%	0.241	S	C	.	.	I	π-helix	trans	-60.4	-55.6	-179.6	-177.7	-173.6	178.9	173.6	0	112.6	T465 T466 L507	T465-K469 VanDerWaalsContact O-CB 3.31Å; T465-K469 WeakPolarHBondContact O-CB 3.37Å; T465-K469 PolarHBondContact O-N 3.31Å; T466-K469 PolarHBondContact O-N 3.36Å; K469-L507 HydrophobicContact CB-CD2 3.9Å
470	D	92.5	Very high	91.8	Very high	69 Å²	69	44.6 Å²	44.6	37%	0.369	22%	0.215	S	C	.	.	I	π-helix	trans	-84.4	-23.5	-165.2	-65.6	-20.6	0	0	0	112.8	T466 K474	T466-D470 VanDerWaalsContact CG2-OD2 3.23Å; T466-D470 WeakPolarHBondContact CG2-OD2 3.45Å; T466-D470 WeakPolarHBondContact O-CB 3.3Å; T466-D470 PolarHBondContact O-N 3.41Å; D470-K474 WeakPolarHBondContact O-CD 3.45Å; D470-K474 WeakPolarHBondContact O-CE 3.34Å; D470-K474 PolarHBondContact O-NZ 3.23Å
471	N	92.7	Very high	91.4	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.283	24%	0.24	S	C	.	.	I	π-helix	trans	-126.4	-60.2	-172.1	-54.3	-75.2	0	0	0	114	S419 C467 K474 R475	S419-N471 VanDerWaalsContact CB-CB 3.48Å; S419-N471 WeakPolarHBondContact OG-CB 2.89Å; S419-N471 PolarHBondContact OG-ND2 3.39Å; C467-N471 WeakPolarHBondContact O-CB 3.46Å; C467-N471 PolarHBondContact O-N 3.48Å; N471-K474 PolarHBondContact O-N 3.37Å; N471-R475 PolarHBondContact O-N 2.73Å
472	L	94.9	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-63.8	-49.5	-167.8	-168.9	78.9	0	0	0	112.5	F418 P421 L424 C467 L468 K474 R475 L476 V488 L492	F418-L472 WeakPolarHBondContact O-CB 3.1Å; P421-L472 HydrophobicContact CB-CD1 4.39Å; P421-L472 HydrophobicContact CG-CD1 3.87Å; P421-L472 VanDerWaalsContact N-CD1 3.29Å; L424-L472 HydrophobicContact CD2-CD2 4.12Å; C467-L472 PolarHBondContact O-N 3.21Å; L468-L472 HydrophobicContact CD2-CB 4.18Å; L468-L472 HydrophobicContact CD2-CD2 3.36Å; L468-L472 HydrophobicContact CD2-CG 4.39Å; L468-L472 PolarHBondContact O-N 3.37Å; L472-K474 PolarHBondContact O-N 3.06Å; L472-R475 CarbonylContact O-C 3.59Å; L472-R475 PolarHBondContact O-N 3.1Å; L472-L476 PolarHBondContact O-N 3.25Å; L472-V488 HydrophobicContact CD2-CG2 4.49Å; L472-L492 HydrophobicContact CD2-CD1 4.45Å; L472-L492 HydrophobicContact CD2-CD2 3.61Å; L472-L492 HydrophobicContact CD2-CG 4.45Å
473	L	93.7	Very high	90.9	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.042	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61	-32	-175.8	-72.8	167.5	0	0	0	112.2	L468 R475 L476 L492 L507 P510 F511	L468-L473 WeakPolarHBondContact O-CB 3.08Å; L468-L473 VanDerWaalsContact O-CG 3.32Å; L468-L473 WeakPolarHBondContact O-CG 3.07Å; L468-L473 PolarHBondContact O-N 3.48Å; L473-R475 VanDerWaalsContact C-N 3.27Å; L473-R475 PolarHBondContact O-N 3.05Å; L473-L476 HydrophobicContact CD2-CD1 3.81Å; L473-L492 HydrophobicContact CD2-CD1 4.29Å; L473-L507 HydrophobicContact CD1-CB 4.36Å; L473-L507 HydrophobicContact CD1-CD2 3.7Å; L473-P510 HydrophobicContact CB-CB 4.42Å; L473-P510 HydrophobicContact CD1-CB 4.17Å; L473-F511 HydrophobicContact CD2-CB 4.09Å
474	K	91	Very high	90.7	Very high	157 Å²	157	46.3 Å²	46.3	68%	0.683	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-73.9	-16.1	176.4	-60.9	179.5	-171.2	159.4	0	113.6	D470 N471 L472	D470-K474 WeakPolarHBondContact O-CD 3.45Å; D470-K474 WeakPolarHBondContact O-CE 3.34Å; D470-K474 PolarHBondContact O-NZ 3.23Å; N471-K474 PolarHBondContact O-N 3.37Å; L472-K474 PolarHBondContact O-N 3.06Å
475	R	90.5	Very high	90.4	Very high	108 Å²	108	46.2 Å²	46.2	41%	0.408	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-115.5	12.3	-175.5	-62.8	-175.5	-172.9	169.7	6.9	113	P421 N471 L472 L473	P421-R475 WeakPolarHBondContact CG-O 3.46Å; N471-R475 PolarHBondContact O-N 2.73Å; L472-R475 CarbonylContact O-C 3.59Å; L472-R475 PolarHBondContact O-N 3.1Å; L473-R475 VanDerWaalsContact C-N 3.27Å; L473-R475 PolarHBondContact O-N 3.05Å
476	L	92.7	Very high	90.2	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	22%	0.22	C	C	.	.			trans	-61.4	137	178.7	-77.6	177.1	0	0	0	110.8	L472 L473 F478 V488 F489 L492 F511 V514	L472-L476 PolarHBondContact O-N 3.25Å; L473-L476 HydrophobicContact CD2-CD1 3.81Å; L476-F478 VanDerWaalsContact C-N 3.27Å; L476-F478 WeakPolarHBondContact O-CD1 3.24Å; L476-F478 PolarHBondContact O-N 3.49Å; L476-V488 HydrophobicContact CD2-CB 4.49Å; L476-V488 HydrophobicContact CD2-CG1 3.59Å; L476-V488 HydrophobicContact CD2-CG2 4.05Å; L476-F489 HydrophobicContact CB-CE1 4.31Å; L476-F489 HydrophobicContact CB-CE2 4.5Å; L476-F489 HydrophobicContact CB-CZ 3.76Å; L476-F489 HydrophobicContact CD1-CE1 3.79Å; L476-F489 HydrophobicContact CD1-CZ 4.1Å; L476-F489 HydrophobicContact CD2-CE1 4.43Å; L476-F489 HydrophobicContact CD2-CZ 4.22Å; L476-F489 HydrophobicContact CG-CE1 4.42Å; L476-F489 HydrophobicContact CG-CZ 4.26Å; L476-L492 HydrophobicContact CD1-CD1 4.16Å; L476-L492 HydrophobicContact CD2-CD1 3.97Å; L476-F511 HydrophobicContact CD1-CD2 4.4Å; L476-V514 HydrophobicContact CB-CG1 3.86Å; L476-V514 HydrophobicContact CD1-CB 4.27Å; L476-V514 HydrophobicContact CD1-CG1 3.97Å; L476-V514 HydrophobicContact CD1-CG2 4.34Å
477	P	90.3	Very high	90.1	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.032	20%	0.201	C	C	.	.			trans	-87.7	54.4	-169.7	36.9	-38.7	0	0	0	112.8	A188 H479 S480 A485 V488 F489	A188-P477 HydrophobicContact CB-CB 4.3Å; A188-P477 WeakPolarHBondContact O-CB 3.36Å; P477-H479 PolarHBondContact O-N 3.13Å; P477-H479 VanDerWaalsContact O-N 3.16Å; P477-S480 PolarHBondContact O-N 2.97Å; P477-S480 VanDerWaalsContact O-N 3.1Å; P477-A485 HydrophobicContact CB-CB 4.01Å; P477-A485 HydrophobicContact CG-CB 3.92Å; P477-A485 WeakPolarHBondContact CG-O 3.12Å; P477-V488 HydrophobicContact CG-CG1 4.18Å; P477-F489 HydrophobicContact CG-CE2 4.32Å
478	F	83.7	Confident	90	Very high	43 Å²	43	42.3 Å²	42.3	19%	0.189	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10	-175.5	63.9	-84.4	0	0	0	114.7	L476 F489 V514 K517 M518	L476-F478 VanDerWaalsContact C-N 3.27Å; L476-F478 WeakPolarHBondContact O-CD1 3.24Å; L476-F478 PolarHBondContact O-N 3.49Å; F478-F489 HydrophobicContact CB-CZ 4.27Å; F478-V514 HydrophobicContact CB-CG1 3.65Å; F478-V514 HydrophobicContact CD1-CG1 3.62Å; F478-V514 HydrophobicContact CG-CG1 3.82Å; F478-K517 HydrophobicContact CD2-CB 3.91Å; F478-K517 HydrophobicContact CE2-CB 3.93Å; F478-K517 HydrophobicContact CE2-CD 4.38Å; F478-M518 HydrophobicContact CB-CE 4.25Å; F478-M518 HydrophobicContact CB-CG 3.89Å
479	H	81.9	Confident	90	Very high	144 Å²	144	42.3 Å²	42.3	67%	0.667	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.2	173.4	-65.4	-54.4	0	0	0	113.8	P477	P477-H479 PolarHBondContact O-N 3.13Å; P477-H479 VanDerWaalsContact O-N 3.16Å
480	S	84.8	Confident	89.9	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.014	18%	0.179	C	C	.	.			trans	-71.2	133.7	-178.9	-177.9	0	0	0	0	110.1	H186 P477 H482 A485	H186-S480 PolarHBondContact O-OG 3.19Å; P477-S480 PolarHBondContact O-N 2.97Å; P477-S480 VanDerWaalsContact O-N 3.1Å; S480-H482 PolarHBondContact O-N 3.29Å; S480-H482 PolarHBondContact OG-N 2.89Å; S480-A485 VanDerWaalsContact CB-CB 3.5Å; S480-A485 VanDerWaalsContact OG-CB 3.31Å; S480-A485 WeakPolarHBondContact OG-CB 3.33Å
481	P	83.6	Confident	89.9	Confident	81 Å²	81	34.2 Å²	34.2	53%	0.526	16%	0.162	S	C	.	.			trans	-80.7	-0.7	174.4	34.8	-36.3	0	0	0	112.7
482	H	88.1	Confident	90	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.083	15%	0.149	C	C	.	.			trans	-101.9	126.3	-173.2	-56.4	-47.5	0	0	0	111.2	H186 V190 Y212 P233 S480 E484 A485	H186-H482 PolarHBondContact O-CD2 3.11Å; V190-H482 HydrophobicContact CG2-CB 4.32Å; Y212-H482 AromaticContact CD1-CE1 3.84Å; Y212-H482 AromaticContact CD1-NE2 3.83Å; Y212-H482 HydrophobicContact CE1-CB 4.23Å; Y212-H482 AromaticContact CE1-CD2 3.74Å; Y212-H482 AromaticContact CE1-CE1 3.7Å; Y212-H482 AromaticContact CE1-CG 3.59Å; Y212-H482 AromaticContact CE1-ND1 3.58Å; Y212-H482 AromaticContact CE1-NE2 3.81Å; P233-H482 PolarHBondContact O-CE1 2.85Å; P233-H482 PolarHBondContact O-NE2 3.3Å; S480-H482 PolarHBondContact O-N 3.29Å; S480-H482 PolarHBondContact OG-N 2.89Å; H482-E484 VanDerWaalsContact C-N 3.26Å; H482-E484 PolarHBondContact O-N 3.01Å; H482-A485 WeakPolarHBondContact O-CB 3.31Å; H482-A485 PolarHBondContact O-N 3.46Å
483	Q	86.2	Confident	90	Very high	80 Å²	80	32.6 Å²	32.6	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-54.2	-39.6	-179.6	-176.2	175.8	0.2	0	0	113.1	P439 A485 L486 E487 V525	P439-Q483 PolarHBondContact O-NE2 3.5Å; Q483-A485 PolarHBondContact O-N 2.98Å; Q483-L486 WeakPolarHBondContact O-CB 3.18Å; Q483-L486 PolarHBondContact O-N 3.3Å; Q483-E487 PolarHBondContact O-N 3.24Å; Q483-V525 HydrophobicContact CG-CG1 4.15Å
484	E	87.3	Confident	90	Very high	5 Å²	5	33 Å²	33	2%	0.023	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-31.9	177.2	-77.1	-170.8	-105.6	0	0	113.7	S206 S208 N210 Y212 H482 L486 E487	S206-E484 WeakPolarHBondContact CB-OE2 3.4Å; S206-E484 PolarHBondContact OG-OE1 3.48Å; S206-E484 PolarHBondContact OG-OE2 2.51Å; S206-E484 VanDerWaalsContact OG-OE2 3.07Å; S208-E484 WeakPolarHBondContact CB-OE2 3.35Å; S208-E484 PolarHBondContact OG-OE1 3.16Å; S208-E484 PolarHBondContact OG-OE2 3.38Å; N210-E484 WeakPolarHBondContact CB-OE1 3.47Å; N210-E484 VanDerWaalsContact CG-OE1 3.3Å; N210-E484 PolarHBondContact ND2-OE1 3.46Å; Y212-E484 PolarHBondContact OH-OE1 3.34Å; H482-E484 VanDerWaalsContact C-N 3.26Å; H482-E484 PolarHBondContact O-N 3.01Å; E484-L486 VanDerWaalsContact C-N 3.32Å; E484-E487 WeakPolarHBondContact O-CB 3.42Å
485	A	89.8	Confident	90.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.7	-32.9	177.4	0	0	0	0	0	111.4	A188 V190 P477 S480 H482 Q483 E487	A188-A485 VanDerWaalsContact O-CB 3.29Å; A188-A485 WeakPolarHBondContact O-CB 3.07Å; V190-A485 HydrophobicContact CG2-CB 3.99Å; P477-A485 HydrophobicContact CB-CB 4.01Å; P477-A485 HydrophobicContact CG-CB 3.92Å; P477-A485 WeakPolarHBondContact CG-O 3.12Å; S480-A485 VanDerWaalsContact CB-CB 3.5Å; S480-A485 VanDerWaalsContact OG-CB 3.31Å; S480-A485 WeakPolarHBondContact OG-CB 3.33Å; H482-A485 WeakPolarHBondContact O-CB 3.31Å; H482-A485 PolarHBondContact O-N 3.46Å; Q483-A485 PolarHBondContact O-N 2.98Å; A485-E487 PolarHBondContact O-N 3.13Å
486	L	91.3	Very high	90.3	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-74.5	-13.4	-178.6	-56	-179.6	0	0	0	112.8	Q483 E484 V488 F489 M518 V525	Q483-L486 WeakPolarHBondContact O-CB 3.18Å; Q483-L486 PolarHBondContact O-N 3.3Å; E484-L486 VanDerWaalsContact C-N 3.32Å; L486-V488 PolarHBondContact O-N 3.4Å; L486-V488 VanDerWaalsContact O-N 3.11Å; L486-F489 HydrophobicContact CB-CD2 4.5Å; L486-F489 HydrophobicContact CD2-CD2 4.46Å; L486-F489 HydrophobicContact CD2-CE2 4.28Å; L486-F489 WeakPolarHBondContact O-CB 3.48Å; L486-F489 VanDerWaalsContact O-CD2 3.31Å; L486-F489 WeakPolarHBondContact O-CD2 3.44Å; L486-F489 PolarHBondContact O-N 3.44Å; L486-M518 HydrophobicContact CD2-CE 4.47Å; L486-V525 HydrophobicContact CD1-CB 4.34Å; L486-V525 HydrophobicContact CD1-CG1 4.36Å
487	E	91.7	Very high	90.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.9	-177.3	-69.6	-165	154	0	0	114	T425 Y441 L442 Q483 E484 A485 F489 F490 L491	T425-E487 HydrophobicContact CG2-CB 3.82Å; T425-E487 WeakPolarHBondContact CG2-OE2 3.47Å; Y441-E487 VanDerWaalsContact CB-OE1 3.24Å; Y441-E487 WeakPolarHBondContact CB-OE1 3.29Å; Y441-E487 WeakPolarHBondContact CD2-OE1 3.38Å; Y441-E487 PolarHBondContact N-OE1 3.03Å; L442-E487 HydrophobicContact CD1-CB 3.67Å; L442-E487 HydrophobicContact CD1-CG 4.39Å; L442-E487 VanDerWaalsContact CD1-O 3.27Å; L442-E487 WeakPolarHBondContact CD1-O 3.12Å; L442-E487 HydrophobicContact CD2-CB 4.48Å; L442-E487 HydrophobicContact CG-CB 4.04Å; L442-E487 HydrophobicContact CG-CG 4.38Å; Q483-E487 PolarHBondContact O-N 3.24Å; E484-E487 WeakPolarHBondContact O-CB 3.42Å; A485-E487 PolarHBondContact O-N 3.13Å; E487-F489 PolarHBondContact O-N 3.09Å; E487-F490 HydrophobicContact CB-CD2 4.34Å; E487-F490 HydrophobicContact CG-CD2 4.38Å; E487-F490 HydrophobicContact CG-CE2 4.36Å; E487-F490 WeakPolarHBondContact O-CB 3.24Å; E487-F490 PolarHBondContact O-N 2.89Å; E487-L491 PolarHBondContact O-N 3.49Å
488	V	94.2	Very high	90.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-30.6	174.5	69.3	0	0	0	0	112.4	P421 L424 L472 L476 P477 L486 F490 L491 L492	P421-V488 HydrophobicContact CB-CB 4.16Å; P421-V488 HydrophobicContact CB-CG1 4.18Å; P421-V488 HydrophobicContact CB-CG2 4.03Å; L424-V488 HydrophobicContact CD2-CG2 4.35Å; L472-V488 HydrophobicContact CD2-CG2 4.49Å; L476-V488 HydrophobicContact CD2-CB 4.49Å; L476-V488 HydrophobicContact CD2-CG1 3.59Å; L476-V488 HydrophobicContact CD2-CG2 4.05Å; P477-V488 HydrophobicContact CG-CG1 4.18Å; L486-V488 PolarHBondContact O-N 3.4Å; L486-V488 VanDerWaalsContact O-N 3.11Å; V488-F490 PolarHBondContact O-N 3.39Å; V488-L491 PolarHBondContact O-N 3.06Å; V488-L491 VanDerWaalsContact O-N 3.16Å; V488-L492 PolarHBondContact O-N 3.26Å; V488-L492 VanDerWaalsContact O-N 3.16Å
489	F	94.2	Very high	91.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-69.5	-21.2	178.4	-67.8	-89.4	0	0	0	112.4	L476 P477 F478 L486 E487 P493 F511 V514 V515 M518 L526	L476-F489 HydrophobicContact CB-CE1 4.31Å; L476-F489 HydrophobicContact CB-CE2 4.5Å; L476-F489 HydrophobicContact CB-CZ 3.76Å; L476-F489 HydrophobicContact CD1-CE1 3.79Å; L476-F489 HydrophobicContact CD1-CZ 4.1Å; L476-F489 HydrophobicContact CD2-CE1 4.43Å; L476-F489 HydrophobicContact CD2-CZ 4.22Å; L476-F489 HydrophobicContact CG-CE1 4.42Å; L476-F489 HydrophobicContact CG-CZ 4.26Å; P477-F489 HydrophobicContact CG-CE2 4.32Å; F478-F489 HydrophobicContact CB-CZ 4.27Å; L486-F489 HydrophobicContact CB-CD2 4.5Å; L486-F489 HydrophobicContact CD2-CD2 4.46Å; L486-F489 HydrophobicContact CD2-CE2 4.28Å; L486-F489 WeakPolarHBondContact O-CB 3.48Å; L486-F489 VanDerWaalsContact O-CD2 3.31Å; L486-F489 WeakPolarHBondContact O-CD2 3.44Å; L486-F489 PolarHBondContact O-N 3.44Å; E487-F489 PolarHBondContact O-N 3.09Å; F489-P493 WeakPolarHBondContact O-CD 3.46Å; F489-F511 HydrophobicContact CB-CE2 4.42Å; F489-F511 HydrophobicContact CD1-CD2 4.3Å; F489-F511 AromaticContact CD1-CE2 3.58Å; F489-F511 HydrophobicContact CD1-CE2 3.58Å; F489-F511 HydrophobicContact CD1-CZ 4.21Å; F489-F511 HydrophobicContact CE1-CE2 4.33Å; F489-F511 HydrophobicContact CG-CE2 4.42Å; F489-V514 HydrophobicContact CE1-CG1 3.65Å; F489-V514 HydrophobicContact CZ-CG1 3.7Å; F489-V515 HydrophobicContact CD1-CG2 3.74Å; F489-V515 HydrophobicContact CE1-CG2 3.93Å; F489-M518 HydrophobicContact CD1-CE 3.46Å; F489-M518 VanDerWaalsContact CD1-CE 3.46Å; F489-M518 HydrophobicContact CD2-CE 3.59Å; F489-M518 HydrophobicContact CE1-CE 3.13Å; F489-M518 HydrophobicContact CE2-CE 3.26Å; F489-M518 HydrophobicContact CG-CE 3.69Å; F489-M518 HydrophobicContact CZ-CE 3.02Å; F489-L526 HydrophobicContact CB-CD2 3.74Å; F489-L526 HydrophobicContact CG-CD2 4.46Å
490	F	92.4	Very high	91.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-80.7	-31.2	172.7	-50.7	-34.9	0	0	0	112	V440 L442 L444 E487 V488 V525 L526 Y529	V440-F490 HydrophobicContact CG1-CD2 3.84Å; V440-F490 HydrophobicContact CG1-CE2 4.23Å; V440-F490 HydrophobicContact CG2-CD2 4.09Å; V440-F490 HydrophobicContact CG2-CE2 3.81Å; V440-F490 HydrophobicContact CG2-CZ 4.39Å; L442-F490 HydrophobicContact CD1-CB 4.26Å; L442-F490 HydrophobicContact CD1-CD2 4.4Å; L444-F490 HydrophobicContact CD2-CB 3.98Å; E487-F490 HydrophobicContact CB-CD2 4.34Å; E487-F490 HydrophobicContact CG-CD2 4.38Å; E487-F490 HydrophobicContact CG-CE2 4.36Å; E487-F490 WeakPolarHBondContact O-CB 3.24Å; E487-F490 PolarHBondContact O-N 2.89Å; V488-F490 PolarHBondContact O-N 3.39Å; F490-V525 HydrophobicContact CZ-CG1 4.24Å; F490-L526 HydrophobicContact CD1-CD2 3.94Å; F490-L526 HydrophobicContact CE1-CD2 3.29Å; F490-L526 HydrophobicContact CZ-CD2 4Å; F490-Y529 HydrophobicContact CB-CD1 4.47Å; F490-Y529 HydrophobicContact CB-CE1 3.9Å; F490-Y529 HydrophobicContact CB-CE2 4.44Å; F490-Y529 AromaticContact CD1-CD1 3.07Å; F490-Y529 HydrophobicContact CD1-CD1 3.07Å; F490-Y529 HydrophobicContact CD1-CD2 4.22Å; F490-Y529 AromaticContact CD1-CE1 3.32Å; F490-Y529 HydrophobicContact CD1-CE1 3.32Å; F490-Y529 HydrophobicContact CD1-CE2 4.41Å; F490-Y529 AromaticContact CD1-CG 3.52Å; F490-Y529 HydrophobicContact CD1-CG 3.52Å; F490-Y529 AromaticContact CD1-CZ 3.98Å; F490-Y529 VanDerWaalsContact CE1-CB 3.42Å; F490-Y529 AromaticContact CE1-CD1 3.26Å; F490-Y529 HydrophobicContact CE1-CD1 3.26Å; F490-Y529 HydrophobicContact CE1-CD2 4.28Å; F490-Y529 HydrophobicContact CE1-CE1 4.02Å; F490-Y529 AromaticContact CE1-CG 3.37Å; F490-Y529 HydrophobicContact CE1-CG 3.37Å; F490-Y529 HydrophobicContact CE2-CG 4.48Å; F490-Y529 AromaticContact CG-CD1 3.9Å; F490-Y529 HydrophobicContact CG-CD1 3.9Å; F490-Y529 HydrophobicContact CG-CD2 4.38Å; F490-Y529 AromaticContact CG-CE1 3.83Å; F490-Y529 HydrophobicContact CG-CE1 3.83Å; F490-Y529 HydrophobicContact CG-CE2 4.32Å; F490-Y529 HydrophobicContact CG-CG 4.12Å; F490-Y529 HydrophobicContact CZ-CD1 4.24Å; F490-Y529 AromaticContact CZ-CG 3.9Å; F490-Y529 HydrophobicContact CZ-CG 3.9Å
491	L	93.9	Very high	91.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-76.9	-35.5	-178.9	-67.6	172.1	0	0	0	113	L424 F428 L442 L444 A447 E487 V488 E494	L424-L491 HydrophobicContact CG-CD1 4.18Å; F428-L491 HydrophobicContact CB-CD2 4.13Å; F428-L491 HydrophobicContact CD2-CD1 3.96Å; F428-L491 HydrophobicContact CD2-CD2 3.8Å; F428-L491 HydrophobicContact CG-CD2 4.18Å; L442-L491 HydrophobicContact CD1-CD1 3.96Å; L442-L491 HydrophobicContact CD1-CD2 3.8Å; L442-L491 HydrophobicContact CD1-CG 3.56Å; L442-L491 HydrophobicContact CD2-CD1 4.31Å; L444-L491 HydrophobicContact CD2-CD2 3.99Å; A447-L491 HydrophobicContact CB-CD2 3.57Å; E487-L491 PolarHBondContact O-N 3.49Å; V488-L491 PolarHBondContact O-N 3.06Å; V488-L491 VanDerWaalsContact O-N 3.16Å; L491-E494 WeakPolarHBondContact O-CB 3.46Å; L491-E494 PolarHBondContact O-N 3.1Å; L491-E494 VanDerWaalsContact O-N 3.1Å
492	L	94.9	Very high	91.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-60.9	-49.4	-174.8	-72.2	174.2	0	0	0	113	L468 L472 L473 L476 V488 E494 C495 M498 F511	L468-L492 HydrophobicContact CD2-CD2 3.96Å; L472-L492 HydrophobicContact CD2-CD1 4.45Å; L472-L492 HydrophobicContact CD2-CD2 3.61Å; L472-L492 HydrophobicContact CD2-CG 4.45Å; L473-L492 HydrophobicContact CD2-CD1 4.29Å; L476-L492 HydrophobicContact CD1-CD1 4.16Å; L476-L492 HydrophobicContact CD2-CD1 3.97Å; V488-L492 PolarHBondContact O-N 3.26Å; V488-L492 VanDerWaalsContact O-N 3.16Å; L492-E494 PolarHBondContact O-N 3.26Å; L492-E494 VanDerWaalsContact O-N 3.09Å; L492-C495 VanDerWaalsContact O-CB 3.27Å; L492-C495 WeakPolarHBondContact O-CB 3.46Å; L492-C495 PolarHBondContact O-N 3.14Å; L492-M498 WeakPolarHBondContact O-CG 3.39Å; L492-F511 HydrophobicContact CB-CD2 4.39Å; L492-F511 HydrophobicContact CB-CE2 4.06Å; L492-F511 HydrophobicContact CD1-CD2 3.7Å; L492-F511 HydrophobicContact CD1-CE2 3.81Å
493	P	94.1	Very high	92	Very high	17 Å²	17	26.7 Å²	26.7	11%	0.11	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.9	175.9	-23.9	35.1	0	0	0	114.5	F489 C495 H499 F511 L541	F489-P493 WeakPolarHBondContact O-CD 3.46Å; P493-C495 VanDerWaalsContact C-N 3.27Å; P493-H499 PolarHBondContact O-NE2 3.19Å; P493-F511 HydrophobicContact CG-CE1 4.39Å; P493-F511 HydrophobicContact CG-CZ 4.09Å; P493-L541 HydrophobicContact CB-CD1 3.8Å; P493-L541 HydrophobicContact CG-CD1 3.92Å
494	E	93.1	Very high	92.3	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.079	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-79.7	-11.1	175.1	-61.1	-64	169.8	0	0	112.8	L444 R448 F451 L491 L492	L444-E494 HydrophobicContact CD2-CG 4.4Å; R448-E494 HydrophobicContact CB-CB 4.49Å; R448-E494 IonicContact CZ-OE1 2.67Å; R448-E494 IonicContact CZ-OE2 3.15Å; R448-E494 IonicContact NE-OE2 3.78Å; R448-E494 PolarHBondContact NE-OE2 3.08Å; R448-E494 IonicContact NH2-OE1 3.26Å; R448-E494 PolarHBondContact NH2-OE1 3.35Å; R448-E494 IonicContact NH2-OE2 3.08Å; R448-E494 PolarHBondContact NH2-OE2 3.36Å; F451-E494 HydrophobicContact CD2-CB 4.3Å; F451-E494 HydrophobicContact CE2-CB 4.44Å; L491-E494 WeakPolarHBondContact O-CB 3.46Å; L491-E494 PolarHBondContact O-N 3.1Å; L491-E494 VanDerWaalsContact O-N 3.1Å; L492-E494 PolarHBondContact O-N 3.26Å; L492-E494 VanDerWaalsContact O-N 3.09Å
495	C	94.6	Very high	92.6	Very high	4 Å²	4	29 Å²	29	3%	0.027	15%	0.154	C	C	.	.	S	Bend	trans	-84	121.8	179.9	-158.2	0	0	0	0	111	F451 L492 P493 V497 M498	F451-C495 HydrophobicContact CD2-CB 4.03Å; F451-C495 HydrophobicContact CE2-CB 4.32Å; F451-C495 HydrophobicContact CG-CB 4.35Å; L492-C495 VanDerWaalsContact O-CB 3.27Å; L492-C495 WeakPolarHBondContact O-CB 3.46Å; L492-C495 PolarHBondContact O-N 3.14Å; P493-C495 VanDerWaalsContact C-N 3.27Å; C495-V497 HydrophobicContact CB-CG2 4.38Å; C495-V497 PolarHBondContact O-N 2.68Å; C495-M498 HydrophobicContact CB-CG 4.32Å; C495-M498 WeakPolarHBondContact O-CB 3.27Å; C495-M498 PolarHBondContact O-N 2.66Å
496	P	94.4	Very high	92.8	Very high	42 Å²	42	30.1 Å²	30.1	27%	0.273	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-56.9	-28.7	-176.3	-29.2	37.1	0	0	0	114.8	T455 M498 H499	T455-P496 HydrophobicContact CG2-CB 4.24Å; T455-P496 HydrophobicContact CG2-CG 4.25Å; P496-M498 PolarHBondContact O-N 2.78Å; P496-H499 PolarHBondContact O-N 3.43Å
497	V	94.8	Very high	93	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22.5	179.1	-58.1	0	0	0	0	113.6	T455 T461 V464 L468 C495 H499 L500 N503 L507	T455-V497 HydrophobicContact CG2-CG1 3.96Å; T461-V497 HydrophobicContact CG2-CG1 3.62Å; V464-V497 HydrophobicContact CG1-CG2 4.43Å; L468-V497 HydrophobicContact CD1-CG2 3.59Å; C495-V497 HydrophobicContact CB-CG2 4.38Å; C495-V497 PolarHBondContact O-N 2.68Å; V497-H499 VanDerWaalsContact C-N 3.25Å; V497-H499 PolarHBondContact O-N 2.81Å; V497-L500 HydrophobicContact CB-CD1 4.5Å; V497-L500 HydrophobicContact CG1-CD1 4.49Å; V497-N503 WeakPolarHBondContact O-CB 2.96Å; V497-N503 PolarHBondContact O-ND2 3.3Å; V497-L507 HydrophobicContact CB-CD1 4.36Å; V497-L507 HydrophobicContact CG2-CD1 3.99Å
498	M	95.3	Very high	93.3	Very high	3 Å²	3	30 Å²	30	2%	0.015	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-71.6	-21.9	174.6	-63.9	-63.7	-68.7	0	0	112.5	L492 C495 P496 L507 V508 F511 M544	L492-M498 WeakPolarHBondContact O-CG 3.39Å; C495-M498 HydrophobicContact CB-CG 4.32Å; C495-M498 WeakPolarHBondContact O-CB 3.27Å; C495-M498 PolarHBondContact O-N 2.66Å; P496-M498 PolarHBondContact O-N 2.78Å; M498-L507 HydrophobicContact CE-CB 4.23Å; M498-L507 HydrophobicContact SD-CB 3.68Å; M498-L507 HydrophobicContact SD-CD1 3.93Å; M498-L507 HydrophobicContact SD-CG 4.38Å; M498-V508 HydrophobicContact CE-CG2 4.4Å; M498-V508 VanDerWaalsContact O-CG2 3.26Å; M498-V508 WeakPolarHBondContact O-CG2 3.46Å; M498-F511 HydrophobicContact CE-CB 3.99Å; M498-F511 HydrophobicContact CE-CD1 4.45Å; M498-F511 HydrophobicContact CE-CG 4.12Å; M498-M544 HydrophobicContact CB-SD 3.79Å; M498-M544 WeakPolarHBondContact O-CG 3.4Å
499	H	93.2	Very high	93.4	Very high	72 Å²	72	30.2 Å²	30.2	33%	0.333	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-97.2	-2.4	-177.5	-63.1	-92.2	0	0	0	113	P493 P496 V497	P493-H499 PolarHBondContact O-NE2 3.19Å; P496-H499 PolarHBondContact O-N 3.43Å; V497-H499 VanDerWaalsContact C-N 3.25Å; V497-H499 PolarHBondContact O-N 2.81Å
500	L	90.3	Very high	93.4	Very high	86 Å²	86	32.1 Å²	32.1	45%	0.45	18%	0.176	S	C	.	.			trans	-75.9	126.9	175.6	-64.2	177.7	0	0	0	109.1	V497 N502 N503	V497-L500 HydrophobicContact CB-CD1 4.5Å; V497-L500 HydrophobicContact CG1-CD1 4.49Å; L500-N502 PolarHBondContact O-N 3.45Å; L500-N503 HydrophobicContact CB-CB 4.45Å; L500-N503 PolarHBondContact O-N 3.16Å
501	S	84.2	Confident	93.6	Very high	60 Å²	60	32 Å²	32	42%	0.42	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-49.1	-48.1	-179.8	55.5	0	0	0	0	111.1	N503 W504	S501-N503 PolarHBondContact O-N 2.78Å; S501-W504 WeakPolarHBondContact O-CB 3.45Å; S501-W504 PolarHBondContact O-N 2.76Å
502	N	88.9	Confident	93.7	Very high	142 Å²	142	32 Å²	32	76%	0.759	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-66.4	-10	-175	-59.1	-3.3	0	0	0	115	L500	L500-N502 PolarHBondContact O-N 3.45Å
503	N	93.6	Very high	93.7	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.112	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-100.5	1.6	-178.9	-70.2	-16.5	0	0	0	113.3	V497 L500 S501 E505 S506 L507	V497-N503 WeakPolarHBondContact O-CB 2.96Å; V497-N503 PolarHBondContact O-ND2 3.3Å; L500-N503 HydrophobicContact CB-CB 4.45Å; L500-N503 PolarHBondContact O-N 3.16Å; S501-N503 PolarHBondContact O-N 2.78Å; N503-E505 VanDerWaalsContact C-N 3.35Å; N503-E505 PolarHBondContact O-N 2.66Å; N503-S506 PolarHBondContact O-N 3.12Å; N503-L507 HydrophobicContact CB-CB 4.47Å; N503-L507 HydrophobicContact CB-CD1 3.88Å; N503-L507 HydrophobicContact CB-CG 4.11Å; N503-L507 WeakPolarHBondContact O-CB 3.2Å; N503-L507 PolarHBondContact O-N 2.89Å
504	W	93.4	Very high	93.7	Very high	19 Å²	19	34.9 Å²	34.9	7%	0.072	19%	0.187	C	C	.	.	I	π-helix	trans	-54.3	-48.2	-175.2	75	-96.7	0	0	0	112.4	S501 V508 V509 A548 C551 Q552 Y555	S501-W504 WeakPolarHBondContact O-CB 3.45Å; S501-W504 PolarHBondContact O-N 2.76Å; W504-V508 WeakPolarHBondContact O-CA 3.49Å; W504-V508 WeakPolarHBondContact O-CB 3.46Å; W504-V508 PolarHBondContact O-N 2.91Å; W504-V509 HydrophobicContact CE3-CG2 3.75Å; W504-V509 HydrophobicContact CZ3-CG2 3.72Å; W504-V509 PolarHBondContact O-N 3.44Å; W504-A548 HydrophobicContact CB-CB 3.93Å; W504-C551 HydrophobicContact CD2-CB 3.83Å; W504-C551 HydrophobicContact CG-CB 3.68Å; W504-C551 HydrophobicContact CZ2-CB 4.48Å; W504-C551 VanDerWaalsContact NE1-CB 3.34Å; W504-Q552 HydrophobicContact CE3-CB 4.19Å; W504-Q552 HydrophobicContact CH2-CB 3.85Å; W504-Q552 HydrophobicContact CH2-CG 4.3Å; W504-Q552 VanDerWaalsContact CH2-OE1 3.24Å; W504-Q552 HydrophobicContact CZ3-CB 3.63Å; W504-Q552 HydrophobicContact CZ3-CG 4.15Å; W504-Y555 HydrophobicContact CZ2-CD2 4.05Å
505	E	93.2	Very high	93.7	Very high	114 Å²	114	34.1 Å²	34.1	53%	0.533	18%	0.184	S	C	.	.	I	π-helix	trans	-70.5	-42.9	-176.7	-170	-165.2	156.9	0	0	111.3	N503 P510	N503-E505 VanDerWaalsContact C-N 3.35Å; N503-E505 PolarHBondContact O-N 2.66Å; E505-P510 WeakPolarHBondContact O-CD 3.42Å
506	S	93.6	Very high	93.5	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	20%	0.198	C	C	.	.	I	π-helix	trans	-85.1	-21.6	-171.8	68.5	0	0	0	0	114.5	N503	N503-S506 PolarHBondContact O-N 3.12Å
507	L	96.2	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-121.5	-53.6	-177.7	-58.7	-173.6	0	0	0	113.3	T465 L468 K469 L473 V497 M498 N503 F511	T465-L507 HydrophobicContact CG2-CD1 4.28Å; L468-L507 HydrophobicContact CB-CD2 3.79Å; L468-L507 HydrophobicContact CD1-CD1 4.43Å; K469-L507 HydrophobicContact CB-CD2 3.9Å; L473-L507 HydrophobicContact CD1-CB 4.36Å; L473-L507 HydrophobicContact CD1-CD2 3.7Å; V497-L507 HydrophobicContact CB-CD1 4.36Å; V497-L507 HydrophobicContact CG2-CD1 3.99Å; M498-L507 HydrophobicContact CE-CB 4.23Å; M498-L507 HydrophobicContact SD-CB 3.68Å; M498-L507 HydrophobicContact SD-CD1 3.93Å; M498-L507 HydrophobicContact SD-CG 4.38Å; N503-L507 HydrophobicContact CB-CB 4.47Å; N503-L507 HydrophobicContact CB-CD1 3.88Å; N503-L507 HydrophobicContact CB-CG 4.11Å; N503-L507 WeakPolarHBondContact O-CB 3.2Å; N503-L507 PolarHBondContact O-N 2.89Å; L507-F511 VanDerWaalsContact O-CB 3.28Å; L507-F511 WeakPolarHBondContact O-CB 3.45Å; L507-F511 PolarHBondContact O-N 3.41Å; L507-F511 VanDerWaalsContact O-N 3.1Å
508	V	97	Very high	93.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.218	C	C	.	.	I	π-helix	trans	-71.9	-42.2	-171	-175.6	0	0	0	0	111.5	M498 W504 F511 A512 M544 F545 A548 L569	M498-V508 HydrophobicContact CE-CG2 4.4Å; M498-V508 VanDerWaalsContact O-CG2 3.26Å; M498-V508 WeakPolarHBondContact O-CG2 3.46Å; W504-V508 WeakPolarHBondContact O-CA 3.49Å; W504-V508 WeakPolarHBondContact O-CB 3.46Å; W504-V508 PolarHBondContact O-N 2.91Å; V508-F511 WeakPolarHBondContact O-CB 3.22Å; V508-F511 PolarHBondContact O-N 2.84Å; V508-A512 WeakPolarHBondContact O-CB 3.31Å; V508-A512 PolarHBondContact O-N 3.4Å; V508-M544 HydrophobicContact CG1-CE 4.34Å; V508-M544 HydrophobicContact CG1-CG 4.4Å; V508-M544 HydrophobicContact CG2-CG 4.15Å; V508-F545 HydrophobicContact CG1-CD1 3.65Å; V508-F545 HydrophobicContact CG1-CE1 3.7Å; V508-A548 HydrophobicContact CB-CB 4.22Å; V508-A548 HydrophobicContact CG1-CB 3.8Å; V508-L569 HydrophobicContact CG1-CD2 4.14Å
509	V	95.6	Very high	92.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-50.5	177.1	165.4	0	0	0	0	112.5	W504 F511 A512 K513 N565 L569	W504-V509 HydrophobicContact CE3-CG2 3.75Å; W504-V509 HydrophobicContact CZ3-CG2 3.72Å; W504-V509 PolarHBondContact O-N 3.44Å; V509-F511 VanDerWaalsContact C-N 3.27Å; V509-F511 PolarHBondContact O-N 3.15Å; V509-A512 WeakPolarHBondContact O-CB 3.36Å; V509-A512 PolarHBondContact O-N 2.69Å; V509-K513 HydrophobicContact CG1-CD 4.2Å; V509-K513 WeakPolarHBondContact O-CG 3.26Å; V509-K513 PolarHBondContact O-N 3.25Å; V509-N565 HydrophobicContact CG1-CB 3.78Å; V509-N565 WeakPolarHBondContact CG1-OD1 3.35Å; V509-N565 HydrophobicContact CG2-CB 4.32Å; V509-L569 HydrophobicContact CG2-CD1 3.86Å; V509-L569 HydrophobicContact CG2-CD2 4.05Å; V509-L569 HydrophobicContact CG2-CG 4.07Å
510	P	95.6	Very high	92.4	Very high	42 Å²	42	47 Å²	47	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-38.7	174.6	-26.8	33.5	0	0	0	112.7	L473 E505 K513 V514	L473-P510 HydrophobicContact CB-CB 4.42Å; L473-P510 HydrophobicContact CD1-CB 4.17Å; E505-P510 WeakPolarHBondContact O-CD 3.42Å; P510-K513 PolarHBondContact O-N 3.28Å; P510-V514 VanDerWaalsContact O-CG2 3.28Å; P510-V514 WeakPolarHBondContact O-CG2 2.95Å; P510-V514 PolarHBondContact O-N 2.88Å
511	F	96.4	Very high	92.2	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-48.8	174.1	178.6	-104	0	0	0	111.7	L473 L476 F489 L492 P493 M498 L507 V508 V509 K513 V514 V515 F545	L473-F511 HydrophobicContact CD2-CB 4.09Å; L476-F511 HydrophobicContact CD1-CD2 4.4Å; F489-F511 HydrophobicContact CB-CE2 4.42Å; F489-F511 HydrophobicContact CD1-CD2 4.3Å; F489-F511 AromaticContact CD1-CE2 3.58Å; F489-F511 HydrophobicContact CD1-CE2 3.58Å; F489-F511 HydrophobicContact CD1-CZ 4.21Å; F489-F511 HydrophobicContact CE1-CE2 4.33Å; F489-F511 HydrophobicContact CG-CE2 4.42Å; L492-F511 HydrophobicContact CB-CD2 4.39Å; L492-F511 HydrophobicContact CB-CE2 4.06Å; L492-F511 HydrophobicContact CD1-CD2 3.7Å; L492-F511 HydrophobicContact CD1-CE2 3.81Å; P493-F511 HydrophobicContact CG-CE1 4.39Å; P493-F511 HydrophobicContact CG-CZ 4.09Å; M498-F511 HydrophobicContact CE-CB 3.99Å; M498-F511 HydrophobicContact CE-CD1 4.45Å; M498-F511 HydrophobicContact CE-CG 4.12Å; L507-F511 VanDerWaalsContact O-CB 3.28Å; L507-F511 WeakPolarHBondContact O-CB 3.45Å; L507-F511 PolarHBondContact O-N 3.41Å; L507-F511 VanDerWaalsContact O-N 3.1Å; V508-F511 WeakPolarHBondContact O-CB 3.22Å; V508-F511 PolarHBondContact O-N 2.84Å; V509-F511 VanDerWaalsContact C-N 3.27Å; V509-F511 PolarHBondContact O-N 3.15Å; F511-K513 PolarHBondContact O-N 2.74Å; F511-V514 PolarHBondContact O-N 3.21Å; F511-V515 HydrophobicContact CE1-CG2 4.26Å; F511-V515 HydrophobicContact CE2-CG2 4.31Å; F511-V515 HydrophobicContact CZ-CG2 4.1Å; F511-V515 WeakPolarHBondContact O-CG2 3.46Å; F511-V515 PolarHBondContact O-N 2.93Å; F511-F545 HydrophobicContact CD1-CE1 4.22Å; F511-F545 AromaticContact CD1-CZ 3.77Å; F511-F545 HydrophobicContact CD1-CZ 3.77Å; F511-F545 AromaticContact CE1-CZ 3.78Å; F511-F545 HydrophobicContact CE1-CZ 3.78Å
512	A	96.1	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-47.2	175.9	0	0	0	0	0	112.2	V508 V509 V514 V515 C516 F545 A568 L569 M572	V508-A512 WeakPolarHBondContact O-CB 3.31Å; V508-A512 PolarHBondContact O-N 3.4Å; V509-A512 WeakPolarHBondContact O-CB 3.36Å; V509-A512 PolarHBondContact O-N 2.69Å; A512-V514 VanDerWaalsContact C-N 3.27Å; A512-V514 PolarHBondContact O-N 3.31Å; A512-V515 PolarHBondContact O-N 3.47Å; A512-C516 WeakPolarHBondContact O-CB 3.39Å; A512-C516 PolarHBondContact O-N 2.68Å; A512-C516 PolarHBondContact O-SG 2.75Å; A512-F545 HydrophobicContact CB-CE1 4.03Å; A512-A568 HydrophobicContact CB-CB 4.1Å; A512-L569 HydrophobicContact CB-CD2 4.07Å; A512-M572 HydrophobicContact CB-CB 4.5Å; A512-M572 HydrophobicContact CB-CG 3.53Å
513	K	94.1	Very high	92.4	Very high	61 Å²	61	38 Å²	38	27%	0.265	21%	0.207	S	C	.	.	H	α-helix	trans	-58.9	-37.8	177.9	-79.3	-179.4	166.8	176.5	0	112.2	V509 P510 F511 K517 N565 A568	V509-K513 HydrophobicContact CG1-CD 4.2Å; V509-K513 WeakPolarHBondContact O-CG 3.26Å; V509-K513 PolarHBondContact O-N 3.25Å; P510-K513 PolarHBondContact O-N 3.28Å; F511-K513 PolarHBondContact O-N 2.74Å; K513-K517 VanDerWaalsContact O-CG 3.29Å; K513-K517 WeakPolarHBondContact O-CG 3.48Å; K513-K517 PolarHBondContact O-N 2.85Å; K513-N565 WeakPolarHBondContact CE-OD1 3.49Å; K513-N565 PolarHBondContact NZ-OD1 3.32Å; K513-A568 HydrophobicContact CB-CB 4.43Å; K513-A568 HydrophobicContact CG-CB 3.64Å
514	V	93.4	Very high	92.2	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-71.1	-45.5	178	171.2	0	0	0	0	111.1	L476 F478 F489 P510 F511 A512 C516 K517	L476-V514 HydrophobicContact CB-CG1 3.86Å; L476-V514 HydrophobicContact CD1-CB 4.27Å; L476-V514 HydrophobicContact CD1-CG1 3.97Å; L476-V514 HydrophobicContact CD1-CG2 4.34Å; F478-V514 HydrophobicContact CB-CG1 3.65Å; F478-V514 HydrophobicContact CD1-CG1 3.62Å; F478-V514 HydrophobicContact CG-CG1 3.82Å; F489-V514 HydrophobicContact CE1-CG1 3.65Å; F489-V514 HydrophobicContact CZ-CG1 3.7Å; P510-V514 VanDerWaalsContact O-CG2 3.28Å; P510-V514 WeakPolarHBondContact O-CG2 2.95Å; P510-V514 PolarHBondContact O-N 2.88Å; F511-V514 PolarHBondContact O-N 3.21Å; A512-V514 VanDerWaalsContact C-N 3.27Å; A512-V514 PolarHBondContact O-N 3.31Å; V514-C516 VanDerWaalsContact C-N 3.3Å; V514-C516 PolarHBondContact O-N 3.27Å; V514-K517 PolarHBondContact O-N 2.94Å; V514-K517 VanDerWaalsContact O-N 3.08Å
515	V	93.1	Very high	91.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-38	178.6	176.4	0	0	0	0	111.3	F489 F511 A512 K517 M518 L526 W530 M572	F489-V515 HydrophobicContact CD1-CG2 3.74Å; F489-V515 HydrophobicContact CE1-CG2 3.93Å; F511-V515 HydrophobicContact CE1-CG2 4.26Å; F511-V515 HydrophobicContact CE2-CG2 4.31Å; F511-V515 HydrophobicContact CZ-CG2 4.1Å; F511-V515 WeakPolarHBondContact O-CG2 3.46Å; F511-V515 PolarHBondContact O-N 2.93Å; A512-V515 PolarHBondContact O-N 3.47Å; V515-K517 PolarHBondContact O-N 3.07Å; V515-M518 HydrophobicContact CG1-SD 4.31Å; V515-M518 HydrophobicContact CG2-CE 4.22Å; V515-M518 WeakPolarHBondContact O-CB 3.48Å; V515-M518 WeakPolarHBondContact O-CG 3.38Å; V515-M518 PolarHBondContact O-N 3.28Å; V515-L526 HydrophobicContact CG1-CD1 3.8Å; V515-L526 HydrophobicContact CG2-CD1 4.28Å; V515-W530 HydrophobicContact CG1-CH2 4.23Å; V515-M572 HydrophobicContact CB-CE 4.18Å; V515-M572 HydrophobicContact CB-SD 3.54Å; V515-M572 VanDerWaalsContact CB-SD 3.54Å; V515-M572 HydrophobicContact CG1-CE 3.83Å; V515-M572 HydrophobicContact CG1-SD 3.37Å; V515-M572 WeakPolarHBondContact CG1-SD 3.48Å; V515-M572 HydrophobicContact CG2-CE 4.48Å; V515-M572 HydrophobicContact CG2-SD 4.39Å
516	C	91.1	Very high	91.7	Very high	50 Å²	50	36.6 Å²	36.6	34%	0.338	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.3	175.8	-66.2	0	0	0	0	114.1	A512 V514	A512-C516 WeakPolarHBondContact O-CB 3.39Å; A512-C516 PolarHBondContact O-N 2.68Å; A512-C516 PolarHBondContact O-SG 2.75Å; V514-C516 VanDerWaalsContact C-N 3.3Å; V514-C516 PolarHBondContact O-N 3.27Å
517	K	90.8	Very high	91.6	Very high	136 Å²	136	35.9 Å²	35.9	59%	0.591	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.1	177.3	-70.9	173.2	-176.8	-176.1	0	113.7	F478 K513 V514 V515	F478-K517 HydrophobicContact CD2-CB 3.91Å; F478-K517 HydrophobicContact CE2-CB 3.93Å; F478-K517 HydrophobicContact CE2-CD 4.38Å; K513-K517 VanDerWaalsContact O-CG 3.29Å; K513-K517 WeakPolarHBondContact O-CG 3.48Å; K513-K517 PolarHBondContact O-N 2.85Å; V514-K517 PolarHBondContact O-N 2.94Å; V514-K517 VanDerWaalsContact O-N 3.08Å; V515-K517 PolarHBondContact O-N 3.07Å
518	M	89.7	Confident	91.3	Very high	18 Å²	18	42 Å²	42	9%	0.089	23%	0.228	C	C	.	.	S	Bend	trans	-66.5	153.5	178.1	-70.8	-176.6	175.1	0	0	111.8	F478 L486 F489 V515 L526	F478-M518 HydrophobicContact CB-CE 4.25Å; F478-M518 HydrophobicContact CB-CG 3.89Å; L486-M518 HydrophobicContact CD2-CE 4.47Å; F489-M518 HydrophobicContact CD1-CE 3.46Å; F489-M518 VanDerWaalsContact CD1-CE 3.46Å; F489-M518 HydrophobicContact CD2-CE 3.59Å; F489-M518 HydrophobicContact CE1-CE 3.13Å; F489-M518 HydrophobicContact CE2-CE 3.26Å; F489-M518 HydrophobicContact CG-CE 3.69Å; F489-M518 HydrophobicContact CZ-CE 3.02Å; V515-M518 HydrophobicContact CG1-SD 4.31Å; V515-M518 HydrophobicContact CG2-CE 4.22Å; V515-M518 WeakPolarHBondContact O-CB 3.48Å; V515-M518 WeakPolarHBondContact O-CG 3.38Å; V515-M518 PolarHBondContact O-N 3.28Å; M518-L526 HydrophobicContact CE-CD1 3.87Å; M518-L526 HydrophobicContact SD-CD1 3.45Å; M518-L526 WeakPolarHBondContact SD-CD1 3.48Å; M518-L526 HydrophobicContact SD-CG 4.25Å
519	S	87.8	Confident	90.8	Very high	59 Å²	59	42.5 Å²	42.5	41%	0.413	23%	0.23	S	C	.	.			trans	-69	157.3	167.9	61.3	0	0	0	0	111.2	S522 S523	S519-S522 PolarHBondContact O-N 3.39Å; S519-S522 VanDerWaalsContact O-N 3.12Å; S519-S522 PolarHBondContact OG-OG 3.07Å; S519-S523 PolarHBondContact O-N 3.37Å
520	D	86.7	Confident	90.6	Very high	131 Å²	131	42.6 Å²	42.6	70%	0.701	23%	0.229	S	C	*	.	H	α-helix	trans	-53.8	-44.2	179.3	-62.1	-32.9	0	0	0	113.3	S522 S523 L524	D520-S522 PolarHBondContact O-N 2.7Å; D520-S523 PolarHBondContact O-N 2.87Å; D520-L524 WeakPolarHBondContact O-CG 3.5Å; D520-L524 PolarHBondContact O-N 2.94Å
521	P	86.9	Confident	90.3	Very high	88 Å²	88	41.4 Å²	41.4	57%	0.571	22%	0.223	S	C	*	.	H	α-helix	trans	-60.8	-42.2	176.8	-24	35.5	0	0	0	113.3	L524 V525	P521-L524 PolarHBondContact O-N 3.4Å; P521-V525 WeakPolarHBondContact O-CG2 3.37Å; P521-V525 PolarHBondContact O-N 2.8Å
522	S	87.6	Confident	89.9	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.049	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-36.4	178.6	-61.4	0	0	0	0	111.8	S519 D520 V525 L526	S519-S522 PolarHBondContact O-N 3.39Å; S519-S522 VanDerWaalsContact O-N 3.12Å; S519-S522 PolarHBondContact OG-OG 3.07Å; D520-S522 PolarHBondContact O-N 2.7Å; S522-V525 PolarHBondContact O-N 3.25Å; S522-L526 PolarHBondContact O-N 3.11Å
523	S	89.2	Confident	89.5	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-41.4	173.3	-170.6	0	0	0	0	111.7	S519 D520 V525 L526 E527 K575	S519-S523 PolarHBondContact O-N 3.37Å; D520-S523 PolarHBondContact O-N 2.87Å; S523-V525 VanDerWaalsContact C-N 3.33Å; S523-V525 PolarHBondContact O-N 3.2Å; S523-L526 WeakPolarHBondContact O-CB 3.33Å; S523-L526 PolarHBondContact O-N 3.06Å; S523-L526 VanDerWaalsContact O-N 3.15Å; S523-E527 WeakPolarHBondContact O-CG 3.34Å; S523-E527 PolarHBondContact O-N 3.39Å; S523-E527 PolarHBondContact OG-OE1 2.99Å; S523-K575 PolarHBondContact OG-NZ 3.48Å
524	L	88.6	Confident	89.2	Confident	89 Å²	89	50.3 Å²	50.3	47%	0.466	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.9	-74.2	170.3	0	0	0	111.8	D520 P521 L526 E527 E528	D520-L524 WeakPolarHBondContact O-CG 3.5Å; D520-L524 PolarHBondContact O-N 2.94Å; P521-L524 PolarHBondContact O-N 3.4Å; L524-L526 VanDerWaalsContact C-N 3.29Å; L524-L526 PolarHBondContact O-N 2.95Å; L524-E527 PolarHBondContact O-N 2.93Å; L524-E528 WeakPolarHBondContact O-CB 3.43Å; L524-E528 WeakPolarHBondContact O-CG 3.5Å; L524-E528 PolarHBondContact O-N 3.36Å
525	V	87.9	Confident	89.1	Confident	34 Å²	34	55.3 Å²	55.3	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-39.8	175.2	173	0	0	0	0	111.7	Q483 L486 F490 P521 S522 S523 Y529	Q483-V525 HydrophobicContact CG-CG1 4.15Å; L486-V525 HydrophobicContact CD1-CB 4.34Å; L486-V525 HydrophobicContact CD1-CG1 4.36Å; F490-V525 HydrophobicContact CZ-CG1 4.24Å; P521-V525 WeakPolarHBondContact O-CG2 3.37Å; P521-V525 PolarHBondContact O-N 2.8Å; S522-V525 PolarHBondContact O-N 3.25Å; S523-V525 VanDerWaalsContact C-N 3.33Å; S523-V525 PolarHBondContact O-N 3.2Å; V525-Y529 PolarHBondContact O-N 2.98Å; V525-Y529 VanDerWaalsContact O-N 3.11Å
526	L	89.5	Confident	88.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-43.3	175.3	-64.1	-174.3	0	0	0	112.3	F489 F490 V515 M518 S522 S523 L524 Y529 W530	F489-L526 HydrophobicContact CB-CD2 3.74Å; F489-L526 HydrophobicContact CG-CD2 4.46Å; F490-L526 HydrophobicContact CD1-CD2 3.94Å; F490-L526 HydrophobicContact CE1-CD2 3.29Å; F490-L526 HydrophobicContact CZ-CD2 4Å; V515-L526 HydrophobicContact CG1-CD1 3.8Å; V515-L526 HydrophobicContact CG2-CD1 4.28Å; M518-L526 HydrophobicContact CE-CD1 3.87Å; M518-L526 HydrophobicContact SD-CD1 3.45Å; M518-L526 WeakPolarHBondContact SD-CD1 3.48Å; M518-L526 HydrophobicContact SD-CG 4.25Å; S522-L526 PolarHBondContact O-N 3.11Å; S523-L526 WeakPolarHBondContact O-CB 3.33Å; S523-L526 PolarHBondContact O-N 3.06Å; S523-L526 VanDerWaalsContact O-N 3.15Å; L524-L526 VanDerWaalsContact C-N 3.29Å; L524-L526 PolarHBondContact O-N 2.95Å; L526-Y529 WeakPolarHBondContact O-CB 2.91Å; L526-Y529 PolarHBondContact O-N 3.33Å; L526-W530 HydrophobicContact CB-CH2 4.02Å; L526-W530 HydrophobicContact CB-CZ2 3.98Å; L526-W530 HydrophobicContact CB-CZ3 4.33Å; L526-W530 HydrophobicContact CD1-CH2 4.21Å; L526-W530 HydrophobicContact CD1-CZ2 4.14Å; L526-W530 VanDerWaalsContact O-CD2 3.32Å; L526-W530 VanDerWaalsContact O-CG 3.24Å; L526-W530 PolarHBondContact O-N 3.34Å
527	E	90.9	Very high	88.8	Confident	11 Å²	11	56.9 Å²	56.9	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-41.3	179.9	-72.8	175.4	-144	0	0	111.4	S523 L524 W530 A531 K575 V579	S523-E527 WeakPolarHBondContact O-CG 3.34Å; S523-E527 PolarHBondContact O-N 3.39Å; S523-E527 PolarHBondContact OG-OE1 2.99Å; L524-E527 PolarHBondContact O-N 2.93Å; E527-W530 HydrophobicContact CG-CE3 4.12Å; E527-W530 HydrophobicContact CG-CZ3 4.05Å; E527-W530 PolarHBondContact O-N 2.99Å; E527-A531 WeakPolarHBondContact O-CB 3.47Å; E527-A531 PolarHBondContact O-N 2.98Å; E527-K575 IonicContact OE1-NZ 2.76Å; E527-V579 HydrophobicContact CB-CG2 3.7Å; E527-V579 HydrophobicContact CG-CG2 3.82Å
528	E	88.9	Confident	88.9	Confident	129 Å²	129	50.4 Å²	50.4	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-44.3	172.2	-75.8	-179.8	179.6	0	0	111.6	L524 A531 T532	L524-E528 WeakPolarHBondContact O-CB 3.43Å; L524-E528 WeakPolarHBondContact O-CG 3.5Å; L524-E528 PolarHBondContact O-N 3.36Å; E528-A531 WeakPolarHBondContact O-CB 3.47Å; E528-A531 PolarHBondContact O-N 3.45Å; E528-T532 WeakPolarHBondContact O-CG2 3.37Å; E528-T532 PolarHBondContact O-N 3.24Å
529	Y	87.6	Confident	89.1	Confident	12 Å²	12	51 Å²	51	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-49.1	174.7	163.8	-108.7	0	0	0	112	V440 L444 F490 V525 L526 A531 T532 L533	V440-Y529 HydrophobicContact CG2-CD2 3.55Å; V440-Y529 HydrophobicContact CG2-CE2 4.15Å; V440-Y529 HydrophobicContact CG2-CG 4.31Å; L444-Y529 HydrophobicContact CD1-CE2 3.47Å; L444-Y529 VanDerWaalsContact CD1-CE2 3.47Å; L444-Y529 WeakPolarHBondContact CD1-OH 3.4Å; F490-Y529 HydrophobicContact CB-CD1 4.47Å; F490-Y529 HydrophobicContact CB-CE1 3.9Å; F490-Y529 HydrophobicContact CB-CE2 4.44Å; F490-Y529 AromaticContact CD1-CD1 3.07Å; F490-Y529 HydrophobicContact CD1-CD1 3.07Å; F490-Y529 HydrophobicContact CD1-CD2 4.22Å; F490-Y529 AromaticContact CD1-CE1 3.32Å; F490-Y529 HydrophobicContact CD1-CE1 3.32Å; F490-Y529 HydrophobicContact CD1-CE2 4.41Å; F490-Y529 AromaticContact CD1-CG 3.52Å; F490-Y529 HydrophobicContact CD1-CG 3.52Å; F490-Y529 AromaticContact CD1-CZ 3.98Å; F490-Y529 VanDerWaalsContact CE1-CB 3.42Å; F490-Y529 AromaticContact CE1-CD1 3.26Å; F490-Y529 HydrophobicContact CE1-CD1 3.26Å; F490-Y529 HydrophobicContact CE1-CD2 4.28Å; F490-Y529 HydrophobicContact CE1-CE1 4.02Å; F490-Y529 AromaticContact CE1-CG 3.37Å; F490-Y529 HydrophobicContact CE1-CG 3.37Å; F490-Y529 HydrophobicContact CE2-CG 4.48Å; F490-Y529 AromaticContact CG-CD1 3.9Å; F490-Y529 HydrophobicContact CG-CD1 3.9Å; F490-Y529 HydrophobicContact CG-CD2 4.38Å; F490-Y529 AromaticContact CG-CE1 3.83Å; F490-Y529 HydrophobicContact CG-CE1 3.83Å; F490-Y529 HydrophobicContact CG-CE2 4.32Å; F490-Y529 HydrophobicContact CG-CG 4.12Å; F490-Y529 HydrophobicContact CZ-CD1 4.24Å; F490-Y529 AromaticContact CZ-CG 3.9Å; F490-Y529 HydrophobicContact CZ-CG 3.9Å; V525-Y529 PolarHBondContact O-N 2.98Å; V525-Y529 VanDerWaalsContact O-N 3.11Å; L526-Y529 WeakPolarHBondContact O-CB 2.91Å; L526-Y529 PolarHBondContact O-N 3.33Å; Y529-A531 PolarHBondContact O-N 3.33Å; Y529-T532 WeakPolarHBondContact O-CA 3.43Å; Y529-T532 PolarHBondContact O-N 3.03Å; Y529-T532 PolarHBondContact O-OG1 2.87Å; Y529-L533 HydrophobicContact CE1-CD1 4.19Å; Y529-L533 HydrophobicContact CE1-CD2 4.16Å; Y529-L533 HydrophobicContact CE1-CG 4.34Å; Y529-L533 HydrophobicContact CE2-CD2 3.84Å; Y529-L533 HydrophobicContact CE2-CG 4.48Å; Y529-L533 PolarHBondContact O-N 3.47Å
530	W	90.9	Very high	89.4	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-36	178.5	-64.3	-28.2	0	0	0	111.7	V515 L526 E527 T532 L533 F538 L541 M572 K575 L576 V579	V515-W530 HydrophobicContact CG1-CH2 4.23Å; L526-W530 HydrophobicContact CB-CH2 4.02Å; L526-W530 HydrophobicContact CB-CZ2 3.98Å; L526-W530 HydrophobicContact CB-CZ3 4.33Å; L526-W530 HydrophobicContact CD1-CH2 4.21Å; L526-W530 HydrophobicContact CD1-CZ2 4.14Å; L526-W530 VanDerWaalsContact O-CD2 3.32Å; L526-W530 VanDerWaalsContact O-CG 3.24Å; L526-W530 PolarHBondContact O-N 3.34Å; E527-W530 HydrophobicContact CG-CE3 4.12Å; E527-W530 HydrophobicContact CG-CZ3 4.05Å; E527-W530 PolarHBondContact O-N 2.99Å; W530-T532 PolarHBondContact O-N 3.4Å; W530-L533 WeakPolarHBondContact O-CB 3.4Å; W530-L533 PolarHBondContact O-N 3.43Å; W530-L533 VanDerWaalsContact O-N 3.15Å; W530-F538 HydrophobicContact CB-CD2 4.36Å; W530-F538 HydrophobicContact CB-CE2 4.05Å; W530-L541 HydrophobicContact CD2-CD2 4.36Å; W530-L541 HydrophobicContact CG-CD2 4.07Å; W530-M572 HydrophobicContact CH2-CE 3.66Å; W530-M572 HydrophobicContact CZ2-CE 4.07Å; W530-K575 HydrophobicContact CZ3-CB 4.15Å; W530-L576 HydrophobicContact CD2-CD2 3.73Å; W530-L576 HydrophobicContact CE3-CD2 3.66Å; W530-L576 HydrophobicContact CG-CD2 4.17Å; W530-L576 HydrophobicContact CZ3-CD2 4.12Å; W530-V579 HydrophobicContact CB-CG1 4.07Å; W530-V579 HydrophobicContact CE3-CG2 4.28Å
531	A	90.1	Very high	89.7	Confident	18 Å²	18	47.9 Å²	47.9	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-16.4	173.7	0	0	0	0	0	114	E527 E528 Y529 V579 K583 Q585	E527-A531 WeakPolarHBondContact O-CB 3.47Å; E527-A531 PolarHBondContact O-N 2.98Å; E528-A531 WeakPolarHBondContact O-CB 3.47Å; E528-A531 PolarHBondContact O-N 3.45Å; Y529-A531 PolarHBondContact O-N 3.33Å; A531-V579 HydrophobicContact CB-CG1 3.94Å; A531-K583 HydrophobicContact CB-CG 4.01Å; A531-Q585 PolarHBondContact O-NE2 3.35Å
532	T	87.8	Confident	90.2	Very high	89 Å²	89	43.7 Å²	43.7	55%	0.546	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.1	175.3	67.3	0	0	0	0	114	E528 Y529 W530	E528-T532 WeakPolarHBondContact O-CG2 3.37Å; E528-T532 PolarHBondContact O-N 3.24Å; Y529-T532 WeakPolarHBondContact O-CA 3.43Å; Y529-T532 PolarHBondContact O-N 3.03Å; Y529-T532 PolarHBondContact O-OG1 2.87Å; W530-T532 PolarHBondContact O-N 3.4Å
533	L	86.8	Confident	90.5	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.105	24%	0.243	C	C	.	.	S	Bend	trans	-67.6	148.9	-179.3	-71.4	178.5	0	0	0	111.9	Y529 W530 T537 F538 L541	Y529-L533 HydrophobicContact CE1-CD1 4.19Å; Y529-L533 HydrophobicContact CE1-CD2 4.16Å; Y529-L533 HydrophobicContact CE1-CG 4.34Å; Y529-L533 HydrophobicContact CE2-CD2 3.84Å; Y529-L533 HydrophobicContact CE2-CG 4.48Å; Y529-L533 PolarHBondContact O-N 3.47Å; W530-L533 WeakPolarHBondContact O-CB 3.4Å; W530-L533 PolarHBondContact O-N 3.43Å; W530-L533 VanDerWaalsContact O-N 3.15Å; L533-T537 HydrophobicContact CD1-CG2 4.29Å; L533-T537 HydrophobicContact CD2-CG2 3.94Å; L533-F538 HydrophobicContact CB-CB 4.06Å; L533-F538 HydrophobicContact CD1-CD2 4.32Å; L533-L541 HydrophobicContact CD1-CD2 4.31Å
534	Q	88.4	Confident	90.8	Very high	139 Å²	139	47 Å²	47	65%	0.65	24%	0.244	S	C	*	.			trans	-66.3	146.7	168.2	-68.4	-177.2	-17.2	0	0	110.2	S536 T537 F538	Q534-S536 VanDerWaalsContact C-N 3.25Å; Q534-S536 PolarHBondContact O-N 3.21Å; Q534-S536 VanDerWaalsContact O-N 3.12Å; Q534-T537 PolarHBondContact O-N 3.44Å; Q534-F538 PolarHBondContact O-N 3.11Å
535	E	90.4	Very high	91.2	Very high	123 Å²	123	42.8 Å²	42.8	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-46.9	-46.4	-179	-170.3	-171.2	154.2	0	0	112.7	T537 F538 S539 L586	E535-T537 PolarHBondContact O-N 2.91Å; E535-F538 PolarHBondContact O-N 3.25Å; E535-S539 WeakPolarHBondContact O-CB 3.17Å; E535-S539 PolarHBondContact O-N 2.68Å; E535-L586 HydrophobicContact CG-CD2 3.37Å; E535-L586 HydrophobicContact CG-CG 4.42Å
536	S	89.9	Confident	91.5	Very high	68 Å²	68	42.3 Å²	42.3	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-31.8	179.9	71.5	0	0	0	0	114.3	Q534 K540	Q534-S536 VanDerWaalsContact C-N 3.25Å; Q534-S536 PolarHBondContact O-N 3.21Å; Q534-S536 VanDerWaalsContact O-N 3.12Å; S536-K540 WeakPolarHBondContact O-CG 3.5Å; S536-K540 PolarHBondContact O-N 3.44Å
537	T	88.9	Confident	91.8	Very high	15 Å²	15	45 Å²	45	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-79.2	-42.5	177.3	-61.3	0	0	0	0	110.6	R448 L533 Q534 E535 S539 K540 L541	R448-T537 PolarHBondContact NH2-OG1 2.84Å; L533-T537 HydrophobicContact CD1-CG2 4.29Å; L533-T537 HydrophobicContact CD2-CG2 3.94Å; Q534-T537 PolarHBondContact O-N 3.44Å; E535-T537 PolarHBondContact O-N 2.91Å; T537-S539 VanDerWaalsContact C-N 3.33Å; T537-S539 PolarHBondContact O-N 3.21Å; T537-K540 PolarHBondContact O-N 3.35Å; T537-L541 PolarHBondContact O-N 3.03Å; T537-L541 VanDerWaalsContact O-N 3.08Å
538	F	92.9	Very high	92	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-41.7	175.8	-171.7	-117.5	0	0	0	111.2	W530 L533 Q534 E535 K540 L541 V542 L576 V579 N580 Q585 L586 F591	W530-F538 HydrophobicContact CB-CD2 4.36Å; W530-F538 HydrophobicContact CB-CE2 4.05Å; L533-F538 HydrophobicContact CB-CB 4.06Å; L533-F538 HydrophobicContact CD1-CD2 4.32Å; Q534-F538 PolarHBondContact O-N 3.11Å; E535-F538 PolarHBondContact O-N 3.25Å; F538-K540 PolarHBondContact O-N 2.96Å; F538-L541 WeakPolarHBondContact O-CB 3.41Å; F538-L541 PolarHBondContact O-N 2.9Å; F538-L541 VanDerWaalsContact O-N 3.13Å; F538-V542 HydrophobicContact CE1-CG2 4.36Å; F538-V542 HydrophobicContact CZ-CG2 4.42Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 2.82Å; F538-L576 HydrophobicContact CE2-CD2 3.79Å; F538-L576 HydrophobicContact CZ-CB 4.37Å; F538-L576 HydrophobicContact CZ-CD2 4.42Å; F538-L576 WeakPolarHBondContact CZ-O 3.43Å; F538-V579 HydrophobicContact CE2-CG1 4.15Å; F538-V579 HydrophobicContact CZ-CB 4.39Å; F538-V579 HydrophobicContact CZ-CG1 4.12Å; F538-N580 HydrophobicContact CE1-CB 4.01Å; F538-N580 HydrophobicContact CZ-CB 4.34Å; F538-Q585 HydrophobicContact CD1-CB 4.48Å; F538-L586 HydrophobicContact CD1-CD1 3.29Å; F538-L586 HydrophobicContact CD1-CG 3.9Å; F538-L586 HydrophobicContact CE1-CD1 3.72Å; F538-L586 HydrophobicContact CE1-CG 4.38Å; F538-L586 HydrophobicContact CG-CD1 4.3Å; F538-F591 HydrophobicContact CE1-CZ 4.35Å
539	S	93.7	Very high	92.2	Very high	31 Å²	31	38.6 Å²	38.6	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-46.6	172.6	178.4	0	0	0	0	112.3	E535 T537 L541 V542 Q543 I590	E535-S539 WeakPolarHBondContact O-CB 3.17Å; E535-S539 PolarHBondContact O-N 2.68Å; T537-S539 VanDerWaalsContact C-N 3.33Å; T537-S539 PolarHBondContact O-N 3.21Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.07Å; S539-V542 PolarHBondContact O-N 2.95Å; S539-Q543 WeakPolarHBondContact O-CG 3.33Å; S539-Q543 PolarHBondContact O-N 3.18Å; S539-I590 VanDerWaalsContact OG-CD1 3.31Å; S539-I590 WeakPolarHBondContact OG-CD1 3.48Å
540	K	92.9	Very high	92.5	Very high	119 Å²	119	38.9 Å²	38.9	52%	0.517	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-38.2	175.7	-74.7	171	-176.5	173.3	0	112.9	S536 T537 F538 Q543 M544	S536-K540 WeakPolarHBondContact O-CG 3.5Å; S536-K540 PolarHBondContact O-N 3.44Å; T537-K540 PolarHBondContact O-N 3.35Å; F538-K540 PolarHBondContact O-N 2.96Å; K540-Q543 PolarHBondContact O-N 3.31Å; K540-M544 WeakPolarHBondContact O-CB 3.42Å; K540-M544 PolarHBondContact O-N 3.09Å
541	L	94.7	Very high	92.5	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-44.9	176.5	-178.7	64.1	0	0	0	111.4	P493 W530 L533 T537 F538 S539 M544 F545 L576	P493-L541 HydrophobicContact CB-CD1 3.8Å; P493-L541 HydrophobicContact CG-CD1 3.92Å; W530-L541 HydrophobicContact CD2-CD2 4.36Å; W530-L541 HydrophobicContact CG-CD2 4.07Å; L533-L541 HydrophobicContact CD1-CD2 4.31Å; T537-L541 PolarHBondContact O-N 3.03Å; T537-L541 VanDerWaalsContact O-N 3.08Å; F538-L541 WeakPolarHBondContact O-CB 3.41Å; F538-L541 PolarHBondContact O-N 2.9Å; F538-L541 VanDerWaalsContact O-N 3.13Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.07Å; L541-M544 HydrophobicContact CD1-CE 3.82Å; L541-M544 WeakPolarHBondContact O-CB 3.45Å; L541-M544 PolarHBondContact O-N 3.21Å; L541-F545 HydrophobicContact CD1-CD2 4.39Å; L541-F545 HydrophobicContact CD1-CE2 3.8Å; L541-F545 HydrophobicContact CG-CE2 4.33Å; L541-F545 VanDerWaalsContact O-CD2 3.3Å; L541-F545 WeakPolarHBondContact O-CD2 3.5Å; L541-F545 PolarHBondContact O-N 3.45Å; L541-L576 HydrophobicContact CD2-CD1 4.48Å; L541-L576 HydrophobicContact CD2-CD2 3.59Å; L541-L576 HydrophobicContact CG-CD1 4.11Å; L541-L576 HydrophobicContact CG-CD2 4.12Å
542	V	95.8	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-46.3	175	175.9	0	0	0	0	110.6	F538 S539 M544 F545 K546 L573 L576 L586 F591	F538-V542 HydrophobicContact CE1-CG2 4.36Å; F538-V542 HydrophobicContact CZ-CG2 4.42Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 2.82Å; S539-V542 PolarHBondContact O-N 2.95Å; V542-M544 VanDerWaalsContact C-N 3.34Å; V542-M544 PolarHBondContact O-N 3.43Å; V542-F545 PolarHBondContact O-N 3.08Å; V542-K546 HydrophobicContact CG1-CD 3.97Å; V542-K546 HydrophobicContact CG1-CG 4.24Å; V542-K546 WeakPolarHBondContact O-CG 3.45Å; V542-K546 PolarHBondContact O-N 3.5Å; V542-L573 HydrophobicContact CG1-CD2 4.33Å; V542-L576 HydrophobicContact CG2-CB 4.36Å; V542-L576 HydrophobicContact CG2-CD1 4.22Å; V542-L586 HydrophobicContact CG2-CD1 4.42Å; V542-F591 HydrophobicContact CB-CE1 4.45Å; V542-F591 HydrophobicContact CG1-CD1 3.86Å; V542-F591 HydrophobicContact CG1-CE1 3.84Å; V542-F591 HydrophobicContact CG1-CG 4.42Å; V542-F591 HydrophobicContact CG1-CZ 4.36Å; V542-F591 HydrophobicContact CG2-CE1 3.68Å; V542-F591 HydrophobicContact CG2-CZ 3.77Å
543	Q	95	Very high	92.6	Very high	71 Å²	71	35.6 Å²	35.6	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-39.1	179	-67.9	-56.6	-31.7	0	0	112.8	S539 K540 F545 K546 T547	S539-Q543 WeakPolarHBondContact O-CG 3.33Å; S539-Q543 PolarHBondContact O-N 3.18Å; K540-Q543 PolarHBondContact O-N 3.31Å; Q543-F545 VanDerWaalsContact C-N 3.3Å; Q543-F545 PolarHBondContact O-N 3.42Å; Q543-K546 PolarHBondContact O-N 3.49Å; Q543-T547 WeakPolarHBondContact O-CB 3.22Å; Q543-T547 PolarHBondContact O-N 3.26Å; Q543-T547 PolarHBondContact O-OG1 2.95Å; Q543-T547 VanDerWaalsContact O-OG1 3.08Å
544	M	95.8	Very high	92.6	Very high	8 Å²	8	39 Å²	39	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-53.7	-46.4	175.8	-175.1	-172.9	74.9	0	0	111.9	M498 V508 K540 L541 V542 A548	M498-M544 HydrophobicContact CB-SD 3.79Å; M498-M544 WeakPolarHBondContact O-CG 3.4Å; V508-M544 HydrophobicContact CG1-CE 4.34Å; V508-M544 HydrophobicContact CG1-CG 4.4Å; V508-M544 HydrophobicContact CG2-CG 4.15Å; K540-M544 WeakPolarHBondContact O-CB 3.42Å; K540-M544 PolarHBondContact O-N 3.09Å; L541-M544 HydrophobicContact CD1-CE 3.82Å; L541-M544 WeakPolarHBondContact O-CB 3.45Å; L541-M544 PolarHBondContact O-N 3.21Å; V542-M544 VanDerWaalsContact C-N 3.34Å; V542-M544 PolarHBondContact O-N 3.43Å; M544-A548 PolarHBondContact O-N 3.29Å
545	F	96.3	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-76	-36.1	178.2	-70.7	-68.2	0	0	0	113	V508 F511 A512 L541 V542 Q543 A548 V549 L569 M572 L573 L576	V508-F545 HydrophobicContact CG1-CD1 3.65Å; V508-F545 HydrophobicContact CG1-CE1 3.7Å; F511-F545 HydrophobicContact CD1-CE1 4.22Å; F511-F545 AromaticContact CD1-CZ 3.77Å; F511-F545 HydrophobicContact CD1-CZ 3.77Å; F511-F545 AromaticContact CE1-CZ 3.78Å; F511-F545 HydrophobicContact CE1-CZ 3.78Å; A512-F545 HydrophobicContact CB-CE1 4.03Å; L541-F545 HydrophobicContact CD1-CD2 4.39Å; L541-F545 HydrophobicContact CD1-CE2 3.8Å; L541-F545 HydrophobicContact CG-CE2 4.33Å; L541-F545 VanDerWaalsContact O-CD2 3.3Å; L541-F545 WeakPolarHBondContact O-CD2 3.5Å; L541-F545 PolarHBondContact O-N 3.45Å; V542-F545 PolarHBondContact O-N 3.08Å; Q543-F545 VanDerWaalsContact C-N 3.3Å; Q543-F545 PolarHBondContact O-N 3.42Å; F545-A548 WeakPolarHBondContact O-CB 3.21Å; F545-A548 PolarHBondContact O-N 3.43Å; F545-V549 WeakPolarHBondContact O-CG2 3.31Å; F545-V549 PolarHBondContact O-N 3.24Å; F545-L569 HydrophobicContact CD1-CD2 3.97Å; F545-M572 HydrophobicContact CD1-CB 4.1Å; F545-M572 HydrophobicContact CE1-CB 4.05Å; F545-M572 HydrophobicContact CE1-CE 4.41Å; F545-M572 HydrophobicContact CE1-CG 4.03Å; F545-M572 HydrophobicContact CE2-CE 3.94Å; F545-M572 HydrophobicContact CG-CB 4.39Å; F545-M572 HydrophobicContact CZ-CB 4.25Å; F545-M572 HydrophobicContact CZ-CE 3.66Å; F545-M572 HydrophobicContact CZ-CG 4.22Å; F545-L573 HydrophobicContact CB-CD2 3.69Å; F545-L573 HydrophobicContact CB-CG 4Å; F545-L576 HydrophobicContact CD2-CD1 3.62Å; F545-L576 HydrophobicContact CE2-CD1 4.02Å
546	K	95	Very high	91.9	Very high	24 Å²	24	36.6 Å²	36.6	10%	0.104	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-47.6	174.1	-73.5	-177.3	71.9	-173.1	0	111.8	V542 Q543 A548 V549 V550 L573 I590 Q592 V593	V542-K546 HydrophobicContact CG1-CD 3.97Å; V542-K546 HydrophobicContact CG1-CG 4.24Å; V542-K546 WeakPolarHBondContact O-CG 3.45Å; V542-K546 PolarHBondContact O-N 3.5Å; Q543-K546 PolarHBondContact O-N 3.49Å; K546-A548 VanDerWaalsContact C-N 3.26Å; K546-A548 PolarHBondContact O-N 2.91Å; K546-V549 PolarHBondContact O-N 3.2Å; K546-V549 VanDerWaalsContact O-N 3.14Å; K546-V550 WeakPolarHBondContact O-CG2 3.25Å; K546-V550 PolarHBondContact O-N 3.4Å; K546-L573 HydrophobicContact CG-CD1 4.43Å; K546-L573 HydrophobicContact CG-CD2 4.07Å; K546-I590 WeakPolarHBondContact CD-O 3.48Å; K546-I590 WeakPolarHBondContact CE-O 3.45Å; K546-I590 PolarHBondContact NZ-O 3.12Å; K546-Q592 WeakPolarHBondContact CE-O 3.37Å; K546-Q592 PolarHBondContact NZ-O 3.38Å; K546-V593 HydrophobicContact CG-CG2 4.42Å
547	T	94.2	Very high	91.4	Very high	58 Å²	58	38.7 Å²	38.7	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-41.2	175.7	-58.8	0	0	0	0	110.8	Q543 V549 V550 C551	Q543-T547 WeakPolarHBondContact O-CB 3.22Å; Q543-T547 PolarHBondContact O-N 3.26Å; Q543-T547 PolarHBondContact O-OG1 2.95Å; Q543-T547 VanDerWaalsContact O-OG1 3.08Å; T547-V549 PolarHBondContact O-N 3.23Å; T547-V550 PolarHBondContact O-N 3.01Å; T547-C551 PolarHBondContact O-N 3.36Å; T547-C551 PolarHBondContact O-SG 3.13Å
548	A	95.4	Very high	90.8	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-40.8	175.6	0	0	0	0	0	112.9	W504 V508 M544 F545 K546 Q552 L569	W504-A548 HydrophobicContact CB-CB 3.93Å; V508-A548 HydrophobicContact CB-CB 4.22Å; V508-A548 HydrophobicContact CG1-CB 3.8Å; M544-A548 PolarHBondContact O-N 3.29Å; F545-A548 WeakPolarHBondContact O-CB 3.21Å; F545-A548 PolarHBondContact O-N 3.43Å; K546-A548 VanDerWaalsContact C-N 3.26Å; K546-A548 PolarHBondContact O-N 2.91Å; A548-Q552 WeakPolarHBondContact O-CB 3.42Å; A548-Q552 PolarHBondContact O-N 2.96Å; A548-L569 HydrophobicContact CB-CD1 4Å; A548-L569 HydrophobicContact CB-CD2 3.79Å
549	V	94.4	Very high	90.2	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-46	174.1	171.8	0	0	0	0	110.9	F545 K546 T547 C551 Q552 L553 L569 L570 L573	F545-V549 WeakPolarHBondContact O-CG2 3.31Å; F545-V549 PolarHBondContact O-N 3.24Å; K546-V549 PolarHBondContact O-N 3.2Å; K546-V549 VanDerWaalsContact O-N 3.14Å; T547-V549 PolarHBondContact O-N 3.23Å; V549-C551 PolarHBondContact O-N 2.94Å; V549-Q552 PolarHBondContact O-N 3.4Å; V549-L553 HydrophobicContact CG1-CD1 4.2Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.15Å; V549-L569 HydrophobicContact CG2-CB 3.68Å; V549-L569 HydrophobicContact CG2-CD1 4.21Å; V549-L570 HydrophobicContact CG1-CD2 4.5Å; V549-L570 HydrophobicContact CG2-CD2 4.34Å; V549-L573 HydrophobicContact CG2-CD1 3.86Å
550	V	93.1	Very high	89.6	Confident	18 Å²	18	46.3 Å²	46.3	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-45.7	180	174	0	0	0	0	111.3	K546 T547 L553 V593 E595 R599	K546-V550 WeakPolarHBondContact O-CG2 3.25Å; K546-V550 PolarHBondContact O-N 3.4Å; T547-V550 PolarHBondContact O-N 3.01Å; V550-L553 WeakPolarHBondContact O-CB 3.41Å; V550-L553 PolarHBondContact O-N 3.27Å; V550-V593 HydrophobicContact CG2-CG1 3.65Å; V550-E595 HydrophobicContact CG1-CB 4.2Å; V550-E595 HydrophobicContact CG1-CG 3.99Å; V550-E595 HydrophobicContact CG2-CB 4.11Å; V550-E595 HydrophobicContact CG2-CG 4.14Å; V550-R599 VanDerWaalsContact CG1-NH1 3.3Å; V550-R599 PolarHBondContact O-NH1 3.26Å
551	C	92	Very high	89.1	Confident	23 Å²	23	47 Å²	47	16%	0.155	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-40.3	177.2	-65.9	0	0	0	0	112.1	W504 T547 V549 L553 D554 Y555	W504-C551 HydrophobicContact CD2-CB 3.83Å; W504-C551 HydrophobicContact CG-CB 3.68Å; W504-C551 HydrophobicContact CZ2-CB 4.48Å; W504-C551 VanDerWaalsContact NE1-CB 3.34Å; T547-C551 PolarHBondContact O-N 3.36Å; T547-C551 PolarHBondContact O-SG 3.13Å; V549-C551 PolarHBondContact O-N 2.94Å; C551-L553 PolarHBondContact O-N 3.27Å; C551-D554 WeakPolarHBondContact O-CB 3.3Å; C551-D554 PolarHBondContact O-N 2.89Å; C551-D554 VanDerWaalsContact O-N 3.09Å; C551-Y555 WeakPolarHBondContact O-CD2 3.42Å
552	Q	90	Very high	88.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-37.1	175.3	175.9	64.4	77.1	0	0	112.1	W504 A548 V549 D554 Y555 W556 E562 V566 L569	W504-Q552 HydrophobicContact CE3-CB 4.19Å; W504-Q552 HydrophobicContact CH2-CB 3.85Å; W504-Q552 HydrophobicContact CH2-CG 4.3Å; W504-Q552 VanDerWaalsContact CH2-OE1 3.24Å; W504-Q552 HydrophobicContact CZ3-CB 3.63Å; W504-Q552 HydrophobicContact CZ3-CG 4.15Å; A548-Q552 WeakPolarHBondContact O-CB 3.42Å; A548-Q552 PolarHBondContact O-N 2.96Å; V549-Q552 PolarHBondContact O-N 3.4Å; Q552-D554 VanDerWaalsContact C-N 3.3Å; Q552-D554 PolarHBondContact O-N 2.87Å; Q552-Y555 PolarHBondContact O-N 3.37Å; Q552-W556 WeakPolarHBondContact O-CB 3.46Å; Q552-W556 PolarHBondContact O-N 3.25Å; Q552-W556 VanDerWaalsContact O-N 3.14Å; Q552-E562 VanDerWaalsContact CD-OE2 3.31Å; Q552-E562 PolarHBondContact NE2-OE2 3.11Å; Q552-E562 PolarHBondContact OE1-OE2 3.16Å; Q552-V566 HydrophobicContact CG-CB 4.41Å; Q552-V566 HydrophobicContact CG-CG2 3.31Å; Q552-L569 HydrophobicContact CB-CD1 4.14Å; Q552-L569 HydrophobicContact CG-CD1 4.41Å
553	L	88.6	Confident	88.2	Confident	18 Å²	18	48.7 Å²	48.7	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-26.5	177	-72	168	0	0	0	113.6	V549 V550 C551 Y555 W556 L596 R599 F628	V549-L553 HydrophobicContact CG1-CD1 4.2Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.47Å; V549-L553 PolarHBondContact O-N 3.15Å; V550-L553 WeakPolarHBondContact O-CB 3.41Å; V550-L553 PolarHBondContact O-N 3.27Å; C551-L553 PolarHBondContact O-N 3.27Å; L553-Y555 VanDerWaalsContact C-N 3.28Å; L553-Y555 PolarHBondContact O-N 3.26Å; L553-W556 HydrophobicContact CD2-CE3 3.84Å; L553-W556 HydrophobicContact CD2-CZ3 4.23Å; L553-L596 HydrophobicContact CD1-CD2 3.67Å; L553-R599 HydrophobicContact CB-CB 4.48Å; L553-F628 HydrophobicContact CD2-CE1 4.15Å; L553-F628 HydrophobicContact CD2-CZ 3.7Å
554	D	86.7	Confident	87.8	Confident	91 Å²	91	46.7 Å²	46.7	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-69.8	-26.8	176.7	-78.1	-35.4	0	0	0	112.8	C551 Q552 R599	C551-D554 WeakPolarHBondContact O-CB 3.3Å; C551-D554 PolarHBondContact O-N 2.89Å; C551-D554 VanDerWaalsContact O-N 3.09Å; Q552-D554 VanDerWaalsContact C-N 3.3Å; Q552-D554 PolarHBondContact O-N 2.87Å; D554-R599 IonicContact OD1-CZ 3.25Å; D554-R599 IonicContact OD1-NE 3.49Å; D554-R599 IonicContact OD1-NH1 3.37Å; D554-R599 PolarHBondContact OD1-NH1 3.46Å; D554-R599 IonicContact OD1-NH2 2.78Å; D554-R599 PolarHBondContact OD1-NH2 3.44Å; D554-R599 IonicContact OD2-CZ 3.94Å; D554-R599 IonicContact OD2-NH1 2.94Å; D554-R599 PolarHBondContact OD2-NH1 2.82Å; D554-R599 IonicContact OD2-NH2 2.95Å; D554-R599 PolarHBondContact OD2-NH2 3.39Å
555	Y	82	Confident	87.6	Confident	167 Å²	167	46.7 Å²	46.7	66%	0.655	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	10.8	-175.1	-59.3	-79	0	0	0	112.6	W504 C551 Q552 L553 D557	W504-Y555 HydrophobicContact CZ2-CD2 4.05Å; C551-Y555 WeakPolarHBondContact O-CD2 3.42Å; Q552-Y555 PolarHBondContact O-N 3.37Å; L553-Y555 VanDerWaalsContact C-N 3.28Å; L553-Y555 PolarHBondContact O-N 3.26Å; Y555-D557 PolarHBondContact O-N 2.97Å; Y555-D557 VanDerWaalsContact O-N 3.1Å
556	W	81.9	Confident	87.5	Confident	46 Å²	46	46.8 Å²	46.8	17%	0.174	25%	0.251	C	S	.	.			trans	-75.2	104.3	-173.1	-171.2	32.6	0	0	0	111.2	Q552 L553 E558 N563 L600 R608 V626 F628	Q552-W556 WeakPolarHBondContact O-CB 3.46Å; Q552-W556 PolarHBondContact O-N 3.25Å; Q552-W556 VanDerWaalsContact O-N 3.14Å; L553-W556 HydrophobicContact CD2-CE3 3.84Å; L553-W556 HydrophobicContact CD2-CZ3 4.23Å; W556-E558 HydrophobicContact CD2-CG 4.42Å; W556-E558 HydrophobicContact CZ2-CG 4.43Å; W556-N563 PolarHBondContact NE1-OD1 3.46Å; W556-L600 HydrophobicContact CZ3-CD1 4.1Å; W556-R608 VanDerWaalsContact CZ2-NH1 3.27Å; W556-V626 HydrophobicContact CZ2-CB 4.49Å; W556-F628 HydrophobicContact CH2-CD2 4.17Å; W556-F628 AromaticContact CH2-CE2 3.41Å; W556-F628 HydrophobicContact CH2-CE2 3.41Å; W556-F628 VanDerWaalsContact CH2-CE2 3.41Å; W556-F628 HydrophobicContact CH2-CZ 4.3Å; W556-F628 HydrophobicContact CZ2-CE2 4.07Å; W556-F628 AromaticContact CZ3-CE2 3.71Å; W556-F628 HydrophobicContact CZ3-CE2 3.71Å; W556-F628 HydrophobicContact CZ3-CZ 4.28Å
557	D	79.5	Confident	87.3	Confident	111 Å²	111	48.9 Å²	48.9	59%	0.594	26%	0.262	S	S	*	.			trans	-96.5	6.5	177.2	74.8	-10.2	0	0	0	113.6	Y555 S559 E562	Y555-D557 PolarHBondContact O-N 2.97Å; Y555-D557 VanDerWaalsContact O-N 3.1Å; D557-S559 PolarHBondContact O-N 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.29Å; D557-S559 PolarHBondContact OD1-N 3.09Å; D557-S559 PolarHBondContact OD1-OG 3Å; D557-E562 WeakPolarHBondContact OD1-CG 3.42Å
558	E	76.3	Confident	87.3	Confident	89 Å²	89	46.5 Å²	46.5	42%	0.416	25%	0.248	S	C	.	.			trans	62	15.3	-178	-48.8	-172.1	176.6	0	0	115.7	W556 N563 R608	W556-E558 HydrophobicContact CD2-CG 4.42Å; W556-E558 HydrophobicContact CZ2-CG 4.43Å; E558-N563 PolarHBondContact O-ND2 3.15Å; E558-R608 IonicContact OE1-NH2 2.72Å; E558-R608 PolarHBondContact OE1-NH2 2.89Å; E558-R608 IonicContact OE2-CZ 3.65Å; E558-R608 IonicContact OE2-NH2 3.59Å; E558-R608 PolarHBondContact OE2-NH2 3.49Å
559	S	81.9	Confident	87.4	Confident	43 Å²	43	46.4 Å²	46.4	30%	0.301	25%	0.247	S	C	.	.			trans	-62.6	158.5	170.9	68.2	0	0	0	0	112	D557 E561 E562 N563	D557-S559 PolarHBondContact O-N 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.29Å; D557-S559 PolarHBondContact OD1-N 3.09Å; D557-S559 PolarHBondContact OD1-OG 3Å; S559-E561 PolarHBondContact O-N 2.78Å; S559-E562 PolarHBondContact O-N 2.85Å; S559-E562 VanDerWaalsContact OG-CG 3.32Å; S559-E562 WeakPolarHBondContact OG-CG 3.41Å; S559-E562 PolarHBondContact OG-N 3.19Å; S559-N563 WeakPolarHBondContact O-CB 3.49Å; S559-N563 VanDerWaalsContact O-CG 3.31Å; S559-N563 PolarHBondContact O-N 3.36Å; S559-N563 PolarHBondContact O-ND2 3.34Å
560	A	79.3	Confident	87.5	Confident	74 Å²	74	46.3 Å²	46.3	61%	0.612	25%	0.246	S	C	*	.	H	α-helix	trans	-60.3	-33	-178.5	0	0	0	0	0	112.9	G564	A560-G564 PolarHBondContact O-N 3.46Å; A560-G564 VanDerWaalsContact O-N 3.12Å
561	E	83.4	Confident	87.6	Confident	135 Å²	135	47.8 Å²	47.8	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-68.6	-48	176.8	-178.9	164.6	-165.2	0	0	111.6	S559 G564 N565	S559-E561 PolarHBondContact O-N 2.78Å; E561-G564 CarbonylContact O-C 3.3Å; E561-G564 WeakPolarHBondContact O-CA 3.38Å; E561-G564 PolarHBondContact O-N 3.21Å; E561-G564 VanDerWaalsContact O-N 3.13Å; E561-N565 PolarHBondContact O-N 3.05Å; E561-N565 PolarHBondContact O-OD1 3.25Å
562	E	84.9	Confident	87.7	Confident	29 Å²	29	46.7 Å²	46.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-37.1	179.2	-63.4	-53.1	146.3	0	0	112.3	Q552 D557 S559 G564 N565 V566	Q552-E562 VanDerWaalsContact CD-OE2 3.31Å; Q552-E562 PolarHBondContact NE2-OE2 3.11Å; Q552-E562 PolarHBondContact OE1-OE2 3.16Å; D557-E562 WeakPolarHBondContact OD1-CG 3.42Å; S559-E562 PolarHBondContact O-N 2.85Å; S559-E562 VanDerWaalsContact OG-CG 3.32Å; S559-E562 WeakPolarHBondContact OG-CG 3.41Å; S559-E562 PolarHBondContact OG-N 3.19Å; E562-G564 VanDerWaalsContact C-N 3.28Å; E562-G564 PolarHBondContact O-N 2.94Å; E562-N565 WeakPolarHBondContact O-CA 3.36Å; E562-N565 WeakPolarHBondContact O-CB 3.44Å; E562-N565 PolarHBondContact O-N 3.34Å; E562-N565 PolarHBondContact OE1-ND2 3.36Å; E562-N565 PolarHBondContact OE2-ND2 2.88Å; E562-V566 WeakPolarHBondContact O-CG2 3.49Å; E562-V566 PolarHBondContact O-N 3.02Å
563	N	86.3	Confident	88	Confident	11 Å²	11	46.7 Å²	46.7	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-39.3	171.3	-70	-20	0	0	0	111.2	W556 E558 S559 N565 Q567 C624 V626	W556-N563 PolarHBondContact NE1-OD1 3.46Å; E558-N563 PolarHBondContact O-ND2 3.15Å; S559-N563 WeakPolarHBondContact O-CB 3.49Å; S559-N563 VanDerWaalsContact O-CG 3.31Å; S559-N563 PolarHBondContact O-N 3.36Å; S559-N563 PolarHBondContact O-ND2 3.34Å; N563-N565 VanDerWaalsContact C-N 3.32Å; N563-N565 PolarHBondContact O-N 3.26Å; N563-Q567 VanDerWaalsContact O-CB 3.28Å; N563-Q567 WeakPolarHBondContact O-CB 3.31Å; N563-Q567 PolarHBondContact O-N 3.14Å; N563-C624 PolarHBondContact ND2-O 3.43Å; N563-V626 HydrophobicContact CB-CG2 4.01Å; N563-V626 VanDerWaalsContact O-CG2 3.3Å; N563-V626 WeakPolarHBondContact O-CG2 3.5Å
564	G	87.2	Confident	88.4	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-32.1	172	0	0	0	0	0	113.6	A560 E561 E562 A568	A560-G564 PolarHBondContact O-N 3.46Å; A560-G564 VanDerWaalsContact O-N 3.12Å; E561-G564 CarbonylContact O-C 3.3Å; E561-G564 WeakPolarHBondContact O-CA 3.38Å; E561-G564 PolarHBondContact O-N 3.21Å; E561-G564 VanDerWaalsContact O-N 3.13Å; E562-G564 VanDerWaalsContact C-N 3.28Å; E562-G564 PolarHBondContact O-N 2.94Å; G564-A568 WeakPolarHBondContact O-CB 3.27Å; G564-A568 PolarHBondContact O-N 2.93Å
565	N	92.2	Very high	88.7	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-53.9	174.8	-64.1	-21.7	0	0	0	111	V509 K513 E561 E562 N563 Q567 A568 L569	V509-N565 HydrophobicContact CG1-CB 3.78Å; V509-N565 WeakPolarHBondContact CG1-OD1 3.35Å; V509-N565 HydrophobicContact CG2-CB 4.32Å; K513-N565 WeakPolarHBondContact CE-OD1 3.49Å; K513-N565 PolarHBondContact NZ-OD1 3.32Å; E561-N565 PolarHBondContact O-N 3.05Å; E561-N565 PolarHBondContact O-OD1 3.25Å; E562-N565 WeakPolarHBondContact O-CA 3.36Å; E562-N565 WeakPolarHBondContact O-CB 3.44Å; E562-N565 PolarHBondContact O-N 3.34Å; E562-N565 PolarHBondContact OE1-ND2 3.36Å; E562-N565 PolarHBondContact OE2-ND2 2.88Å; N563-N565 VanDerWaalsContact C-N 3.32Å; N563-N565 PolarHBondContact O-N 3.26Å; N565-Q567 VanDerWaalsContact C-N 3.34Å; N565-Q567 PolarHBondContact O-N 3Å; N565-A568 PolarHBondContact O-N 3.4Å; N565-L569 WeakPolarHBondContact O-CG 3.47Å; N565-L569 PolarHBondContact O-N 3.33Å; N565-L569 VanDerWaalsContact O-N 3.11Å
566	V	92.3	Very high	89.4	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-48.1	178.5	177.3	0	0	0	0	110.5	Q552 E562 A568 L569 L570 V626 F628	Q552-V566 HydrophobicContact CG-CB 4.41Å; Q552-V566 HydrophobicContact CG-CG2 3.31Å; E562-V566 WeakPolarHBondContact O-CG2 3.49Å; E562-V566 PolarHBondContact O-N 3.02Å; V566-A568 VanDerWaalsContact C-N 3.31Å; V566-A568 PolarHBondContact O-N 3.44Å; V566-L569 PolarHBondContact O-N 3.27Å; V566-L569 VanDerWaalsContact O-N 3.14Å; V566-L570 HydrophobicContact CG1-CD1 3.81Å; V566-L570 HydrophobicContact CG1-CG 4.17Å; V566-L570 WeakPolarHBondContact O-CG 3.42Å; V566-L570 PolarHBondContact O-N 2.98Å; V566-V626 HydrophobicContact CB-CG2 4.18Å; V566-V626 HydrophobicContact CG1-CB 4.39Å; V566-V626 HydrophobicContact CG1-CG1 3.81Å; V566-V626 HydrophobicContact CG1-CG2 4.25Å; V566-F628 HydrophobicContact CG1-CE1 4.14Å; V566-F628 HydrophobicContact CG1-CE2 3.97Å; V566-F628 HydrophobicContact CG1-CZ 3.43Å; V566-F628 VanDerWaalsContact CG1-CZ 3.43Å
567	Q	92.3	Very high	90	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-57.7	-44.8	-179.7	-174.1	66.3	24.9	0	0	111.5	N563 N565 L569 L570 E571 V626	N563-Q567 VanDerWaalsContact O-CB 3.28Å; N563-Q567 WeakPolarHBondContact O-CB 3.31Å; N563-Q567 PolarHBondContact O-N 3.14Å; N565-Q567 VanDerWaalsContact C-N 3.34Å; N565-Q567 PolarHBondContact O-N 3Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 3.41Å; Q567-L570 PolarHBondContact O-N 2.78Å; Q567-E571 HydrophobicContact CG-CG 4.45Å; Q567-E571 PolarHBondContact NE2-OE1 3.18Å; Q567-E571 VanDerWaalsContact NE2-OE1 3.15Å; Q567-E571 WeakPolarHBondContact O-CB 3.38Å; Q567-E571 WeakPolarHBondContact O-CG 3.32Å; Q567-E571 PolarHBondContact O-N 3.1Å; Q567-V626 HydrophobicContact CB-CG2 4.25Å
568	A	94.5	Very high	90.7	Very high	8 Å²	8	40.2 Å²	40.2	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-40.7	178.6	0	0	0	0	0	112.1	A512 K513 G564 N565 V566 M572	A512-A568 HydrophobicContact CB-CB 4.1Å; K513-A568 HydrophobicContact CB-CB 4.43Å; K513-A568 HydrophobicContact CG-CB 3.64Å; G564-A568 WeakPolarHBondContact O-CB 3.27Å; G564-A568 PolarHBondContact O-N 2.93Å; N565-A568 PolarHBondContact O-N 3.4Å; V566-A568 VanDerWaalsContact C-N 3.31Å; V566-A568 PolarHBondContact O-N 3.44Å; A568-M572 VanDerWaalsContact O-CG 3.3Å; A568-M572 WeakPolarHBondContact O-CG 3.39Å; A568-M572 PolarHBondContact O-N 2.86Å
569	L	96.4	Very high	91.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-41.7	177.4	-66.1	173.3	0	0	0	112.2	V508 V509 A512 F545 A548 V549 Q552 N565 V566 Q567 M572 L573	V508-L569 HydrophobicContact CG1-CD2 4.14Å; V509-L569 HydrophobicContact CG2-CD1 3.86Å; V509-L569 HydrophobicContact CG2-CD2 4.05Å; V509-L569 HydrophobicContact CG2-CG 4.07Å; A512-L569 HydrophobicContact CB-CD2 4.07Å; F545-L569 HydrophobicContact CD1-CD2 3.97Å; A548-L569 HydrophobicContact CB-CD1 4Å; A548-L569 HydrophobicContact CB-CD2 3.79Å; V549-L569 HydrophobicContact CG2-CB 3.68Å; V549-L569 HydrophobicContact CG2-CD1 4.21Å; Q552-L569 HydrophobicContact CB-CD1 4.14Å; Q552-L569 HydrophobicContact CG-CD1 4.41Å; N565-L569 WeakPolarHBondContact O-CG 3.47Å; N565-L569 PolarHBondContact O-N 3.33Å; N565-L569 VanDerWaalsContact O-N 3.11Å; V566-L569 PolarHBondContact O-N 3.27Å; V566-L569 VanDerWaalsContact O-N 3.14Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 3.41Å; L569-M572 WeakPolarHBondContact O-CB 3.49Å; L569-M572 PolarHBondContact O-N 2.66Å; L569-L573 PolarHBondContact O-N 2.81Å
570	L	95.9	Very high	92	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-41.2	178	-66.8	178.7	0	0	0	112.3	V549 V566 Q567 M572 L573 K574 V626 F628 F631 I634	V549-L570 HydrophobicContact CG1-CD2 4.5Å; V549-L570 HydrophobicContact CG2-CD2 4.34Å; V566-L570 HydrophobicContact CG1-CD1 3.81Å; V566-L570 HydrophobicContact CG1-CG 4.17Å; V566-L570 WeakPolarHBondContact O-CG 3.42Å; V566-L570 PolarHBondContact O-N 2.98Å; Q567-L570 PolarHBondContact O-N 2.78Å; L570-M572 VanDerWaalsContact C-N 3.3Å; L570-M572 PolarHBondContact O-N 2.85Å; L570-L573 PolarHBondContact O-N 3.09Å; L570-K574 WeakPolarHBondContact O-CB 3.24Å; L570-K574 PolarHBondContact O-N 2.99Å; L570-V626 HydrophobicContact CD1-CG1 3.69Å; L570-F628 HydrophobicContact CD1-CD1 4.03Å; L570-F628 HydrophobicContact CD1-CE1 4Å; L570-F628 HydrophobicContact CD1-CG 4.42Å; L570-F628 HydrophobicContact CD1-CZ 4.36Å; L570-F628 HydrophobicContact CD2-CD1 4.43Å; L570-F628 HydrophobicContact CD2-CE1 4.32Å; L570-F631 HydrophobicContact CB-CD1 4.01Å; L570-F631 HydrophobicContact CB-CD2 4.02Å; L570-F631 HydrophobicContact CB-CE1 3.78Å; L570-F631 HydrophobicContact CB-CE2 3.78Å; L570-F631 HydrophobicContact CB-CG 4.13Å; L570-F631 HydrophobicContact CB-CZ 3.66Å; L570-F631 HydrophobicContact CD1-CD2 3.77Å; L570-F631 HydrophobicContact CD1-CE2 3.8Å; L570-F631 HydrophobicContact CD1-CG 4.47Å; L570-F631 HydrophobicContact CG-CD2 4.4Å; L570-F631 HydrophobicContact CG-CE2 4.43Å; L570-I634 HydrophobicContact CD2-CD1 3.72Å
571	E	95.1	Very high	92.5	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-35.7	173.8	-72.9	-61.6	158.1	0	0	112	Q567 K574 K575 F631	Q567-E571 HydrophobicContact CG-CG 4.45Å; Q567-E571 PolarHBondContact NE2-OE1 3.18Å; Q567-E571 VanDerWaalsContact NE2-OE1 3.15Å; Q567-E571 WeakPolarHBondContact O-CB 3.38Å; Q567-E571 WeakPolarHBondContact O-CG 3.32Å; Q567-E571 PolarHBondContact O-N 3.1Å; E571-K574 WeakPolarHBondContact O-CB 3.06Å; E571-K574 PolarHBondContact O-N 3.4Å; E571-K574 IonicContact OE2-NZ 3.66Å; E571-K575 WeakPolarHBondContact O-CG 3.38Å; E571-K575 PolarHBondContact O-N 3.05Å; E571-F631 HydrophobicContact CG-CE1 4.48Å; E571-F631 HydrophobicContact CG-CZ 4.34Å; E571-F631 WeakPolarHBondContact OE1-CZ 3.5Å
572	M	95.6	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-46.4	171.7	-76.9	-55.1	-57.6	0	0	112.4	A512 V515 W530 F545 A568 L569 L570 K574 K575 L576	A512-M572 HydrophobicContact CB-CB 4.5Å; A512-M572 HydrophobicContact CB-CG 3.53Å; V515-M572 HydrophobicContact CB-CE 4.18Å; V515-M572 HydrophobicContact CB-SD 3.54Å; V515-M572 VanDerWaalsContact CB-SD 3.54Å; V515-M572 HydrophobicContact CG1-CE 3.83Å; V515-M572 HydrophobicContact CG1-SD 3.37Å; V515-M572 WeakPolarHBondContact CG1-SD 3.48Å; V515-M572 HydrophobicContact CG2-CE 4.48Å; V515-M572 HydrophobicContact CG2-SD 4.39Å; W530-M572 HydrophobicContact CH2-CE 3.66Å; W530-M572 HydrophobicContact CZ2-CE 4.07Å; F545-M572 HydrophobicContact CD1-CB 4.1Å; F545-M572 HydrophobicContact CE1-CB 4.05Å; F545-M572 HydrophobicContact CE1-CE 4.41Å; F545-M572 HydrophobicContact CE1-CG 4.03Å; F545-M572 HydrophobicContact CE2-CE 3.94Å; F545-M572 HydrophobicContact CG-CB 4.39Å; F545-M572 HydrophobicContact CZ-CB 4.25Å; F545-M572 HydrophobicContact CZ-CE 3.66Å; F545-M572 HydrophobicContact CZ-CG 4.22Å; A568-M572 VanDerWaalsContact O-CG 3.3Å; A568-M572 WeakPolarHBondContact O-CG 3.39Å; A568-M572 PolarHBondContact O-N 2.86Å; L569-M572 WeakPolarHBondContact O-CB 3.49Å; L569-M572 PolarHBondContact O-N 2.66Å; L570-M572 VanDerWaalsContact C-N 3.3Å; L570-M572 PolarHBondContact O-N 2.85Å; M572-K574 VanDerWaalsContact C-N 3.27Å; M572-K574 PolarHBondContact O-N 3.33Å; M572-K575 PolarHBondContact O-N 3.48Å; M572-K575 HydrophobicContact SD-CD 4.43Å; M572-L576 WeakPolarHBondContact O-CG 3.3Å; M572-L576 PolarHBondContact O-N 3.5Å
573	L	96.6	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-36.7	175.5	-75.3	175.2	0	0	0	111.8	V542 F545 K546 V549 L569 L570 L576 H577 F633 I634	V542-L573 HydrophobicContact CG1-CD2 4.33Å; F545-L573 HydrophobicContact CB-CD2 3.69Å; F545-L573 HydrophobicContact CB-CG 4Å; K546-L573 HydrophobicContact CG-CD1 4.43Å; K546-L573 HydrophobicContact CG-CD2 4.07Å; V549-L573 HydrophobicContact CG2-CD1 3.86Å; L569-L573 PolarHBondContact O-N 2.81Å; L570-L573 PolarHBondContact O-N 3.09Å; L573-L576 PolarHBondContact O-N 3.31Å; L573-H577 VanDerWaalsContact O-CB 3.27Å; L573-H577 WeakPolarHBondContact O-CB 3.45Å; L573-H577 PolarHBondContact O-N 3.07Å; L573-F633 HydrophobicContact CB-CE2 3.95Å; L573-F633 HydrophobicContact CB-CZ 4.07Å; L573-I634 HydrophobicContact CD1-CG2 4.29Å
574	K	95.4	Very high	92	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	22%	0.22	S	C	.	.	H	α-helix	trans	-63.9	-41.9	175.6	-176.8	-178.5	173.7	-174.4	0	112.1	L570 E571 M572 H577 R578 F631 F633	L570-K574 WeakPolarHBondContact O-CB 3.24Å; L570-K574 PolarHBondContact O-N 2.99Å; E571-K574 WeakPolarHBondContact O-CB 3.06Å; E571-K574 PolarHBondContact O-N 3.4Å; E571-K574 IonicContact OE2-NZ 3.66Å; M572-K574 VanDerWaalsContact C-N 3.27Å; M572-K574 PolarHBondContact O-N 3.33Å; K574-H577 PolarHBondContact O-N 3.1Å; K574-R578 WeakPolarHBondContact O-CB 3.48Å; K574-R578 PolarHBondContact O-N 2.84Å; K574-F631 HydrophobicContact CB-CD1 4.05Å; K574-F631 HydrophobicContact CB-CE1 4.04Å; K574-F631 HydrophobicContact CD-CD1 4.13Å; K574-F631 HydrophobicContact CD-CE1 3.8Å; K574-F633 HydrophobicContact CB-CE1 4.01Å; K574-F633 HydrophobicContact CB-CZ 4.01Å; K574-F633 HydrophobicContact CG-CE1 4.29Å
575	K	94.6	Very high	91.3	Very high	44 Å²	44	45.1 Å²	45.1	19%	0.191	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-46.3	173.7	-74	175.8	176.1	-71.2	0	111.5	S523 E527 W530 E571 M572 R578 V579	S523-K575 PolarHBondContact OG-NZ 3.48Å; E527-K575 IonicContact OE1-NZ 2.76Å; W530-K575 HydrophobicContact CZ3-CB 4.15Å; E571-K575 WeakPolarHBondContact O-CG 3.38Å; E571-K575 PolarHBondContact O-N 3.05Å; M572-K575 PolarHBondContact O-N 3.48Å; M572-K575 HydrophobicContact SD-CD 4.43Å; K575-R578 PolarHBondContact O-N 3.41Å; K575-V579 WeakPolarHBondContact O-CG2 3.4Å; K575-V579 PolarHBondContact O-N 3.38Å
576	L	95.2	Very high	91.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-40.1	176.9	-65.3	173.5	0	0	0	112.1	W530 F538 L541 V542 F545 M572 L573 V579 N580 F591	W530-L576 HydrophobicContact CD2-CD2 3.73Å; W530-L576 HydrophobicContact CE3-CD2 3.66Å; W530-L576 HydrophobicContact CG-CD2 4.17Å; W530-L576 HydrophobicContact CZ3-CD2 4.12Å; F538-L576 HydrophobicContact CE2-CD2 3.79Å; F538-L576 HydrophobicContact CZ-CB 4.37Å; F538-L576 HydrophobicContact CZ-CD2 4.42Å; F538-L576 WeakPolarHBondContact CZ-O 3.43Å; L541-L576 HydrophobicContact CD2-CD1 4.48Å; L541-L576 HydrophobicContact CD2-CD2 3.59Å; L541-L576 HydrophobicContact CG-CD1 4.11Å; L541-L576 HydrophobicContact CG-CD2 4.12Å; V542-L576 HydrophobicContact CG2-CB 4.36Å; V542-L576 HydrophobicContact CG2-CD1 4.22Å; F545-L576 HydrophobicContact CD2-CD1 3.62Å; F545-L576 HydrophobicContact CE2-CD1 4.02Å; M572-L576 WeakPolarHBondContact O-CG 3.3Å; M572-L576 PolarHBondContact O-N 3.5Å; L573-L576 PolarHBondContact O-N 3.31Å; L576-V579 PolarHBondContact O-N 3.01Å; L576-N580 PolarHBondContact O-N 3.33Å; L576-F591 HydrophobicContact CB-CE1 4.01Å
577	H	95.4	Very high	90.9	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.8	-179.5	-110.6	0	0	0	111.5	L573 K574 V579 N580 Q581 E588 F591 F633	L573-H577 VanDerWaalsContact O-CB 3.27Å; L573-H577 WeakPolarHBondContact O-CB 3.45Å; L573-H577 PolarHBondContact O-N 3.07Å; K574-H577 PolarHBondContact O-N 3.1Å; H577-V579 VanDerWaalsContact C-N 3.34Å; H577-V579 PolarHBondContact O-N 2.93Å; H577-N580 WeakPolarHBondContact O-CA 3.5Å; H577-N580 WeakPolarHBondContact O-CB 3.36Å; H577-N580 PolarHBondContact O-N 2.92Å; H577-N580 VanDerWaalsContact O-N 3.07Å; H577-Q581 VanDerWaalsContact CE1-CD 3.43Å; H577-Q581 PolarHBondContact CE1-NE2 3.37Å; H577-Q581 WeakPolarHBondContact O-CG 3.3Å; H577-Q581 PolarHBondContact O-N 3.25Å; H577-E588 IonicContact CD2-OE2 3.91Å; H577-E588 PolarHBondContact CD2-OE2 2.83Å; H577-E588 IonicContact CE1-OE2 3.7Å; H577-E588 IonicContact NE2-OE1 2.89Å; H577-E588 PolarHBondContact NE2-OE1 3.45Å; H577-E588 IonicContact NE2-OE2 2.86Å; H577-E588 PolarHBondContact NE2-OE2 3.25Å; H577-F591 HydrophobicContact CB-CD1 4.04Å; H577-F591 HydrophobicContact CB-CE1 3.98Å; H577-F591 HydrophobicContact CB-CZ 4.47Å; H577-F591 AromaticContact CD2-CD2 3.97Å; H577-F633 HydrophobicContact CB-CD1 4.46Å; H577-F633 HydrophobicContact CB-CD2 4.03Å; H577-F633 HydrophobicContact CB-CE1 4.46Å; H577-F633 HydrophobicContact CB-CE2 4.02Å; H577-F633 HydrophobicContact CB-CG 4.27Å; H577-F633 HydrophobicContact CB-CZ 4.26Å; H577-F633 AromaticContact CD2-CG 3.98Å; H577-F633 AromaticContact CE1-CG 3.98Å; H577-F633 AromaticContact CG-CD2 3.89Å; H577-F633 AromaticContact CG-CG 3.75Å; H577-F633 AromaticContact ND1-CD1 3.78Å; H577-F633 AromaticContact ND1-CG 3.77Å
578	R	93.4	Very high	90.6	Very high	139 Å²	139	49.3 Å²	49.3	53%	0.525	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-44.1	174.1	-172.7	-173.2	-177.8	-176.1	2.8	112.3	K574 K575 N580 Q581 M582	K574-R578 WeakPolarHBondContact O-CB 3.48Å; K574-R578 PolarHBondContact O-N 2.84Å; K575-R578 PolarHBondContact O-N 3.41Å; R578-N580 VanDerWaalsContact C-N 3.31Å; R578-N580 PolarHBondContact O-N 3.26Å; R578-Q581 PolarHBondContact O-N 3.26Å; R578-M582 HydrophobicContact CG-CE 4.3Å; R578-M582 WeakPolarHBondContact O-CG 3.38Å; R578-M582 PolarHBondContact O-N 3Å
579	V	92.7	Very high	90.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-42.6	174.8	169.7	0	0	0	0	111.1	E527 W530 A531 F538 K575 L576 H577 Q581 M582 K583	E527-V579 HydrophobicContact CB-CG2 3.7Å; E527-V579 HydrophobicContact CG-CG2 3.82Å; W530-V579 HydrophobicContact CB-CG1 4.07Å; W530-V579 HydrophobicContact CE3-CG2 4.28Å; A531-V579 HydrophobicContact CB-CG1 3.94Å; F538-V579 HydrophobicContact CE2-CG1 4.15Å; F538-V579 HydrophobicContact CZ-CB 4.39Å; F538-V579 HydrophobicContact CZ-CG1 4.12Å; K575-V579 WeakPolarHBondContact O-CG2 3.4Å; K575-V579 PolarHBondContact O-N 3.38Å; L576-V579 PolarHBondContact O-N 3.01Å; H577-V579 VanDerWaalsContact C-N 3.34Å; H577-V579 PolarHBondContact O-N 2.93Å; V579-Q581 PolarHBondContact O-N 3.26Å; V579-M582 HydrophobicContact CG2-CE 4.27Å; V579-M582 PolarHBondContact O-N 3.44Å; V579-K583 PolarHBondContact O-N 3.42Å
580	N	93.8	Very high	90.1	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.5	-168.3	58.6	0	0	0	112.1	F538 L576 H577 R578 M582 K583 C584 Q585 L586 F591	F538-N580 HydrophobicContact CE1-CB 4.01Å; F538-N580 HydrophobicContact CZ-CB 4.34Å; L576-N580 PolarHBondContact O-N 3.33Å; H577-N580 WeakPolarHBondContact O-CA 3.5Å; H577-N580 WeakPolarHBondContact O-CB 3.36Å; H577-N580 PolarHBondContact O-N 2.92Å; H577-N580 VanDerWaalsContact O-N 3.07Å; R578-N580 VanDerWaalsContact C-N 3.31Å; R578-N580 PolarHBondContact O-N 3.26Å; N580-M582 VanDerWaalsContact C-N 3.29Å; N580-M582 PolarHBondContact O-N 3.33Å; N580-K583 PolarHBondContact O-N 3.35Å; N580-C584 VanDerWaalsContact O-CA 3.3Å; N580-C584 WeakPolarHBondContact O-CA 3.45Å; N580-C584 PolarHBondContact O-N 2.87Å; N580-Q585 PolarHBondContact OD1-N 2.98Å; N580-L586 PolarHBondContact ND2-O 3.24Å; N580-L586 WeakPolarHBondContact OD1-CB 3.45Å; N580-L586 PolarHBondContact OD1-N 2.99Å; N580-F591 HydrophobicContact CB-CE2 3.79Å; N580-F591 HydrophobicContact CB-CZ 3.76Å
581	Q	90.1	Very high	90	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-34.5	178.6	-71.5	-175.7	-36.5	0	0	112.9	H577 R578 V579 K583	H577-Q581 VanDerWaalsContact CE1-CD 3.43Å; H577-Q581 PolarHBondContact CE1-NE2 3.37Å; H577-Q581 WeakPolarHBondContact O-CG 3.3Å; H577-Q581 PolarHBondContact O-N 3.25Å; R578-Q581 PolarHBondContact O-N 3.26Å; V579-Q581 PolarHBondContact O-N 3.26Å; Q581-K583 VanDerWaalsContact C-N 3.32Å; Q581-K583 PolarHBondContact O-N 3.22Å
582	M	87.1	Confident	90	Very high	112 Å²	112	53.2 Å²	53.2	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-73.7	-21.6	179	-69.3	-174.5	-69.7	0	0	113.8	R578 V579 N580	R578-M582 HydrophobicContact CG-CE 4.3Å; R578-M582 WeakPolarHBondContact O-CG 3.38Å; R578-M582 PolarHBondContact O-N 3Å; V579-M582 HydrophobicContact CG2-CE 4.27Å; V579-M582 PolarHBondContact O-N 3.44Å; N580-M582 VanDerWaalsContact C-N 3.29Å; N580-M582 PolarHBondContact O-N 3.33Å
583	K	82.4	Confident	89.9	Confident	132 Å²	132	53.2 Å²	53.2	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-124	-9.4	-173	-65.7	-64.7	-177.2	-176.6	0	114.8	A531 V579 N580 Q581 Q585	A531-K583 HydrophobicContact CB-CG 4.01Å; V579-K583 PolarHBondContact O-N 3.42Å; N580-K583 PolarHBondContact O-N 3.35Å; Q581-K583 VanDerWaalsContact C-N 3.32Å; Q581-K583 PolarHBondContact O-N 3.22Å; K583-Q585 VanDerWaalsContact C-N 3.31Å; K583-Q585 HydrophobicContact CB-CG 3.75Å; K583-Q585 PolarHBondContact O-N 3.01Å
584	C	73.7	Confident	89.6	Confident	112 Å²	112	57.7 Å²	57.7	76%	0.757	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	46.6	-174.8	-59.6	0	0	0	0	113.4	N580	N580-C584 VanDerWaalsContact O-CA 3.3Å; N580-C584 WeakPolarHBondContact O-CA 3.45Å; N580-C584 PolarHBondContact O-N 2.87Å
585	Q	72.4	Confident	89.5	Confident	46 Å²	46	56 Å²	56	22%	0.215	28%	0.284	C	S	.	.			trans	-79.4	-35.8	-173.8	-69.5	-175.4	-4.1	0	0	114	A531 F538 N580 K583	A531-Q585 PolarHBondContact O-NE2 3.35Å; F538-Q585 HydrophobicContact CD1-CB 4.48Å; N580-Q585 PolarHBondContact OD1-N 2.98Å; K583-Q585 VanDerWaalsContact C-N 3.31Å; K583-Q585 HydrophobicContact CB-CG 3.75Å; K583-Q585 PolarHBondContact O-N 3.01Å
586	L	87.6	Confident	89.3	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.068	28%	0.275	C	S	.	.	S	Bend	trans	-129	150.8	-175.7	-64.7	171.8	0	0	0	111.2	E535 F538 V542 N580 I590	E535-L586 HydrophobicContact CG-CD2 3.37Å; E535-L586 HydrophobicContact CG-CG 4.42Å; F538-L586 HydrophobicContact CD1-CD1 3.29Å; F538-L586 HydrophobicContact CD1-CG 3.9Å; F538-L586 HydrophobicContact CE1-CD1 3.72Å; F538-L586 HydrophobicContact CE1-CG 4.38Å; F538-L586 HydrophobicContact CG-CD1 4.3Å; V542-L586 HydrophobicContact CG2-CD1 4.42Å; N580-L586 PolarHBondContact ND2-O 3.24Å; N580-L586 WeakPolarHBondContact OD1-CB 3.45Å; N580-L586 PolarHBondContact OD1-N 2.99Å; L586-I590 HydrophobicContact CB-CG2 3.9Å; L586-I590 HydrophobicContact CD1-CD1 4.06Å; L586-I590 HydrophobicContact CD1-CG2 4.03Å; L586-I590 HydrophobicContact CD2-CD1 4.18Å
587	P	89.1	Confident	89	Confident	80 Å²	80	56.2 Å²	56.2	52%	0.519	29%	0.288	S	S	.	.			trans	-59.8	141.3	170	-21.1	32.5	0	0	0	112.1	S589 I590	P587-S589 PolarHBondContact O-N 3.45Å; P587-S589 VanDerWaalsContact O-N 3.14Å; P587-I590 WeakPolarHBondContact O-CB 3.48Å; P587-I590 VanDerWaalsContact O-CG2 3.26Å; P587-I590 WeakPolarHBondContact O-CG2 3.3Å; P587-I590 PolarHBondContact O-N 2.96Å
588	E	86	Confident	88.6	Confident	72 Å²	72	62.4 Å²	62.4	34%	0.336	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-54.6	-33.5	178.4	-75.5	-67.9	165.5	0	0	113.2	H577 I590 F591	H577-E588 IonicContact CD2-OE2 3.91Å; H577-E588 PolarHBondContact CD2-OE2 2.83Å; H577-E588 IonicContact CE1-OE2 3.7Å; H577-E588 IonicContact NE2-OE1 2.89Å; H577-E588 PolarHBondContact NE2-OE1 3.45Å; H577-E588 IonicContact NE2-OE2 2.86Å; H577-E588 PolarHBondContact NE2-OE2 3.25Å; E588-I590 PolarHBondContact O-N 2.9Å; E588-F591 PolarHBondContact O-N 3.28Å; E588-F591 VanDerWaalsContact O-N 3.1Å
589	S	88.7	Confident	88.4	Confident	74 Å²	74	59.5 Å²	59.5	52%	0.517	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.7	177.8	58	0	0	0	0	113.7	P587 F591 Q592	P587-S589 PolarHBondContact O-N 3.45Å; P587-S589 VanDerWaalsContact O-N 3.14Å; S589-F591 PolarHBondContact O-N 3.34Å; S589-Q592 PolarHBondContact O-N 2.89Å
590	I	91.8	Very high	88.2	Confident	28 Å²	28	60 Å²	60	14%	0.144	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-66.6	-26	179.4	-151.8	169.7	0	0	0	112.4	S539 K546 L586 P587 E588	S539-I590 VanDerWaalsContact OG-CD1 3.31Å; S539-I590 WeakPolarHBondContact OG-CD1 3.48Å; K546-I590 WeakPolarHBondContact CD-O 3.48Å; K546-I590 WeakPolarHBondContact CE-O 3.45Å; K546-I590 PolarHBondContact NZ-O 3.12Å; L586-I590 HydrophobicContact CB-CG2 3.9Å; L586-I590 HydrophobicContact CD1-CD1 4.06Å; L586-I590 HydrophobicContact CD1-CG2 4.03Å; L586-I590 HydrophobicContact CD2-CD1 4.18Å; P587-I590 WeakPolarHBondContact O-CB 3.48Å; P587-I590 VanDerWaalsContact O-CG2 3.26Å; P587-I590 WeakPolarHBondContact O-CG2 3.3Å; P587-I590 PolarHBondContact O-N 2.96Å; E588-I590 PolarHBondContact O-N 2.9Å
591	F	94.2	Very high	88	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-85.9	-16.3	-180	-67.5	-92.6	0	0	0	113	F538 V542 L576 H577 N580 E588 S589 F633	F538-F591 HydrophobicContact CE1-CZ 4.35Å; V542-F591 HydrophobicContact CB-CE1 4.45Å; V542-F591 HydrophobicContact CG1-CD1 3.86Å; V542-F591 HydrophobicContact CG1-CE1 3.84Å; V542-F591 HydrophobicContact CG1-CG 4.42Å; V542-F591 HydrophobicContact CG1-CZ 4.36Å; V542-F591 HydrophobicContact CG2-CE1 3.68Å; V542-F591 HydrophobicContact CG2-CZ 3.77Å; L576-F591 HydrophobicContact CB-CE1 4.01Å; H577-F591 HydrophobicContact CB-CD1 4.04Å; H577-F591 HydrophobicContact CB-CE1 3.98Å; H577-F591 HydrophobicContact CB-CZ 4.47Å; H577-F591 AromaticContact CD2-CD2 3.97Å; N580-F591 HydrophobicContact CB-CE2 3.79Å; N580-F591 HydrophobicContact CB-CZ 3.76Å; E588-F591 PolarHBondContact O-N 3.28Å; E588-F591 VanDerWaalsContact O-N 3.1Å; S589-F591 PolarHBondContact O-N 3.34Å; F591-F633 HydrophobicContact CB-CD2 3.82Å; F591-F633 HydrophobicContact CB-CE2 4.42Å; F591-F633 HydrophobicContact CD1-CD2 4.4Å; F591-F633 HydrophobicContact CD1-CE2 4.38Å; F591-F633 HydrophobicContact CG-CD2 4.38Å
592	Q	94.1	Very high	87.9	Confident	38 Å²	38	59.1 Å²	59.1	18%	0.178	30%	0.301	C	S	.	.			trans	-66.5	135.8	179.1	-63.1	178.3	-7.2	0	0	111.2	K546 S589 N636	K546-Q592 WeakPolarHBondContact CE-O 3.37Å; K546-Q592 PolarHBondContact NZ-O 3.38Å; S589-Q592 PolarHBondContact O-N 2.89Å; Q592-N636 HydrophobicContact CB-CB 4.35Å
593	V	93.9	Very high	88	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.			trans	-108.2	95.1	178.3	-177.4	0	0	0	0	108	K546 V550 E595 L596 I634	K546-V593 HydrophobicContact CG-CG2 4.42Å; V550-V593 HydrophobicContact CG2-CG1 3.65Å; V593-E595 HydrophobicContact CG1-CB 4.31Å; V593-E595 WeakPolarHBondContact CG1-OE2 3.44Å; V593-E595 PolarHBondContact O-N 3.33Å; V593-E595 VanDerWaalsContact O-N 3.15Å; V593-L596 HydrophobicContact CB-CD1 3.87Å; V593-L596 HydrophobicContact CB-CG 3.9Å; V593-L596 HydrophobicContact CG1-CD1 4.44Å; V593-L596 HydrophobicContact CG1-CG 3.94Å; V593-L596 WeakPolarHBondContact O-CB 3.3Å; V593-L596 WeakPolarHBondContact O-CG 3.37Å; V593-L596 PolarHBondContact O-N 3.49Å; V593-L596 VanDerWaalsContact O-N 3.16Å; V593-I634 HydrophobicContact CG2-CB 4.24Å; V593-I634 HydrophobicContact CG2-CG2 4.36Å; V593-I634 PolarHBondContact N-O 3.48Å
594	D	91	Very high	88.1	Confident	94 Å²	94	54 Å²	54	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27	-176.3	-70.3	-36.6	0	0	0	112.4	L596 L597 N636	D594-L596 PolarHBondContact O-N 3.43Å; D594-L597 WeakPolarHBondContact O-CB 3.49Å; D594-L597 PolarHBondContact O-N 2.81Å; D594-N636 PolarHBondContact OD1-ND2 3.22Å
595	E	92.2	Very high	88.9	Confident	61 Å²	61	48.7 Å²	48.7	29%	0.285	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.6	-179.4	-60.6	87.2	168.8	0	0	114.3	V550 V593 L597 Y598 R599	V550-E595 HydrophobicContact CG1-CB 4.2Å; V550-E595 HydrophobicContact CG1-CG 3.99Å; V550-E595 HydrophobicContact CG2-CB 4.11Å; V550-E595 HydrophobicContact CG2-CG 4.14Å; V593-E595 HydrophobicContact CG1-CB 4.31Å; V593-E595 WeakPolarHBondContact CG1-OE2 3.44Å; V593-E595 PolarHBondContact O-N 3.33Å; V593-E595 VanDerWaalsContact O-N 3.15Å; E595-L597 PolarHBondContact O-N 2.81Å; E595-Y598 HydrophobicContact CB-CE1 3.83Å; E595-Y598 HydrophobicContact CB-CE2 4.43Å; E595-Y598 WeakPolarHBondContact CB-OH 3.4Å; E595-Y598 HydrophobicContact CG-CE1 3.86Å; E595-Y598 WeakPolarHBondContact CG-OH 3.44Å; E595-Y598 PolarHBondContact O-N 2.98Å; E595-R599 WeakPolarHBondContact O-CB 3.37Å; E595-R599 WeakPolarHBondContact O-CG 3.46Å; E595-R599 PolarHBondContact O-N 3.25Å
596	L	90.6	Very high	89.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-35.6	175.1	-67.2	171.7	0	0	0	112	L553 V593 D594 Y598 R599 L600 F602 F628 I634	L553-L596 HydrophobicContact CD1-CD2 3.67Å; V593-L596 HydrophobicContact CB-CD1 3.87Å; V593-L596 HydrophobicContact CB-CG 3.9Å; V593-L596 HydrophobicContact CG1-CD1 4.44Å; V593-L596 HydrophobicContact CG1-CG 3.94Å; V593-L596 WeakPolarHBondContact O-CB 3.3Å; V593-L596 WeakPolarHBondContact O-CG 3.37Å; V593-L596 PolarHBondContact O-N 3.49Å; V593-L596 VanDerWaalsContact O-N 3.16Å; D594-L596 PolarHBondContact O-N 3.43Å; L596-Y598 PolarHBondContact O-N 3.04Å; L596-Y598 VanDerWaalsContact O-N 3.09Å; L596-R599 PolarHBondContact O-N 3.5Å; L596-L600 HydrophobicContact CB-CB 4.5Å; L596-L600 HydrophobicContact CD2-CB 4.46Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 2.67Å; L596-F602 WeakPolarHBondContact O-CE2 3.36Å; L596-F628 HydrophobicContact CD2-CD1 3.94Å; L596-F628 HydrophobicContact CD2-CE1 4Å; L596-I634 HydrophobicContact CD1-CB 4.24Å; L596-I634 HydrophobicContact CD1-CD1 3.79Å; L596-I634 HydrophobicContact CD1-CG1 4.14Å; L596-I634 WeakPolarHBondContact CD1-O 3.2Å
597	L	89	Confident	89.4	Confident	49 Å²	49	47.9 Å²	47.9	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-55.9	-34.7	-176.2	-177.3	64.3	0	0	0	112.5	D594 E595 L638 K642	D594-L597 WeakPolarHBondContact O-CB 3.49Å; D594-L597 PolarHBondContact O-N 2.81Å; E595-L597 PolarHBondContact O-N 2.81Å; L597-L638 HydrophobicContact CD1-CB 4.16Å; L597-L638 HydrophobicContact CD2-CB 4.1Å; L597-L638 HydrophobicContact CD2-CD1 4.23Å; L597-K642 HydrophobicContact CD1-CB 4.27Å; L597-K642 HydrophobicContact CD1-CD 3.77Å; L597-K642 PolarHBondContact O-NZ 3.28Å
598	Y	87.9	Confident	89.3	Confident	148 Å²	148	44.5 Å²	44.5	58%	0.58	22%	0.22	S	C	*	.	H	α-helix	trans	-110.9	-21	-175.5	64.4	-99.8	0	0	0	114.2	E595 L596	E595-Y598 HydrophobicContact CB-CE1 3.83Å; E595-Y598 HydrophobicContact CB-CE2 4.43Å; E595-Y598 WeakPolarHBondContact CB-OH 3.4Å; E595-Y598 HydrophobicContact CG-CE1 3.86Å; E595-Y598 WeakPolarHBondContact CG-OH 3.44Å; E595-Y598 PolarHBondContact O-N 2.98Å; L596-Y598 PolarHBondContact O-N 3.04Å; L596-Y598 VanDerWaalsContact O-N 3.09Å
599	R	87.6	Confident	89.2	Confident	79 Å²	79	42 Å²	42	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-95.5	-31.4	179	-58.9	-175.2	-177.5	-145.1	-24.1	114	V550 L553 D554 E595 L596	V550-R599 VanDerWaalsContact CG1-NH1 3.3Å; V550-R599 PolarHBondContact O-NH1 3.26Å; L553-R599 HydrophobicContact CB-CB 4.48Å; D554-R599 IonicContact OD1-CZ 3.25Å; D554-R599 IonicContact OD1-NE 3.49Å; D554-R599 IonicContact OD1-NH1 3.37Å; D554-R599 PolarHBondContact OD1-NH1 3.46Å; D554-R599 IonicContact OD1-NH2 2.78Å; D554-R599 PolarHBondContact OD1-NH2 3.44Å; D554-R599 IonicContact OD2-CZ 3.94Å; D554-R599 IonicContact OD2-NH1 2.94Å; D554-R599 PolarHBondContact OD2-NH1 2.82Å; D554-R599 IonicContact OD2-NH2 2.95Å; D554-R599 PolarHBondContact OD2-NH2 3.39Å; E595-R599 WeakPolarHBondContact O-CB 3.37Å; E595-R599 WeakPolarHBondContact O-CG 3.46Å; E595-R599 PolarHBondContact O-N 3.25Å; L596-R599 PolarHBondContact O-N 3.5Å
600	L	89.1	Confident	88.9	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.052	20%	0.202	C	C	.	.	S	Bend	trans	-77.7	131.6	-177.4	-172	67.2	0	0	0	110.6	W556 L596 F602 E605 F628 F635	W556-L600 HydrophobicContact CZ3-CD1 4.1Å; L596-L600 HydrophobicContact CB-CB 4.5Å; L596-L600 HydrophobicContact CD2-CB 4.46Å; L596-L600 WeakPolarHBondContact O-CB 3.44Å; L596-L600 PolarHBondContact O-N 2.67Å; L600-F602 HydrophobicContact CB-CD2 4.41Å; L600-F602 HydrophobicContact CB-CE2 4.07Å; L600-F602 HydrophobicContact CB-CZ 4.49Å; L600-F602 HydrophobicContact CD2-CE1 4.27Å; L600-F602 HydrophobicContact CD2-CZ 4.27Å; L600-F602 VanDerWaalsContact O-CD2 3.22Å; L600-F602 WeakPolarHBondContact O-CD2 3.46Å; L600-F602 PolarHBondContact O-N 3.08Å; L600-F602 VanDerWaalsContact O-N 3.14Å; L600-E605 HydrophobicContact CD2-CG 4.44Å; L600-F628 HydrophobicContact CD1-CD2 3.86Å; L600-F628 HydrophobicContact CD1-CE2 4.13Å; L600-F628 HydrophobicContact CD1-CG 4.16Å; L600-F628 HydrophobicContact CD2-CB 4.28Å; L600-F628 HydrophobicContact CD2-CG 4.49Å; L600-F635 HydrophobicContact CD2-CE1 4.16Å; L600-F635 HydrophobicContact CD2-CZ 3.97Å
601	N	89.4	Confident	88.3	Confident	88 Å²	88	43.7 Å²	43.7	47%	0.471	22%	0.215	S	C	.	.			trans	-80	92.5	168.1	-171	-24	0	0	0	110	F603 V604 E605	N601-F603 PolarHBondContact O-N 3.32Å; N601-F603 WeakPolarHBondContact OD1-CB 3.35Å; N601-F603 PolarHBondContact OD1-N 3.1Å; N601-F603 VanDerWaalsContact OD1-N 3.14Å; N601-V604 HydrophobicContact CB-CB 4.16Å; N601-V604 HydrophobicContact CB-CG2 4.14Å; N601-V604 WeakPolarHBondContact ND2-CG2 3.32Å; N601-V604 PolarHBondContact O-N 2.81Å; N601-V604 VanDerWaalsContact O-N 3.16Å; N601-V604 PolarHBondContact OD1-N 2.76Å; N601-E605 PolarHBondContact O-N 3.09Å
602	F	89.1	Confident	87.6	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-27.6	-179.4	-73.7	-93.5	0	0	0	113.5	L596 L600 E605 V606 F635 S639 K642 L643 T646	L596-F602 WeakPolarHBondContact O-CE2 3.36Å; L600-F602 HydrophobicContact CB-CD2 4.41Å; L600-F602 HydrophobicContact CB-CE2 4.07Å; L600-F602 HydrophobicContact CB-CZ 4.49Å; L600-F602 HydrophobicContact CD2-CE1 4.27Å; L600-F602 HydrophobicContact CD2-CZ 4.27Å; L600-F602 VanDerWaalsContact O-CD2 3.22Å; L600-F602 WeakPolarHBondContact O-CD2 3.46Å; L600-F602 PolarHBondContact O-N 3.08Å; L600-F602 VanDerWaalsContact O-N 3.14Å; F602-E605 PolarHBondContact O-N 3.22Å; F602-V606 WeakPolarHBondContact O-CG2 3.46Å; F602-V606 PolarHBondContact O-N 2.85Å; F602-F635 HydrophobicContact CE1-CD1 4.43Å; F602-F635 AromaticContact CE1-CE1 3.88Å; F602-F635 HydrophobicContact CE1-CE1 3.88Å; F602-F635 HydrophobicContact CZ-CE1 4.46Å; F602-S639 WeakPolarHBondContact CE1-O 3.47Å; F602-K642 HydrophobicContact CD1-CB 4.42Å; F602-K642 HydrophobicContact CD1-CG 4.34Å; F602-K642 HydrophobicContact CD2-CD 3.68Å; F602-K642 HydrophobicContact CD2-CG 3.99Å; F602-K642 HydrophobicContact CE1-CB 4.27Å; F602-K642 HydrophobicContact CE2-CD 3.67Å; F602-K642 HydrophobicContact CE2-CG 4.23Å; F602-K642 HydrophobicContact CG-CD 4.27Å; F602-K642 HydrophobicContact CG-CG 4.06Å; F602-K642 HydrophobicContact CZ-CB 4.36Å; F602-K642 HydrophobicContact CZ-CD 4.23Å; F602-K642 HydrophobicContact CZ-CG 4.49Å; F602-L643 HydrophobicContact CD1-CB 3.8Å; F602-L643 HydrophobicContact CD1-CD1 3.92Å; F602-L643 HydrophobicContact CD1-CG 4.48Å; F602-L643 HydrophobicContact CE1-CB 4.02Å; F602-T646 HydrophobicContact CB-CG2 4.21Å
603	F	87.6	Confident	86.8	Confident	97 Å²	97	51 Å²	51	43%	0.425	24%	0.243	S	C	.	.	H	α-helix	trans	-66.6	-47.9	176.1	179.5	-84.8	0	0	0	110.4	N601 E605 V606 C607 T646 L650	N601-F603 PolarHBondContact O-N 3.32Å; N601-F603 WeakPolarHBondContact OD1-CB 3.35Å; N601-F603 PolarHBondContact OD1-N 3.1Å; N601-F603 VanDerWaalsContact OD1-N 3.14Å; F603-E605 VanDerWaalsContact C-N 3.34Å; F603-E605 PolarHBondContact O-N 3.32Å; F603-V606 PolarHBondContact O-N 3.37Å; F603-C607 PolarHBondContact O-N 3.46Å; F603-C607 PolarHBondContact O-SG 3.05Å; F603-T646 HydrophobicContact CB-CG2 4.18Å; F603-L650 HydrophobicContact CD2-CD1 3.93Å; F603-L650 HydrophobicContact CD2-CD2 3.68Å; F603-L650 HydrophobicContact CD2-CG 3.76Å; F603-L650 HydrophobicContact CE1-CD2 4.37Å; F603-L650 HydrophobicContact CE2-CD1 4.24Å; F603-L650 HydrophobicContact CE2-CD2 3.12Å; F603-L650 HydrophobicContact CE2-CG 3.71Å; F603-L650 HydrophobicContact CG-CD1 4.33Å; F603-L650 HydrophobicContact CZ-CD2 3.51Å; F603-L650 HydrophobicContact CZ-CG 4.48Å
604	V	86.2	Confident	85.8	Confident	39 Å²	39	58.1 Å²	58.1	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.1	174.4	0	0	0	0	110.9	N601 V606 C607 R608	N601-V604 HydrophobicContact CB-CB 4.16Å; N601-V604 HydrophobicContact CB-CG2 4.14Å; N601-V604 WeakPolarHBondContact ND2-CG2 3.32Å; N601-V604 PolarHBondContact O-N 2.81Å; N601-V604 VanDerWaalsContact O-N 3.16Å; N601-V604 PolarHBondContact OD1-N 2.76Å; V604-V606 PolarHBondContact O-N 3.22Å; V604-C607 PolarHBondContact O-N 3.47Å; V604-R608 HydrophobicContact CG1-CG 4.36Å; V604-R608 VanDerWaalsContact O-CG 3.32Å; V604-R608 WeakPolarHBondContact O-CG 3.5Å; V604-R608 PolarHBondContact O-N 3.41Å
605	E	88.8	Confident	84.6	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-47.9	176.9	177	63.5	-164.4	0	0	112.3	L600 N601 F602 F603 R608 R609 I627 F628 S629 L643	L600-E605 HydrophobicContact CD2-CG 4.44Å; N601-E605 PolarHBondContact O-N 3.09Å; F602-E605 PolarHBondContact O-N 3.22Å; F603-E605 VanDerWaalsContact C-N 3.34Å; F603-E605 PolarHBondContact O-N 3.32Å; E605-R608 PolarHBondContact O-N 3.23Å; E605-R609 PolarHBondContact O-N 3.28Å; E605-R609 VanDerWaalsContact O-N 3.07Å; E605-I627 VanDerWaalsContact OE1-CG2 3.31Å; E605-I627 WeakPolarHBondContact OE1-CG2 3.4Å; E605-F628 PolarHBondContact OE1-N 2.93Å; E605-F628 PolarHBondContact OE2-N 3.36Å; E605-F628 VanDerWaalsContact OE2-N 3.09Å; E605-S629 VanDerWaalsContact OE1-CB 3.26Å; E605-S629 WeakPolarHBondContact OE1-CB 3.45Å; E605-S629 PolarHBondContact OE1-N 2.94Å; E605-S629 PolarHBondContact OE1-OG 3.14Å; E605-L643 HydrophobicContact CB-CD1 4.47Å; E605-L643 HydrophobicContact CG-CD1 3.86Å
606	V	87.4	Confident	82.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-44.5	176.6	174.4	0	0	0	0	111	F602 F603 V604 R608 R609 C610 L643 T646 D647 L650	F602-V606 WeakPolarHBondContact O-CG2 3.46Å; F602-V606 PolarHBondContact O-N 2.85Å; F603-V606 PolarHBondContact O-N 3.37Å; V604-V606 PolarHBondContact O-N 3.22Å; V606-R608 VanDerWaalsContact C-N 3.28Å; V606-R608 PolarHBondContact O-N 3.31Å; V606-R609 WeakPolarHBondContact O-CB 3.47Å; V606-R609 PolarHBondContact O-N 2.7Å; V606-R609 VanDerWaalsContact O-N 3.1Å; V606-C610 PolarHBondContact O-N 3.5Å; V606-C610 PolarHBondContact O-SG 2.93Å; V606-L643 HydrophobicContact CG2-CD1 3.64Å; V606-T646 HydrophobicContact CG2-CG2 4.2Å; V606-D647 HydrophobicContact CG1-CB 4.02Å; V606-D647 HydrophobicContact CG2-CB 4.08Å; V606-L650 HydrophobicContact CB-CD1 3.53Å; V606-L650 HydrophobicContact CG1-CD1 3.44Å; V606-L650 VanDerWaalsContact CG1-CD1 3.44Å; V606-L650 HydrophobicContact CG2-CD1 4.39Å
607	C	84.6	Confident	80.9	Confident	40 Å²	40	65.5 Å²	65.5	27%	0.27	33%	0.325	S	S	.	.	H	α-helix	trans	-56.3	-43.7	176.9	-74.3	0	0	0	0	111.8	F603 V604 C610 L611	F603-C607 PolarHBondContact O-N 3.46Å; F603-C607 PolarHBondContact O-SG 3.05Å; V604-C607 PolarHBondContact O-N 3.47Å; C607-C610 PolarHBondContact O-N 3.31Å; C607-L611 WeakPolarHBondContact O-CB 3.27Å; C607-L611 WeakPolarHBondContact O-CD1 3.26Å; C607-L611 WeakPolarHBondContact O-CG 3.43Å; C607-L611 PolarHBondContact O-N 3.14Å
608	R	85.6	Confident	79	Confident	10 Å²	10	67.9 Å²	67.9	4%	0.038	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-42.5	175.5	-71.9	175	-179.3	176.7	8.9	112	W556 E558 V604 E605 V606 L611 W612 W625 V626 I627	W556-R608 VanDerWaalsContact CZ2-NH1 3.27Å; E558-R608 IonicContact OE1-NH2 2.72Å; E558-R608 PolarHBondContact OE1-NH2 2.89Å; E558-R608 IonicContact OE2-CZ 3.65Å; E558-R608 IonicContact OE2-NH2 3.59Å; E558-R608 PolarHBondContact OE2-NH2 3.49Å; V604-R608 HydrophobicContact CG1-CG 4.36Å; V604-R608 VanDerWaalsContact O-CG 3.32Å; V604-R608 WeakPolarHBondContact O-CG 3.5Å; V604-R608 PolarHBondContact O-N 3.41Å; E605-R608 PolarHBondContact O-N 3.23Å; V606-R608 VanDerWaalsContact C-N 3.28Å; V606-R608 PolarHBondContact O-N 3.31Å; R608-L611 PolarHBondContact O-N 2.96Å; R608-W612 VanDerWaalsContact O-CB 3.3Å; R608-W612 WeakPolarHBondContact O-CB 3.29Å; R608-W612 PolarHBondContact O-N 3.34Å; R608-W625 HydrophobicContact CB-CE3 4.31Å; R608-W625 HydrophobicContact CG-CD2 4.36Å; R608-W625 HydrophobicContact CG-CE3 3.85Å; R608-W625 HydrophobicContact CG-CZ3 4.47Å; R608-V626 PolarHBondContact NH1-O 3.05Å; R608-I627 HydrophobicContact CB-CG1 4.08Å
609	R	85.4	Confident	77.1	Confident	20 Å²	20	66.6 Å²	66.6	8%	0.075	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-45.7	173.5	-71.7	-178.6	69.5	75.5	6.3	112	E605 V606 W612 K613 I627 S629 D894	E605-R609 PolarHBondContact O-N 3.28Å; E605-R609 VanDerWaalsContact O-N 3.07Å; V606-R609 WeakPolarHBondContact O-CB 3.47Å; V606-R609 PolarHBondContact O-N 2.7Å; V606-R609 VanDerWaalsContact O-N 3.1Å; R609-W612 PolarHBondContact O-N 2.85Å; R609-K613 WeakPolarHBondContact O-CG 3.29Å; R609-K613 PolarHBondContact O-N 2.93Å; R609-I627 HydrophobicContact CG-CG2 3.77Å; R609-S629 VanDerWaalsContact CD-OG 3.25Å; R609-S629 WeakPolarHBondContact CD-OG 3.47Å; R609-S629 PolarHBondContact NH1-OG 3.34Å; R609-D894 IonicContact NH2-OD2 2.71Å
610	C	80.8	Confident	75.1	Confident	59 Å²	59	71.5 Å²	71.5	40%	0.399	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-45.3	178.7	-70.2	0	0	0	0	111.5	V606 C607 K613 M614	V606-C610 PolarHBondContact O-N 3.5Å; V606-C610 PolarHBondContact O-SG 2.93Å; C607-C610 PolarHBondContact O-N 3.31Å; C610-K613 PolarHBondContact O-N 3.04Å; C610-M614 WeakPolarHBondContact O-CG 3.46Å; C610-M614 PolarHBondContact O-N 2.74Å
611	L	80.9	Confident	72.8	Confident	77 Å²	77	78.4 Å²	78.4	40%	0.403	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.4	-78.1	153.7	0	0	0	111.6	C607 R608 K613 M614 T615 W625	C607-L611 WeakPolarHBondContact O-CB 3.27Å; C607-L611 WeakPolarHBondContact O-CD1 3.26Å; C607-L611 WeakPolarHBondContact O-CG 3.43Å; C607-L611 PolarHBondContact O-N 3.14Å; R608-L611 PolarHBondContact O-N 2.96Å; L611-K613 VanDerWaalsContact C-N 3.34Å; L611-K613 PolarHBondContact O-N 3.33Å; L611-M614 WeakPolarHBondContact O-CB 3.41Å; L611-M614 PolarHBondContact O-N 3.06Å; L611-T615 WeakPolarHBondContact O-CG2 3.44Å; L611-T615 PolarHBondContact O-N 3.14Å; L611-T615 PolarHBondContact O-OG1 2.8Å; L611-T615 VanDerWaalsContact O-OG1 3.1Å; L611-W625 HydrophobicContact CB-CZ3 3.79Å; L611-W625 HydrophobicContact CD1-CH2 3.78Å; L611-W625 HydrophobicContact CD1-CZ3 3.52Å; L611-W625 HydrophobicContact CG-CZ3 4.17Å
612	W	79.3	Confident	70.7	Confident	98 Å²	98	77.4 Å²	77.4	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-56.4	-46.3	174.9	-179.2	-94.8	0	0	0	111.9	R608 R609 M614 T615 V616 A622 I627	R608-W612 VanDerWaalsContact O-CB 3.3Å; R608-W612 WeakPolarHBondContact O-CB 3.29Å; R608-W612 PolarHBondContact O-N 3.34Å; R609-W612 PolarHBondContact O-N 2.85Å; W612-M614 PolarHBondContact O-N 3.26Å; W612-T615 PolarHBondContact O-N 2.75Å; W612-T615 PolarHBondContact O-OG1 3.34Å; W612-V616 VanDerWaalsContact O-CG2 3.29Å; W612-V616 WeakPolarHBondContact O-CG2 3.45Å; W612-V616 PolarHBondContact O-N 3.05Å; W612-A622 HydrophobicContact CH2-CB 3.98Å; W612-A622 HydrophobicContact CZ3-CB 3.7Å; W612-I627 HydrophobicContact CB-CD1 3.66Å; W612-I627 HydrophobicContact CD2-CD1 4.05Å; W612-I627 HydrophobicContact CE3-CD1 4.17Å; W612-I627 HydrophobicContact CG-CD1 3.82Å
613	K	77.6	Confident	68.9	Low	94 Å²	94	80.7 Å²	80.7	41%	0.409	46%	0.458	S	S	.	.	H	α-helix	trans	-61.1	-30.4	176.1	-71.8	-176	-179.3	-166.2	0	113	R609 C610 L611 D892 D894	R609-K613 WeakPolarHBondContact O-CG 3.29Å; R609-K613 PolarHBondContact O-N 2.93Å; C610-K613 PolarHBondContact O-N 3.04Å; L611-K613 VanDerWaalsContact C-N 3.34Å; L611-K613 PolarHBondContact O-N 3.33Å; K613-D892 VanDerWaalsContact NZ-CG 3.35Å; K613-D892 IonicContact NZ-OD1 3.01Å; K613-D892 PolarHBondContact NZ-OD1 2.91Å; K613-D892 VanDerWaalsContact NZ-OD1 3.14Å; K613-D892 IonicContact NZ-OD2 2.57Å; K613-D892 PolarHBondContact NZ-OD2 2.84Å; K613-D894 WeakPolarHBondContact CE-OD2 3.47Å; K613-D894 IonicContact NZ-OD2 2.7Å; K613-D894 PolarHBondContact NZ-OD2 3.06Å
614	M	72.4	Confident	67.4	Low	149 Å²	149	79.6 Å²	79.6	73%	0.734	46%	0.461	S	S	*	.	H	α-helix	trans	-81.6	-27.7	178.9	-70.7	-177.9	160.7	0	0	113.5	C610 L611 W612	C610-M614 WeakPolarHBondContact O-CG 3.46Å; C610-M614 PolarHBondContact O-N 2.74Å; L611-M614 WeakPolarHBondContact O-CB 3.41Å; L611-M614 PolarHBondContact O-N 3.06Å; W612-M614 PolarHBondContact O-N 3.26Å
615	T	64.9	Low	66.5	Low	57 Å²	57	84.4 Å²	84.4	35%	0.35	48%	0.475	S	S	.	.	H	α-helix	trans	-92.9	-11.5	-174.6	52.6	0	0	0	0	114.6	L611 W612 D617 T618	L611-T615 WeakPolarHBondContact O-CG2 3.44Å; L611-T615 PolarHBondContact O-N 3.14Å; L611-T615 PolarHBondContact O-OG1 2.8Å; L611-T615 VanDerWaalsContact O-OG1 3.1Å; W612-T615 PolarHBondContact O-N 2.75Å; W612-T615 PolarHBondContact O-OG1 3.34Å; T615-D617 PolarHBondContact O-N 2.99Å; T615-T618 PolarHBondContact O-N 3.27Å
616	V	56.4	Low	66.3	Low	100 Å²	100	84.4 Å²	84.4	61%	0.606	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.2	177.1	169.7	0	0	0	0	113.1	W612	W612-V616 VanDerWaalsContact O-CG2 3.29Å; W612-V616 WeakPolarHBondContact O-CG2 3.45Å; W612-V616 PolarHBondContact O-N 3.05Å
617	D	48.9	Very low	66.4	Low	153 Å²	153	84.6 Å²	84.6	82%	0.818	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.4	175	-79.2	-22.7	0	0	0	115.2	T615	T615-D617 PolarHBondContact O-N 2.99Å
618	T	48.5	Very low	66.7	Low	100 Å²	100	82.7 Å²	82.7	61%	0.613	46%	0.463	S	S	*	.	S	Bend	trans	-134.7	99.6	178.6	43	0	0	0	0	111.3	T615 E620	T615-T618 PolarHBondContact O-N 3.27Å; T618-E620 VanDerWaalsContact C-N 3.29Å; T618-E620 PolarHBondContact O-N 2.85Å
619	S	49.1	Very low	66.9	Low	121 Å²	121	82.4 Å²	82.4	85%	0.846	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	46.2	-163.7	66	0	0	0	0	116.3
620	E	44.6	Very low	67.1	Low	181 Å²	181	85.7 Å²	85.7	85%	0.846	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	3.6	-179.9	-73.4	-167	162.3	0	0	117.2	T618	T618-E620 VanDerWaalsContact C-N 3.29Å; T618-E620 PolarHBondContact O-N 2.85Å
621	N	41.7	Very low	67.7	Low	155 Å²	155	83.1 Å²	83.1	83%	0.829	46%	0.461	S	S	*	.			trans	-146.8	29.9	179.5	-109	-13	0	0	0	117.5	G623	N621-G623 PolarHBondContact O-N 3.36Å
622	A	44.7	Very low	68.1	Low	67 Å²	67	81.9 Å²	81.9	55%	0.554	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	5.7	179.6	0	0	0	0	0	115.2	W612	W612-A622 HydrophobicContact CH2-CB 3.98Å; W612-A622 HydrophobicContact CZ3-CB 3.7Å
623	G	50.9	Low	68.8	Low	75 Å²	75	78.5 Å²	78.5	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.1	-161.7	0	0	0	0	0	118.5	N621	N621-G623 PolarHBondContact O-N 3.36Å
624	C	55.9	Low	69.6	Low	74 Å²	74	74 Å²	74	50%	0.5	43%	0.426	S	S	.	.	S	Bend	trans	-110	-14.3	-164.8	-98.2	0	0	0	0	117.2	N563	N563-C624 PolarHBondContact ND2-O 3.43Å
625	W	69.1	Low	70.5	Confident	140 Å²	140	67.1 Å²	67.1	53%	0.53	39%	0.392	S	S	.	.			trans	-124.1	134.4	-168.3	-56.4	-22.4	0	0	0	113.7	R608 L611	R608-W625 HydrophobicContact CB-CE3 4.31Å; R608-W625 HydrophobicContact CG-CD2 4.36Å; R608-W625 HydrophobicContact CG-CE3 3.85Å; R608-W625 HydrophobicContact CG-CZ3 4.47Å; L611-W625 HydrophobicContact CB-CZ3 3.79Å; L611-W625 HydrophobicContact CD1-CH2 3.78Å; L611-W625 HydrophobicContact CD1-CZ3 3.52Å; L611-W625 HydrophobicContact CG-CZ3 4.17Å
626	V	84.4	Confident	71.8	Confident	2 Å²	2	65 Å²	65	1%	0.012	38%	0.379	C	S	.	.			trans	-83.8	128.1	171	-176.4	0	0	0	0	109.3	W556 N563 V566 Q567 L570 R608 F628	W556-V626 HydrophobicContact CZ2-CB 4.49Å; N563-V626 HydrophobicContact CB-CG2 4.01Å; N563-V626 VanDerWaalsContact O-CG2 3.3Å; N563-V626 WeakPolarHBondContact O-CG2 3.5Å; V566-V626 HydrophobicContact CB-CG2 4.18Å; V566-V626 HydrophobicContact CG1-CB 4.39Å; V566-V626 HydrophobicContact CG1-CG1 3.81Å; V566-V626 HydrophobicContact CG1-CG2 4.25Å; Q567-V626 HydrophobicContact CB-CG2 4.25Å; L570-V626 HydrophobicContact CD1-CG1 3.69Å; R608-V626 PolarHBondContact NH1-O 3.05Å; V626-F628 HydrophobicContact CB-CE2 4.42Å; V626-F628 HydrophobicContact CG1-CD2 4.02Å; V626-F628 HydrophobicContact CG1-CE2 3.88Å
627	I	88.8	Confident	73.3	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	36%	0.357	C	S	.	.			trans	-111.9	102.6	174.6	-63	172.2	0	0	0	106.8	E605 R608 R609 W612 S629 H630	E605-I627 VanDerWaalsContact OE1-CG2 3.31Å; E605-I627 WeakPolarHBondContact OE1-CG2 3.4Å; R608-I627 HydrophobicContact CB-CG1 4.08Å; R609-I627 HydrophobicContact CG-CG2 3.77Å; W612-I627 HydrophobicContact CB-CD1 3.66Å; W612-I627 HydrophobicContact CD2-CD1 4.05Å; W612-I627 HydrophobicContact CE3-CD1 4.17Å; W612-I627 HydrophobicContact CG-CD1 3.82Å; I627-S629 VanDerWaalsContact C-N 3.25Å; I627-S629 WeakPolarHBondContact CG2-OG 3.48Å; I627-S629 PolarHBondContact O-N 3.45Å; I627-H630 WeakPolarHBondContact O-CB 3.27Å; I627-H630 PolarHBondContact O-N 3.26Å
628	F	91.3	Very high	75.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-63.1	-35.2	-173.9	-82.4	-104.2	0	0	0	111.7	L553 W556 V566 L570 L596 L600 E605 V626 H630 F631 I634 F635	L553-F628 HydrophobicContact CD2-CE1 4.15Å; L553-F628 HydrophobicContact CD2-CZ 3.7Å; W556-F628 HydrophobicContact CH2-CD2 4.17Å; W556-F628 AromaticContact CH2-CE2 3.41Å; W556-F628 HydrophobicContact CH2-CE2 3.41Å; W556-F628 VanDerWaalsContact CH2-CE2 3.41Å; W556-F628 HydrophobicContact CH2-CZ 4.3Å; W556-F628 HydrophobicContact CZ2-CE2 4.07Å; W556-F628 AromaticContact CZ3-CE2 3.71Å; W556-F628 HydrophobicContact CZ3-CE2 3.71Å; W556-F628 HydrophobicContact CZ3-CZ 4.28Å; V566-F628 HydrophobicContact CG1-CE1 4.14Å; V566-F628 HydrophobicContact CG1-CE2 3.97Å; V566-F628 HydrophobicContact CG1-CZ 3.43Å; V566-F628 VanDerWaalsContact CG1-CZ 3.43Å; L570-F628 HydrophobicContact CD1-CD1 4.03Å; L570-F628 HydrophobicContact CD1-CE1 4Å; L570-F628 HydrophobicContact CD1-CG 4.42Å; L570-F628 HydrophobicContact CD1-CZ 4.36Å; L570-F628 HydrophobicContact CD2-CD1 4.43Å; L570-F628 HydrophobicContact CD2-CE1 4.32Å; L596-F628 HydrophobicContact CD2-CD1 3.94Å; L596-F628 HydrophobicContact CD2-CE1 4Å; L600-F628 HydrophobicContact CD1-CD2 3.86Å; L600-F628 HydrophobicContact CD1-CE2 4.13Å; L600-F628 HydrophobicContact CD1-CG 4.16Å; L600-F628 HydrophobicContact CD2-CB 4.28Å; L600-F628 HydrophobicContact CD2-CG 4.49Å; E605-F628 PolarHBondContact OE1-N 2.93Å; E605-F628 PolarHBondContact OE2-N 3.36Å; E605-F628 VanDerWaalsContact OE2-N 3.09Å; V626-F628 HydrophobicContact CB-CE2 4.42Å; V626-F628 HydrophobicContact CG1-CD2 4.02Å; V626-F628 HydrophobicContact CG1-CE2 3.88Å; F628-H630 PolarHBondContact O-N 3.14Å; F628-H630 VanDerWaalsContact O-N 3.1Å; F628-F631 WeakPolarHBondContact O-CA 3.37Å; F628-F631 WeakPolarHBondContact O-CB 3.49Å; F628-F631 PolarHBondContact O-N 3.16Å; F628-I634 HydrophobicContact CB-CD1 4.47Å; F628-I634 HydrophobicContact CD1-CD1 3.69Å; F628-F635 HydrophobicContact CB-CE2 3.86Å; F628-F635 HydrophobicContact CB-CZ 3.79Å; F628-F635 WeakPolarHBondContact O-CE2 3.07Å
629	S	88.4	Confident	77.3	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.021	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-64.1	-10.9	178.7	55	0	0	0	0	114.5	E605 R609 I627 F631 L898	E605-S629 VanDerWaalsContact OE1-CB 3.26Å; E605-S629 WeakPolarHBondContact OE1-CB 3.45Å; E605-S629 PolarHBondContact OE1-N 2.94Å; E605-S629 PolarHBondContact OE1-OG 3.14Å; R609-S629 VanDerWaalsContact CD-OG 3.25Å; R609-S629 WeakPolarHBondContact CD-OG 3.47Å; R609-S629 PolarHBondContact NH1-OG 3.34Å; I627-S629 VanDerWaalsContact C-N 3.25Å; I627-S629 WeakPolarHBondContact CG2-OG 3.48Å; I627-S629 PolarHBondContact O-N 3.45Å; S629-F631 PolarHBondContact O-N 3.11Å; S629-L898 WeakPolarHBondContact O-CD2 3.36Å
630	H	90.4	Very high	79.3	Confident	89 Å²	89	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-70.3	-11	165.9	-67.5	169.4	0	0	0	113	I627 F628 P632	I627-H630 WeakPolarHBondContact O-CB 3.27Å; I627-H630 PolarHBondContact O-N 3.26Å; F628-H630 PolarHBondContact O-N 3.14Å; F628-H630 VanDerWaalsContact O-N 3.1Å; H630-P632 VanDerWaalsContact C-CD 3.43Å; H630-P632 VanDerWaalsContact O-CD 3.31Å; H630-P632 WeakPolarHBondContact O-CD 3.38Å
631	F	92.8	Very high	81.5	Confident	5 Å²	5	39.5 Å²	39.5	2%	0.022	23%	0.23	C	C	.	.	S	Bend	trans	-116.4	71.3	175.7	-55.5	-92	0	0	0	108.9	L570 E571 K574 F628 S629 F633 I634	L570-F631 HydrophobicContact CB-CD1 4.01Å; L570-F631 HydrophobicContact CB-CD2 4.02Å; L570-F631 HydrophobicContact CB-CE1 3.78Å; L570-F631 HydrophobicContact CB-CE2 3.78Å; L570-F631 HydrophobicContact CB-CG 4.13Å; L570-F631 HydrophobicContact CB-CZ 3.66Å; L570-F631 HydrophobicContact CD1-CD2 3.77Å; L570-F631 HydrophobicContact CD1-CE2 3.8Å; L570-F631 HydrophobicContact CD1-CG 4.47Å; L570-F631 HydrophobicContact CG-CD2 4.4Å; L570-F631 HydrophobicContact CG-CE2 4.43Å; E571-F631 HydrophobicContact CG-CE1 4.48Å; E571-F631 HydrophobicContact CG-CZ 4.34Å; E571-F631 WeakPolarHBondContact OE1-CZ 3.5Å; K574-F631 HydrophobicContact CB-CD1 4.05Å; K574-F631 HydrophobicContact CB-CE1 4.04Å; K574-F631 HydrophobicContact CD-CD1 4.13Å; K574-F631 HydrophobicContact CD-CE1 3.8Å; F628-F631 WeakPolarHBondContact O-CA 3.37Å; F628-F631 WeakPolarHBondContact O-CB 3.49Å; F628-F631 PolarHBondContact O-N 3.16Å; S629-F631 PolarHBondContact O-N 3.11Å; F631-F633 HydrophobicContact CB-CD1 4.45Å; F631-F633 HydrophobicContact CB-CE1 3.88Å; F631-F633 HydrophobicContact CB-CZ 4.26Å; F631-F633 AromaticContact CD1-CE1 3.97Å; F631-F633 HydrophobicContact CD1-CE1 3.97Å; F631-F633 HydrophobicContact CD1-CZ 4.22Å; F631-F633 HydrophobicContact CG-CE1 4.44Å; F631-F633 PolarHBondContact O-N 3.01Å; F631-F633 VanDerWaalsContact O-N 3.11Å; F631-I634 HydrophobicContact CB-CD1 4.2Å; F631-I634 HydrophobicContact CB-CG1 3.96Å; F631-I634 WeakPolarHBondContact O-CG1 3.29Å; F631-I634 PolarHBondContact O-N 3.22Å
632	P	91.1	Very high	83.8	Confident	52 Å²	52	36.1 Å²	36.1	34%	0.338	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-57.9	-31.6	-173.1	18.5	-31.2	0	0	0	114.2	H630 I634 F635 L898	H630-P632 VanDerWaalsContact C-CD 3.43Å; H630-P632 VanDerWaalsContact O-CD 3.31Å; H630-P632 WeakPolarHBondContact O-CD 3.38Å; P632-I634 PolarHBondContact O-N 3.37Å; P632-F635 PolarHBondContact O-N 2.94Å; P632-L898 HydrophobicContact CB-CD2 3.79Å; P632-L898 HydrophobicContact CG-CD2 4.5Å
633	F	92.3	Very high	86	Confident	27 Å²	27	32.9 Å²	32.9	12%	0.118	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17.5	-175.8	67.2	-92.7	0	0	0	114.2	L573 K574 H577 F591 F631	L573-F633 HydrophobicContact CB-CE2 3.95Å; L573-F633 HydrophobicContact CB-CZ 4.07Å; K574-F633 HydrophobicContact CB-CE1 4.01Å; K574-F633 HydrophobicContact CB-CZ 4.01Å; K574-F633 HydrophobicContact CG-CE1 4.29Å; H577-F633 HydrophobicContact CB-CD1 4.46Å; H577-F633 HydrophobicContact CB-CD2 4.03Å; H577-F633 HydrophobicContact CB-CE1 4.46Å; H577-F633 HydrophobicContact CB-CE2 4.02Å; H577-F633 HydrophobicContact CB-CG 4.27Å; H577-F633 HydrophobicContact CB-CZ 4.26Å; H577-F633 AromaticContact CD2-CG 3.98Å; H577-F633 AromaticContact CE1-CG 3.98Å; H577-F633 AromaticContact CG-CD2 3.89Å; H577-F633 AromaticContact CG-CG 3.75Å; H577-F633 AromaticContact ND1-CD1 3.78Å; H577-F633 AromaticContact ND1-CG 3.77Å; F591-F633 HydrophobicContact CB-CD2 3.82Å; F591-F633 HydrophobicContact CB-CE2 4.42Å; F591-F633 HydrophobicContact CD1-CD2 4.4Å; F591-F633 HydrophobicContact CD1-CE2 4.38Å; F591-F633 HydrophobicContact CG-CD2 4.38Å; F631-F633 HydrophobicContact CB-CD1 4.45Å; F631-F633 HydrophobicContact CB-CE1 3.88Å; F631-F633 HydrophobicContact CB-CZ 4.26Å; F631-F633 AromaticContact CD1-CE1 3.97Å; F631-F633 HydrophobicContact CD1-CE1 3.97Å; F631-F633 HydrophobicContact CD1-CZ 4.22Å; F631-F633 HydrophobicContact CG-CE1 4.44Å; F631-F633 PolarHBondContact O-N 3.01Å; F631-F633 VanDerWaalsContact O-N 3.11Å
634	I	94.3	Very high	88	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-83.8	-14.2	174.2	56.2	156.7	0	0	0	112.9	L570 L573 V593 L596 F628 F631 P632	L570-I634 HydrophobicContact CD2-CD1 3.72Å; L573-I634 HydrophobicContact CD1-CG2 4.29Å; V593-I634 HydrophobicContact CG2-CB 4.24Å; V593-I634 HydrophobicContact CG2-CG2 4.36Å; V593-I634 PolarHBondContact N-O 3.48Å; L596-I634 HydrophobicContact CD1-CB 4.24Å; L596-I634 HydrophobicContact CD1-CD1 3.79Å; L596-I634 HydrophobicContact CD1-CG1 4.14Å; L596-I634 WeakPolarHBondContact CD1-O 3.2Å; F628-I634 HydrophobicContact CB-CD1 4.47Å; F628-I634 HydrophobicContact CD1-CD1 3.69Å; F631-I634 HydrophobicContact CB-CD1 4.2Å; F631-I634 HydrophobicContact CB-CG1 3.96Å; F631-I634 WeakPolarHBondContact O-CG1 3.29Å; F631-I634 PolarHBondContact O-N 3.22Å; P632-I634 PolarHBondContact O-N 3.37Å
635	F	93	Very high	89.5	Confident	3 Å²	3	27.4 Å²	27.4	1%	0.013	13%	0.128	C	C	.	.			trans	-86.1	125.5	179.2	-74.6	-111.1	0	0	0	110.6	L600 F602 F628 P632 K640 L643	L600-F635 HydrophobicContact CD2-CE1 4.16Å; L600-F635 HydrophobicContact CD2-CZ 3.97Å; F602-F635 HydrophobicContact CE1-CD1 4.43Å; F602-F635 AromaticContact CE1-CE1 3.88Å; F602-F635 HydrophobicContact CE1-CE1 3.88Å; F602-F635 HydrophobicContact CZ-CE1 4.46Å; F628-F635 HydrophobicContact CB-CE2 3.86Å; F628-F635 HydrophobicContact CB-CZ 3.79Å; F628-F635 WeakPolarHBondContact O-CE2 3.07Å; P632-F635 PolarHBondContact O-N 2.94Å; F635-K640 HydrophobicContact CB-CG 3.75Å; F635-K640 VanDerWaalsContact O-CE 3.26Å; F635-K640 WeakPolarHBondContact O-CE 3.27Å; F635-L643 HydrophobicContact CE1-CD2 4.46Å
636	N	90.8	Very high	90.5	Very high	14 Å²	14	21.8 Å²	21.8	8%	0.075	11%	0.109	C	C	.	.			trans	-74.7	165.7	163.5	69.6	15.6	0	0	0	111.2	Q592 D594 L638 S639 K640	Q592-N636 HydrophobicContact CB-CB 4.35Å; D594-N636 PolarHBondContact OD1-ND2 3.22Å; N636-L638 VanDerWaalsContact C-N 3.31Å; N636-L638 PolarHBondContact O-N 3.28Å; N636-L638 PolarHBondContact OD1-N 2.91Å; N636-S639 WeakPolarHBondContact O-CB 3.17Å; N636-S639 PolarHBondContact O-N 3.27Å; N636-S639 VanDerWaalsContact OD1-CB 3.24Å; N636-S639 WeakPolarHBondContact OD1-CB 3.32Å; N636-S639 PolarHBondContact OD1-N 3.49Å; N636-S639 PolarHBondContact OD1-OG 3.05Å; N636-K640 PolarHBondContact O-N 3.12Å; N636-K640 VanDerWaalsContact O-N 3.13Å
637	H	88.5	Confident	90.8	Very high	31 Å²	31	22 Å²	22	14%	0.144	11%	0.11	C	C	.	.	H	α-helix	trans	-49.9	-47.3	-178.9	-177.2	38.3	0	0	0	113.3	S639 K640 I641 E903 T966	H637-S639 VanDerWaalsContact C-N 3.33Å; H637-S639 PolarHBondContact O-N 3.19Å; H637-K640 PolarHBondContact O-N 3.21Å; H637-I641 WeakPolarHBondContact O-CG1 3.26Å; H637-I641 PolarHBondContact O-N 3.15Å; H637-E903 HydrophobicContact CB-CG 4.46Å; H637-T966 PolarHBondContact NE2-OG1 2.84Å
638	L	89.1	Confident	90.7	Very high	71 Å²	71	22 Å²	22	37%	0.372	11%	0.11	S	C	.	.	H	α-helix	trans	-64.7	-35.2	-179.7	-66.1	177.9	0	0	0	113.1	L597 N636 I641 K642 T966	L597-L638 HydrophobicContact CD1-CB 4.16Å; L597-L638 HydrophobicContact CD2-CB 4.1Å; L597-L638 HydrophobicContact CD2-CD1 4.23Å; N636-L638 VanDerWaalsContact C-N 3.31Å; N636-L638 PolarHBondContact O-N 3.28Å; N636-L638 PolarHBondContact OD1-N 2.91Å; L638-I641 PolarHBondContact O-N 2.82Å; L638-K642 WeakPolarHBondContact O-CB 3.35Å; L638-K642 PolarHBondContact O-N 3.41Å; L638-T966 HydrophobicContact CD2-CG2 4.3Å
639	S	92	Very high	90.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-38.7	176.8	-60.3	0	0	0	0	111.3	F602 N636 H637 K642 L643	F602-S639 WeakPolarHBondContact CE1-O 3.47Å; N636-S639 WeakPolarHBondContact O-CB 3.17Å; N636-S639 PolarHBondContact O-N 3.27Å; N636-S639 VanDerWaalsContact OD1-CB 3.24Å; N636-S639 WeakPolarHBondContact OD1-CB 3.32Å; N636-S639 PolarHBondContact OD1-N 3.49Å; N636-S639 PolarHBondContact OD1-OG 3.05Å; H637-S639 VanDerWaalsContact C-N 3.33Å; H637-S639 PolarHBondContact O-N 3.19Å; S639-K642 PolarHBondContact O-N 3.46Å; S639-L643 WeakPolarHBondContact O-CB 3.34Å; S639-L643 PolarHBondContact O-N 2.99Å
640	K	92.2	Very high	90.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-44.3	174.7	-58.8	176.3	-170.5	-178.8	0	111.4	F635 N636 H637 K642 L643 L644 L898 F899 E903	F635-K640 HydrophobicContact CB-CG 3.75Å; F635-K640 VanDerWaalsContact O-CE 3.26Å; F635-K640 WeakPolarHBondContact O-CE 3.27Å; N636-K640 PolarHBondContact O-N 3.12Å; N636-K640 VanDerWaalsContact O-N 3.13Å; H637-K640 PolarHBondContact O-N 3.21Å; K640-K642 PolarHBondContact O-N 3.1Å; K640-L643 PolarHBondContact O-N 2.9Å; K640-L644 PolarHBondContact O-N 2.93Å; K640-L898 WeakPolarHBondContact CD-O 3.12Å; K640-L898 WeakPolarHBondContact CE-O 3.41Å; K640-L898 PolarHBondContact NZ-O 2.82Å; K640-F899 HydrophobicContact CB-CD1 4.02Å; K640-F899 HydrophobicContact CB-CE1 3.47Å; K640-F899 VanDerWaalsContact CB-CE1 3.47Å; K640-F899 HydrophobicContact CB-CE2 4.11Å; K640-F899 HydrophobicContact CB-CZ 3.54Å; K640-F899 HydrophobicContact CD-CD1 4.09Å; K640-F899 HydrophobicContact CD-CE1 4.39Å; K640-F899 HydrophobicContact CD-CG 4.38Å; K640-E903 IonicContact NZ-OE1 3.78Å; K640-E903 PolarHBondContact NZ-OE1 2.77Å; K640-E903 IonicContact NZ-OE2 2.77Å; K640-E903 PolarHBondContact NZ-OE2 3.21Å
641	I	89.6	Confident	90.2	Very high	13 Å²	13	26.3 Å²	26.3	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-46.9	174	-67.2	172.1	0	0	0	110.9	H637 L638 L643 L644 H645 F899 V907	H637-I641 WeakPolarHBondContact O-CG1 3.26Å; H637-I641 PolarHBondContact O-N 3.15Å; L638-I641 PolarHBondContact O-N 2.82Å; I641-L643 VanDerWaalsContact C-N 3.34Å; I641-L643 PolarHBondContact O-N 3.03Å; I641-L644 PolarHBondContact O-N 3.5Å; I641-H645 WeakPolarHBondContact CG2-CE1 3.36Å; I641-H645 PolarHBondContact O-N 3.04Å; I641-F899 HydrophobicContact CG1-CE1 4.11Å; I641-V907 HydrophobicContact CD1-CG2 3.78Å; I641-V907 HydrophobicContact CG1-CG2 3.58Å
642	K	90	Very high	89.7	Confident	83 Å²	83	27.2 Å²	27.2	36%	0.361	14%	0.138	S	C	.	.	H	α-helix	trans	-61.8	-42.5	179.5	-170.4	170.4	175.7	-177.6	0	111.5	L597 F602 L638 S639 K640 H645 T646	L597-K642 HydrophobicContact CD1-CB 4.27Å; L597-K642 HydrophobicContact CD1-CD 3.77Å; L597-K642 PolarHBondContact O-NZ 3.28Å; F602-K642 HydrophobicContact CD1-CB 4.42Å; F602-K642 HydrophobicContact CD1-CG 4.34Å; F602-K642 HydrophobicContact CD2-CD 3.68Å; F602-K642 HydrophobicContact CD2-CG 3.99Å; F602-K642 HydrophobicContact CE1-CB 4.27Å; F602-K642 HydrophobicContact CE2-CD 3.67Å; F602-K642 HydrophobicContact CE2-CG 4.23Å; F602-K642 HydrophobicContact CG-CD 4.27Å; F602-K642 HydrophobicContact CG-CG 4.06Å; F602-K642 HydrophobicContact CZ-CB 4.36Å; F602-K642 HydrophobicContact CZ-CD 4.23Å; F602-K642 HydrophobicContact CZ-CG 4.49Å; L638-K642 WeakPolarHBondContact O-CB 3.35Å; L638-K642 PolarHBondContact O-N 3.41Å; S639-K642 PolarHBondContact O-N 3.46Å; K640-K642 PolarHBondContact O-N 3.1Å; K642-H645 PolarHBondContact O-N 3.37Å; K642-T646 WeakPolarHBondContact O-CB 3.45Å; K642-T646 PolarHBondContact O-N 2.95Å; K642-T646 PolarHBondContact O-OG1 3.41Å
643	L	91.9	Very high	89.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-47	175.4	-174.5	67.3	0	0	0	112	F602 E605 V606 F635 S639 K640 I641 T646 D647 L898	F602-L643 HydrophobicContact CD1-CB 3.8Å; F602-L643 HydrophobicContact CD1-CD1 3.92Å; F602-L643 HydrophobicContact CD1-CG 4.48Å; F602-L643 HydrophobicContact CE1-CB 4.02Å; E605-L643 HydrophobicContact CB-CD1 4.47Å; E605-L643 HydrophobicContact CG-CD1 3.86Å; V606-L643 HydrophobicContact CG2-CD1 3.64Å; F635-L643 HydrophobicContact CE1-CD2 4.46Å; S639-L643 WeakPolarHBondContact O-CB 3.34Å; S639-L643 PolarHBondContact O-N 2.99Å; K640-L643 PolarHBondContact O-N 2.9Å; I641-L643 VanDerWaalsContact C-N 3.34Å; I641-L643 PolarHBondContact O-N 3.03Å; L643-T646 PolarHBondContact O-N 3.5Å; L643-D647 PolarHBondContact O-N 2.85Å; L643-L898 HydrophobicContact CD2-CD1 3.55Å
644	L	91.3	Very high	88.6	Confident	3 Å²	3	31 Å²	31	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-45.3	177.5	179.4	66.8	0	0	0	112.3	K640 I641 D647 T648 L777 I895 I896 F899 V907	K640-L644 PolarHBondContact O-N 2.93Å; I641-L644 PolarHBondContact O-N 3.5Å; L644-D647 PolarHBondContact O-N 3.13Å; L644-T648 PolarHBondContact O-N 3.48Å; L644-T648 VanDerWaalsContact O-N 3.09Å; L644-T648 PolarHBondContact O-OG1 2.93Å; L644-L777 HydrophobicContact CD2-CD1 3.81Å; L644-L777 HydrophobicContact CD2-CD2 4.25Å; L644-L777 HydrophobicContact CD2-CG 4.1Å; L644-I895 HydrophobicContact CB-CG2 4.04Å; L644-I895 HydrophobicContact CD1-CG2 3.83Å; L644-I896 HydrophobicContact CD1-CD1 4.22Å; L644-F899 HydrophobicContact CB-CZ 4.43Å; L644-F899 HydrophobicContact CD2-CE2 4.39Å; L644-F899 HydrophobicContact CD2-CZ 4.31Å; L644-V907 HydrophobicContact CD2-CG1 4.29Å
645	H	88.8	Confident	87.9	Confident	30 Å²	30	33.7 Å²	33.7	14%	0.139	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-40	177.8	-67	169.9	0	0	0	112.1	I641 K642 T648 L649 C780	I641-H645 WeakPolarHBondContact CG2-CE1 3.36Å; I641-H645 PolarHBondContact O-N 3.04Å; K642-H645 PolarHBondContact O-N 3.37Å; H645-T648 WeakPolarHBondContact O-CB 3.28Å; H645-T648 PolarHBondContact O-N 3.35Å; H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 3.34Å; H645-C780 PolarHBondContact CD2-SG 2.86Å
646	T	89.9	Confident	87.2	Confident	23 Å²	23	36.3 Å²	36.3	14%	0.141	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-40.7	177.2	-60.3	0	0	0	0	112	F602 F603 V606 K642 L643 T648 L649 L650	F602-T646 HydrophobicContact CB-CG2 4.21Å; F603-T646 HydrophobicContact CB-CG2 4.18Å; V606-T646 HydrophobicContact CG2-CG2 4.2Å; K642-T646 WeakPolarHBondContact O-CB 3.45Å; K642-T646 PolarHBondContact O-N 2.95Å; K642-T646 PolarHBondContact O-OG1 3.41Å; L643-T646 PolarHBondContact O-N 3.5Å; T646-T648 VanDerWaalsContact C-N 3.31Å; T646-T648 PolarHBondContact O-N 2.97Å; T646-L649 PolarHBondContact O-N 2.96Å; T646-L650 HydrophobicContact CG2-CD1 4.2Å; T646-L650 WeakPolarHBondContact O-CB 3.45Å; T646-L650 PolarHBondContact O-N 3.4Å
647	D	89.9	Confident	86.5	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-42.9	173.4	171.1	74.5	0	0	0	112.4	V606 L643 L644 L650 K651 I895	V606-D647 HydrophobicContact CG1-CB 4.02Å; V606-D647 HydrophobicContact CG2-CB 4.08Å; L643-D647 PolarHBondContact O-N 2.85Å; L644-D647 PolarHBondContact O-N 3.13Å; D647-L650 PolarHBondContact O-N 2.86Å; D647-K651 WeakPolarHBondContact O-CG 3.48Å; D647-K651 PolarHBondContact O-N 3.06Å; D647-K651 VanDerWaalsContact OD1-CE 3.22Å; D647-K651 WeakPolarHBondContact OD1-CE 3.35Å; D647-K651 IonicContact OD1-NZ 2.77Å; D647-K651 PolarHBondContact OD1-NZ 3.48Å; D647-K651 VanDerWaalsContact OD2-CE 3.3Å; D647-K651 WeakPolarHBondContact OD2-CE 3.31Å; D647-K651 IonicContact OD2-NZ 3.61Å; D647-K651 PolarHBondContact OD2-NZ 3.25Å; D647-I895 HydrophobicContact CB-CD1 3.48Å; D647-I895 VanDerWaalsContact CB-CD1 3.48Å; D647-I895 VanDerWaalsContact CG-CD1 3.45Å
648	T	87.6	Confident	85.9	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-49.7	176.3	-55.1	0	0	0	0	111.6	L644 H645 T646 L650 K651 I652 F778	L644-T648 PolarHBondContact O-N 3.48Å; L644-T648 VanDerWaalsContact O-N 3.09Å; L644-T648 PolarHBondContact O-OG1 2.93Å; H645-T648 WeakPolarHBondContact O-CB 3.28Å; H645-T648 PolarHBondContact O-N 3.35Å; T646-T648 VanDerWaalsContact C-N 3.31Å; T646-T648 PolarHBondContact O-N 2.97Å; T648-L650 VanDerWaalsContact C-N 3.35Å; T648-L650 PolarHBondContact O-N 3.48Å; T648-K651 PolarHBondContact O-N 2.94Å; T648-I652 HydrophobicContact CG2-CD1 4.18Å; T648-I652 WeakPolarHBondContact O-CG1 3.44Å; T648-I652 PolarHBondContact O-N 3.25Å; T648-I652 VanDerWaalsContact O-N 3.11Å; T648-F778 HydrophobicContact CG2-CB 4.39Å; T648-F778 HydrophobicContact CG2-CD1 3.65Å; T648-F778 HydrophobicContact CG2-CD2 3.49Å; T648-F778 VanDerWaalsContact CG2-CD2 3.49Å; T648-F778 HydrophobicContact CG2-CE1 3.65Å; T648-F778 HydrophobicContact CG2-CE2 3.48Å; T648-F778 VanDerWaalsContact CG2-CE2 3.48Å; T648-F778 HydrophobicContact CG2-CG 3.57Å; T648-F778 HydrophobicContact CG2-CZ 3.56Å; T648-F778 WeakPolarHBondContact CG2-O 3.14Å
649	L	87.1	Confident	85	Confident	114 Å²	114	43.6 Å²	43.6	60%	0.597	22%	0.221	S	C	*	.	H	α-helix	trans	-58.7	-45.8	178.7	-75.4	169.9	0	0	0	111.9	H645 T646 K651 I652 E653	H645-L649 WeakPolarHBondContact O-CG 3.4Å; H645-L649 PolarHBondContact O-N 3.34Å; T646-L649 PolarHBondContact O-N 2.96Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 3.06Å; L649-I652 PolarHBondContact O-N 3.03Å; L649-E653 WeakPolarHBondContact O-CB 3.48Å; L649-E653 PolarHBondContact O-N 2.99Å
650	L	85.4	Confident	84	Confident	32 Å²	32	51 Å²	51	17%	0.168	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-41	177.7	-92.9	167.8	0	0	0	112.8	F603 V606 T646 D647 T648 E653 G654	F603-L650 HydrophobicContact CD2-CD1 3.93Å; F603-L650 HydrophobicContact CD2-CD2 3.68Å; F603-L650 HydrophobicContact CD2-CG 3.76Å; F603-L650 HydrophobicContact CE1-CD2 4.37Å; F603-L650 HydrophobicContact CE2-CD1 4.24Å; F603-L650 HydrophobicContact CE2-CD2 3.12Å; F603-L650 HydrophobicContact CE2-CG 3.71Å; F603-L650 HydrophobicContact CG-CD1 4.33Å; F603-L650 HydrophobicContact CZ-CD2 3.51Å; F603-L650 HydrophobicContact CZ-CG 4.48Å; V606-L650 HydrophobicContact CB-CD1 3.53Å; V606-L650 HydrophobicContact CG1-CD1 3.44Å; V606-L650 VanDerWaalsContact CG1-CD1 3.44Å; V606-L650 HydrophobicContact CG2-CD1 4.39Å; T646-L650 HydrophobicContact CG2-CD1 4.2Å; T646-L650 WeakPolarHBondContact O-CB 3.45Å; T646-L650 PolarHBondContact O-N 3.4Å; D647-L650 PolarHBondContact O-N 2.86Å; T648-L650 VanDerWaalsContact C-N 3.35Å; T648-L650 PolarHBondContact O-N 3.48Å; L650-E653 PolarHBondContact O-N 2.74Å; L650-G654 PolarHBondContact O-N 3.46Å
651	K	85.8	Confident	83	Confident	36 Å²	36	55.4 Å²	55.4	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-44.3	176.7	-76.4	165.4	173.3	169.4	0	111.7	D647 T648 L649 K655 F778	D647-K651 WeakPolarHBondContact O-CG 3.48Å; D647-K651 PolarHBondContact O-N 3.06Å; D647-K651 VanDerWaalsContact OD1-CE 3.22Å; D647-K651 WeakPolarHBondContact OD1-CE 3.35Å; D647-K651 IonicContact OD1-NZ 2.77Å; D647-K651 PolarHBondContact OD1-NZ 3.48Å; D647-K651 VanDerWaalsContact OD2-CE 3.3Å; D647-K651 WeakPolarHBondContact OD2-CE 3.31Å; D647-K651 IonicContact OD2-NZ 3.61Å; D647-K651 PolarHBondContact OD2-NZ 3.25Å; T648-K651 PolarHBondContact O-N 2.94Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 3.06Å; K651-K655 WeakPolarHBondContact O-CG 3.44Å; K651-K655 PolarHBondContact O-N 3.17Å; K651-F778 HydrophobicContact CB-CE2 4.35Å; K651-F778 HydrophobicContact CB-CZ 4.27Å; K651-F778 HydrophobicContact CD-CE2 4.19Å
652	I	83.6	Confident	81.9	Confident	24 Å²	24	60.1 Å²	60.1	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-48.4	176.5	-65.4	169.4	0	0	0	110.2	T648 L649 K655 K656 E708 F778	T648-I652 HydrophobicContact CG2-CD1 4.18Å; T648-I652 WeakPolarHBondContact O-CG1 3.44Å; T648-I652 PolarHBondContact O-N 3.25Å; T648-I652 VanDerWaalsContact O-N 3.11Å; L649-I652 PolarHBondContact O-N 3.03Å; I652-K655 WeakPolarHBondContact O-CB 3.45Å; I652-K655 PolarHBondContact O-N 3.21Å; I652-K656 HydrophobicContact CG2-CD 4.32Å; I652-K656 WeakPolarHBondContact O-CG 3.25Å; I652-K656 PolarHBondContact O-N 3.05Å; I652-E708 HydrophobicContact CG2-CB 4.14Å; I652-F778 HydrophobicContact CD1-CE1 3.77Å; I652-F778 HydrophobicContact CD1-CZ 4.24Å; I652-F778 HydrophobicContact CG1-CE1 3.69Å; I652-F778 HydrophobicContact CG1-CZ 3.8Å
653	E	80.9	Confident	80.6	Confident	116 Å²	116	58.1 Å²	58.1	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-39.4	-176.7	-162.6	164.7	-141.4	0	0	112.2	L649 L650 K655 K656 H657	L649-E653 WeakPolarHBondContact O-CB 3.48Å; L649-E653 PolarHBondContact O-N 2.99Å; L650-E653 PolarHBondContact O-N 2.74Å; E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3.49Å; E653-K656 WeakPolarHBondContact O-CB 3.48Å; E653-K656 PolarHBondContact O-N 2.91Å; E653-H657 WeakPolarHBondContact O-CB 3.15Å; E653-H657 PolarHBondContact O-N 3.18Å
654	G	79.3	Confident	79.1	Confident	42 Å²	42	60.4 Å²	60.4	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-35.9	173	0	0	0	0	0	113	L650 K658	L650-G654 PolarHBondContact O-N 3.46Å; G654-K658 WeakPolarHBondContact O-CB 3.44Å; G654-K658 PolarHBondContact O-N 2.98Å
655	K	79	Confident	77.5	Confident	57 Å²	57	64.5 Å²	64.5	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-44.6	172.7	-68.8	-63.3	-175.4	178.4	0	112.1	K651 I652 E653 H657 K658 A659 P678 D704 R706 K707	K651-K655 WeakPolarHBondContact O-CG 3.44Å; K651-K655 PolarHBondContact O-N 3.17Å; I652-K655 WeakPolarHBondContact O-CB 3.45Å; I652-K655 PolarHBondContact O-N 3.21Å; E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3.49Å; K655-H657 VanDerWaalsContact C-N 3.31Å; K655-H657 PolarHBondContact O-N 3.32Å; K655-K658 PolarHBondContact O-N 3.06Å; K655-A659 WeakPolarHBondContact O-CB 3.15Å; K655-A659 PolarHBondContact O-N 3.34Å; K655-P678 HydrophobicContact CB-CG 4.45Å; K655-D704 WeakPolarHBondContact CE-OD2 3.3Å; K655-D704 IonicContact NZ-OD2 2.87Å; K655-D704 PolarHBondContact NZ-OD2 3.15Å; K655-R706 WeakPolarHBondContact CG-O 3.48Å; K655-K707 HydrophobicContact CG-CG 4.48Å
656	K	78.4	Confident	76.1	Confident	59 Å²	59	68.9 Å²	68.9	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-46.9	174.9	-70.8	178.4	172.6	-171	0	111	I652 E653 A659 Y660 M677 P678 E708	I652-K656 HydrophobicContact CG2-CD 4.32Å; I652-K656 WeakPolarHBondContact O-CG 3.25Å; I652-K656 PolarHBondContact O-N 3.05Å; E653-K656 WeakPolarHBondContact O-CB 3.48Å; E653-K656 PolarHBondContact O-N 2.91Å; K656-A659 PolarHBondContact O-N 3.21Å; K656-Y660 PolarHBondContact O-N 2.86Å; K656-M677 HydrophobicContact CB-CE 4.38Å; K656-M677 HydrophobicContact CD-CE 3.44Å; K656-M677 VanDerWaalsContact CD-CE 3.44Å; K656-M677 VanDerWaalsContact CE-CE 3.46Å; K656-M677 HydrophobicContact CG-CE 3.76Å; K656-P678 HydrophobicContact CG-CG 4.31Å; K656-E708 WeakPolarHBondContact CE-OE2 3.49Å; K656-E708 IonicContact NZ-OE1 3.63Å; K656-E708 IonicContact NZ-OE2 3.93Å; K656-E708 PolarHBondContact NZ-OE2 2.89Å
657	H	75.4	Confident	74.1	Confident	118 Å²	118	76 Å²	76	55%	0.546	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-43.4	178.9	-168.6	71.5	0	0	0	112.7	E653 K655 A659 Y660 L661	E653-H657 WeakPolarHBondContact O-CB 3.15Å; E653-H657 PolarHBondContact O-N 3.18Å; K655-H657 VanDerWaalsContact C-N 3.31Å; K655-H657 PolarHBondContact O-N 3.32Å; H657-A659 VanDerWaalsContact C-N 3.34Å; H657-A659 PolarHBondContact O-N 3.16Å; H657-Y660 PolarHBondContact O-N 3.42Å; H657-L661 WeakPolarHBondContact O-CG 3.03Å; H657-L661 PolarHBondContact O-N 3.31Å
658	K	75.9	Confident	72.1	Confident	121 Å²	121	84.9 Å²	84.9	53%	0.526	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.9	-172.8	177.6	-179.2	177.9	0	112.2	G654 K655 L661 M662	G654-K658 WeakPolarHBondContact O-CB 3.44Å; G654-K658 PolarHBondContact O-N 2.98Å; K655-K658 PolarHBondContact O-N 3.06Å; K658-L661 PolarHBondContact O-N 3.09Å; K658-M662 HydrophobicContact CG-SD 4.42Å; K658-M662 WeakPolarHBondContact O-CB 3.47Å; K658-M662 WeakPolarHBondContact O-CG 3.35Å; K658-M662 PolarHBondContact O-N 3.13Å
659	A	70.3	Confident	70.1	Confident	29 Å²	29	92.8 Å²	92.8	24%	0.24	48%	0.478	C	S	.	.	H	α-helix	trans	-64.3	-42.7	176.1	0	0	0	0	0	111.6	K655 K656 H657 M662 S663 P678	K655-A659 WeakPolarHBondContact O-CB 3.15Å; K655-A659 PolarHBondContact O-N 3.34Å; K656-A659 PolarHBondContact O-N 3.21Å; H657-A659 VanDerWaalsContact C-N 3.34Å; H657-A659 PolarHBondContact O-N 3.16Å; A659-M662 PolarHBondContact O-N 2.98Å; A659-S663 PolarHBondContact O-N 3.02Å; A659-S663 PolarHBondContact O-OG 3.49Å; A659-P678 HydrophobicContact CB-CB 4.32Å; A659-P678 HydrophobicContact CB-CG 3.73Å
660	Y	72.6	Confident	67.8	Low	156 Å²	156	98.9 Å²	98.9	61%	0.612	49%	0.494	S	S	*	.	H	α-helix	trans	-60.6	-44	175	-178.4	-91.7	0	0	0	112.7	K656 H657 M662 S663 A664	K656-Y660 PolarHBondContact O-N 2.86Å; H657-Y660 PolarHBondContact O-N 3.42Å; Y660-M662 VanDerWaalsContact C-N 3.35Å; Y660-S663 WeakPolarHBondContact CA-OG 3.46Å; Y660-S663 PolarHBondContact O-N 2.84Å; Y660-S663 PolarHBondContact O-OG 3.22Å; Y660-A664 WeakPolarHBondContact O-CB 3.44Å; Y660-A664 PolarHBondContact O-N 3.16Å
661	L	70.2	Confident	65.7	Low	96 Å²	96	107.1 Å²	107.1	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-38.8	175.5	-73	173.7	0	0	0	112.1	H657 K658 A664 A665	H657-L661 WeakPolarHBondContact O-CG 3.03Å; H657-L661 PolarHBondContact O-N 3.31Å; K658-L661 PolarHBondContact O-N 3.09Å; L661-A664 PolarHBondContact O-N 3.45Å; L661-A665 WeakPolarHBondContact O-CB 3.48Å; L661-A665 PolarHBondContact O-N 3.49Å
662	M	67.3	Low	63.5	Low	113 Å²	113	110.7 Å²	110.7	56%	0.557	56%	0.561	S	S	*	*	H	α-helix	trans	-65.3	-40.2	174.9	-79	176.9	151.5	0	0	111.9	K658 A659 Y660 A665 I666	K658-M662 HydrophobicContact CG-SD 4.42Å; K658-M662 WeakPolarHBondContact O-CB 3.47Å; K658-M662 WeakPolarHBondContact O-CG 3.35Å; K658-M662 PolarHBondContact O-N 3.13Å; A659-M662 PolarHBondContact O-N 2.98Å; Y660-M662 VanDerWaalsContact C-N 3.35Å; M662-A665 PolarHBondContact O-N 3.09Å; M662-I666 VanDerWaalsContact O-CD1 3.31Å; M662-I666 WeakPolarHBondContact O-CD1 3.49Å; M662-I666 VanDerWaalsContact O-CG1 3.27Å; M662-I666 WeakPolarHBondContact O-CG1 3.48Å; M662-I666 PolarHBondContact O-N 3.17Å
663	S	61.8	Low	61.5	Low	41 Å²	41	117.7 Å²	117.7	29%	0.287	59%	0.593	S	S	.	*	H	α-helix	trans	-69.3	-39.4	175.7	55.8	0	0	0	0	112.5	A659 Y660 A665 I666	A659-S663 PolarHBondContact O-N 3.02Å; A659-S663 PolarHBondContact O-OG 3.49Å; Y660-S663 WeakPolarHBondContact CA-OG 3.46Å; Y660-S663 PolarHBondContact O-N 2.84Å; Y660-S663 PolarHBondContact O-OG 3.22Å; S663-A665 VanDerWaalsContact C-N 3.26Å; S663-A665 PolarHBondContact O-N 3.16Å; S663-I666 PolarHBondContact O-N 2.6Å; S663-I666 VanDerWaalsContact O-N 3.12Å
664	A	60.7	Low	59.5	Low	48 Å²	48	120.7 Å²	120.7	40%	0.397	61%	0.605	S	S	.	*	H	α-helix	trans	-65.9	-28.8	176	0	0	0	0	0	112.5	Y660 L661 I666	Y660-A664 WeakPolarHBondContact O-CB 3.44Å; Y660-A664 PolarHBondContact O-N 3.16Å; L661-A664 PolarHBondContact O-N 3.45Å; A664-I666 VanDerWaalsContact C-N 3.27Å; A664-I666 PolarHBondContact O-N 3.16Å
665	A	58	Low	57.8	Low	88 Å²	88	122 Å²	122	73%	0.727	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-11.2	174.6	0	0	0	0	0	113.9	L661 M662 S663	L661-A665 WeakPolarHBondContact O-CB 3.48Å; L661-A665 PolarHBondContact O-N 3.49Å; M662-A665 PolarHBondContact O-N 3.09Å; S663-A665 VanDerWaalsContact C-N 3.26Å; S663-A665 PolarHBondContact O-N 3.16Å
666	I	59.3	Low	56.6	Low	123 Å²	123	126.9 Å²	126.9	63%	0.631	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-1.3	-179.7	-65	165.3	0	0	0	111.5	M662 S663 A664 E668	M662-I666 VanDerWaalsContact O-CD1 3.31Å; M662-I666 WeakPolarHBondContact O-CD1 3.49Å; M662-I666 VanDerWaalsContact O-CG1 3.27Å; M662-I666 WeakPolarHBondContact O-CG1 3.48Å; M662-I666 PolarHBondContact O-N 3.17Å; S663-I666 PolarHBondContact O-N 2.6Å; S663-I666 VanDerWaalsContact O-N 3.12Å; A664-I666 VanDerWaalsContact C-N 3.27Å; A664-I666 PolarHBondContact O-N 3.16Å; I666-E668 PolarHBondContact O-N 3.07Å
667	E	48.1	Very low	55.5	Low	172 Å²	172	129 Å²	129	80%	0.804	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	59.1	175.1	-72	-167	162.2	0	0	113.9
668	E	48	Very low	55.2	Low	192 Å²	192	124.5 Å²	124.5	90%	0.897	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-12.2	152.3	-94.3	-171.6	170.4	0	0	113.7	I666	I666-E668 PolarHBondContact O-N 3.07Å
669	E	44.4	Very low	55.1	Low	171 Å²	171	120.7 Å²	120.7	80%	0.799	62%	0.62	S	S	*	*	S	Bend	trans	-141.8	107.3	175.8	-71.1	-168.9	161.3	0	0	114.4
670	R	39	Very low	55.7	Low	243 Å²	243	119.5 Å²	119.5	92%	0.917	61%	0.609	S	S	*	*			trans	85.6	121.5	161.4	-63.9	-174	-178.4	-172.1	1.1	119.3	S672	R670-S672 PolarHBondContact O-N 3.35Å
671	E	42	Very low	56.3	Low	205 Å²	205	116 Å²	116	96%	0.958	60%	0.601	S	S	*	*			trans	-51.8	111.8	158.4	-67.1	175	152.9	0	0	110.8
672	S	38.6	Very low	57.1	Low	111 Å²	111	111.5 Å²	111.5	78%	0.776	58%	0.577	S	S	*	*			trans	-141.9	123.2	156.6	178.9	0	0	0	0	107.6	R670	R670-S672 PolarHBondContact O-N 3.35Å
673	E	41.5	Very low	58	Low	171 Å²	171	109.4 Å²	109.4	80%	0.799	57%	0.571	S	S	*	*	S	Bend	trans	-56.8	145.2	-179.6	-66.9	173.6	133.9	0	0	112.4
674	F	39.4	Very low	59.3	Low	179 Å²	179	107.5 Å²	107.5	79%	0.785	56%	0.557	S	S	*	*			trans	70	94	174.7	-58	-83.3	0	0	0	116.7	L676	F674-L676 PolarHBondContact O-N 3.47Å
675	A	44	Very low	60.7	Low	70 Å²	70	110.4 Å²	110.4	58%	0.579	56%	0.558	S	S	*	*			trans	-57	99.9	154.2	0	0	0	0	0	108.7	M677	A675-M677 PolarHBondContact O-N 3.23Å; A675-M677 VanDerWaalsContact O-N 3.09Å
676	L	53.8	Low	61.9	Low	158 Å²	158	109.2 Å²	109.2	83%	0.827	54%	0.535	S	S	*	.			trans	-56.7	116.2	179.8	-82.4	153.7	0	0	0	109.1	F674	F674-L676 PolarHBondContact O-N 3.47Å
677	M	56.4	Low	63.1	Low	103 Å²	103	110.3 Å²	110.3	51%	0.507	54%	0.542	S	S	.	.			trans	-54.4	139.3	170.7	-65.4	-153.7	76.5	0	0	108.7	K656 A675 T679	K656-M677 HydrophobicContact CB-CE 4.38Å; K656-M677 HydrophobicContact CD-CE 3.44Å; K656-M677 VanDerWaalsContact CD-CE 3.44Å; K656-M677 VanDerWaalsContact CE-CE 3.46Å; K656-M677 HydrophobicContact CG-CE 3.76Å; A675-M677 PolarHBondContact O-N 3.23Å; A675-M677 VanDerWaalsContact O-N 3.09Å; M677-T679 VanDerWaalsContact C-N 3.27Å; M677-T679 HydrophobicContact CB-CG2 4.29Å; M677-T679 PolarHBondContact O-N 2.98Å
678	P	68.1	Low	65.1	Low	25 Å²	25	106.1 Å²	106.1	16%	0.162	52%	0.522	C	S	.	.			trans	-70.5	89.1	177.2	28.8	-33.4	0	0	0	108.7	K655 K656 A659 K707	K655-P678 HydrophobicContact CB-CG 4.45Å; K656-P678 HydrophobicContact CG-CG 4.31Å; A659-P678 HydrophobicContact CB-CB 4.32Å; A659-P678 HydrophobicContact CB-CG 3.73Å; P678-K707 HydrophobicContact CB-CD 4.14Å; P678-K707 HydrophobicContact CB-CG 4.4Å; P678-K707 WeakPolarHBondContact O-CB 3.26Å
679	T	74.8	Confident	67	Low	41 Å²	41	97 Å²	97	25%	0.252	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	157.4	172.5	57.3	0	0	0	0	109.8	M677 D681 E708 W710	M677-T679 VanDerWaalsContact C-N 3.27Å; M677-T679 HydrophobicContact CB-CG2 4.29Å; M677-T679 PolarHBondContact O-N 2.98Å; T679-D681 WeakPolarHBondContact CB-OD1 3.49Å; T679-D681 PolarHBondContact OG1-OD1 3.11Å; T679-D681 PolarHBondContact OG1-OD2 2.94Å; T679-E708 CarbonylContact C-O 3.48Å; T679-E708 WeakPolarHBondContact CA-O 3.16Å; T679-W710 VanDerWaalsContact CG2-CD1 3.49Å; T679-W710 HydrophobicContact CG2-CG 4.27Å
680	F	82.5	Confident	69.2	Low	4 Å²	4	89.8 Å²	89.8	2%	0.018	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	97	167.7	172.8	-131.1	0	0	0	107.2	L682 L697 F700 L705 K707 E708 L709 W710 L775	F680-L682 HydrophobicContact CE1-CD1 4.02Å; F680-L682 HydrophobicContact CE1-CD2 4.31Å; F680-L682 HydrophobicContact CE1-CG 4.06Å; F680-L682 HydrophobicContact CE2-CD2 4.03Å; F680-L682 HydrophobicContact CE2-CG 4.42Å; F680-L682 HydrophobicContact CZ-CD1 4.13Å; F680-L682 HydrophobicContact CZ-CD2 3.63Å; F680-L682 HydrophobicContact CZ-CG 3.87Å; F680-L697 HydrophobicContact CE1-CD2 4.22Å; F680-L697 HydrophobicContact CZ-CD2 3.68Å; F680-F700 HydrophobicContact CD2-CD2 4.23Å; F680-F700 HydrophobicContact CD2-CE2 4.19Å; F680-F700 HydrophobicContact CD2-CZ 4.43Å; F680-F700 AromaticContact CE2-CD2 3.5Å; F680-F700 HydrophobicContact CE2-CD2 3.5Å; F680-F700 AromaticContact CE2-CE2 3.68Å; F680-F700 HydrophobicContact CE2-CE2 3.68Å; F680-F700 HydrophobicContact CE2-CG 4.07Å; F680-F700 HydrophobicContact CE2-CZ 4.36Å; F680-F700 HydrophobicContact CZ-CD2 4.44Å; F680-L705 HydrophobicContact CD1-CD2 4.2Å; F680-L705 HydrophobicContact CD2-CD2 3.6Å; F680-L705 HydrophobicContact CE1-CD2 4.21Å; F680-L705 HydrophobicContact CE2-CD2 3.63Å; F680-L705 HydrophobicContact CG-CD2 3.93Å; F680-L705 HydrophobicContact CZ-CD2 3.94Å; F680-K707 HydrophobicContact CB-CB 4.42Å; F680-E708 PolarHBondContact N-O 2.92Å; F680-L709 HydrophobicContact CD1-CD1 3.54Å; F680-L709 HydrophobicContact CE1-CD1 3.85Å; F680-L709 HydrophobicContact CG-CD1 4.41Å; F680-L709 CarbonylContact O-C 3.58Å; F680-L709 WeakPolarHBondContact O-CA 3.41Å; F680-W710 PolarHBondContact O-N 3.43Å; F680-L775 HydrophobicContact CD1-CD2 4.47Å; F680-L775 HydrophobicContact CE1-CD2 3.9Å
681	D	83.8	Confident	71.6	Confident	83 Å²	83	83.4 Å²	83.4	44%	0.444	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.7	-172.3	-55.7	-22.9	0	0	0	110.4	T679 W710	T679-D681 WeakPolarHBondContact CB-OD1 3.49Å; T679-D681 PolarHBondContact OG1-OD1 3.11Å; T679-D681 PolarHBondContact OG1-OD2 2.94Å; D681-W710 CarbonylContact C-O 3.47Å; D681-W710 WeakPolarHBondContact CA-O 3.45Å; D681-W710 VanDerWaalsContact OD1-CB 3.29Å; D681-W710 WeakPolarHBondContact OD1-CB 3.43Å
682	L	87.1	Confident	74	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.5	171.4	-70.5	-178.9	0	0	0	109.7	F680 Q696 L709 W710 V711 S712 F728	F680-L682 HydrophobicContact CE1-CD1 4.02Å; F680-L682 HydrophobicContact CE1-CD2 4.31Å; F680-L682 HydrophobicContact CE1-CG 4.06Å; F680-L682 HydrophobicContact CE2-CD2 4.03Å; F680-L682 HydrophobicContact CE2-CG 4.42Å; F680-L682 HydrophobicContact CZ-CD1 4.13Å; F680-L682 HydrophobicContact CZ-CD2 3.63Å; F680-L682 HydrophobicContact CZ-CG 3.87Å; L682-Q696 HydrophobicContact CD2-CB 3.78Å; L682-L709 HydrophobicContact CD1-CD1 3.86Å; L682-L709 HydrophobicContact CG-CD1 4.12Å; L682-W710 PolarHBondContact N-O 3.28Å; L682-V711 WeakPolarHBondContact O-CA 3.38Å; L682-S712 PolarHBondContact O-N 3.08Å; L682-F728 HydrophobicContact CD1-CE1 4.23Å; L682-F728 HydrophobicContact CD1-CZ 3.86Å
683	T	87.2	Confident	76.5	Confident	69 Å²	69	69.3 Å²	69.3	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.7	175.9	-57.8	0	0	0	0	109.1	Q696 S712	T683-Q696 VanDerWaalsContact N-OE1 3.11Å; T683-Q696 PolarHBondContact O-NE2 2.92Å; T683-S712 WeakPolarHBondContact CA-O 3.4Å; T683-S712 PolarHBondContact OG1-OG 3.47Å; T683-S712 VanDerWaalsContact OG1-OG 3.13Å
684	V	89.3	Confident	78.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.9	-167.3	-64.3	0	0	0	0	112.2	L689 D692 V693 S712 F713 S714 F728	V684-L689 HydrophobicContact CB-CD1 3.83Å; V684-L689 HydrophobicContact CG1-CD1 4.35Å; V684-L689 HydrophobicContact CG2-CD1 3.58Å; V684-D692 HydrophobicContact CB-CB 4.26Å; V684-D692 HydrophobicContact CG1-CB 4.02Å; V684-V693 HydrophobicContact CG1-CG2 3.65Å; V684-S712 PolarHBondContact N-O 3.41Å; V684-F713 HydrophobicContact CG2-CD1 3.76Å; V684-F713 HydrophobicContact CG2-CE1 3.76Å; V684-F713 CarbonylContact O-C 3.43Å; V684-F713 WeakPolarHBondContact O-CA 3.33Å; V684-S714 PolarHBondContact O-N 3.38Å; V684-F728 HydrophobicContact CG1-CE2 4.3Å; V684-F728 HydrophobicContact CG2-CD2 4.17Å; V684-F728 HydrophobicContact CG2-CE2 4.18Å
685	R	88.8	Confident	81.1	Confident	109 Å²	109	57.5 Å²	57.5	41%	0.411	30%	0.3	S	S	.	.			trans	-95.9	133.5	172.7	-62.8	168.2	-66.5	169	2	109.3	N687 H688 L689 D692	R685-N687 PolarHBondContact O-N 3.42Å; R685-N687 VanDerWaalsContact O-N 3.15Å; R685-H688 HydrophobicContact CB-CB 4.46Å; R685-H688 CarbonylContact O-C 3.56Å; R685-H688 PolarHBondContact O-N 3.47Å; R685-L689 PolarHBondContact O-N 2.91Å; R685-L689 VanDerWaalsContact O-N 3.11Å; R685-D692 WeakPolarHBondContact CB-OD2 3.34Å; R685-D692 WeakPolarHBondContact CG-OD2 3.16Å; R685-D692 IonicContact CZ-OD1 2.66Å; R685-D692 IonicContact CZ-OD2 2.81Å; R685-D692 PolarHBondContact N-OD2 2.88Å; R685-D692 IonicContact NE-OD1 2.68Å; R685-D692 PolarHBondContact NE-OD1 3.26Å; R685-D692 IonicContact NE-OD2 3.59Å; R685-D692 PolarHBondContact NE-OD2 3.33Å; R685-D692 IonicContact NH2-OD1 3.76Å; R685-D692 PolarHBondContact NH2-OD1 3.04Å; R685-D692 IonicContact NH2-OD2 2.76Å
686	R	84.4	Confident	83.2	Confident	63 Å²	63	55.9 Å²	55.9	24%	0.238	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.9	179.2	-71.8	-167.1	179.5	-99.9	-9.6	113.1	H688 F713 E716 E727 G1021	R686-H688 VanDerWaalsContact C-N 3.3Å; R686-H688 PolarHBondContact O-N 3.21Å; R686-F713 HydrophobicContact CG-CD1 3.73Å; R686-F713 HydrophobicContact CG-CE1 4.04Å; R686-F713 HydrophobicContact CG-CG 4.44Å; R686-E716 IonicContact CZ-OE1 3.79Å; R686-E716 IonicContact CZ-OE2 2.78Å; R686-E716 IonicContact NE-OE1 3.88Å; R686-E716 PolarHBondContact NE-OE1 3.17Å; R686-E716 IonicContact NE-OE2 3.48Å; R686-E716 IonicContact NH2-OE1 3.29Å; R686-E716 PolarHBondContact NH2-OE1 2.65Å; R686-E716 IonicContact NH2-OE2 2.76Å; R686-E716 PolarHBondContact NH2-OE2 3.14Å; R686-E727 IonicContact CZ-OE1 3.88Å; R686-E727 VanDerWaalsContact CZ-OE1 3.29Å; R686-E727 IonicContact NH1-OE1 3.84Å; R686-E727 PolarHBondContact NH1-OE1 2.87Å; R686-E727 IonicContact NH2-OE1 3.86Å; R686-E727 PolarHBondContact NH2-OE1 3.31Å; R686-E727 IonicContact NH2-OE2 2.7Å; R686-G1021 VanDerWaalsContact CZ-CA 3.5Å
687	N	84.8	Confident	84.8	Confident	146 Å²	146	48.4 Å²	48.4	78%	0.781	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-79.1	-7.4	-177.2	-61.2	-14.5	0	0	0	114.4	R685	R685-N687 PolarHBondContact O-N 3.42Å; R685-N687 VanDerWaalsContact O-N 3.15Å
688	H	88.2	Confident	86.1	Confident	84 Å²	84	46 Å²	46	39%	0.389	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-137.4	33.2	-177.2	-60.3	84	0	0	0	111.2	R685 R686 I690 E691 D692	R685-H688 HydrophobicContact CB-CB 4.46Å; R685-H688 CarbonylContact O-C 3.56Å; R685-H688 PolarHBondContact O-N 3.47Å; R686-H688 VanDerWaalsContact C-N 3.3Å; R686-H688 PolarHBondContact O-N 3.21Å; H688-I690 PolarHBondContact O-N 2.93Å; H688-E691 IonicContact CD2-OE2 3.63Å; H688-E691 PolarHBondContact O-N 2.66Å; H688-D692 WeakPolarHBondContact O-CB 3.4Å; H688-D692 PolarHBondContact O-N 2.99Å
689	L	89.1	Confident	86.6	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-52.8	-167.2	-174.7	61	0	0	0	112.5	V684 R685 E691 V693 F713 F728 C731 L732	V684-L689 HydrophobicContact CB-CD1 3.83Å; V684-L689 HydrophobicContact CG1-CD1 4.35Å; V684-L689 HydrophobicContact CG2-CD1 3.58Å; R685-L689 PolarHBondContact O-N 2.91Å; R685-L689 VanDerWaalsContact O-N 3.11Å; L689-E691 PolarHBondContact O-N 2.89Å; L689-V693 HydrophobicContact CD1-CG2 4.45Å; L689-V693 WeakPolarHBondContact O-CB 3.39Å; L689-V693 WeakPolarHBondContact O-CG2 3.26Å; L689-V693 PolarHBondContact O-N 3.28Å; L689-V693 VanDerWaalsContact O-N 3.08Å; L689-F713 HydrophobicContact CD1-CE1 4.07Å; L689-F728 HydrophobicContact CD1-CD2 4.02Å; L689-F728 HydrophobicContact CD1-CE2 3.91Å; L689-C731 HydrophobicContact CD2-CB 3.78Å; L689-L732 HydrophobicContact CD2-CB 3.96Å; L689-L732 HydrophobicContact CD2-CD1 4.37Å; L689-L732 HydrophobicContact CG-CB 4.44Å; L689-L732 HydrophobicContact CG-CD1 4.06Å
690	I	90.2	Very high	86.4	Confident	18 Å²	18	52 Å²	52	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-42.2	-177.5	-59.2	170.2	0	0	0	111.7	H688 L694 L732 E735 M736 Y741	H688-I690 PolarHBondContact O-N 2.93Å; I690-L694 HydrophobicContact CG2-CD1 3.71Å; I690-L694 HydrophobicContact CG2-CG 4.12Å; I690-L694 WeakPolarHBondContact O-CB 3.5Å; I690-L694 VanDerWaalsContact O-CG 3.25Å; I690-L694 WeakPolarHBondContact O-CG 3.26Å; I690-L694 PolarHBondContact O-N 2.88Å; I690-L732 HydrophobicContact CG1-CD1 3.98Å; I690-E735 HydrophobicContact CD1-CB 3.77Å; I690-E735 HydrophobicContact CG1-CB 4.35Å; I690-M736 HydrophobicContact CD1-CG 3.69Å; I690-M736 HydrophobicContact CG1-CG 3.83Å; I690-M736 HydrophobicContact CG2-CG 4.44Å; I690-Y741 HydrophobicContact CD1-CD2 4Å; I690-Y741 HydrophobicContact CD1-CE2 3.6Å; I690-Y741 HydrophobicContact CG2-CE2 4.41Å; I690-Y741 WeakPolarHBondContact CG2-OH 3.21Å
691	E	89.5	Confident	85.7	Confident	110 Å²	110	54.7 Å²	54.7	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-47.9	-178.7	-175.3	179.5	-178	0	0	111.3	H688 L689 V693 L694 N695	H688-E691 IonicContact CD2-OE2 3.63Å; H688-E691 PolarHBondContact O-N 2.66Å; L689-E691 PolarHBondContact O-N 2.89Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 3.23Å; E691-L694 PolarHBondContact O-N 2.94Å; E691-N695 VanDerWaalsContact O-CB 3.3Å; E691-N695 WeakPolarHBondContact O-CB 3.38Å; E691-N695 PolarHBondContact O-N 2.98Å; E691-N695 PolarHBondContact O-ND2 3.2Å
692	D	92	Very high	85.1	Confident	18 Å²	18	58.5 Å²	58.5	10%	0.096	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-41.6	179.7	-71.4	-12.2	0	0	0	111.2	V684 R685 H688 Q696	V684-D692 HydrophobicContact CB-CB 4.26Å; V684-D692 HydrophobicContact CG1-CB 4.02Å; R685-D692 WeakPolarHBondContact CB-OD2 3.34Å; R685-D692 WeakPolarHBondContact CG-OD2 3.16Å; R685-D692 IonicContact CZ-OD1 2.66Å; R685-D692 IonicContact CZ-OD2 2.81Å; R685-D692 PolarHBondContact N-OD2 2.88Å; R685-D692 IonicContact NE-OD1 2.68Å; R685-D692 PolarHBondContact NE-OD1 3.26Å; R685-D692 IonicContact NE-OD2 3.59Å; R685-D692 PolarHBondContact NE-OD2 3.33Å; R685-D692 IonicContact NH2-OD1 3.76Å; R685-D692 PolarHBondContact NH2-OD1 3.04Å; R685-D692 IonicContact NH2-OD2 2.76Å; H688-D692 WeakPolarHBondContact O-CB 3.4Å; H688-D692 PolarHBondContact O-N 2.99Å; D692-Q696 WeakPolarHBondContact O-CB 3.37Å; D692-Q696 WeakPolarHBondContact O-CG 3.46Å; D692-Q696 PolarHBondContact O-N 3.21Å; D692-Q696 VanDerWaalsContact O-N 3.09Å; D692-Q696 PolarHBondContact O-NE2 2.99Å; D692-Q696 VanDerWaalsContact O-NE2 3.07Å
693	V	91.5	Very high	84.5	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-49.4	177.7	170.8	0	0	0	0	111.6	V684 L689 E691 N695 Q696 L697 F728 L732 L772	V684-V693 HydrophobicContact CG1-CG2 3.65Å; L689-V693 HydrophobicContact CD1-CG2 4.45Å; L689-V693 WeakPolarHBondContact O-CB 3.39Å; L689-V693 WeakPolarHBondContact O-CG2 3.26Å; L689-V693 PolarHBondContact O-N 3.28Å; L689-V693 VanDerWaalsContact O-N 3.08Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 3.23Å; V693-N695 VanDerWaalsContact C-N 3.34Å; V693-N695 PolarHBondContact O-N 3Å; V693-Q696 PolarHBondContact O-N 3.47Å; V693-L697 HydrophobicContact CG1-CD1 3.65Å; V693-L697 HydrophobicContact CG1-CG 4.18Å; V693-L697 WeakPolarHBondContact O-CB 3.49Å; V693-L697 VanDerWaalsContact O-CG 3.3Å; V693-L697 WeakPolarHBondContact O-CG 3.28Å; V693-L697 PolarHBondContact O-N 3.41Å; V693-F728 HydrophobicContact CG2-CE2 3.57Å; V693-F728 HydrophobicContact CG2-CZ 3.64Å; V693-L732 HydrophobicContact CB-CD1 4.49Å; V693-L732 HydrophobicContact CG1-CD2 4.21Å; V693-L732 HydrophobicContact CG2-CD1 4.29Å; V693-L732 HydrophobicContact CG2-CD2 4.46Å; V693-L772 HydrophobicContact CG1-CD1 4.32Å; V693-L772 HydrophobicContact CG1-CD2 3.96Å
694	L	89.6	Confident	83.7	Confident	20 Å²	20	61.5 Å²	61.5	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-38.8	-178.4	-69.9	179.3	0	0	0	111.8	I690 E691 S698 F768	I690-L694 HydrophobicContact CG2-CD1 3.71Å; I690-L694 HydrophobicContact CG2-CG 4.12Å; I690-L694 WeakPolarHBondContact O-CB 3.5Å; I690-L694 VanDerWaalsContact O-CG 3.25Å; I690-L694 WeakPolarHBondContact O-CG 3.26Å; I690-L694 PolarHBondContact O-N 2.88Å; E691-L694 PolarHBondContact O-N 2.94Å; L694-S698 WeakPolarHBondContact O-CB 3.5Å; L694-S698 PolarHBondContact O-N 3.25Å; L694-F768 HydrophobicContact CD2-CB 3.56Å; L694-F768 HydrophobicContact CD2-CD2 3.94Å; L694-F768 HydrophobicContact CD2-CG 3.93Å
695	N	87.9	Confident	83.2	Confident	83 Å²	83	61.6 Å²	61.6	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.5	-74.9	-22.3	0	0	0	111.3	E691 V693 S698	E691-N695 VanDerWaalsContact O-CB 3.3Å; E691-N695 WeakPolarHBondContact O-CB 3.38Å; E691-N695 PolarHBondContact O-N 2.98Å; E691-N695 PolarHBondContact O-ND2 3.2Å; V693-N695 VanDerWaalsContact C-N 3.34Å; V693-N695 PolarHBondContact O-N 3Å; N695-S698 PolarHBondContact O-N 3.05Å; N695-S698 PolarHBondContact O-OG 3.18Å
696	Q	89	Confident	82.7	Confident	36 Å²	36	60.4 Å²	60.4	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-47.5	176.5	-76	170.8	76.4	0	0	111.8	L682 T683 D692 V693 S698 Q699 F700	L682-Q696 HydrophobicContact CD2-CB 3.78Å; T683-Q696 VanDerWaalsContact N-OE1 3.11Å; T683-Q696 PolarHBondContact O-NE2 2.92Å; D692-Q696 WeakPolarHBondContact O-CB 3.37Å; D692-Q696 WeakPolarHBondContact O-CG 3.46Å; D692-Q696 PolarHBondContact O-N 3.21Å; D692-Q696 VanDerWaalsContact O-N 3.09Å; D692-Q696 PolarHBondContact O-NE2 2.99Å; D692-Q696 VanDerWaalsContact O-NE2 3.07Å; V693-Q696 PolarHBondContact O-N 3.47Å; Q696-S698 PolarHBondContact O-N 2.94Å; Q696-Q699 WeakPolarHBondContact O-CB 3.29Å; Q696-Q699 PolarHBondContact O-N 3.19Å; Q696-F700 WeakPolarHBondContact O-CD2 3.44Å
697	L	86.1	Confident	82.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-32.7	178.3	-73.4	174.1	0	0	0	113.2	F680 V693 Q699 F700 L705 F768 L771 L772	F680-L697 HydrophobicContact CE1-CD2 4.22Å; F680-L697 HydrophobicContact CZ-CD2 3.68Å; V693-L697 HydrophobicContact CG1-CD1 3.65Å; V693-L697 HydrophobicContact CG1-CG 4.18Å; V693-L697 WeakPolarHBondContact O-CB 3.49Å; V693-L697 VanDerWaalsContact O-CG 3.3Å; V693-L697 WeakPolarHBondContact O-CG 3.28Å; V693-L697 PolarHBondContact O-N 3.41Å; L697-Q699 PolarHBondContact O-N 3.43Å; L697-F700 PolarHBondContact O-N 3.47Å; L697-L705 HydrophobicContact CD2-CD1 4.34Å; L697-F768 HydrophobicContact CB-CD1 3.85Å; L697-F768 HydrophobicContact CB-CE1 3.9Å; L697-F768 HydrophobicContact CD1-CD1 4.32Å; L697-L771 HydrophobicContact CD2-CD2 3.95Å; L697-L772 HydrophobicContact CD1-CD1 4.35Å; L697-L772 HydrophobicContact CD1-CD2 3.88Å; L697-L772 HydrophobicContact CD1-CG 3.96Å
698	S	83.7	Confident	82.5	Confident	51 Å²	51	55 Å²	55	36%	0.357	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-29.3	177	78	0	0	0	0	113.1	L694 N695 Q696 F700	L694-S698 WeakPolarHBondContact O-CB 3.5Å; L694-S698 PolarHBondContact O-N 3.25Å; N695-S698 PolarHBondContact O-N 3.05Å; N695-S698 PolarHBondContact O-OG 3.18Å; Q696-S698 PolarHBondContact O-N 2.94Å; S698-F700 VanDerWaalsContact C-N 3.31Å; S698-F700 PolarHBondContact O-N 3.4Å
699	Q	78.6	Confident	82.4	Confident	143 Å²	143	51 Å²	51	67%	0.668	25%	0.25	S	S	*	.	H	α-helix	trans	-73.5	-25.5	178.5	-61.1	174.4	10.6	0	0	112.1	Q696 L697	Q696-Q699 WeakPolarHBondContact O-CB 3.29Å; Q696-Q699 PolarHBondContact O-N 3.19Å; L697-Q699 PolarHBondContact O-N 3.43Å
700	F	71.3	Confident	82.2	Confident	49 Å²	49	56 Å²	56	22%	0.215	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	20.1	-178.1	-60.4	-77.5	0	0	0	113.5	F680 Q696 L697 S698 N702 E703 L705 K889	F680-F700 HydrophobicContact CD2-CD2 4.23Å; F680-F700 HydrophobicContact CD2-CE2 4.19Å; F680-F700 HydrophobicContact CD2-CZ 4.43Å; F680-F700 AromaticContact CE2-CD2 3.5Å; F680-F700 HydrophobicContact CE2-CD2 3.5Å; F680-F700 AromaticContact CE2-CE2 3.68Å; F680-F700 HydrophobicContact CE2-CE2 3.68Å; F680-F700 HydrophobicContact CE2-CG 4.07Å; F680-F700 HydrophobicContact CE2-CZ 4.36Å; F680-F700 HydrophobicContact CZ-CD2 4.44Å; Q696-F700 WeakPolarHBondContact O-CD2 3.44Å; L697-F700 PolarHBondContact O-N 3.47Å; S698-F700 VanDerWaalsContact C-N 3.31Å; S698-F700 PolarHBondContact O-N 3.4Å; F700-N702 PolarHBondContact O-N 2.83Å; F700-E703 HydrophobicContact CB-CB 4.19Å; F700-E703 HydrophobicContact CD1-CB 4.18Å; F700-E703 HydrophobicContact CD1-CG 4.16Å; F700-E703 PolarHBondContact O-N 2.91Å; F700-L705 HydrophobicContact CB-CD1 4.34Å; F700-L705 HydrophobicContact CB-CD2 3.47Å; F700-L705 VanDerWaalsContact CB-CD2 3.47Å; F700-L705 HydrophobicContact CB-CG 4.2Å; F700-L705 HydrophobicContact CD1-CD2 4.25Å; F700-L705 HydrophobicContact CG-CD2 3.85Å; F700-K889 PolarHBondContact O-NZ 3.09Å
701	E	68.4	Low	82	Confident	62 Å²	62	55.3 Å²	55.3	29%	0.29	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.7	-175.2	-177.2	171.2	-160.4	0	0	113.1	K764 K889	E701-K764 WeakPolarHBondContact OE1-CE 3.21Å; E701-K764 IonicContact OE1-NZ 3.79Å; E701-K764 PolarHBondContact OE1-NZ 3.28Å; E701-K764 VanDerWaalsContact OE1-NZ 3.15Å; E701-K764 WeakPolarHBondContact OE2-CE 3.44Å; E701-K764 IonicContact OE2-NZ 2.72Å; E701-K764 PolarHBondContact OE2-NZ 3.09Å; E701-K889 PolarHBondContact O-NZ 3.23Å
702	N	70.1	Confident	81.7	Confident	163 Å²	163	52 Å²	52	87%	0.872	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	0.8	178.7	-64.3	-41.6	0	0	0	113.3	F700	F700-N702 PolarHBondContact O-N 2.83Å
703	E	74.9	Confident	81.3	Confident	89 Å²	89	51.7 Å²	51.7	42%	0.416	25%	0.252	S	S	.	.	S	Bend	trans	-89.6	154	178.3	-70.2	-146.8	-177.9	0	0	112.7	F700 L705 K707 K889	F700-E703 HydrophobicContact CB-CB 4.19Å; F700-E703 HydrophobicContact CD1-CB 4.18Å; F700-E703 HydrophobicContact CD1-CG 4.16Å; F700-E703 PolarHBondContact O-N 2.91Å; E703-L705 PolarHBondContact O-N 3.42Å; E703-K707 IonicContact OE2-NZ 3.87Å; E703-K707 PolarHBondContact OE2-NZ 3.42Å; E703-K889 WeakPolarHBondContact O-CE 3.29Å; E703-K889 PolarHBondContact O-NZ 3.04Å
704	D	70.3	Confident	80.8	Confident	44 Å²	44	55.3 Å²	55.3	24%	0.235	28%	0.278	C	S	.	.			trans	-82.8	103.1	169.9	-167.8	-11.2	0	0	0	109.7	K655 R706 K707	K655-D704 WeakPolarHBondContact CE-OD2 3.3Å; K655-D704 IonicContact NZ-OD2 2.87Å; K655-D704 PolarHBondContact NZ-OD2 3.15Å; D704-R706 VanDerWaalsContact C-N 3.27Å; D704-R706 PolarHBondContact O-N 3.42Å; D704-R706 VanDerWaalsContact OD1-CB 3.3Å; D704-R706 WeakPolarHBondContact OD1-CB 3.47Å; D704-R706 WeakPolarHBondContact OD1-CG 3.36Å; D704-R706 IonicContact OD1-CZ 2.91Å; D704-R706 PolarHBondContact OD1-N 3.23Å; D704-R706 VanDerWaalsContact OD1-N 3.16Å; D704-R706 IonicContact OD1-NE 3.32Å; D704-R706 PolarHBondContact OD1-NE 2.65Å; D704-R706 IonicContact OD1-NH2 3.59Å; D704-R706 IonicContact OD2-CZ 2.76Å; D704-R706 IonicContact OD2-NE 3.51Å; D704-R706 PolarHBondContact OD2-NE 3.11Å; D704-R706 IonicContact OD2-NH2 3.66Å; D704-R706 PolarHBondContact OD2-NH2 3.12Å; D704-K707 WeakPolarHBondContact O-CE 3.24Å
705	L	78.5	Confident	80	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	32%	0.315	C	S	.	.			trans	-84.5	6.5	-178.5	-62.3	171.3	0	0	0	113.3	F680 L697 F700 E703 K707 L771 M890	F680-L705 HydrophobicContact CD1-CD2 4.2Å; F680-L705 HydrophobicContact CD2-CD2 3.6Å; F680-L705 HydrophobicContact CE1-CD2 4.21Å; F680-L705 HydrophobicContact CE2-CD2 3.63Å; F680-L705 HydrophobicContact CG-CD2 3.93Å; F680-L705 HydrophobicContact CZ-CD2 3.94Å; L697-L705 HydrophobicContact CD2-CD1 4.34Å; F700-L705 HydrophobicContact CB-CD1 4.34Å; F700-L705 HydrophobicContact CB-CD2 3.47Å; F700-L705 VanDerWaalsContact CB-CD2 3.47Å; F700-L705 HydrophobicContact CB-CG 4.2Å; F700-L705 HydrophobicContact CD1-CD2 4.25Å; F700-L705 HydrophobicContact CG-CD2 3.85Å; E703-L705 PolarHBondContact O-N 3.42Å; L705-K707 PolarHBondContact O-N 2.87Å; L705-L771 HydrophobicContact CD1-CD1 4.46Å; L705-L771 HydrophobicContact CD1-CD2 4.01Å; L705-M890 HydrophobicContact CB-CE 3.5Å; L705-M890 VanDerWaalsContact CB-CE 3.5Å; L705-M890 HydrophobicContact CB-SD 3.95Å; L705-M890 HydrophobicContact CD1-CE 3.86Å; L705-M890 HydrophobicContact CG-CE 4.17Å
706	R	78.6	Confident	79.5	Confident	83 Å²	83	57.5 Å²	57.5	31%	0.313	31%	0.308	S	S	.	.			trans	-76	55.7	175.9	-61.4	174.1	-65	177.3	0.9	111.2	K655 D704 F778 M890	K655-R706 WeakPolarHBondContact CG-O 3.48Å; D704-R706 VanDerWaalsContact C-N 3.27Å; D704-R706 PolarHBondContact O-N 3.42Å; D704-R706 VanDerWaalsContact OD1-CB 3.3Å; D704-R706 WeakPolarHBondContact OD1-CB 3.47Å; D704-R706 WeakPolarHBondContact OD1-CG 3.36Å; D704-R706 IonicContact OD1-CZ 2.91Å; D704-R706 PolarHBondContact OD1-N 3.23Å; D704-R706 VanDerWaalsContact OD1-N 3.16Å; D704-R706 IonicContact OD1-NE 3.32Å; D704-R706 PolarHBondContact OD1-NE 2.65Å; D704-R706 IonicContact OD1-NH2 3.59Å; D704-R706 IonicContact OD2-CZ 2.76Å; D704-R706 IonicContact OD2-NE 3.51Å; D704-R706 PolarHBondContact OD2-NE 3.11Å; D704-R706 IonicContact OD2-NH2 3.66Å; D704-R706 PolarHBondContact OD2-NH2 3.12Å; R706-F778 HydrophobicContact CB-CE2 4.15Å; R706-F778 HydrophobicContact CB-CZ 3.82Å; R706-F778 HydrophobicContact CG-CE2 4.1Å; R706-F778 HydrophobicContact CG-CZ 4.25Å; R706-M890 HydrophobicContact CG-SD 4.29Å
707	K	82.6	Confident	78.1	Confident	44 Å²	44	63.7 Å²	63.7	19%	0.191	34%	0.34	C	S	.	.	S	Bend	trans	-121.3	174.2	-178.9	-66.1	174.7	-172.7	168.6	0	108.4	K655 P678 F680 E703 D704 L705 L709	K655-K707 HydrophobicContact CG-CG 4.48Å; P678-K707 HydrophobicContact CB-CD 4.14Å; P678-K707 HydrophobicContact CB-CG 4.4Å; P678-K707 WeakPolarHBondContact O-CB 3.26Å; F680-K707 HydrophobicContact CB-CB 4.42Å; E703-K707 IonicContact OE2-NZ 3.87Å; E703-K707 PolarHBondContact OE2-NZ 3.42Å; D704-K707 WeakPolarHBondContact O-CE 3.24Å; L705-K707 PolarHBondContact O-N 2.87Å; K707-L709 PolarHBondContact O-N 3.37Å
708	E	81.4	Confident	76.6	Confident	53 Å²	53	65.4 Å²	65.4	25%	0.248	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.2	175.8	-173	162.3	-151.5	0	0	110.1	I652 K656 T679 F680	I652-E708 HydrophobicContact CG2-CB 4.14Å; K656-E708 WeakPolarHBondContact CE-OE2 3.49Å; K656-E708 IonicContact NZ-OE1 3.63Å; K656-E708 IonicContact NZ-OE2 3.93Å; K656-E708 PolarHBondContact NZ-OE2 2.89Å; T679-E708 CarbonylContact C-O 3.48Å; T679-E708 WeakPolarHBondContact CA-O 3.16Å; F680-E708 PolarHBondContact N-O 2.92Å
709	L	86.4	Confident	75.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.3	177.4	171.8	67.1	0	0	0	109.5	F680 L682 K707 V711 K725 F729 L775 N779	F680-L709 HydrophobicContact CD1-CD1 3.54Å; F680-L709 HydrophobicContact CE1-CD1 3.85Å; F680-L709 HydrophobicContact CG-CD1 4.41Å; F680-L709 CarbonylContact O-C 3.58Å; F680-L709 WeakPolarHBondContact O-CA 3.41Å; L682-L709 HydrophobicContact CD1-CD1 3.86Å; L682-L709 HydrophobicContact CG-CD1 4.12Å; K707-L709 PolarHBondContact O-N 3.37Å; L709-V711 HydrophobicContact CD1-CG2 4.02Å; L709-V711 HydrophobicContact CD2-CG2 4.08Å; L709-V711 HydrophobicContact CG-CG2 3.9Å; L709-K725 WeakPolarHBondContact O-CE 3.31Å; L709-K725 PolarHBondContact O-NZ 3.03Å; L709-F729 HydrophobicContact CD2-CE2 3.82Å; L709-F729 HydrophobicContact CD2-CZ 3.7Å; L709-L775 HydrophobicContact CD1-CD2 4.24Å; L709-L775 HydrophobicContact CD2-CD2 4.09Å; L709-L775 HydrophobicContact CD2-CG 4.18Å; L709-N779 WeakPolarHBondContact CB-OD1 3.44Å
710	W	84.7	Confident	74.4	Confident	106 Å²	106	66 Å²	66	40%	0.402	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.2	171.4	-85.9	65.5	0	0	0	108.8	T679 F680 D681 L682 D720	T679-W710 VanDerWaalsContact CG2-CD1 3.49Å; T679-W710 HydrophobicContact CG2-CG 4.27Å; F680-W710 PolarHBondContact O-N 3.43Å; D681-W710 CarbonylContact C-O 3.47Å; D681-W710 WeakPolarHBondContact CA-O 3.45Å; D681-W710 VanDerWaalsContact OD1-CB 3.29Å; D681-W710 WeakPolarHBondContact OD1-CB 3.43Å; L682-W710 PolarHBondContact N-O 3.28Å; W710-D720 HydrophobicContact CD2-CB 3.44Å; W710-D720 VanDerWaalsContact CD2-CB 3.44Å; W710-D720 HydrophobicContact CE3-CB 3.14Å; W710-D720 HydrophobicContact CG-CB 4.16Å; W710-D720 HydrophobicContact CH2-CB 3.69Å; W710-D720 HydrophobicContact CZ2-CB 3.98Å; W710-D720 HydrophobicContact CZ3-CB 3.27Å
711	V	85.9	Confident	74.1	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.8	179	-174.6	0	0	0	0	110.5	L682 L709 D720 V724 K725 F728	L682-V711 WeakPolarHBondContact O-CA 3.38Å; L709-V711 HydrophobicContact CD1-CG2 4.02Å; L709-V711 HydrophobicContact CD2-CG2 4.08Å; L709-V711 HydrophobicContact CG-CG2 3.9Å; V711-D720 PolarHBondContact N-OD1 3.12Å; V711-V724 HydrophobicContact CB-CG1 4.47Å; V711-K725 HydrophobicContact CG2-CG 4.36Å; V711-F728 HydrophobicContact CB-CG 4.46Å; V711-F728 HydrophobicContact CG1-CB 3.8Å; V711-F728 HydrophobicContact CG1-CD1 4.31Å; V711-F728 HydrophobicContact CG1-CD2 3.65Å; V711-F728 HydrophobicContact CG1-CE2 4.3Å; V711-F728 HydrophobicContact CG1-CG 3.64Å; V711-F728 HydrophobicContact CG2-CD1 4Å; V711-F728 HydrophobicContact CG2-CE1 4.41Å; V711-F728 HydrophobicContact CG2-CG 4.17Å
712	S	84	Confident	74.2	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.2	174	68.4	0	0	0	0	112	L682 T683 V684	L682-S712 PolarHBondContact O-N 3.08Å; T683-S712 WeakPolarHBondContact CA-O 3.4Å; T683-S712 PolarHBondContact OG1-OG 3.47Å; T683-S712 VanDerWaalsContact OG1-OG 3.13Å; V684-S712 PolarHBondContact N-O 3.41Å
713	F	83.6	Confident	74.3	Confident	10 Å²	10	60.1 Å²	60.1	4%	0.044	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.7	171.1	-73	-75.6	0	0	0	109.8	V684 R686 L689 G715 E716 V724 F728	V684-F713 HydrophobicContact CG2-CD1 3.76Å; V684-F713 HydrophobicContact CG2-CE1 3.76Å; V684-F713 CarbonylContact O-C 3.43Å; V684-F713 WeakPolarHBondContact O-CA 3.33Å; R686-F713 HydrophobicContact CG-CD1 3.73Å; R686-F713 HydrophobicContact CG-CE1 4.04Å; R686-F713 HydrophobicContact CG-CG 4.44Å; L689-F713 HydrophobicContact CD1-CE1 4.07Å; F713-G715 PolarHBondContact O-N 3.26Å; F713-E716 HydrophobicContact CB-CB 4.22Å; F713-E716 HydrophobicContact CB-CG 4.25Å; F713-E716 PolarHBondContact O-N 2.95Å; F713-E716 VanDerWaalsContact O-N 3.11Å; F713-V724 HydrophobicContact CD2-CG1 4.4Å; F713-V724 HydrophobicContact CE2-CG1 4.39Å; F713-F728 HydrophobicContact CZ-CB 4.34Å
714	S	81.8	Confident	74.5	Confident	78 Å²	78	56.1 Å²	56.1	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	121	-176.2	-166.7	0	0	0	0	111.2	V684	V684-S714 PolarHBondContact O-N 3.38Å
715	G	73	Confident	75.2	Confident	86 Å²	86	55.4 Å²	55.4	89%	0.887	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-2.4	-178.5	0	0	0	0	0	115.3	F713	F713-G715 PolarHBondContact O-N 3.26Å
716	E	76	Confident	75.5	Confident	62 Å²	62	57.7 Å²	57.7	29%	0.29	31%	0.311	S	S	.	.	S	Bend	trans	-103.4	140.5	175.9	-69.6	172.9	-144.9	0	0	111	R686 F713 G718	R686-E716 IonicContact CZ-OE1 3.79Å; R686-E716 IonicContact CZ-OE2 2.78Å; R686-E716 IonicContact NE-OE1 3.88Å; R686-E716 PolarHBondContact NE-OE1 3.17Å; R686-E716 IonicContact NE-OE2 3.48Å; R686-E716 IonicContact NH2-OE1 3.29Å; R686-E716 PolarHBondContact NH2-OE1 2.65Å; R686-E716 IonicContact NH2-OE2 2.76Å; R686-E716 PolarHBondContact NH2-OE2 3.14Å; F713-E716 HydrophobicContact CB-CB 4.22Å; F713-E716 HydrophobicContact CB-CG 4.25Å; F713-E716 PolarHBondContact O-N 2.95Å; F713-E716 VanDerWaalsContact O-N 3.11Å; E716-G718 VanDerWaalsContact C-N 3.28Å; E716-G718 PolarHBondContact O-N 3.13Å
717	I	59.4	Low	75.8	Confident	166 Å²	166	54.1 Å²	54.1	85%	0.851	30%	0.297	S	S	*	.			trans	-81.6	78.1	174.2	-53.1	173	0	0	0	107.9
718	G	55.4	Low	76	Confident	38 Å²	38	52 Å²	52	39%	0.392	29%	0.288	S	S	.	.			trans	-106.5	116	178.3	0	0	0	0	0	111.9	E716	E716-G718 VanDerWaalsContact C-N 3.28Å; E716-G718 PolarHBondContact O-N 3.13Å
719	Y	58	Low	76.5	Confident	183 Å²	183	49.5 Å²	49.5	72%	0.718	28%	0.276	S	S	*	.			trans	-73.8	142	155.8	-67.1	-84.8	0	0	0	108	L721	Y719-L721 VanDerWaalsContact C-N 3.34Å; Y719-L721 WeakPolarHBondContact O-CG 3.49Å; Y719-L721 PolarHBondContact O-N 3.45Å
720	D	57.2	Low	76.6	Confident	24 Å²	24	50.8 Å²	50.8	13%	0.128	28%	0.281	C	S	.	.			trans	-65	92	178.5	-178	51.6	0	0	0	110.9	W710 V711 K725	W710-D720 HydrophobicContact CD2-CB 3.44Å; W710-D720 VanDerWaalsContact CD2-CB 3.44Å; W710-D720 HydrophobicContact CE3-CB 3.14Å; W710-D720 HydrophobicContact CG-CB 4.16Å; W710-D720 HydrophobicContact CH2-CB 3.69Å; W710-D720 HydrophobicContact CZ2-CB 3.98Å; W710-D720 HydrophobicContact CZ3-CB 3.27Å; V711-D720 PolarHBondContact N-OD1 3.12Å; D720-K725 WeakPolarHBondContact OD1-CE 3.38Å; D720-K725 IonicContact OD1-NZ 2.71Å; D720-K725 WeakPolarHBondContact OD2-CE 3.23Å; D720-K725 IonicContact OD2-NZ 3.48Å; D720-K725 PolarHBondContact OD2-NZ 3.12Å
721	L	66.2	Low	76.7	Confident	57 Å²	57	46 Å²	46	30%	0.298	26%	0.264	S	S	.	.			trans	-114.4	152	-178.9	-62.7	167.2	0	0	0	108.9	Y719 G723 V724 C993 F994	Y719-L721 VanDerWaalsContact C-N 3.34Å; Y719-L721 WeakPolarHBondContact O-CG 3.49Å; Y719-L721 PolarHBondContact O-N 3.45Å; L721-G723 PolarHBondContact O-N 2.83Å; L721-V724 HydrophobicContact CB-CG2 4.4Å; L721-V724 WeakPolarHBondContact O-CB 3.27Å; L721-V724 PolarHBondContact O-N 2.77Å; L721-C993 HydrophobicContact CB-CB 3.74Å; L721-C993 WeakPolarHBondContact CB-SG 3.43Å; L721-C993 HydrophobicContact CD1-CB 4.38Å; L721-F994 HydrophobicContact CD2-CE2 4.41Å
722	V	70.1	Confident	77	Confident	92 Å²	92	45.8 Å²	45.8	56%	0.558	26%	0.263	S	S	*	.	H	α-helix	trans	-50.2	-34.2	-175.4	176.2	0	0	0	0	113.4	R726	V722-R726 WeakPolarHBondContact O-CG 3.48Å; V722-R726 PolarHBondContact O-N 2.82Å
723	G	73.1	Confident	77.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.8	-32.1	176.9	0	0	0	0	0	114.2	L721 R726 E727 T992 C993	L721-G723 PolarHBondContact O-N 2.83Å; G723-R726 PolarHBondContact O-N 3.02Å; G723-E727 PolarHBondContact O-N 3.44Å; G723-T992 WeakPolarHBondContact CA-OG1 3.38Å; G723-C993 WeakPolarHBondContact CA-SG 3.38Å; G723-C993 PolarHBondContact N-SG 3.03Å
724	V	79.3	Confident	77.7	Confident	5 Å²	5	45 Å²	45	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-43.4	177.8	-175.4	0	0	0	0	110.4	V711 F713 L721 E727 F728 F1022	V711-V724 HydrophobicContact CB-CG1 4.47Å; F713-V724 HydrophobicContact CD2-CG1 4.4Å; F713-V724 HydrophobicContact CE2-CG1 4.39Å; L721-V724 HydrophobicContact CB-CG2 4.4Å; L721-V724 WeakPolarHBondContact O-CB 3.27Å; L721-V724 PolarHBondContact O-N 2.77Å; V724-E727 PolarHBondContact O-N 3.33Å; V724-F728 VanDerWaalsContact O-CB 3.29Å; V724-F728 WeakPolarHBondContact O-CB 3.42Å; V724-F728 PolarHBondContact O-N 3.36Å; V724-F1022 VanDerWaalsContact CA-CZ 3.44Å; V724-F1022 HydrophobicContact CB-CE2 3.9Å; V724-F1022 HydrophobicContact CB-CZ 3.92Å; V724-F1022 HydrophobicContact CG1-CE2 3.99Å; V724-F1022 HydrophobicContact CG2-CD2 4.28Å; V724-F1022 HydrophobicContact CG2-CE1 3.97Å; V724-F1022 HydrophobicContact CG2-CE2 3.56Å; V724-F1022 HydrophobicContact CG2-CZ 3.41Å; V724-F1022 VanDerWaalsContact CG2-CZ 3.41Å
725	K	84.4	Confident	78.2	Confident	30 Å²	30	44.4 Å²	44.4	13%	0.13	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-42.9	175.8	-61.5	-179.7	-164.6	-179.2	0	111.6	L709 V711 D720 F728 F729	L709-K725 WeakPolarHBondContact O-CE 3.31Å; L709-K725 PolarHBondContact O-NZ 3.03Å; V711-K725 HydrophobicContact CG2-CG 4.36Å; D720-K725 WeakPolarHBondContact OD1-CE 3.38Å; D720-K725 IonicContact OD1-NZ 2.71Å; D720-K725 WeakPolarHBondContact OD2-CE 3.23Å; D720-K725 IonicContact OD2-NZ 3.48Å; D720-K725 PolarHBondContact OD2-NZ 3.12Å; K725-F728 PolarHBondContact O-N 3.41Å; K725-F729 WeakPolarHBondContact O-CD2 3.37Å; K725-F729 PolarHBondContact O-N 3.49Å
726	R	84.1	Confident	79.1	Confident	50 Å²	50	40.4 Å²	40.4	19%	0.189	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-50.4	176.3	-75.6	173.8	175	-155.8	-3.8	111.3	V722 G723 F728 F729 Y730 N781 T959 G960	V722-R726 WeakPolarHBondContact O-CG 3.48Å; V722-R726 PolarHBondContact O-N 2.82Å; G723-R726 PolarHBondContact O-N 3.02Å; R726-F728 PolarHBondContact O-N 3.38Å; R726-F729 PolarHBondContact O-N 2.9Å; R726-Y730 VanDerWaalsContact O-CB 3.24Å; R726-Y730 WeakPolarHBondContact O-CB 3.33Å; R726-Y730 PolarHBondContact O-N 3.02Å; R726-N781 VanDerWaalsContact CG-OD1 3.26Å; R726-N781 WeakPolarHBondContact CG-OD1 3.47Å; R726-T959 WeakPolarHBondContact CD-O 3.28Å; R726-G960 CarbonylContact C-O 3.33Å
727	E	84.4	Confident	79.8	Confident	7 Å²	7	37.9 Å²	37.9	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-41.3	178.3	-175	-179.4	171.9	0	0	111.8	R686 G723 V724 Y730 C731 G960 G1021 F1022	R686-E727 IonicContact CZ-OE1 3.88Å; R686-E727 VanDerWaalsContact CZ-OE1 3.29Å; R686-E727 IonicContact NH1-OE1 3.84Å; R686-E727 PolarHBondContact NH1-OE1 2.87Å; R686-E727 IonicContact NH2-OE1 3.86Å; R686-E727 PolarHBondContact NH2-OE1 3.31Å; R686-E727 IonicContact NH2-OE2 2.7Å; G723-E727 PolarHBondContact O-N 3.44Å; V724-E727 PolarHBondContact O-N 3.33Å; E727-Y730 PolarHBondContact O-N 2.8Å; E727-C731 WeakPolarHBondContact O-CB 3.46Å; E727-C731 PolarHBondContact O-N 3.19Å; E727-C731 PolarHBondContact O-SG 3.04Å; E727-C731 VanDerWaalsContact O-SG 3.35Å; E727-G960 WeakPolarHBondContact CA-O 3.49Å; E727-G960 PolarHBondContact N-O 3.27Å; E727-G1021 PolarHBondContact OE1-N 3.24Å; E727-F1022 HydrophobicContact CB-CE2 4.43Å; E727-F1022 WeakPolarHBondContact OE2-CD2 3.24Å; E727-F1022 WeakPolarHBondContact OE2-CE2 3.23Å; E727-F1022 WeakPolarHBondContact OE2-CZ 3.28Å
728	F	88.4	Confident	81.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-54.7	176.9	165.7	-103.1	0	0	0	112	L682 V684 L689 V693 V711 F713 V724 K725 R726 Y730 C731 L732	L682-F728 HydrophobicContact CD1-CE1 4.23Å; L682-F728 HydrophobicContact CD1-CZ 3.86Å; V684-F728 HydrophobicContact CG1-CE2 4.3Å; V684-F728 HydrophobicContact CG2-CD2 4.17Å; V684-F728 HydrophobicContact CG2-CE2 4.18Å; L689-F728 HydrophobicContact CD1-CD2 4.02Å; L689-F728 HydrophobicContact CD1-CE2 3.91Å; V693-F728 HydrophobicContact CG2-CE2 3.57Å; V693-F728 HydrophobicContact CG2-CZ 3.64Å; V711-F728 HydrophobicContact CB-CG 4.46Å; V711-F728 HydrophobicContact CG1-CB 3.8Å; V711-F728 HydrophobicContact CG1-CD1 4.31Å; V711-F728 HydrophobicContact CG1-CD2 3.65Å; V711-F728 HydrophobicContact CG1-CE2 4.3Å; V711-F728 HydrophobicContact CG1-CG 3.64Å; V711-F728 HydrophobicContact CG2-CD1 4Å; V711-F728 HydrophobicContact CG2-CE1 4.41Å; V711-F728 HydrophobicContact CG2-CG 4.17Å; F713-F728 HydrophobicContact CZ-CB 4.34Å; V724-F728 VanDerWaalsContact O-CB 3.29Å; V724-F728 WeakPolarHBondContact O-CB 3.42Å; V724-F728 PolarHBondContact O-N 3.36Å; K725-F728 PolarHBondContact O-N 3.41Å; R726-F728 PolarHBondContact O-N 3.38Å; F728-Y730 VanDerWaalsContact C-N 3.34Å; F728-Y730 PolarHBondContact O-N 2.86Å; F728-C731 PolarHBondContact O-N 3.18Å; F728-L732 HydrophobicContact CE1-CD2 4.12Å; F728-L732 HydrophobicContact CE2-CD2 4.39Å; F728-L732 HydrophobicContact CZ-CD2 3.8Å; F728-L732 WeakPolarHBondContact O-CB 3.43Å; F728-L732 PolarHBondContact O-N 3.22Å
729	F	90.5	Very high	82.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-40.3	178.9	-76.1	-62.9	0	0	0	111.4	L709 K725 R726 L732 F733 L775 N779 N781	L709-F729 HydrophobicContact CD2-CE2 3.82Å; L709-F729 HydrophobicContact CD2-CZ 3.7Å; K725-F729 WeakPolarHBondContact O-CD2 3.37Å; K725-F729 PolarHBondContact O-N 3.49Å; R726-F729 PolarHBondContact O-N 2.9Å; F729-L732 PolarHBondContact O-N 3.01Å; F729-F733 HydrophobicContact CB-CD2 4.19Å; F729-F733 HydrophobicContact CB-CE2 4.19Å; F729-F733 HydrophobicContact CD1-CD2 4.44Å; F729-F733 AromaticContact CD1-CE2 3.74Å; F729-F733 HydrophobicContact CD1-CE2 3.74Å; F729-F733 HydrophobicContact CD1-CZ 4.47Å; F729-F733 HydrophobicContact CG-CE2 4.36Å; F729-F733 WeakPolarHBondContact O-CB 3.43Å; F729-F733 WeakPolarHBondContact O-CD2 3.46Å; F729-F733 PolarHBondContact O-N 3.23Å; F729-L775 HydrophobicContact CE1-CD2 4.42Å; F729-L775 HydrophobicContact CZ-CB 4.38Å; F729-L775 HydrophobicContact CZ-CD2 4.13Å; F729-L775 HydrophobicContact CZ-CG 4.02Å; F729-N779 HydrophobicContact CE2-CB 4.46Å; F729-N781 WeakPolarHBondContact CB-ND2 3.39Å; F729-N781 HydrophobicContact CD2-CB 4.08Å; F729-N781 WeakPolarHBondContact CD2-ND2 3.48Å; F729-N781 HydrophobicContact CE2-CB 4.49Å
730	Y	88.4	Confident	84.3	Confident	27 Å²	27	33.7 Å²	33.7	11%	0.106	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-54.6	176.5	179.1	-95.3	0	0	0	111.3	R726 E727 F728 L732 E734 V956 D962	R726-Y730 VanDerWaalsContact O-CB 3.24Å; R726-Y730 WeakPolarHBondContact O-CB 3.33Å; R726-Y730 PolarHBondContact O-N 3.02Å; E727-Y730 PolarHBondContact O-N 2.8Å; F728-Y730 VanDerWaalsContact C-N 3.34Å; F728-Y730 PolarHBondContact O-N 2.86Å; Y730-L732 PolarHBondContact O-N 3.35Å; Y730-E734 HydrophobicContact CD1-CG 4.39Å; Y730-E734 HydrophobicContact CD2-CG 4.49Å; Y730-E734 HydrophobicContact CE1-CG 4.1Å; Y730-E734 HydrophobicContact CE2-CG 4.19Å; Y730-E734 VanDerWaalsContact O-CB 3.26Å; Y730-E734 WeakPolarHBondContact O-CB 3.33Å; Y730-E734 WeakPolarHBondContact O-CG 3.49Å; Y730-E734 PolarHBondContact O-N 3.39Å; Y730-V956 HydrophobicContact CD1-CG1 4.3Å; Y730-V956 HydrophobicContact CE1-CG1 3.96Å; Y730-V956 HydrophobicContact CE1-CG2 4.25Å; Y730-V956 HydrophobicContact CE2-CG2 4.21Å; Y730-D962 WeakPolarHBondContact CE2-OD1 3.48Å
731	C	87.9	Confident	85.9	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-43.7	179.3	-68.4	0	0	0	0	112.2	L689 E727 F728 E734 E735	L689-C731 HydrophobicContact CD2-CB 3.78Å; E727-C731 WeakPolarHBondContact O-CB 3.46Å; E727-C731 PolarHBondContact O-N 3.19Å; E727-C731 PolarHBondContact O-SG 3.04Å; E727-C731 VanDerWaalsContact O-SG 3.35Å; F728-C731 PolarHBondContact O-N 3.18Å; C731-E734 PolarHBondContact O-N 3.28Å; C731-E735 PolarHBondContact O-N 2.94Å; C731-E735 VanDerWaalsContact O-N 3.08Å
732	L	91.8	Very high	87	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-50	-178.2	179.2	65.4	0	0	0	111.4	L689 I690 V693 F728 F729 Y730 E735 M736 L772	L689-L732 HydrophobicContact CD2-CB 3.96Å; L689-L732 HydrophobicContact CD2-CD1 4.37Å; L689-L732 HydrophobicContact CG-CB 4.44Å; L689-L732 HydrophobicContact CG-CD1 4.06Å; I690-L732 HydrophobicContact CG1-CD1 3.98Å; V693-L732 HydrophobicContact CB-CD1 4.49Å; V693-L732 HydrophobicContact CG1-CD2 4.21Å; V693-L732 HydrophobicContact CG2-CD1 4.29Å; V693-L732 HydrophobicContact CG2-CD2 4.46Å; F728-L732 HydrophobicContact CE1-CD2 4.12Å; F728-L732 HydrophobicContact CE2-CD2 4.39Å; F728-L732 HydrophobicContact CZ-CD2 3.8Å; F728-L732 WeakPolarHBondContact O-CB 3.43Å; F728-L732 PolarHBondContact O-N 3.22Å; F729-L732 PolarHBondContact O-N 3.01Å; Y730-L732 PolarHBondContact O-N 3.35Å; L732-E735 PolarHBondContact O-N 3.43Å; L732-M736 HydrophobicContact CD1-CG 4.34Å; L732-M736 HydrophobicContact CD1-SD 3.97Å; L732-M736 HydrophobicContact CG-SD 4.03Å; L732-M736 VanDerWaalsContact O-CG 3.27Å; L732-M736 WeakPolarHBondContact O-CG 3.49Å; L732-M736 PolarHBondContact O-N 3.5Å; L732-L772 HydrophobicContact CD2-CD1 3.77Å; L732-L772 HydrophobicContact CD2-CD2 3.68Å; L732-L772 HydrophobicContact CD2-CG 4.28Å
733	F	93.1	Very high	88.1	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-40.5	179.6	-72.4	-61.3	0	0	0	111.6	F729 E735 M736 I737 F769 L772 A783 L785	F729-F733 HydrophobicContact CB-CD2 4.19Å; F729-F733 HydrophobicContact CB-CE2 4.19Å; F729-F733 HydrophobicContact CD1-CD2 4.44Å; F729-F733 AromaticContact CD1-CE2 3.74Å; F729-F733 HydrophobicContact CD1-CE2 3.74Å; F729-F733 HydrophobicContact CD1-CZ 4.47Å; F729-F733 HydrophobicContact CG-CE2 4.36Å; F729-F733 WeakPolarHBondContact O-CB 3.43Å; F729-F733 WeakPolarHBondContact O-CD2 3.46Å; F729-F733 PolarHBondContact O-N 3.23Å; F733-E735 PolarHBondContact O-N 3.38Å; F733-M736 PolarHBondContact O-N 3.31Å; F733-M736 VanDerWaalsContact O-N 3.16Å; F733-I737 VanDerWaalsContact O-CG1 3.27Å; F733-I737 WeakPolarHBondContact O-CG1 3.47Å; F733-I737 WeakPolarHBondContact O-CG2 3.32Å; F733-I737 PolarHBondContact O-N 3.04Å; F733-F769 AromaticContact CD1-CE2 3.83Å; F733-F769 HydrophobicContact CD1-CE2 3.83Å; F733-F769 HydrophobicContact CD1-CZ 4.25Å; F733-F769 HydrophobicContact CE1-CD2 4.34Å; F733-F769 AromaticContact CE1-CE2 3.92Å; F733-F769 HydrophobicContact CE1-CE2 3.92Å; F733-F769 HydrophobicContact CE1-CZ 4.23Å; F733-L772 HydrophobicContact CE1-CB 4.19Å; F733-L772 HydrophobicContact CZ-CB 3.96Å; F733-A783 HydrophobicContact CB-CB 4.5Å; F733-A783 HydrophobicContact CD2-CB 3.27Å; F733-A783 HydrophobicContact CE2-CB 3.6Å; F733-A783 HydrophobicContact CG-CB 4.04Å; F733-L785 HydrophobicContact CB-CD2 4.43Å; F733-L785 HydrophobicContact CD1-CD2 3.65Å; F733-L785 HydrophobicContact CE1-CD2 3.99Å; F733-L785 HydrophobicContact CG-CD2 4.01Å
734	E	89.4	Confident	89.2	Confident	34 Å²	34	29.1 Å²	29.1	16%	0.159	14%	0.143	C	C	.	.	H	α-helix	trans	-56.3	-37	176.1	-80.4	-71.3	121.9	0	0	112.5	Y730 C731 Q738 N784	Y730-E734 HydrophobicContact CD1-CG 4.39Å; Y730-E734 HydrophobicContact CD2-CG 4.49Å; Y730-E734 HydrophobicContact CE1-CG 4.1Å; Y730-E734 HydrophobicContact CE2-CG 4.19Å; Y730-E734 VanDerWaalsContact O-CB 3.26Å; Y730-E734 WeakPolarHBondContact O-CB 3.33Å; Y730-E734 WeakPolarHBondContact O-CG 3.49Å; Y730-E734 PolarHBondContact O-N 3.39Å; C731-E734 PolarHBondContact O-N 3.28Å; E734-Q738 VanDerWaalsContact O-CG 3.25Å; E734-Q738 WeakPolarHBondContact O-CG 3.16Å; E734-Q738 PolarHBondContact O-NE2 3.24Å; E734-N784 PolarHBondContact OE1-ND2 2.69Å
735	E	91.1	Very high	89.8	Confident	65 Å²	65	29.9 Å²	29.9	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-75.8	-42.7	174.4	-69.9	178.9	-154.1	0	0	112.9	I690 C731 L732 F733 I737 Q738	I690-E735 HydrophobicContact CD1-CB 3.77Å; I690-E735 HydrophobicContact CG1-CB 4.35Å; C731-E735 PolarHBondContact O-N 2.94Å; C731-E735 VanDerWaalsContact O-N 3.08Å; L732-E735 PolarHBondContact O-N 3.43Å; F733-E735 PolarHBondContact O-N 3.38Å; E735-I737 VanDerWaalsContact C-N 3.33Å; E735-I737 PolarHBondContact O-N 2.96Å; E735-Q738 PolarHBondContact O-N 2.92Å
736	M	92	Very high	90.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-28.6	-176.4	-71	-175.6	84.9	0	0	113.6	I690 L732 F733 Y741 M743 F769 L772	I690-M736 HydrophobicContact CD1-CG 3.69Å; I690-M736 HydrophobicContact CG1-CG 3.83Å; I690-M736 HydrophobicContact CG2-CG 4.44Å; L732-M736 HydrophobicContact CD1-CG 4.34Å; L732-M736 HydrophobicContact CD1-SD 3.97Å; L732-M736 HydrophobicContact CG-SD 4.03Å; L732-M736 VanDerWaalsContact O-CG 3.27Å; L732-M736 WeakPolarHBondContact O-CG 3.49Å; L732-M736 PolarHBondContact O-N 3.5Å; F733-M736 PolarHBondContact O-N 3.31Å; F733-M736 VanDerWaalsContact O-N 3.16Å; M736-Y741 WeakPolarHBondContact O-CD1 3.38Å; M736-M743 HydrophobicContact CE-SD 3.89Å; M736-F769 HydrophobicContact CB-CE2 4.33Å; M736-F769 HydrophobicContact CE-CB 4.33Å; M736-F769 HydrophobicContact CE-CD2 3.68Å; M736-F769 HydrophobicContact SD-CD2 4.07Å; M736-L772 HydrophobicContact CE-CD1 4.38Å; M736-L772 HydrophobicContact SD-CD1 3.93Å
737	I	91.4	Very high	90.2	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.046	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.1	179.8	71.6	-175.3	0	0	0	112.7	F733 E735 Y746 M753 P786	F733-I737 VanDerWaalsContact O-CG1 3.27Å; F733-I737 WeakPolarHBondContact O-CG1 3.47Å; F733-I737 WeakPolarHBondContact O-CG2 3.32Å; F733-I737 PolarHBondContact O-N 3.04Å; E735-I737 VanDerWaalsContact C-N 3.33Å; E735-I737 PolarHBondContact O-N 2.96Å; I737-Y746 PolarHBondContact O-OH 3.18Å; I737-M753 HydrophobicContact CB-SD 3.89Å; I737-M753 HydrophobicContact CG2-CE 3.67Å; I737-M753 HydrophobicContact CG2-SD 3.63Å; I737-P786 HydrophobicContact CD1-CG 4.29Å
738	Q	89.4	Confident	90.2	Very high	79 Å²	79	33 Å²	33	37%	0.369	17%	0.165	S	C	.	.			trans	-56.7	135	-178.1	-67.8	-50.8	-46.4	0	0	111.9	E734 E735 E740 Y741	E734-Q738 VanDerWaalsContact O-CG 3.25Å; E734-Q738 WeakPolarHBondContact O-CG 3.16Å; E734-Q738 PolarHBondContact O-NE2 3.24Å; E735-Q738 PolarHBondContact O-N 2.92Å; Q738-E740 PolarHBondContact O-N 2.9Å; Q738-E740 VanDerWaalsContact O-N 3.12Å; Q738-Y741 WeakPolarHBondContact O-CB 3.48Å; Q738-Y741 PolarHBondContact O-N 3.04Å
739	P	89.1	Confident	88.9	Confident	70 Å²	70	37.7 Å²	37.7	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.6	175.6	-26.8	34.5	0	0	0	113.3	Y741 G742 Y746	P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3Å; P739-G742 WeakPolarHBondContact O-CA 3.29Å; P739-G742 PolarHBondContact O-N 3.35Å; P739-Y746 HydrophobicContact CB-CD2 4.04Å; P739-Y746 HydrophobicContact CB-CE2 4.12Å; P739-Y746 HydrophobicContact CG-CD2 3.93Å; P739-Y746 HydrophobicContact CG-CE2 3.79Å; P739-Y746 HydrophobicContact CG-CG 4.48Å
740	E	89.4	Confident	87.5	Confident	149 Å²	149	42.7 Å²	42.7	70%	0.696	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.9	179.4	-63.1	71.1	-154.5	0	0	112.7	Q738 G742	Q738-E740 PolarHBondContact O-N 2.9Å; Q738-E740 VanDerWaalsContact O-N 3.12Å; E740-G742 VanDerWaalsContact C-N 3.29Å; E740-G742 PolarHBondContact O-N 3.5Å
741	Y	90.9	Very high	86.8	Confident	45 Å²	45	42.3 Å²	42.3	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-39.3	174.8	-173.5	-109.7	0	0	0	110.4	I690 M736 Q738 P739 M743 K760 F761 R765	I690-Y741 HydrophobicContact CD1-CD2 4Å; I690-Y741 HydrophobicContact CD1-CE2 3.6Å; I690-Y741 HydrophobicContact CG2-CE2 4.41Å; I690-Y741 WeakPolarHBondContact CG2-OH 3.21Å; M736-Y741 WeakPolarHBondContact O-CD1 3.38Å; Q738-Y741 WeakPolarHBondContact O-CB 3.48Å; Q738-Y741 PolarHBondContact O-N 3.04Å; P739-Y741 VanDerWaalsContact C-N 3.32Å; P739-Y741 PolarHBondContact O-N 3Å; Y741-M743 HydrophobicContact CD1-CB 3.64Å; Y741-M743 HydrophobicContact CE1-CB 3.79Å; Y741-M743 HydrophobicContact CE1-SD 4.23Å; Y741-K760 PolarHBondContact O-NZ 3Å; Y741-F761 HydrophobicContact CD1-CE2 4.07Å; Y741-F761 HydrophobicContact CD1-CZ 4.44Å; Y741-F761 AromaticContact CE1-CE2 3.76Å; Y741-F761 HydrophobicContact CE1-CE2 3.76Å; Y741-F761 HydrophobicContact CE1-CZ 4.07Å; Y741-F761 HydrophobicContact CE2-CZ 4.32Å; Y741-F761 AromaticContact CZ-CZ 3.99Å; Y741-F761 WeakPolarHBondContact O-CE2 3.5Å; Y741-F761 WeakPolarHBondContact O-CZ 3.16Å; Y741-R765 PolarHBondContact OH-NH1 3.33Å
742	G	89.9	Confident	86.8	Confident	20 Å²	20	43.1 Å²	43.1	21%	0.206	26%	0.262	C	S	.	.			trans	79.3	25.9	169.9	0	0	0	0	0	114.6	P739 E740	P739-G742 WeakPolarHBondContact O-CA 3.29Å; P739-G742 PolarHBondContact O-N 3.35Å; E740-G742 VanDerWaalsContact C-N 3.29Å; E740-G742 PolarHBondContact O-N 3.5Å
743	M	93.1	Very high	86.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-78.1	-33.5	174.1	-178.8	164	-177.3	0	0	112.7	M736 Y741 F761 Y766 F769	M736-M743 HydrophobicContact CE-SD 3.89Å; Y741-M743 HydrophobicContact CD1-CB 3.64Å; Y741-M743 HydrophobicContact CE1-CB 3.79Å; Y741-M743 HydrophobicContact CE1-SD 4.23Å; M743-F761 HydrophobicContact CB-CD2 4.11Å; M743-F761 HydrophobicContact CB-CE2 4Å; M743-F761 HydrophobicContact CG-CD2 4.45Å; M743-Y766 HydrophobicContact CE-CD1 3.69Å; M743-Y766 HydrophobicContact CE-CE1 4.03Å; M743-Y766 HydrophobicContact CE-CG 4.1Å; M743-Y766 HydrophobicContact CG-CE1 4.1Å; M743-Y766 WeakPolarHBondContact O-CE1 3.32Å; M743-Y766 PolarHBondContact O-OH 2.76Å; M743-F769 HydrophobicContact CE-CB 3.31Å; M743-F769 HydrophobicContact CE-CD1 4.48Å; M743-F769 HydrophobicContact CE-CD2 4.05Å; M743-F769 HydrophobicContact CE-CG 3.71Å; M743-F769 HydrophobicContact SD-CB 4.29Å; M743-F769 HydrophobicContact SD-CD2 4.06Å; M743-F769 HydrophobicContact SD-CG 4.35Å
744	F	94.4	Very high	87	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.053	26%	0.261	C	S	.	.	S	Bend	trans	-120.1	158	179.8	-61.2	-72.4	0	0	0	110.5	Y746 M753 W754 F755 Y766 F769 F787	F744-Y746 HydrophobicContact CB-CE2 4.48Å; F744-M753 HydrophobicContact CB-CB 3.99Å; F744-M753 HydrophobicContact CB-CG 4.38Å; F744-M753 HydrophobicContact CB-SD 4.43Å; F744-M753 HydrophobicContact CD2-CE 4.36Å; F744-M753 HydrophobicContact CD2-SD 3.7Å; F744-M753 HydrophobicContact CE2-CE 4.23Å; F744-M753 HydrophobicContact CE2-SD 4.17Å; F744-M753 HydrophobicContact CG-CB 4.44Å; F744-M753 HydrophobicContact CG-CG 4.3Å; F744-M753 HydrophobicContact CG-SD 4.06Å; F744-W754 WeakPolarHBondContact CA-O 3.07Å; F744-W754 WeakPolarHBondContact CB-O 3.18Å; F744-F755 HydrophobicContact CD1-CD1 4.37Å; F744-F755 AromaticContact CE1-CD1 3.9Å; F744-F755 HydrophobicContact CE1-CD1 3.9Å; F744-F755 AromaticContact CE1-CE1 3.84Å; F744-F755 HydrophobicContact CE1-CE1 3.84Å; F744-Y766 HydrophobicContact CE1-CD1 4.44Å; F744-Y766 HydrophobicContact CE1-CE1 4.33Å; F744-F769 HydrophobicContact CE2-CD1 4.48Å; F744-F769 HydrophobicContact CE2-CD2 4.17Å; F744-F769 HydrophobicContact CE2-CE1 4.08Å; F744-F769 AromaticContact CE2-CE2 3.71Å; F744-F769 HydrophobicContact CE2-CE2 3.71Å; F744-F769 AromaticContact CE2-CZ 3.66Å; F744-F769 HydrophobicContact CE2-CZ 3.66Å; F744-F769 AromaticContact CZ-CD1 3.75Å; F744-F769 HydrophobicContact CZ-CD1 3.75Å; F744-F769 HydrophobicContact CZ-CD2 4.17Å; F744-F769 AromaticContact CZ-CE1 3.54Å; F744-F769 HydrophobicContact CZ-CE1 3.54Å; F744-F769 AromaticContact CZ-CE2 3.96Å; F744-F769 HydrophobicContact CZ-CE2 3.96Å; F744-F769 HydrophobicContact CZ-CG 4.07Å; F744-F769 AromaticContact CZ-CZ 3.64Å; F744-F769 HydrophobicContact CZ-CZ 3.64Å; F744-F787 HydrophobicContact CD1-CE1 4.19Å; F744-F787 HydrophobicContact CD1-CZ 4.14Å; F744-F787 HydrophobicContact CE1-CE1 4.06Å; F744-F787 AromaticContact CE1-CZ 3.61Å; F744-F787 HydrophobicContact CE1-CZ 3.61Å; F744-F787 AromaticContact CZ-CZ 3.85Å; F744-F787 HydrophobicContact CZ-CZ 3.85Å
745	M	92.1	Very high	87.3	Confident	21 Å²	21	41.5 Å²	41.5	10%	0.103	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-96	151.2	170.5	61.4	147.8	-74.4	0	0	110.6	P747 W754 P756 W839 D840	M745-P747 HydrophobicContact CE-CB 4.03Å; M745-P747 VanDerWaalsContact CE-CD 3.41Å; M745-P747 HydrophobicContact CE-CG 3.4Å; M745-W754 HydrophobicContact CG-CB 4.27Å; M745-W754 VanDerWaalsContact CG-O 3.32Å; M745-W754 WeakPolarHBondContact CG-O 3.35Å; M745-W754 PolarHBondContact N-O 3.17Å; M745-W754 PolarHBondContact O-N 3.45Å; M745-P756 HydrophobicContact CB-CB 4.41Å; M745-P756 HydrophobicContact CG-CB 4.46Å; M745-W839 HydrophobicContact CE-CH2 4.11Å; M745-W839 HydrophobicContact CE-CZ2 3.75Å; M745-W839 HydrophobicContact SD-CZ2 4Å; M745-D840 HydrophobicContact SD-CB 3.84Å
746	Y	92.1	Very high	87.5	Confident	64 Å²	64	38.9 Å²	38.9	25%	0.251	24%	0.242	S	C	.	.			trans	-124.4	103.2	178.3	-71	-87.5	0	0	0	107.7	I737 P739 F744 E748 M753	I737-Y746 PolarHBondContact O-OH 3.18Å; P739-Y746 HydrophobicContact CB-CD2 4.04Å; P739-Y746 HydrophobicContact CB-CE2 4.12Å; P739-Y746 HydrophobicContact CG-CD2 3.93Å; P739-Y746 HydrophobicContact CG-CE2 3.79Å; P739-Y746 HydrophobicContact CG-CG 4.48Å; F744-Y746 HydrophobicContact CB-CE2 4.48Å; Y746-E748 VanDerWaalsContact C-N 3.26Å; Y746-E748 PolarHBondContact O-N 3.21Å; Y746-M753 HydrophobicContact CD1-CB 4.23Å; Y746-M753 HydrophobicContact CE1-CB 3.49Å; Y746-M753 VanDerWaalsContact CE1-CB 3.49Å; Y746-M753 HydrophobicContact CE2-CB 4.34Å; Y746-M753 WeakPolarHBondContact OH-CB 3.19Å
747	P	86.4	Confident	87.5	Confident	41 Å²	41	40.1 Å²	40.1	27%	0.266	25%	0.25	S	S	.	.	S	Bend	trans	-56.2	-41	-177.9	-19.4	24.2	0	0	0	112.8	M745 S751 L808 W839	M745-P747 HydrophobicContact CE-CB 4.03Å; M745-P747 VanDerWaalsContact CE-CD 3.41Å; M745-P747 HydrophobicContact CE-CG 3.4Å; P747-S751 WeakPolarHBondContact CD-OG 3.29Å; P747-L808 HydrophobicContact CG-CD1 3.78Å; P747-L808 HydrophobicContact CG-CG 4Å; P747-W839 HydrophobicContact CB-CH2 4.18Å; P747-W839 HydrophobicContact CG-CH2 3.84Å; P747-W839 HydrophobicContact CG-CZ2 4.46Å
748	E	83.5	Confident	87.4	Confident	48 Å²	48	46.8 Å²	46.8	22%	0.224	28%	0.275	C	S	.	.	S	Bend	trans	-135.1	156.5	-175.9	-60.7	167.5	-154.1	0	0	110.3	Y746 A750 S751 S809 P810 D811	Y746-E748 VanDerWaalsContact C-N 3.26Å; Y746-E748 PolarHBondContact O-N 3.21Å; E748-A750 PolarHBondContact O-N 2.82Å; E748-S751 PolarHBondContact N-OG 2.86Å; E748-S751 PolarHBondContact O-N 2.71Å; E748-S751 VanDerWaalsContact O-N 3.12Å; E748-S751 PolarHBondContact O-OG 3.29Å; E748-S809 VanDerWaalsContact OE1-C 3.29Å; E748-S809 VanDerWaalsContact OE1-CA 3.26Å; E748-S809 WeakPolarHBondContact OE1-CA 3.28Å; E748-S809 WeakPolarHBondContact OE1-CB 3.49Å; E748-S809 PolarHBondContact OE1-OG 3.03Å; E748-P810 WeakPolarHBondContact OE2-CD 3.41Å; E748-D811 PolarHBondContact OE1-N 3.41Å
749	G	60.7	Low	87.5	Confident	97 Å²	97	45.1 Å²	45.1	100%	1	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-0.9	-169.8	0	0	0	0	0	117
750	A	62.6	Low	87.6	Confident	106 Å²	106	48.7 Å²	48.7	88%	0.876	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	17.1	175.6	0	0	0	0	0	112.8	E748	E748-A750 PolarHBondContact O-N 2.82Å
751	S	71.8	Confident	87.7	Confident	19 Å²	19	43.3 Å²	43.3	13%	0.133	25%	0.253	C	S	.	.	S	Bend	trans	-88.5	169.2	-174.2	64.4	0	0	0	0	113.5	P747 E748 L808	P747-S751 WeakPolarHBondContact CD-OG 3.29Å; E748-S751 PolarHBondContact N-OG 2.86Å; E748-S751 PolarHBondContact O-N 2.71Å; E748-S751 VanDerWaalsContact O-N 3.12Å; E748-S751 PolarHBondContact O-OG 3.29Å; S751-L808 VanDerWaalsContact CB-O 3.27Å; S751-L808 WeakPolarHBondContact CB-O 3.47Å
752	C	89.2	Confident	87.8	Confident	23 Å²	23	48.4 Å²	48.4	16%	0.155	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-56.2	153.6	166.2	-67.7	0	0	0	0	112.1	P786 P788 L808	C752-P786 CarbonylContact C-O 3.39Å; C752-P786 WeakPolarHBondContact CA-O 3.31Å; C752-P786 WeakPolarHBondContact CB-O 3.09Å; C752-P788 HydrophobicContact CB-CB 4.31Å; C752-P788 HydrophobicContact CB-CG 4.45Å; C752-L808 HydrophobicContact CB-CD1 4.19Å
753	M	93.8	Very high	87.8	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-81.1	148	172.1	76.5	-174	178.9	0	0	111.1	I737 F744 Y746 F769 L785 P786 F787	I737-M753 HydrophobicContact CB-SD 3.89Å; I737-M753 HydrophobicContact CG2-CE 3.67Å; I737-M753 HydrophobicContact CG2-SD 3.63Å; F744-M753 HydrophobicContact CB-CB 3.99Å; F744-M753 HydrophobicContact CB-CG 4.38Å; F744-M753 HydrophobicContact CB-SD 4.43Å; F744-M753 HydrophobicContact CD2-CE 4.36Å; F744-M753 HydrophobicContact CD2-SD 3.7Å; F744-M753 HydrophobicContact CE2-CE 4.23Å; F744-M753 HydrophobicContact CE2-SD 4.17Å; F744-M753 HydrophobicContact CG-CB 4.44Å; F744-M753 HydrophobicContact CG-CG 4.3Å; F744-M753 HydrophobicContact CG-SD 4.06Å; Y746-M753 HydrophobicContact CD1-CB 4.23Å; Y746-M753 HydrophobicContact CE1-CB 3.49Å; Y746-M753 VanDerWaalsContact CE1-CB 3.49Å; Y746-M753 HydrophobicContact CE2-CB 4.34Å; Y746-M753 WeakPolarHBondContact OH-CB 3.19Å; M753-F769 HydrophobicContact CE-CZ 4.09Å; M753-L785 HydrophobicContact CE-CB 4.39Å; M753-L785 HydrophobicContact CE-CD2 4.34Å; M753-P786 HydrophobicContact CB-CG 4.41Å; M753-P786 HydrophobicContact CE-CG 4.29Å; M753-P786 HydrophobicContact CG-CG 4.04Å; M753-P786 PolarHBondContact N-O 3.09Å; M753-P786 HydrophobicContact SD-CG 3.76Å; M753-F787 HydrophobicContact CE-CD1 4.36Å; M753-F787 HydrophobicContact CE-CD2 3.42Å; M753-F787 VanDerWaalsContact CE-CD2 3.42Å; M753-F787 HydrophobicContact CE-CE1 4.06Å; M753-F787 HydrophobicContact CE-CE2 3.07Å; M753-F787 HydrophobicContact CE-CG 4.07Å; M753-F787 HydrophobicContact CE-CZ 3.43Å; M753-F787 VanDerWaalsContact CE-CZ 3.43Å; M753-F787 HydrophobicContact CG-CD1 3.84Å; M753-F787 HydrophobicContact CG-CD2 4.48Å; M753-F787 HydrophobicContact CG-CE1 3.81Å; M753-F787 HydrophobicContact CG-CE2 4.48Å; M753-F787 HydrophobicContact CG-CG 4.18Å; M753-F787 HydrophobicContact CG-CZ 4.15Å; M753-F787 WeakPolarHBondContact O-CD1 3.28Å; M753-F787 HydrophobicContact SD-CE2 4.5Å; M753-F787 HydrophobicContact SD-CZ 4.4Å
754	W	95.4	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-140.1	163.4	173.9	-162.3	-116.4	0	0	0	112.9	F744 M745 F787 P788 A790 L791 K794 L808 I871 F872 V876	F744-W754 WeakPolarHBondContact CA-O 3.07Å; F744-W754 WeakPolarHBondContact CB-O 3.18Å; M745-W754 HydrophobicContact CG-CB 4.27Å; M745-W754 VanDerWaalsContact CG-O 3.32Å; M745-W754 WeakPolarHBondContact CG-O 3.35Å; M745-W754 PolarHBondContact N-O 3.17Å; M745-W754 PolarHBondContact O-N 3.45Å; W754-F787 HydrophobicContact CE3-CD1 4.13Å; W754-F787 HydrophobicContact CZ3-CD1 4.35Å; W754-P788 HydrophobicContact CE3-CG 3.77Å; W754-P788 HydrophobicContact CZ3-CG 3.81Å; W754-A790 HydrophobicContact CH2-CB 4.35Å; W754-A790 HydrophobicContact CZ3-CB 4.44Å; W754-L791 HydrophobicContact CZ3-CB 4.11Å; W754-K794 HydrophobicContact CH2-CD 3.9Å; W754-K794 HydrophobicContact CZ2-CD 4.19Å; W754-L808 HydrophobicContact CB-CD1 3.71Å; W754-L808 HydrophobicContact CB-CD2 4.02Å; W754-L808 HydrophobicContact CD2-CD2 4.09Å; W754-L808 HydrophobicContact CG-CD1 4.34Å; W754-L808 HydrophobicContact CG-CD2 3.8Å; W754-I871 PolarHBondContact NE1-O 3.31Å; W754-F872 HydrophobicContact CD2-CD1 4.47Å; W754-F872 AromaticContact CE2-CD1 3.8Å; W754-F872 AromaticContact CH2-CD1 3.76Å; W754-F872 HydrophobicContact CH2-CD1 3.76Å; W754-F872 HydrophobicContact CH2-CE1 4.31Å; W754-F872 HydrophobicContact CZ2-CB 4.37Å; W754-F872 AromaticContact CZ2-CD1 3.46Å; W754-F872 HydrophobicContact CZ2-CD1 3.46Å; W754-F872 VanDerWaalsContact CZ2-CD1 3.46Å; W754-F872 HydrophobicContact CZ2-CE1 4.25Å; W754-F872 HydrophobicContact CZ2-CG 4.4Å; W754-F872 HydrophobicContact CZ3-CD1 4.37Å; W754-F872 HydrophobicContact CZ3-CE1 4.49Å; W754-V876 HydrophobicContact CZ2-CG2 4.32Å
755	F	95.7	Very high	87.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.			trans	-65.7	135.3	176	-63	-80.4	0	0	0	110.5	F744 Y766 F787 L791 V876 V879 Y880 F883	F744-F755 HydrophobicContact CD1-CD1 4.37Å; F744-F755 AromaticContact CE1-CD1 3.9Å; F744-F755 HydrophobicContact CE1-CD1 3.9Å; F744-F755 AromaticContact CE1-CE1 3.84Å; F744-F755 HydrophobicContact CE1-CE1 3.84Å; F755-Y766 AromaticContact CD1-CD1 3.78Å; F755-Y766 HydrophobicContact CD1-CD1 3.78Å; F755-Y766 HydrophobicContact CD1-CE1 4.06Å; F755-Y766 AromaticContact CE1-CD1 3.99Å; F755-Y766 HydrophobicContact CE1-CD1 3.99Å; F755-F787 HydrophobicContact CE2-CE1 4.19Å; F755-F787 HydrophobicContact CZ-CE1 4.31Å; F755-F787 HydrophobicContact CZ-CZ 4.27Å; F755-L791 HydrophobicContact CE2-CD1 3.87Å; F755-L791 HydrophobicContact CZ-CD1 4.27Å; F755-V876 HydrophobicContact CB-CB 3.83Å; F755-V876 HydrophobicContact CB-CG1 3.67Å; F755-V876 VanDerWaalsContact O-CG1 3.26Å; F755-V876 WeakPolarHBondContact O-CG1 3.32Å; F755-V879 HydrophobicContact CB-CG2 3.82Å; F755-V879 HydrophobicContact CD1-CG2 4.18Å; F755-V879 HydrophobicContact CG-CG2 4.24Å; F755-Y880 AromaticContact CE2-CD2 3.93Å; F755-Y880 HydrophobicContact CE2-CD2 3.93Å; F755-Y880 HydrophobicContact CZ-CD2 4.33Å; F755-F883 HydrophobicContact CE1-CB 3.89Å; F755-F883 HydrophobicContact CE1-CD2 4.32Å; F755-F883 HydrophobicContact CE1-CG 4.04Å; F755-F883 HydrophobicContact CZ-CB 3.91Å; F755-F883 AromaticContact CZ-CD1 3.86Å; F755-F883 HydrophobicContact CZ-CD1 3.86Å; F755-F883 HydrophobicContact CZ-CD2 4.09Å; F755-F883 HydrophobicContact CZ-CE1 4.45Å; F755-F883 AromaticContact CZ-CG 3.67Å; F755-F883 HydrophobicContact CZ-CG 3.67Å
756	P	94.1	Very high	87.7	Confident	10 Å²	10	58.9 Å²	58.9	7%	0.065	32%	0.316	C	S	.	.			trans	-76.2	146.3	178.1	31.6	-34.6	0	0	0	111	M745 R758 P759 Y766	M745-P756 HydrophobicContact CB-CB 4.41Å; M745-P756 HydrophobicContact CG-CB 4.46Å; P756-R758 VanDerWaalsContact C-N 3.31Å; P756-P759 HydrophobicContact CG-CB 4.01Å; P756-Y766 WeakPolarHBondContact CG-OH 3.42Å
757	V	92.3	Very high	87.8	Confident	28 Å²	28	56 Å²	56	17%	0.17	30%	0.304	C	S	.	.	S	Bend	trans	-68.5	-37.3	173.3	-178.6	0	0	0	0	110	D840 N842	V757-D840 HydrophobicContact CB-CB 4.03Å; V757-D840 WeakPolarHBondContact CB-OD2 3.34Å; V757-D840 HydrophobicContact CG2-CB 3.56Å; V757-D840 PolarHBondContact N-OD2 3.02Å; V757-N842 HydrophobicContact CG1-CB 4.17Å
758	R	89.4	Confident	88.2	Confident	150 Å²	150	54.7 Å²	54.7	57%	0.566	29%	0.294	S	S	*	.	S	Bend	trans	-118.5	90.2	174.8	-77.5	-179.7	-77	-172.7	-7.3	110.2	P756 K760 R841	P756-R758 VanDerWaalsContact C-N 3.31Å; R758-K760 PolarHBondContact O-N 2.95Å; R758-R841 PolarHBondContact NH2-O 2.94Å
759	P	91.6	Very high	88.7	Confident	43 Å²	43	52.4 Å²	52.4	28%	0.279	28%	0.284	S	S	.	.			trans	-66.4	133.1	-175.3	28.7	-36.7	0	0	0	111.8	P756 F761 Y766 V879	P756-P759 HydrophobicContact CG-CB 4.01Å; P759-F761 VanDerWaalsContact C-N 3.28Å; P759-Y766 HydrophobicContact CB-CE2 3.66Å; P759-Y766 WeakPolarHBondContact CB-OH 3.11Å; P759-V879 HydrophobicContact CB-CG1 4.14Å; P759-V879 HydrophobicContact CG-CG1 3.89Å
760	K	91.5	Very high	90.3	Very high	146 Å²	146	47.8 Å²	47.8	64%	0.635	24%	0.236	S	C	*	.	S	Bend	trans	-65.9	-32.5	172.4	-178.7	-177.4	174.3	-170.9	0	112.2	Y741 R758	Y741-K760 PolarHBondContact O-NZ 3Å; R758-K760 PolarHBondContact O-N 2.95Å
761	F	91.5	Very high	91.8	Very high	35 Å²	35	42.9 Å²	42.9	15%	0.154	20%	0.195	C	C	.	.	S	Bend	trans	-102.6	159	-179.4	-60.2	-64.7	0	0	0	112.3	Y741 M743 P759 R765	Y741-F761 HydrophobicContact CD1-CE2 4.07Å; Y741-F761 HydrophobicContact CD1-CZ 4.44Å; Y741-F761 AromaticContact CE1-CE2 3.76Å; Y741-F761 HydrophobicContact CE1-CE2 3.76Å; Y741-F761 HydrophobicContact CE1-CZ 4.07Å; Y741-F761 HydrophobicContact CE2-CZ 4.32Å; Y741-F761 AromaticContact CZ-CZ 3.99Å; Y741-F761 WeakPolarHBondContact O-CE2 3.5Å; Y741-F761 WeakPolarHBondContact O-CZ 3.16Å; M743-F761 HydrophobicContact CB-CD2 4.11Å; M743-F761 HydrophobicContact CB-CE2 4Å; M743-F761 HydrophobicContact CG-CD2 4.45Å; P759-F761 VanDerWaalsContact C-N 3.28Å; F761-R765 HydrophobicContact CB-CB 4.18Å; F761-R765 HydrophobicContact CB-CG 4.11Å
762	E	91.9	Very high	92.8	Very high	153 Å²	153	42 Å²	42	72%	0.715	19%	0.189	S	C	*	.			trans	-57.2	145.3	171.4	-63.6	-179.1	179.4	0	0	111.8	K764 R765	E762-K764 PolarHBondContact O-N 2.91Å; E762-R765 WeakPolarHBondContact O-CB 3.43Å; E762-R765 PolarHBondContact O-N 2.92Å
763	K	90.4	Very high	93.1	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-52.9	-33	-178.6	-62.4	-178	-179.4	176.3	0	112.9	R765 Y766 A878 V879 E882	K763-R765 PolarHBondContact O-N 3.49Å; K763-Y766 WeakPolarHBondContact O-CB 3.4Å; K763-Y766 WeakPolarHBondContact O-CD2 3.17Å; K763-Y766 PolarHBondContact O-N 2.96Å; K763-A878 HydrophobicContact CD-CB 4.18Å; K763-V879 HydrophobicContact CG-CG1 4.41Å; K763-E882 HydrophobicContact CB-CG 4.18Å
764	K	90.4	Very high	93	Very high	72 Å²	72	41.1 Å²	41.1	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-27.9	177.7	-165.9	176	-175.3	174.1	0	113.6	E701 E762 Y766 F767 F768	E701-K764 WeakPolarHBondContact OE1-CE 3.21Å; E701-K764 IonicContact OE1-NZ 3.79Å; E701-K764 PolarHBondContact OE1-NZ 3.28Å; E701-K764 VanDerWaalsContact OE1-NZ 3.15Å; E701-K764 WeakPolarHBondContact OE2-CE 3.44Å; E701-K764 IonicContact OE2-NZ 2.72Å; E701-K764 PolarHBondContact OE2-NZ 3.09Å; E762-K764 PolarHBondContact O-N 2.91Å; K764-Y766 VanDerWaalsContact C-N 3.27Å; K764-Y766 PolarHBondContact O-N 3.24Å; K764-F767 WeakPolarHBondContact O-CB 3.32Å; K764-F767 PolarHBondContact O-N 2.87Å; K764-F768 HydrophobicContact CD-CE2 4.08Å; K764-F768 HydrophobicContact CD-CZ 4.41Å; K764-F768 HydrophobicContact CG-CD2 4.31Å; K764-F768 HydrophobicContact CG-CE2 3.81Å; K764-F768 HydrophobicContact CG-CZ 4.35Å; K764-F768 WeakPolarHBondContact O-CD2 3.38Å; K764-F768 PolarHBondContact O-N 3.26Å; K764-F768 VanDerWaalsContact O-N 3.12Å
765	R	92.4	Very high	92.8	Very high	86 Å²	86	41.2 Å²	41.2	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-33	174.3	-71.3	-149.9	-175.4	-176.6	-3.2	112.5	Y741 F761 E762 K763 F767 F768 F769	Y741-R765 PolarHBondContact OH-NH1 3.33Å; F761-R765 HydrophobicContact CB-CB 4.18Å; F761-R765 HydrophobicContact CB-CG 4.11Å; E762-R765 WeakPolarHBondContact O-CB 3.43Å; E762-R765 PolarHBondContact O-N 2.92Å; K763-R765 PolarHBondContact O-N 3.49Å; R765-F767 VanDerWaalsContact C-N 3.35Å; R765-F768 PolarHBondContact O-N 2.89Å; R765-F769 PolarHBondContact O-N 3.32Å
766	Y	95.3	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.1	-34.4	175.8	-60.4	-90	0	0	0	111.6	M743 F744 F755 P756 P759 K763 K764 F769 G770 V879 F883	M743-Y766 HydrophobicContact CE-CD1 3.69Å; M743-Y766 HydrophobicContact CE-CE1 4.03Å; M743-Y766 HydrophobicContact CE-CG 4.1Å; M743-Y766 HydrophobicContact CG-CE1 4.1Å; M743-Y766 WeakPolarHBondContact O-CE1 3.32Å; M743-Y766 PolarHBondContact O-OH 2.76Å; F744-Y766 HydrophobicContact CE1-CD1 4.44Å; F744-Y766 HydrophobicContact CE1-CE1 4.33Å; F755-Y766 AromaticContact CD1-CD1 3.78Å; F755-Y766 HydrophobicContact CD1-CD1 3.78Å; F755-Y766 HydrophobicContact CD1-CE1 4.06Å; F755-Y766 AromaticContact CE1-CD1 3.99Å; F755-Y766 HydrophobicContact CE1-CD1 3.99Å; P756-Y766 WeakPolarHBondContact CG-OH 3.42Å; P759-Y766 HydrophobicContact CB-CE2 3.66Å; P759-Y766 WeakPolarHBondContact CB-OH 3.11Å; K763-Y766 WeakPolarHBondContact O-CB 3.4Å; K763-Y766 WeakPolarHBondContact O-CD2 3.17Å; K763-Y766 PolarHBondContact O-N 2.96Å; K764-Y766 VanDerWaalsContact C-N 3.27Å; K764-Y766 PolarHBondContact O-N 3.24Å; Y766-F769 PolarHBondContact O-N 2.83Å; Y766-G770 PolarHBondContact O-N 2.89Å; Y766-V879 HydrophobicContact CD1-CB 4.22Å; Y766-V879 HydrophobicContact CD2-CB 4.1Å; Y766-V879 HydrophobicContact CD2-CG1 3.84Å; Y766-V879 HydrophobicContact CE1-CB 4.47Å; Y766-V879 HydrophobicContact CE2-CB 4.35Å; Y766-V879 HydrophobicContact CE2-CG1 3.8Å; Y766-V879 HydrophobicContact CG-CB 4.03Å; Y766-V879 HydrophobicContact CG-CG1 4.29Å; Y766-F883 WeakPolarHBondContact O-CA 3.15Å
767	F	94.4	Very high	92.5	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-48	168.3	169.3	-92.2	0	0	0	111.8	K764 R765 F769 G770 L771 E882 R885 G886 K889	K764-F767 WeakPolarHBondContact O-CB 3.32Å; K764-F767 PolarHBondContact O-N 2.87Å; R765-F767 VanDerWaalsContact C-N 3.35Å; F767-F769 VanDerWaalsContact C-N 3.35Å; F767-F769 PolarHBondContact O-N 2.89Å; F767-G770 PolarHBondContact O-N 3.03Å; F767-L771 HydrophobicContact CE1-CD2 4.34Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.35Å; F767-E882 VanDerWaalsContact CA-O 3.27Å; F767-E882 WeakPolarHBondContact CA-O 3.48Å; F767-E882 HydrophobicContact CB-CB 4.17Å; F767-R885 HydrophobicContact CD2-CB 4.18Å; F767-R885 HydrophobicContact CD2-CG 4.1Å; F767-R885 HydrophobicContact CE2-CG 4.06Å; F767-G886 VanDerWaalsContact CD2-CA 3.48Å; F767-G886 WeakPolarHBondContact O-CA 3.42Å; F767-K889 HydrophobicContact CE2-CD 4.41Å; F767-K889 HydrophobicContact CZ-CD 3.82Å
768	F	93.3	Very high	92.3	Very high	13 Å²	13	40 Å²	40	6%	0.057	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-36.2	177.2	-68.4	-54.6	0	0	0	113.2	L694 L697 K764 R765 L771 L772	L694-F768 HydrophobicContact CD2-CB 3.56Å; L694-F768 HydrophobicContact CD2-CD2 3.94Å; L694-F768 HydrophobicContact CD2-CG 3.93Å; L697-F768 HydrophobicContact CB-CD1 3.85Å; L697-F768 HydrophobicContact CB-CE1 3.9Å; L697-F768 HydrophobicContact CD1-CD1 4.32Å; K764-F768 HydrophobicContact CD-CE2 4.08Å; K764-F768 HydrophobicContact CD-CZ 4.41Å; K764-F768 HydrophobicContact CG-CD2 4.31Å; K764-F768 HydrophobicContact CG-CE2 3.81Å; K764-F768 HydrophobicContact CG-CZ 4.35Å; K764-F768 WeakPolarHBondContact O-CD2 3.38Å; K764-F768 PolarHBondContact O-N 3.26Å; K764-F768 VanDerWaalsContact O-N 3.12Å; R765-F768 PolarHBondContact O-N 2.89Å; F768-L771 HydrophobicContact CD1-CD2 4.12Å; F768-L771 WeakPolarHBondContact O-CB 3.24Å; F768-L771 PolarHBondContact O-N 3.04Å; F768-L772 WeakPolarHBondContact O-CB 3.11Å; F768-L772 VanDerWaalsContact O-CG 3.29Å; F768-L772 WeakPolarHBondContact O-CG 3.42Å; F768-L772 PolarHBondContact O-N 3.1Å
769	F	95	Very high	92.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-42.1	174.1	-177.3	-87.8	0	0	0	112.1	F733 M736 M743 F744 M753 R765 Y766 F767 L771 L772 C773 L785 F787 F883	F733-F769 AromaticContact CD1-CE2 3.83Å; F733-F769 HydrophobicContact CD1-CE2 3.83Å; F733-F769 HydrophobicContact CD1-CZ 4.25Å; F733-F769 HydrophobicContact CE1-CD2 4.34Å; F733-F769 AromaticContact CE1-CE2 3.92Å; F733-F769 HydrophobicContact CE1-CE2 3.92Å; F733-F769 HydrophobicContact CE1-CZ 4.23Å; M736-F769 HydrophobicContact CB-CE2 4.33Å; M736-F769 HydrophobicContact CE-CB 4.33Å; M736-F769 HydrophobicContact CE-CD2 3.68Å; M736-F769 HydrophobicContact SD-CD2 4.07Å; M743-F769 HydrophobicContact CE-CB 3.31Å; M743-F769 HydrophobicContact CE-CD1 4.48Å; M743-F769 HydrophobicContact CE-CD2 4.05Å; M743-F769 HydrophobicContact CE-CG 3.71Å; M743-F769 HydrophobicContact SD-CB 4.29Å; M743-F769 HydrophobicContact SD-CD2 4.06Å; M743-F769 HydrophobicContact SD-CG 4.35Å; F744-F769 HydrophobicContact CE2-CD1 4.48Å; F744-F769 HydrophobicContact CE2-CD2 4.17Å; F744-F769 HydrophobicContact CE2-CE1 4.08Å; F744-F769 AromaticContact CE2-CE2 3.71Å; F744-F769 HydrophobicContact CE2-CE2 3.71Å; F744-F769 AromaticContact CE2-CZ 3.66Å; F744-F769 HydrophobicContact CE2-CZ 3.66Å; F744-F769 AromaticContact CZ-CD1 3.75Å; F744-F769 HydrophobicContact CZ-CD1 3.75Å; F744-F769 HydrophobicContact CZ-CD2 4.17Å; F744-F769 AromaticContact CZ-CE1 3.54Å; F744-F769 HydrophobicContact CZ-CE1 3.54Å; F744-F769 AromaticContact CZ-CE2 3.96Å; F744-F769 HydrophobicContact CZ-CE2 3.96Å; F744-F769 HydrophobicContact CZ-CG 4.07Å; F744-F769 AromaticContact CZ-CZ 3.64Å; F744-F769 HydrophobicContact CZ-CZ 3.64Å; M753-F769 HydrophobicContact CE-CZ 4.09Å; R765-F769 PolarHBondContact O-N 3.32Å; Y766-F769 PolarHBondContact O-N 2.83Å; F767-F769 VanDerWaalsContact C-N 3.35Å; F767-F769 PolarHBondContact O-N 2.89Å; F769-L771 VanDerWaalsContact C-N 3.31Å; F769-L771 PolarHBondContact O-N 2.75Å; F769-L772 PolarHBondContact O-N 3.23Å; F769-C773 VanDerWaalsContact CE1-SG 3.56Å; F769-C773 PolarHBondContact O-N 2.82Å; F769-C773 PolarHBondContact O-SG 2.85Å; F769-L785 HydrophobicContact CZ-CD2 3.89Å; F769-F787 AromaticContact CE1-CE2 3.89Å; F769-F787 HydrophobicContact CE1-CE2 3.89Å; F769-F787 HydrophobicContact CE1-CZ 4.12Å; F769-F787 HydrophobicContact CZ-CE2 4.25Å; F769-F883 AromaticContact CD1-CD2 3.81Å; F769-F883 HydrophobicContact CD1-CD2 3.81Å; F769-F883 AromaticContact CD1-CE2 3.7Å; F769-F883 HydrophobicContact CD1-CE2 3.7Å; F769-F883 HydrophobicContact CE1-CD2 4.41Å; F769-F883 AromaticContact CE1-CE2 3.94Å; F769-F883 HydrophobicContact CE1-CE2 3.94Å
770	G	94.8	Very high	91.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-42.9	171.6	0	0	0	0	0	112.1	Y766 F767 L772 C773 G774 F883 G886 F887	Y766-G770 PolarHBondContact O-N 2.89Å; F767-G770 PolarHBondContact O-N 3.03Å; G770-L772 PolarHBondContact O-N 3.03Å; G770-C773 WeakPolarHBondContact O-CB 3.42Å; G770-C773 PolarHBondContact O-N 2.94Å; G770-G774 PolarHBondContact O-N 2.85Å; G770-F883 WeakPolarHBondContact CA-O 3.38Å; G770-G886 VanDerWaalsContact C-C 3.45Å; G770-F887 VanDerWaalsContact C-N 3.34Å; G770-F887 VanDerWaalsContact O-CA 3.23Å; G770-F887 WeakPolarHBondContact O-CA 3.24Å; G770-F887 PolarHBondContact O-N 3.1Å
771	L	93.1	Very high	91.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-44.8	175.3	-170.7	68.3	0	0	0	112	L697 L705 F767 F768 F769 G774 L775 G886 K889 M890	L697-L771 HydrophobicContact CD2-CD2 3.95Å; L705-L771 HydrophobicContact CD1-CD1 4.46Å; L705-L771 HydrophobicContact CD1-CD2 4.01Å; F767-L771 HydrophobicContact CE1-CD2 4.34Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.35Å; F768-L771 HydrophobicContact CD1-CD2 4.12Å; F768-L771 WeakPolarHBondContact O-CB 3.24Å; F768-L771 PolarHBondContact O-N 3.04Å; F769-L771 VanDerWaalsContact C-N 3.31Å; F769-L771 PolarHBondContact O-N 2.75Å; L771-G774 PolarHBondContact O-N 3.3Å; L771-L775 VanDerWaalsContact O-CB 3.27Å; L771-L775 WeakPolarHBondContact O-CB 3.41Å; L771-L775 PolarHBondContact O-N 3.11Å; L771-G886 WeakPolarHBondContact CA-O 3.1Å; L771-K889 HydrophobicContact CD1-CB 3.87Å; L771-K889 HydrophobicContact CD1-CD 3.8Å; L771-K889 HydrophobicContact CD1-CG 4.08Å; L771-M890 HydrophobicContact CD1-CE 3.25Å; L771-M890 HydrophobicContact CD1-CG 4.14Å; L771-M890 HydrophobicContact CG-CE 4.32Å
772	L	94	Very high	91.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-40.6	176.5	-74.8	167	0	0	0	112	V693 L697 L732 F733 M736 F768 F769 G770 L775 S776	V693-L772 HydrophobicContact CG1-CD1 4.32Å; V693-L772 HydrophobicContact CG1-CD2 3.96Å; L697-L772 HydrophobicContact CD1-CD1 4.35Å; L697-L772 HydrophobicContact CD1-CD2 3.88Å; L697-L772 HydrophobicContact CD1-CG 3.96Å; L732-L772 HydrophobicContact CD2-CD1 3.77Å; L732-L772 HydrophobicContact CD2-CD2 3.68Å; L732-L772 HydrophobicContact CD2-CG 4.28Å; F733-L772 HydrophobicContact CE1-CB 4.19Å; F733-L772 HydrophobicContact CZ-CB 3.96Å; M736-L772 HydrophobicContact CE-CD1 4.38Å; M736-L772 HydrophobicContact SD-CD1 3.93Å; F768-L772 WeakPolarHBondContact O-CB 3.11Å; F768-L772 VanDerWaalsContact O-CG 3.29Å; F768-L772 WeakPolarHBondContact O-CG 3.42Å; F768-L772 PolarHBondContact O-N 3.1Å; F769-L772 PolarHBondContact O-N 3.23Å; G770-L772 PolarHBondContact O-N 3.03Å; L772-L775 PolarHBondContact O-N 3.27Å; L772-S776 WeakPolarHBondContact O-CB 3.31Å; L772-S776 PolarHBondContact O-N 3.16Å
773	C	94.7	Very high	91.2	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.027	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-46.5	174	-65.9	0	0	0	0	110.9	F769 G770 L775 S776 L777 F883 F887	F769-C773 VanDerWaalsContact CE1-SG 3.56Å; F769-C773 PolarHBondContact O-N 2.82Å; F769-C773 PolarHBondContact O-SG 2.85Å; G770-C773 WeakPolarHBondContact O-CB 3.42Å; G770-C773 PolarHBondContact O-N 2.94Å; C773-L775 VanDerWaalsContact C-N 3.35Å; C773-L775 PolarHBondContact O-N 3Å; C773-S776 PolarHBondContact O-N 2.59Å; C773-L777 PolarHBondContact O-N 3.24Å; C773-F883 HydrophobicContact CB-CE2 4.45Å; C773-F887 HydrophobicContact CB-CD2 4.05Å
774	G	92.4	Very high	91.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-38.3	175.6	0	0	0	0	0	112.7	G770 L771 L777 F778	G770-G774 PolarHBondContact O-N 2.85Å; L771-G774 PolarHBondContact O-N 3.3Å; G774-L777 PolarHBondContact O-N 2.95Å; G774-F778 VanDerWaalsContact O-CB 3.24Å; G774-F778 WeakPolarHBondContact O-CB 3.27Å; G774-F778 PolarHBondContact O-N 2.78Å
775	L	91.1	Very high	91.2	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-69	-38.3	177.7	-171.3	69.1	0	0	0	111.9	F680 L709 F729 L771 L772 C773 F778 N779 M890	F680-L775 HydrophobicContact CD1-CD2 4.47Å; F680-L775 HydrophobicContact CE1-CD2 3.9Å; L709-L775 HydrophobicContact CD1-CD2 4.24Å; L709-L775 HydrophobicContact CD2-CD2 4.09Å; L709-L775 HydrophobicContact CD2-CG 4.18Å; F729-L775 HydrophobicContact CE1-CD2 4.42Å; F729-L775 HydrophobicContact CZ-CB 4.38Å; F729-L775 HydrophobicContact CZ-CD2 4.13Å; F729-L775 HydrophobicContact CZ-CG 4.02Å; L771-L775 VanDerWaalsContact O-CB 3.27Å; L771-L775 WeakPolarHBondContact O-CB 3.41Å; L771-L775 PolarHBondContact O-N 3.11Å; L772-L775 PolarHBondContact O-N 3.27Å; C773-L775 VanDerWaalsContact C-N 3.35Å; C773-L775 PolarHBondContact O-N 3Å; L775-F778 PolarHBondContact O-N 2.83Å; L775-N779 WeakPolarHBondContact O-CB 3.3Å; L775-N779 PolarHBondContact O-N 3.01Å; L775-N779 PolarHBondContact O-ND2 3.1Å; L775-M890 HydrophobicContact CB-CG 4.35Å; L775-M890 HydrophobicContact CD1-SD 4.3Å
776	S	91.4	Very high	91.1	Very high	4 Å²	4	9.7 Å²	9.7	3%	0.028	6%	0.057	C	C	.	.	H	α-helix	trans	-60.3	-49.4	172	-176.3	0	0	0	0	110.4	L772 C773 F778 N779 C780 N781	L772-S776 WeakPolarHBondContact O-CB 3.31Å; L772-S776 PolarHBondContact O-N 3.16Å; C773-S776 PolarHBondContact O-N 2.59Å; S776-F778 PolarHBondContact O-N 3.37Å; S776-N779 CarbonylContact O-C 3.58Å; S776-N779 PolarHBondContact O-N 2.83Å; S776-C780 PolarHBondContact O-N 3.48Å; S776-N781 CarbonylContact C-O 3.28Å; S776-N781 WeakPolarHBondContact O-CA 3.44Å; S776-N781 WeakPolarHBondContact O-CB 3.38Å; S776-N781 PolarHBondContact O-N 2.99Å; S776-N781 WeakPolarHBondContact OG-CB 3.24Å; S776-N781 PolarHBondContact OG-ND2 3.48Å; S776-N781 PolarHBondContact OG-O 3.01Å
777	L	91.1	Very high	91.1	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-45.1	178.3	-178.2	57.7	0	0	0	112.1	L644 C773 G774 N779 C780 F887 I896 V907 I908	L644-L777 HydrophobicContact CD2-CD1 3.81Å; L644-L777 HydrophobicContact CD2-CD2 4.25Å; L644-L777 HydrophobicContact CD2-CG 4.1Å; C773-L777 PolarHBondContact O-N 3.24Å; G774-L777 PolarHBondContact O-N 2.95Å; L777-N779 VanDerWaalsContact C-N 3.28Å; L777-N779 PolarHBondContact O-N 3.47Å; L777-C780 WeakPolarHBondContact O-CA 3.48Å; L777-C780 PolarHBondContact O-N 2.97Å; L777-F887 HydrophobicContact CD2-CE2 4.23Å; L777-F887 HydrophobicContact CD2-CZ 3.85Å; L777-I896 HydrophobicContact CD2-CD1 3.74Å; L777-V907 HydrophobicContact CD1-CG1 3.51Å; L777-I908 HydrophobicContact CD1-CG1 4.26Å; L777-I908 HydrophobicContact CD2-CD1 4.34Å; L777-I908 HydrophobicContact CD2-CG1 4.03Å
778	F	88.8	Confident	91.1	Very high	5 Å²	5	9.6 Å²	9.6	2%	0.022	6%	0.056	C	C	.	.	H	α-helix	trans	-57.6	-41.1	175.7	-170.5	-94.6	0	0	0	111	T648 K651 I652 R706 G774 L775 S776 C780 M890	T648-F778 HydrophobicContact CG2-CB 4.39Å; T648-F778 HydrophobicContact CG2-CD1 3.65Å; T648-F778 HydrophobicContact CG2-CD2 3.49Å; T648-F778 VanDerWaalsContact CG2-CD2 3.49Å; T648-F778 HydrophobicContact CG2-CE1 3.65Å; T648-F778 HydrophobicContact CG2-CE2 3.48Å; T648-F778 VanDerWaalsContact CG2-CE2 3.48Å; T648-F778 HydrophobicContact CG2-CG 3.57Å; T648-F778 HydrophobicContact CG2-CZ 3.56Å; T648-F778 WeakPolarHBondContact CG2-O 3.14Å; K651-F778 HydrophobicContact CB-CE2 4.35Å; K651-F778 HydrophobicContact CB-CZ 4.27Å; K651-F778 HydrophobicContact CD-CE2 4.19Å; I652-F778 HydrophobicContact CD1-CE1 3.77Å; I652-F778 HydrophobicContact CD1-CZ 4.24Å; I652-F778 HydrophobicContact CG1-CE1 3.69Å; I652-F778 HydrophobicContact CG1-CZ 3.8Å; R706-F778 HydrophobicContact CB-CE2 4.15Å; R706-F778 HydrophobicContact CB-CZ 3.82Å; R706-F778 HydrophobicContact CG-CE2 4.1Å; R706-F778 HydrophobicContact CG-CZ 4.25Å; G774-F778 VanDerWaalsContact O-CB 3.24Å; G774-F778 WeakPolarHBondContact O-CB 3.27Å; G774-F778 PolarHBondContact O-N 2.78Å; L775-F778 PolarHBondContact O-N 2.83Å; S776-F778 PolarHBondContact O-N 3.37Å; F778-C780 PolarHBondContact O-N 2.76Å; F778-C780 VanDerWaalsContact O-N 3.13Å; F778-M890 HydrophobicContact CB-CB 4.49Å
779	N	86.3	Confident	91.2	Very high	33 Å²	33	10.1 Å²	10.1	18%	0.176	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	18.1	176.6	-72.6	-83.8	0	0	0	113.9	L709 F729 L775 S776 L777 N781	L709-N779 WeakPolarHBondContact CB-OD1 3.44Å; F729-N779 HydrophobicContact CE2-CB 4.46Å; L775-N779 WeakPolarHBondContact O-CB 3.3Å; L775-N779 PolarHBondContact O-N 3.01Å; L775-N779 PolarHBondContact O-ND2 3.1Å; S776-N779 CarbonylContact O-C 3.58Å; S776-N779 PolarHBondContact O-N 2.83Å; L777-N779 VanDerWaalsContact C-N 3.28Å; L777-N779 PolarHBondContact O-N 3.47Å; N779-N781 PolarHBondContact O-N 3.44Å
780	C	85.7	Confident	91.3	Very high	39 Å²	39	10.1 Å²	10.1	26%	0.264	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.5	-179	-54.1	0	0	0	0	111.3	H645 S776 L777 F778 Q965	H645-C780 PolarHBondContact CD2-SG 2.86Å; S776-C780 PolarHBondContact O-N 3.48Å; L777-C780 WeakPolarHBondContact O-CA 3.48Å; L777-C780 PolarHBondContact O-N 2.97Å; F778-C780 PolarHBondContact O-N 2.76Å; F778-C780 VanDerWaalsContact O-N 3.13Å; C780-Q965 PolarHBondContact O-NE2 3.27Å
781	N	86.7	Confident	91.4	Very high	5 Å²	5	10.3 Å²	10.3	3%	0.027	6%	0.06	C	C	.	.			trans	-116.7	145.4	-178.9	-174.7	62.6	0	0	0	111.3	R726 F729 S776 N779	R726-N781 VanDerWaalsContact CG-OD1 3.26Å; R726-N781 WeakPolarHBondContact CG-OD1 3.47Å; F729-N781 WeakPolarHBondContact CB-ND2 3.39Å; F729-N781 HydrophobicContact CD2-CB 4.08Å; F729-N781 WeakPolarHBondContact CD2-ND2 3.48Å; F729-N781 HydrophobicContact CE2-CB 4.49Å; S776-N781 CarbonylContact C-O 3.28Å; S776-N781 WeakPolarHBondContact O-CA 3.44Å; S776-N781 WeakPolarHBondContact O-CB 3.38Å; S776-N781 PolarHBondContact O-N 2.99Å; S776-N781 WeakPolarHBondContact OG-CB 3.24Å; S776-N781 PolarHBondContact OG-ND2 3.48Å; S776-N781 PolarHBondContact OG-O 3.01Å; N779-N781 PolarHBondContact O-N 3.44Å
782	V	87.8	Confident	91.6	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.024	6%	0.06	C	C	.	.			trans	-106.1	147.5	176.5	-70.4	0	0	0	0	110.5	V907 I908 R963 Q965	V782-V907 WeakPolarHBondContact CG1-O 3.34Å; V782-I908 WeakPolarHBondContact CA-O 3.23Å; V782-R963 HydrophobicContact CG2-CB 3.79Å; V782-Q965 HydrophobicContact CG1-CG 3.52Å; V782-Q965 HydrophobicContact CG2-CG 4.28Å
783	A	86.4	Confident	91.7	Very high	2 Å²	2	11.6 Å²	11.6	2%	0.017	7%	0.066	C	C	.	.			trans	-138.9	147	-179.1	0	0	0	0	0	112	F733 L785 I908 V909	F733-A783 HydrophobicContact CB-CB 4.5Å; F733-A783 HydrophobicContact CD2-CB 3.27Å; F733-A783 HydrophobicContact CE2-CB 3.6Å; F733-A783 HydrophobicContact CG-CB 4.04Å; A783-L785 HydrophobicContact CB-CG 4.23Å; A783-L785 PolarHBondContact O-N 3.43Å; A783-I908 PolarHBondContact N-O 2.86Å; A783-I908 VanDerWaalsContact N-O 3.12Å; A783-V909 WeakPolarHBondContact O-CA 3.43Å
784	N	88.5	Confident	91.8	Very high	34 Å²	34	12.1 Å²	12.1	18%	0.182	7%	0.067	C	C	.	.			trans	-69.1	97.7	172.8	-177.4	26.6	0	0	0	110.4	E734 R963	E734-N784 PolarHBondContact OE1-ND2 2.69Å; N784-R963 PolarHBondContact OD1-NH2 3.4Å
785	L	92	Very high	91.9	Very high	7 Å²	7	12.2 Å²	12.2	4%	0.037	7%	0.068	C	C	.	.			trans	-119.3	94.2	176.2	-58.6	177.8	0	0	0	108.4	F733 M753 F769 A783 F787 I908 V909	F733-L785 HydrophobicContact CB-CD2 4.43Å; F733-L785 HydrophobicContact CD1-CD2 3.65Å; F733-L785 HydrophobicContact CE1-CD2 3.99Å; F733-L785 HydrophobicContact CG-CD2 4.01Å; M753-L785 HydrophobicContact CE-CB 4.39Å; M753-L785 HydrophobicContact CE-CD2 4.34Å; F769-L785 HydrophobicContact CZ-CD2 3.89Å; A783-L785 HydrophobicContact CB-CG 4.23Å; A783-L785 PolarHBondContact O-N 3.43Å; L785-F787 HydrophobicContact CB-CD2 4.1Å; L785-F787 PolarHBondContact O-N 3.16Å; L785-I908 HydrophobicContact CD1-CG2 3.73Å; L785-V909 HydrophobicContact CB-CG2 4.23Å
786	P	91.4	Very high	92.1	Very high	40 Å²	40	12.9 Å²	12.9	26%	0.26	7%	0.071	S	C	.	.			trans	-76.2	48.1	-173.6	32.5	-37.5	0	0	0	112.4	I737 C752 M753	I737-P786 HydrophobicContact CD1-CG 4.29Å; C752-P786 CarbonylContact C-O 3.39Å; C752-P786 WeakPolarHBondContact CA-O 3.31Å; C752-P786 WeakPolarHBondContact CB-O 3.09Å; M753-P786 HydrophobicContact CB-CG 4.41Å; M753-P786 HydrophobicContact CE-CG 4.29Å; M753-P786 HydrophobicContact CG-CG 4.04Å; M753-P786 PolarHBondContact N-O 3.09Å; M753-P786 HydrophobicContact SD-CG 3.76Å
787	F	94.5	Very high	92.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.092	C	C	.	.			trans	-83.7	150.3	172	-74.8	-72.5	0	0	0	111.5	F744 M753 W754 F755 F769 L785 L791 F792	F744-F787 HydrophobicContact CD1-CE1 4.19Å; F744-F787 HydrophobicContact CD1-CZ 4.14Å; F744-F787 HydrophobicContact CE1-CE1 4.06Å; F744-F787 AromaticContact CE1-CZ 3.61Å; F744-F787 HydrophobicContact CE1-CZ 3.61Å; F744-F787 AromaticContact CZ-CZ 3.85Å; F744-F787 HydrophobicContact CZ-CZ 3.85Å; M753-F787 HydrophobicContact CE-CD1 4.36Å; M753-F787 HydrophobicContact CE-CD2 3.42Å; M753-F787 VanDerWaalsContact CE-CD2 3.42Å; M753-F787 HydrophobicContact CE-CE1 4.06Å; M753-F787 HydrophobicContact CE-CE2 3.07Å; M753-F787 HydrophobicContact CE-CG 4.07Å; M753-F787 HydrophobicContact CE-CZ 3.43Å; M753-F787 VanDerWaalsContact CE-CZ 3.43Å; M753-F787 HydrophobicContact CG-CD1 3.84Å; M753-F787 HydrophobicContact CG-CD2 4.48Å; M753-F787 HydrophobicContact CG-CE1 3.81Å; M753-F787 HydrophobicContact CG-CE2 4.48Å; M753-F787 HydrophobicContact CG-CG 4.18Å; M753-F787 HydrophobicContact CG-CZ 4.15Å; M753-F787 WeakPolarHBondContact O-CD1 3.28Å; M753-F787 HydrophobicContact SD-CE2 4.5Å; M753-F787 HydrophobicContact SD-CZ 4.4Å; W754-F787 HydrophobicContact CE3-CD1 4.13Å; W754-F787 HydrophobicContact CZ3-CD1 4.35Å; F755-F787 HydrophobicContact CE2-CE1 4.19Å; F755-F787 HydrophobicContact CZ-CE1 4.31Å; F755-F787 HydrophobicContact CZ-CZ 4.27Å; F769-F787 AromaticContact CE1-CE2 3.89Å; F769-F787 HydrophobicContact CE1-CE2 3.89Å; F769-F787 HydrophobicContact CE1-CZ 4.12Å; F769-F787 HydrophobicContact CZ-CE2 4.25Å; L785-F787 HydrophobicContact CB-CD2 4.1Å; L785-F787 PolarHBondContact O-N 3.16Å; F787-L791 HydrophobicContact CB-CB 3.92Å; F787-L791 HydrophobicContact CB-CD2 3.73Å; F787-L791 HydrophobicContact CB-CG 4.47Å; F787-L791 HydrophobicContact CD1-CB 4.49Å; F787-L791 HydrophobicContact CD1-CD2 3.87Å; F787-L791 HydrophobicContact CD2-CD2 3.2Å; F787-L791 HydrophobicContact CE1-CD2 4.24Å; F787-L791 HydrophobicContact CE2-CD2 3.6Å; F787-L791 HydrophobicContact CG-CB 4.24Å; F787-L791 HydrophobicContact CG-CD2 3.34Å; F787-L791 HydrophobicContact CG-CG 4.37Å; F787-L791 HydrophobicContact CZ-CD2 4.11Å; F787-F792 HydrophobicContact CB-CE2 4.41Å
788	P	94.8	Very high	92.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.			trans	-68.7	164	170.1	33.4	-36.1	0	0	0	110.9	C752 W754 A790 L791 E807 L808	C752-P788 HydrophobicContact CB-CB 4.31Å; C752-P788 HydrophobicContact CB-CG 4.45Å; W754-P788 HydrophobicContact CE3-CG 3.77Å; W754-P788 HydrophobicContact CZ3-CG 3.81Å; P788-A790 HydrophobicContact CG-CB 4.16Å; P788-A790 PolarHBondContact O-N 3.25Å; P788-L791 PolarHBondContact O-N 2.79Å; P788-E807 HydrophobicContact CB-CB 4.23Å; P788-E807 HydrophobicContact CB-CG 4.06Å; P788-L808 HydrophobicContact CB-CB 4.29Å; P788-L808 HydrophobicContact CG-CB 4.19Å; P788-L808 HydrophobicContact CG-CD1 4.34Å
789	L	95.4	Very high	92.5	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.12	14%	0.143	C	C	.	.	H	α-helix	trans	-55.6	-26.2	176.3	-168.5	67.6	0	0	0	112.5	L791 F792 K793 E807 P901 E902 K905	L789-L791 PolarHBondContact O-N 3.24Å; L789-F792 PolarHBondContact O-N 2.82Å; L789-F792 VanDerWaalsContact O-N 3.07Å; L789-K793 PolarHBondContact O-N 3.42Å; L789-E807 WeakPolarHBondContact CB-OE2 3.19Å; L789-E807 PolarHBondContact N-OE2 2.84Å; L789-P901 HydrophobicContact CD1-CB 3.85Å; L789-P901 HydrophobicContact CG-CB 4.11Å; L789-E902 HydrophobicContact CD1-CG 4.2Å; L789-E902 HydrophobicContact CD2-CG 4.25Å; L789-K905 HydrophobicContact CD1-CB 4.4Å; L789-K905 HydrophobicContact CD1-CD 4.07Å
790	A	96.3	Very high	93	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-50	-37.5	172.6	0	0	0	0	0	113.9	W754 P788 F792 K793 K794 P800 D804 F872	W754-A790 HydrophobicContact CH2-CB 4.35Å; W754-A790 HydrophobicContact CZ3-CB 4.44Å; P788-A790 HydrophobicContact CG-CB 4.16Å; P788-A790 PolarHBondContact O-N 3.25Å; A790-F792 PolarHBondContact O-N 2.91Å; A790-K793 PolarHBondContact O-N 3.48Å; A790-K794 VanDerWaalsContact O-CG 3.26Å; A790-K794 WeakPolarHBondContact O-CG 3.4Å; A790-K794 PolarHBondContact O-N 2.89Å; A790-P800 HydrophobicContact CB-CB 3.93Å; A790-P800 HydrophobicContact CB-CG 4Å; A790-D804 HydrophobicContact CB-CB 3.75Å; A790-F872 HydrophobicContact CB-CD1 3.65Å; A790-F872 HydrophobicContact CB-CE1 3.4Å; A790-F872 HydrophobicContact CB-CG 4.35Å; A790-F872 HydrophobicContact CB-CZ 3.89Å
791	L	96.9	Very high	93.4	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-47.2	178.7	178.7	61.9	0	0	0	111.2	W754 F755 F787 P788 L789 K794 L795 Y880 F883	W754-L791 HydrophobicContact CZ3-CB 4.11Å; F755-L791 HydrophobicContact CE2-CD1 3.87Å; F755-L791 HydrophobicContact CZ-CD1 4.27Å; F787-L791 HydrophobicContact CB-CB 3.92Å; F787-L791 HydrophobicContact CB-CD2 3.73Å; F787-L791 HydrophobicContact CB-CG 4.47Å; F787-L791 HydrophobicContact CD1-CB 4.49Å; F787-L791 HydrophobicContact CD1-CD2 3.87Å; F787-L791 HydrophobicContact CD2-CD2 3.2Å; F787-L791 HydrophobicContact CE1-CD2 4.24Å; F787-L791 HydrophobicContact CE2-CD2 3.6Å; F787-L791 HydrophobicContact CG-CB 4.24Å; F787-L791 HydrophobicContact CG-CD2 3.34Å; F787-L791 HydrophobicContact CG-CG 4.37Å; F787-L791 HydrophobicContact CZ-CD2 4.11Å; P788-L791 PolarHBondContact O-N 2.79Å; L789-L791 PolarHBondContact O-N 3.24Å; L791-K794 PolarHBondContact O-N 3.21Å; L791-L795 PolarHBondContact O-N 3.21Å; L791-Y880 HydrophobicContact CD1-CD2 4.39Å; L791-Y880 HydrophobicContact CD1-CE2 3.98Å; L791-F883 HydrophobicContact CD1-CD1 4.28Å; L791-F883 HydrophobicContact CD1-CE1 3.73Å; L791-F883 HydrophobicContact CD1-CZ 4.36Å; L791-F883 HydrophobicContact CD2-CE1 4.27Å; L791-F883 HydrophobicContact CD2-CZ 4.1Å; L791-F883 HydrophobicContact CG-CE1 4.39Å
792	F	96.7	Very high	93.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-36.1	-177	-54.4	-80.5	0	0	0	110.9	F787 L789 A790 L795 L796 P901 L904 K905 I908 V909	F787-F792 HydrophobicContact CB-CE2 4.41Å; L789-F792 PolarHBondContact O-N 2.82Å; L789-F792 VanDerWaalsContact O-N 3.07Å; A790-F792 PolarHBondContact O-N 2.91Å; F792-L795 PolarHBondContact O-N 3.45Å; F792-L796 VanDerWaalsContact O-CG 3.28Å; F792-L796 WeakPolarHBondContact O-CG 3.49Å; F792-L796 PolarHBondContact O-N 3.01Å; F792-L796 VanDerWaalsContact O-N 3.16Å; F792-P901 HydrophobicContact CB-CB 4.46Å; F792-L904 HydrophobicContact CB-CD2 4.35Å; F792-L904 HydrophobicContact CD1-CD2 4.29Å; F792-L904 HydrophobicContact CD1-CG 4.07Å; F792-K905 HydrophobicContact CD1-CB 4.13Å; F792-K905 HydrophobicContact CD2-CB 3.7Å; F792-K905 HydrophobicContact CD2-CD 4.07Å; F792-K905 HydrophobicContact CD2-CG 3.92Å; F792-K905 HydrophobicContact CE1-CB 4.2Å; F792-K905 HydrophobicContact CE1-CG 4.49Å; F792-K905 HydrophobicContact CE2-CB 3.78Å; F792-K905 HydrophobicContact CE2-CD 3.85Å; F792-K905 HydrophobicContact CE2-CG 3.53Å; F792-K905 HydrophobicContact CG-CB 3.88Å; F792-K905 HydrophobicContact CZ-CB 4.03Å; F792-K905 HydrophobicContact CZ-CG 3.85Å; F792-I908 HydrophobicContact CD1-CD1 4.17Å; F792-I908 HydrophobicContact CE1-CB 4.17Å; F792-I908 HydrophobicContact CE1-CD1 3.92Å; F792-I908 HydrophobicContact CE1-CG2 4.34Å; F792-V909 HydrophobicContact CE1-CG2 4.29Å; F792-V909 HydrophobicContact CE2-CG2 4.5Å; F792-V909 HydrophobicContact CZ-CG2 3.62Å
793	K	96.8	Very high	94.2	Very high	29 Å²	29	32.6 Å²	32.6	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-49.8	167.7	-74.3	178.5	178.2	168.8	0	111.5	L789 A790 L795 L796 D797 Q798 D804 P901	L789-K793 PolarHBondContact O-N 3.42Å; A790-K793 PolarHBondContact O-N 3.48Å; K793-L795 VanDerWaalsContact C-N 3.33Å; K793-L795 PolarHBondContact O-N 3.04Å; K793-L796 CarbonylContact O-C 3Å; K793-L796 WeakPolarHBondContact O-CA 3.39Å; K793-L796 PolarHBondContact O-N 2.84Å; K793-D797 PolarHBondContact O-N 3.34Å; K793-Q798 CarbonylContact C-O 3.51Å; K793-Q798 HydrophobicContact CB-CB 3.97Å; K793-Q798 HydrophobicContact CG-CB 4.34Å; K793-Q798 WeakPolarHBondContact O-CA 3.5Å; K793-Q798 WeakPolarHBondContact O-CB 3.37Å; K793-Q798 PolarHBondContact O-N 3.16Å; K793-D804 WeakPolarHBondContact CE-OD1 3.47Å; K793-D804 IonicContact NZ-OD1 3.2Å; K793-D804 PolarHBondContact NZ-OD1 2.98Å; K793-D804 IonicContact NZ-OD2 3.42Å; K793-D804 PolarHBondContact NZ-OD2 2.99Å; K793-P901 HydrophobicContact CG-CB 3.77Å; K793-P901 HydrophobicContact CG-CG 3.69Å
794	K	96.1	Very high	94.6	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-35.9	179.5	-70	171.5	62.9	70.9	0	113.1	W754 A790 L791 L796 D797 P800 F872 N873 Y880	W754-K794 HydrophobicContact CH2-CD 3.9Å; W754-K794 HydrophobicContact CZ2-CD 4.19Å; A790-K794 VanDerWaalsContact O-CG 3.26Å; A790-K794 WeakPolarHBondContact O-CG 3.4Å; A790-K794 PolarHBondContact O-N 2.89Å; L791-K794 PolarHBondContact O-N 3.21Å; K794-L796 PolarHBondContact O-N 3Å; K794-D797 PolarHBondContact O-N 2.95Å; K794-P800 HydrophobicContact CD-CG 4.22Å; K794-P800 HydrophobicContact CG-CG 3.8Å; K794-F872 WeakPolarHBondContact CE-O 3.05Å; K794-F872 PolarHBondContact NZ-O 3.19Å; K794-N873 PolarHBondContact NZ-OD1 2.74Å; K794-Y880 HydrophobicContact CB-CE1 4.32Å; K794-Y880 HydrophobicContact CB-CE2 3.97Å; K794-Y880 VanDerWaalsContact CB-OH 3.28Å; K794-Y880 WeakPolarHBondContact CB-OH 3.41Å; K794-Y880 HydrophobicContact CD-CE2 4.32Å; K794-Y880 VanDerWaalsContact CE-CD2 3.49Å; K794-Y880 VanDerWaalsContact CE-CE2 3.48Å; K794-Y880 PolarHBondContact O-OH 3.19Å
795	L	96	Very high	94.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-34.1	174.2	-76.5	173.5	0	0	0	111.3	L791 F792 K793 D797 Y880 F883 F887 Y888 L904	L791-L795 PolarHBondContact O-N 3.21Å; F792-L795 PolarHBondContact O-N 3.45Å; K793-L795 VanDerWaalsContact C-N 3.33Å; K793-L795 PolarHBondContact O-N 3.04Å; L795-D797 VanDerWaalsContact C-N 3.29Å; L795-D797 PolarHBondContact O-N 2.93Å; L795-Y880 PolarHBondContact N-OH 3.02Å; L795-F883 HydrophobicContact CD1-CE1 4.42Å; L795-F883 HydrophobicContact CD2-CE1 4.07Å; L795-F883 HydrophobicContact CG-CE1 4.48Å; L795-F887 HydrophobicContact CD1-CD1 4.42Å; L795-F887 HydrophobicContact CD1-CE1 4.23Å; L795-F887 HydrophobicContact CD1-CZ 4.28Å; L795-F887 HydrophobicContact CD2-CD1 3.83Å; L795-F887 HydrophobicContact CD2-CE1 4.28Å; L795-F887 HydrophobicContact CD2-CG 4.22Å; L795-Y888 HydrophobicContact CD2-CE2 4.08Å; L795-Y888 PolarHBondContact O-OH 3.32Å; L795-L904 HydrophobicContact CB-CD2 4.21Å; L795-L904 HydrophobicContact CD1-CD2 4.37Å
796	L	95.2	Very high	94.9	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	12.5	178	-61.2	171.9	0	0	0	113.8	F792 K793 K794 Q798 I896 F899 P901 L904	F792-L796 VanDerWaalsContact O-CG 3.28Å; F792-L796 WeakPolarHBondContact O-CG 3.49Å; F792-L796 PolarHBondContact O-N 3.01Å; F792-L796 VanDerWaalsContact O-N 3.16Å; K793-L796 CarbonylContact O-C 3Å; K793-L796 WeakPolarHBondContact O-CA 3.39Å; K793-L796 PolarHBondContact O-N 2.84Å; K794-L796 PolarHBondContact O-N 3Å; L796-Q798 HydrophobicContact CB-CG 4.24Å; L796-Q798 PolarHBondContact O-N 3.1Å; L796-I896 HydrophobicContact CD2-CG2 3.99Å; L796-I896 WeakPolarHBondContact CD2-O 3.42Å; L796-F899 WeakPolarHBondContact CD1-O 3.1Å; L796-P901 HydrophobicContact CD1-CB 4.26Å; L796-P901 HydrophobicContact CD1-CG 3.92Å; L796-L904 HydrophobicContact CD1-CB 4.48Å; L796-L904 HydrophobicContact CD1-CD2 4.21Å; L796-L904 HydrophobicContact CD2-CD2 4.01Å; L796-L904 HydrophobicContact CG-CD2 3.92Å
797	D	94.1	Very high	95	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.1	-174.8	-60.9	-47.7	0	0	0	113.9	K793 K794 L795 R884 K897	K793-D797 PolarHBondContact O-N 3.34Å; K794-D797 PolarHBondContact O-N 2.95Å; L795-D797 VanDerWaalsContact C-N 3.29Å; L795-D797 PolarHBondContact O-N 2.93Å; D797-R884 IonicContact OD1-CZ 3.28Å; D797-R884 VanDerWaalsContact OD1-CZ 3.25Å; D797-R884 IonicContact OD1-NH1 2.74Å; D797-R884 PolarHBondContact OD1-NH1 3.12Å; D797-R884 IonicContact OD1-NH2 2.7Å; D797-R884 PolarHBondContact OD1-NH2 3.08Å; D797-R884 IonicContact OD2-NH2 3.53Å; D797-R884 PolarHBondContact OD2-NH2 3.49Å; D797-K897 WeakPolarHBondContact OD2-CE 3.32Å; D797-K897 IonicContact OD2-NZ 3.03Å; D797-K897 PolarHBondContact OD2-NZ 3.1Å
798	Q	93.8	Very high	95	Very high	84 Å²	84	33.8 Å²	33.8	39%	0.393	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-97.3	145.4	173.2	-60.2	-175.4	17.8	0	0	111.6	K793 L796 P800 P901	K793-Q798 CarbonylContact C-O 3.51Å; K793-Q798 HydrophobicContact CB-CB 3.97Å; K793-Q798 HydrophobicContact CG-CB 4.34Å; K793-Q798 WeakPolarHBondContact O-CA 3.5Å; K793-Q798 WeakPolarHBondContact O-CB 3.37Å; K793-Q798 PolarHBondContact O-N 3.16Å; L796-Q798 HydrophobicContact CB-CG 4.24Å; L796-Q798 PolarHBondContact O-N 3.1Å; Q798-P800 WeakPolarHBondContact O-CD 3.5Å; Q798-P901 VanDerWaalsContact OE1-CG 3.28Å
799	M	92.3	Very high	94.9	Very high	149 Å²	149	34.2 Å²	34.2	73%	0.734	17%	0.172	S	C	*	.	P	Polyproline II helix	trans	-76.6	128.7	179.2	-69.2	-66.9	-176.6	0	0	111.4
800	P	95.6	Very high	94.8	Very high	15 Å²	15	35 Å²	35	10%	0.097	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-61.3	151.9	167.6	-26.7	39.1	0	0	0	112.4	A790 K794 Q798 F872	A790-P800 HydrophobicContact CB-CB 3.93Å; A790-P800 HydrophobicContact CB-CG 4Å; K794-P800 HydrophobicContact CD-CG 4.22Å; K794-P800 HydrophobicContact CG-CG 3.8Å; Q798-P800 WeakPolarHBondContact O-CD 3.5Å; P800-F872 HydrophobicContact CB-CB 4.04Å; P800-F872 HydrophobicContact CB-CD1 4.39Å; P800-F872 HydrophobicContact CB-CD2 3.47Å; P800-F872 VanDerWaalsContact CB-CD2 3.47Å; P800-F872 HydrophobicContact CB-CE2 3.93Å; P800-F872 HydrophobicContact CB-CG 3.73Å; P800-F872 HydrophobicContact CG-CB 3.79Å; P800-F872 HydrophobicContact CG-CD2 4.19Å; P800-F872 HydrophobicContact CG-CG 3.94Å
801	S	94.9	Very high	94.5	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	20%	0.203	S	C	.	.			trans	-121.2	173.9	-174.2	69.2	0	0	0	0	111.3	E803 D804 L805	S801-E803 PolarHBondContact O-N 3.17Å; S801-D804 WeakPolarHBondContact CA-OD2 3.49Å; S801-D804 WeakPolarHBondContact CB-OD2 3.39Å; S801-D804 PolarHBondContact N-OD2 3.12Å; S801-D804 PolarHBondContact O-N 3.28Å; S801-D804 VanDerWaalsContact O-N 3.12Å; S801-D804 PolarHBondContact OG-OD2 2.73Å; S801-L805 PolarHBondContact O-N 3Å
802	L	95.4	Very high	94.2	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-31.7	176.2	-177.6	59.1	0	0	0	112.4	D804 L805 K806 L816 Q817 L820 V864 I868	L802-D804 VanDerWaalsContact C-N 3.3Å; L802-D804 PolarHBondContact O-N 2.9Å; L802-L805 HydrophobicContact CD1-CB 4.49Å; L802-L805 HydrophobicContact CD1-CD2 4.34Å; L802-L805 WeakPolarHBondContact O-CB 3.4Å; L802-L805 PolarHBondContact O-N 3.13Å; L802-K806 WeakPolarHBondContact O-CG 3.48Å; L802-K806 PolarHBondContact O-N 3.29Å; L802-L816 HydrophobicContact CD1-CB 4.01Å; L802-Q817 HydrophobicContact CD2-CB 4.18Å; L802-Q817 VanDerWaalsContact CD2-OE1 3.24Å; L802-L820 HydrophobicContact CD2-CD1 3.78Å; L802-V864 HydrophobicContact CD1-CG1 4.42Å; L802-I868 HydrophobicContact CB-CD1 3.85Å; L802-I868 HydrophobicContact CD1-CD1 4.19Å
803	E	94.9	Very high	94	Very high	113 Å²	113	40.8 Å²	40.8	53%	0.528	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-36.5	175	-64.4	-53.1	131.1	0	0	111.8	S801 L805 K806 E807	S801-E803 PolarHBondContact O-N 3.17Å; E803-L805 VanDerWaalsContact C-N 3.28Å; E803-L805 PolarHBondContact O-N 2.89Å; E803-K806 WeakPolarHBondContact O-CB 3.32Å; E803-K806 PolarHBondContact O-N 3.1Å; E803-K806 IonicContact OE1-NZ 2.68Å; E803-K806 PolarHBondContact OE1-NZ 2.92Å; E803-K806 IonicContact OE2-NZ 2.74Å; E803-E807 PolarHBondContact O-N 3.1Å
804	D	95	Very high	93.8	Very high	3 Å²	3	45 Å²	45	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-30.6	175.9	-49.6	-74.2	0	0	0	111.5	A790 K793 S801 L802 E807 L808 F872	A790-D804 HydrophobicContact CB-CB 3.75Å; K793-D804 WeakPolarHBondContact CE-OD1 3.47Å; K793-D804 IonicContact NZ-OD1 3.2Å; K793-D804 PolarHBondContact NZ-OD1 2.98Å; K793-D804 IonicContact NZ-OD2 3.42Å; K793-D804 PolarHBondContact NZ-OD2 2.99Å; S801-D804 WeakPolarHBondContact CA-OD2 3.49Å; S801-D804 WeakPolarHBondContact CB-OD2 3.39Å; S801-D804 PolarHBondContact N-OD2 3.12Å; S801-D804 PolarHBondContact O-N 3.28Å; S801-D804 VanDerWaalsContact O-N 3.12Å; S801-D804 PolarHBondContact OG-OD2 2.73Å; L802-D804 VanDerWaalsContact C-N 3.3Å; L802-D804 PolarHBondContact O-N 2.9Å; D804-E807 PolarHBondContact O-N 2.9Å; D804-L808 PolarHBondContact O-N 3.16Å; D804-F872 HydrophobicContact CB-CE2 4.43Å; D804-F872 HydrophobicContact CB-CZ 4.16Å
805	L	94	Very high	93.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.5	-36	172.1	-175	57.3	0	0	0	111.9	S801 L802 E803 E807 L808 S809 L812 L816 I868 I871 F872	S801-L805 PolarHBondContact O-N 3Å; L802-L805 HydrophobicContact CD1-CB 4.49Å; L802-L805 HydrophobicContact CD1-CD2 4.34Å; L802-L805 WeakPolarHBondContact O-CB 3.4Å; L802-L805 PolarHBondContact O-N 3.13Å; E803-L805 VanDerWaalsContact C-N 3.28Å; E803-L805 PolarHBondContact O-N 2.89Å; L805-E807 VanDerWaalsContact C-N 3.27Å; L805-E807 PolarHBondContact O-N 2.94Å; L805-L808 PolarHBondContact O-N 3.01Å; L805-S809 CarbonylContact O-C 3.6Å; L805-S809 PolarHBondContact O-N 3.41Å; L805-L812 HydrophobicContact CD1-CD2 4.33Å; L805-L812 HydrophobicContact CD2-CD2 4.49Å; L805-L812 HydrophobicContact CD2-CG 4.45Å; L805-L816 HydrophobicContact CD2-CD1 3.55Å; L805-I868 HydrophobicContact CD2-CG1 4.17Å; L805-I871 HydrophobicContact CD1-CD1 3.59Å; L805-I871 HydrophobicContact CD1-CG2 4.39Å; L805-I871 HydrophobicContact CD2-CD1 4.07Å; L805-F872 HydrophobicContact CB-CE2 4Å; L805-F872 HydrophobicContact CB-CZ 4.22Å; L805-F872 HydrophobicContact CD1-CE2 4.41Å; L805-F872 HydrophobicContact CD1-CZ 4.34Å
806	K	93.5	Very high	93.5	Very high	45 Å²	45	49.6 Å²	49.6	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-31.8	172.1	-69.2	171	-173.5	166.8	0	112.1	L802 E803 P810	L802-K806 WeakPolarHBondContact O-CG 3.48Å; L802-K806 PolarHBondContact O-N 3.29Å; E803-K806 WeakPolarHBondContact O-CB 3.32Å; E803-K806 PolarHBondContact O-N 3.1Å; E803-K806 IonicContact OE1-NZ 2.68Å; E803-K806 PolarHBondContact OE1-NZ 2.92Å; E803-K806 IonicContact OE2-NZ 2.74Å; K806-P810 VanDerWaalsContact O-CA 3.23Å; K806-P810 WeakPolarHBondContact O-CA 3.48Å; K806-P810 WeakPolarHBondContact O-CD 3.31Å; K806-P810 WeakPolarHBondContact O-CG 3.46Å
807	E	93.6	Very high	93.5	Very high	62 Å²	62	51 Å²	51	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-41.2	171.9	-170.7	-177.6	-177.5	0	0	111.4	P788 L789 E803 D804 L805 K905	P788-E807 HydrophobicContact CB-CB 4.23Å; P788-E807 HydrophobicContact CB-CG 4.06Å; L789-E807 WeakPolarHBondContact CB-OE2 3.19Å; L789-E807 PolarHBondContact N-OE2 2.84Å; E803-E807 PolarHBondContact O-N 3.1Å; D804-E807 PolarHBondContact O-N 2.9Å; L805-E807 VanDerWaalsContact C-N 3.27Å; L805-E807 PolarHBondContact O-N 2.94Å; E807-K905 IonicContact OE1-NZ 3.43Å; E807-K905 PolarHBondContact OE1-NZ 3.29Å
808	L	93.6	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.3	-46.1	-178.8	178	58.1	0	0	0	113.7	P747 S751 C752 W754 P788 D804 L805 W839 I871 F872	P747-L808 HydrophobicContact CG-CD1 3.78Å; P747-L808 HydrophobicContact CG-CG 4Å; S751-L808 VanDerWaalsContact CB-O 3.27Å; S751-L808 WeakPolarHBondContact CB-O 3.47Å; C752-L808 HydrophobicContact CB-CD1 4.19Å; W754-L808 HydrophobicContact CB-CD1 3.71Å; W754-L808 HydrophobicContact CB-CD2 4.02Å; W754-L808 HydrophobicContact CD2-CD2 4.09Å; W754-L808 HydrophobicContact CG-CD1 4.34Å; W754-L808 HydrophobicContact CG-CD2 3.8Å; P788-L808 HydrophobicContact CB-CB 4.29Å; P788-L808 HydrophobicContact CG-CB 4.19Å; P788-L808 HydrophobicContact CG-CD1 4.34Å; D804-L808 PolarHBondContact O-N 3.16Å; L805-L808 PolarHBondContact O-N 3.01Å; L808-W839 HydrophobicContact CD2-CH2 4.11Å; L808-W839 HydrophobicContact CD2-CZ2 4.12Å; L808-W839 HydrophobicContact CG-CH2 4.46Å; L808-I871 HydrophobicContact CD2-CG2 4.13Å; L808-F872 HydrophobicContact CB-CZ 4.44Å; L808-F872 HydrophobicContact CD2-CE1 3.69Å; L808-F872 HydrophobicContact CD2-CZ 4.11Å
809	S	92.8	Very high	93.3	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.063	24%	0.244	C	C	.	.			trans	-140.8	87.9	177.9	178.9	0	0	0	0	108.7	E748 L805 D811 L812 G813	E748-S809 VanDerWaalsContact OE1-C 3.29Å; E748-S809 VanDerWaalsContact OE1-CA 3.26Å; E748-S809 WeakPolarHBondContact OE1-CA 3.28Å; E748-S809 WeakPolarHBondContact OE1-CB 3.49Å; E748-S809 PolarHBondContact OE1-OG 3.03Å; L805-S809 CarbonylContact O-C 3.6Å; L805-S809 PolarHBondContact O-N 3.41Å; S809-D811 PolarHBondContact O-N 3.46Å; S809-L812 PolarHBondContact O-N 2.85Å; S809-L812 VanDerWaalsContact OG-CB 3.28Å; S809-L812 WeakPolarHBondContact OG-CB 3.38Å; S809-G813 PolarHBondContact O-N 3.42Å
810	P	92.4	Very high	93.4	Very high	40 Å²	40	42.1 Å²	42.1	26%	0.26	22%	0.22	S	C	.	.	H	α-helix	trans	-48.5	-42.5	179.8	-30	31.3	0	0	0	114.4	E748 K806 K814	E748-P810 WeakPolarHBondContact OE2-CD 3.41Å; K806-P810 VanDerWaalsContact O-CA 3.23Å; K806-P810 WeakPolarHBondContact O-CA 3.48Å; K806-P810 WeakPolarHBondContact O-CD 3.31Å; K806-P810 WeakPolarHBondContact O-CG 3.46Å; P810-K814 WeakPolarHBondContact O-CB 3.45Å; P810-K814 WeakPolarHBondContact O-CD 3.37Å; P810-K814 WeakPolarHBondContact O-CG 3.42Å; P810-K814 PolarHBondContact O-N 2.97Å
811	D	90.6	Very high	93.2	Very high	95 Å²	95	46.5 Å²	46.5	51%	0.508	24%	0.242	S	C	.	.	H	α-helix	trans	-71.6	-46	-176.2	-70.3	-22.3	0	0	0	111.1	E748 S809 K814 N815	E748-D811 PolarHBondContact OE1-N 3.41Å; S809-D811 PolarHBondContact O-N 3.46Å; D811-K814 PolarHBondContact O-N 2.9Å; D811-N815 WeakPolarHBondContact O-CB 3.43Å; D811-N815 PolarHBondContact O-N 3.34Å; D811-N815 PolarHBondContact O-ND2 2.83Å
812	L	91.3	Very high	92.9	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-44.9	176.1	-179.1	59.9	0	0	0	111.7	L805 S809 K814 N815 L816 W839 Y867 I871	L805-L812 HydrophobicContact CD1-CD2 4.33Å; L805-L812 HydrophobicContact CD2-CD2 4.49Å; L805-L812 HydrophobicContact CD2-CG 4.45Å; S809-L812 PolarHBondContact O-N 2.85Å; S809-L812 VanDerWaalsContact OG-CB 3.28Å; S809-L812 WeakPolarHBondContact OG-CB 3.38Å; L812-K814 VanDerWaalsContact C-N 3.35Å; L812-K814 PolarHBondContact O-N 3.29Å; L812-N815 PolarHBondContact O-N 3.37Å; L812-L816 HydrophobicContact CD1-CD1 4.39Å; L812-L816 HydrophobicContact CD1-CG 4.37Å; L812-L816 HydrophobicContact CG-CD1 4.33Å; L812-L816 WeakPolarHBondContact O-CG 3.3Å; L812-L816 PolarHBondContact O-N 2.91Å; L812-W839 HydrophobicContact CD2-CE3 3.95Å; L812-W839 HydrophobicContact CD2-CZ3 3.71Å; L812-Y867 HydrophobicContact CD2-CE1 4.24Å; L812-I871 HydrophobicContact CD2-CD1 3.89Å
813	G	92.4	Very high	92.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-40.3	178.4	0	0	0	0	0	112.8	S809 Q817	S809-G813 PolarHBondContact O-N 3.42Å; G813-Q817 WeakPolarHBondContact O-CB 3.3Å; G813-Q817 PolarHBondContact O-N 3.05Å
814	K	92.8	Very high	91.9	Very high	118 Å²	118	49.4 Å²	49.4	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-38.4	174.2	-74.3	169	-170.1	166.8	0	112.4	P810 D811 L812 Q817 T818	P810-K814 WeakPolarHBondContact O-CB 3.45Å; P810-K814 WeakPolarHBondContact O-CD 3.37Å; P810-K814 WeakPolarHBondContact O-CG 3.42Å; P810-K814 PolarHBondContact O-N 2.97Å; D811-K814 PolarHBondContact O-N 2.9Å; L812-K814 VanDerWaalsContact C-N 3.35Å; L812-K814 PolarHBondContact O-N 3.29Å; K814-Q817 PolarHBondContact O-N 2.89Å; K814-T818 WeakPolarHBondContact O-CB 3.35Å; K814-T818 PolarHBondContact O-N 2.94Å; K814-T818 PolarHBondContact O-OG1 3.4Å
815	N	91.6	Very high	91.1	Very high	105 Å²	105	58 Å²	58	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-63.9	-44.7	176.9	-70.3	-20.5	0	0	0	111.4	D811 L812 Q817 T818 L819	D811-N815 WeakPolarHBondContact O-CB 3.43Å; D811-N815 PolarHBondContact O-N 3.34Å; D811-N815 PolarHBondContact O-ND2 2.83Å; L812-N815 PolarHBondContact O-N 3.37Å; N815-Q817 VanDerWaalsContact C-N 3.34Å; N815-Q817 PolarHBondContact O-N 3.33Å; N815-T818 WeakPolarHBondContact O-CB 3.4Å; N815-T818 PolarHBondContact O-N 3.39Å; N815-L819 PolarHBondContact O-N 3Å
816	L	93.4	Very high	90.6	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-33.6	176.3	-65.6	176.2	0	0	0	112.5	L802 L805 L812 L819 L820 Y863 V864 Y867	L802-L816 HydrophobicContact CD1-CB 4.01Å; L805-L816 HydrophobicContact CD2-CD1 3.55Å; L812-L816 HydrophobicContact CD1-CD1 4.39Å; L812-L816 HydrophobicContact CD1-CG 4.37Å; L812-L816 HydrophobicContact CG-CD1 4.33Å; L812-L816 WeakPolarHBondContact O-CG 3.3Å; L812-L816 PolarHBondContact O-N 2.91Å; L816-L819 WeakPolarHBondContact O-CB 3.35Å; L816-L819 PolarHBondContact O-N 3.25Å; L816-L820 WeakPolarHBondContact O-CG 3.4Å; L816-L820 PolarHBondContact O-N 3.4Å; L816-L820 VanDerWaalsContact O-N 3.07Å; L816-Y863 HydrophobicContact CD2-CE1 4.07Å; L816-V864 HydrophobicContact CB-CG1 4.4Å; L816-V864 HydrophobicContact CB-CG2 4.38Å; L816-V864 HydrophobicContact CD2-CG2 4.3Å; L816-Y867 HydrophobicContact CD1-CD2 4.19Å; L816-Y867 HydrophobicContact CD1-CG 4.2Å; L816-Y867 HydrophobicContact CD2-CD2 3.92Å; L816-Y867 HydrophobicContact CD2-CE2 4.25Å
817	Q	95.4	Very high	90.2	Very high	46 Å²	46	59.7 Å²	59.7	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-46	171.2	-174.3	68.3	65.4	0	0	111.3	L802 G813 K814 N815 L819 L820 D821	L802-Q817 HydrophobicContact CD2-CB 4.18Å; L802-Q817 VanDerWaalsContact CD2-OE1 3.24Å; G813-Q817 WeakPolarHBondContact O-CB 3.3Å; G813-Q817 PolarHBondContact O-N 3.05Å; K814-Q817 PolarHBondContact O-N 2.89Å; N815-Q817 VanDerWaalsContact C-N 3.34Å; N815-Q817 PolarHBondContact O-N 3.33Å; Q817-L819 PolarHBondContact O-N 3.11Å; Q817-L820 WeakPolarHBondContact O-CB 3.47Å; Q817-L820 PolarHBondContact O-N 3.32Å; Q817-D821 WeakPolarHBondContact CG-OD2 3.44Å; Q817-D821 PolarHBondContact NE2-OD1 3.34Å; Q817-D821 PolarHBondContact NE2-OD2 3.22Å; Q817-D821 WeakPolarHBondContact O-CB 3.31Å; Q817-D821 PolarHBondContact O-N 3.43Å
818	T	92.8	Very high	89.7	Confident	80 Å²	80	61.6 Å²	61.6	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-57.9	-39.9	177	-54.8	0	0	0	0	110.9	K814 N815 D821 D822	K814-T818 WeakPolarHBondContact O-CB 3.35Å; K814-T818 PolarHBondContact O-N 2.94Å; K814-T818 PolarHBondContact O-OG1 3.4Å; N815-T818 WeakPolarHBondContact O-CB 3.4Å; N815-T818 PolarHBondContact O-N 3.39Å; T818-D821 PolarHBondContact O-N 3.45Å; T818-D822 PolarHBondContact O-N 3.39Å; T818-D822 VanDerWaalsContact O-N 3.09Å
819	L	91.9	Very high	89.1	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-38	174.5	-175.4	143.8	0	0	0	112.8	N815 L816 Q817 F827 F831 I833 K860 V864	N815-L819 PolarHBondContact O-N 3Å; L816-L819 WeakPolarHBondContact O-CB 3.35Å; L816-L819 PolarHBondContact O-N 3.25Å; Q817-L819 PolarHBondContact O-N 3.11Å; L819-F827 HydrophobicContact CD1-CZ 4.14Å; L819-F827 HydrophobicContact CD2-CZ 4Å; L819-F827 HydrophobicContact CG-CE2 4.06Å; L819-F827 HydrophobicContact CG-CZ 3.72Å; L819-F827 WeakPolarHBondContact O-CE2 3.14Å; L819-F831 HydrophobicContact CB-CE1 4.47Å; L819-F831 HydrophobicContact CD1-CD1 4.29Å; L819-F831 HydrophobicContact CD1-CG 4.46Å; L819-I833 HydrophobicContact CD1-CD1 3.26Å; L819-I833 HydrophobicContact CD1-CG1 4.3Å; L819-K860 HydrophobicContact CD2-CB 3.78Å; L819-V864 HydrophobicContact CD2-CG2 3.89Å
820	L	92.6	Very high	88.6	Confident	44 Å²	44	73 Å²	73	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-69.6	-38.5	175.2	-71.9	175.5	0	0	0	112.4	L802 L816 Q817 D822 K860 R861 V864	L802-L820 HydrophobicContact CD2-CD1 3.78Å; L816-L820 WeakPolarHBondContact O-CG 3.4Å; L816-L820 PolarHBondContact O-N 3.4Å; L816-L820 VanDerWaalsContact O-N 3.07Å; Q817-L820 WeakPolarHBondContact O-CB 3.47Å; Q817-L820 PolarHBondContact O-N 3.32Å; L820-D822 VanDerWaalsContact C-N 3.34Å; L820-K860 WeakPolarHBondContact O-CE 3.42Å; L820-K860 PolarHBondContact O-NZ 2.74Å; L820-R861 HydrophobicContact CD2-CG 3.99Å; L820-V864 HydrophobicContact CD1-CB 4.42Å; L820-V864 HydrophobicContact CD1-CG1 4.03Å; L820-V864 HydrophobicContact CD1-CG2 4.39Å; L820-V864 HydrophobicContact CD2-CB 4.18Å; L820-V864 HydrophobicContact CD2-CG2 3.86Å; L820-V864 HydrophobicContact CG-CB 4.42Å; L820-V864 HydrophobicContact CG-CG1 4.47Å; L820-V864 HydrophobicContact CG-CG2 3.93Å
821	D	92.4	Very high	88.3	Confident	107 Å²	107	73.8 Å²	73.8	57%	0.572	38%	0.381	S	S	*	.	H	α-helix	trans	-78.2	-16.8	-174.5	-63.4	-11.9	0	0	0	113	Q817 T818 E823	Q817-D821 WeakPolarHBondContact CG-OD2 3.44Å; Q817-D821 PolarHBondContact NE2-OD1 3.34Å; Q817-D821 PolarHBondContact NE2-OD2 3.22Å; Q817-D821 WeakPolarHBondContact O-CB 3.31Å; Q817-D821 PolarHBondContact O-N 3.43Å; T818-D821 PolarHBondContact O-N 3.45Å; D821-E823 PolarHBondContact O-N 3.18Å
822	D	88.8	Confident	88.1	Confident	43 Å²	43	76.7 Å²	76.7	23%	0.23	39%	0.386	C	S	.	.			trans	-72.5	114.5	179.1	-171.4	-83.4	0	0	0	112.5	T818 L820 G824 F827 F831 Q857 K860	T818-D822 PolarHBondContact O-N 3.39Å; T818-D822 VanDerWaalsContact O-N 3.09Å; L820-D822 VanDerWaalsContact C-N 3.34Å; D822-G824 PolarHBondContact OD1-N 3.07Å; D822-F827 HydrophobicContact CB-CD2 4.14Å; D822-F827 HydrophobicContact CB-CE2 4.29Å; D822-F827 WeakPolarHBondContact OD1-CD2 3.5Å; D822-F831 HydrophobicContact CB-CE2 3.81Å; D822-F831 HydrophobicContact CB-CZ 4.05Å; D822-Q857 PolarHBondContact O-NE2 2.81Å; D822-Q857 PolarHBondContact O-OE1 2.98Å; D822-K860 PolarHBondContact O-NZ 2.85Å
823	E	86.6	Confident	88.1	Confident	174 Å²	174	77.4 Å²	77.4	81%	0.813	39%	0.389	S	S	*	.			trans	-104.7	19.3	174.7	-59.3	-160.2	161	0	0	112.8	D821	D821-E823 PolarHBondContact O-N 3.18Å
824	G	83.5	Confident	88.2	Confident	21 Å²	21	79.2 Å²	79.2	22%	0.216	40%	0.398	C	S	.	.			trans	-70.3	141.1	-179.3	0	0	0	0	0	112.8	D822 N826 F827 Q857	D822-G824 PolarHBondContact OD1-N 3.07Å; G824-N826 PolarHBondContact O-N 3.49Å; G824-F827 PolarHBondContact O-N 3.5Å; G824-Q857 PolarHBondContact O-NE2 2.97Å
825	D	76.7	Confident	88.2	Confident	182 Å²	182	73.8 Å²	73.8	97%	0.973	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.7	174.5	-68.6	-33.7	0	0	0	112.7
826	N	83.1	Confident	88.3	Confident	79 Å²	79	71.9 Å²	71.9	42%	0.422	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	18.9	179.3	65.1	-19	0	0	0	113.6	G824 E828 E829 V830	G824-N826 PolarHBondContact O-N 3.49Å; N826-E828 VanDerWaalsContact C-N 3.26Å; N826-E828 PolarHBondContact O-N 3.48Å; N826-E828 VanDerWaalsContact O-N 3.15Å; N826-E829 PolarHBondContact O-N 2.85Å; N826-V830 HydrophobicContact CB-CG2 4.39Å; N826-V830 WeakPolarHBondContact ND2-CG2 3.43Å; N826-V830 WeakPolarHBondContact O-CG2 3.3Å; N826-V830 PolarHBondContact O-N 3.45Å
827	F	86.5	Confident	88.2	Confident	3 Å²	3	71.8 Å²	71.8	1%	0.013	36%	0.364	C	S	.	.	H	α-helix	trans	-47.3	-45.6	-176.9	-177.3	-84.3	0	0	0	113.8	L819 D822 G824 E829 V830 F831 V855 Q857 K860	L819-F827 HydrophobicContact CD1-CZ 4.14Å; L819-F827 HydrophobicContact CD2-CZ 4Å; L819-F827 HydrophobicContact CG-CE2 4.06Å; L819-F827 HydrophobicContact CG-CZ 3.72Å; L819-F827 WeakPolarHBondContact O-CE2 3.14Å; D822-F827 HydrophobicContact CB-CD2 4.14Å; D822-F827 HydrophobicContact CB-CE2 4.29Å; D822-F827 WeakPolarHBondContact OD1-CD2 3.5Å; G824-F827 PolarHBondContact O-N 3.5Å; F827-E829 VanDerWaalsContact C-N 3.32Å; F827-E829 PolarHBondContact O-N 2.77Å; F827-V830 PolarHBondContact O-N 3.49Å; F827-F831 HydrophobicContact CD1-CD2 4.31Å; F827-F831 AromaticContact CD2-CD2 3.66Å; F827-F831 HydrophobicContact CD2-CD2 3.66Å; F827-F831 AromaticContact CD2-CE2 3.7Å; F827-F831 HydrophobicContact CD2-CE2 3.7Å; F827-F831 HydrophobicContact CE1-CD2 4.29Å; F827-F831 AromaticContact CE2-CD2 3.62Å; F827-F831 HydrophobicContact CE2-CD2 3.62Å; F827-F831 AromaticContact CE2-CE2 3.67Å; F827-F831 HydrophobicContact CE2-CE2 3.67Å; F827-F831 HydrophobicContact CG-CD2 4.02Å; F827-F831 HydrophobicContact CG-CE2 4.45Å; F827-F831 AromaticContact CZ-CD2 3.96Å; F827-F831 HydrophobicContact CZ-CD2 3.96Å; F827-F831 HydrophobicContact CZ-CE2 4.42Å; F827-F831 WeakPolarHBondContact O-CD2 3.49Å; F827-F831 PolarHBondContact O-N 2.89Å; F827-V855 HydrophobicContact CE1-CG1 4.14Å; F827-V855 WeakPolarHBondContact CE1-O 3.26Å; F827-V855 HydrophobicContact CZ-CG1 4.41Å; F827-Q857 HydrophobicContact CB-CG 4.08Å; F827-Q857 HydrophobicContact CG-CG 4.32Å; F827-K860 HydrophobicContact CE2-CD 3.98Å; F827-K860 HydrophobicContact CZ-CB 4.03Å; F827-K860 HydrophobicContact CZ-CD 4.15Å
828	E	82.5	Confident	87.9	Confident	102 Å²	102	74.8 Å²	74.8	48%	0.477	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-33.5	-177.1	-63.8	171.6	166.3	0	0	112.2	N826 Y832 N856	N826-E828 VanDerWaalsContact C-N 3.26Å; N826-E828 PolarHBondContact O-N 3.48Å; N826-E828 VanDerWaalsContact O-N 3.15Å; E828-Y832 WeakPolarHBondContact O-CA 3.15Å; E828-Y832 PolarHBondContact O-N 2.89Å; E828-N856 HydrophobicContact CG-CB 3.81Å; E828-N856 WeakPolarHBondContact OE1-CB 3.33Å
829	E	80.3	Confident	87.9	Confident	166 Å²	166	71.6 Å²	71.6	78%	0.776	36%	0.357	S	S	*	.	H	α-helix	trans	-77.4	-34	176.9	-61.4	-176.7	168.9	0	0	112	N826 F827	N826-E829 PolarHBondContact O-N 2.85Å; F827-E829 VanDerWaalsContact C-N 3.32Å; F827-E829 PolarHBondContact O-N 2.77Å
830	V	83.4	Confident	87.7	Confident	82 Å²	82	73.3 Å²	73.3	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-76.1	-48.4	-176.7	172.5	0	0	0	0	111.9	N826 F827	N826-V830 HydrophobicContact CB-CG2 4.39Å; N826-V830 WeakPolarHBondContact ND2-CG2 3.43Å; N826-V830 WeakPolarHBondContact O-CG2 3.3Å; N826-V830 PolarHBondContact O-N 3.45Å; F827-V830 PolarHBondContact O-N 3.49Å
831	F	84.9	Confident	87.3	Confident	57 Å²	57	81.2 Å²	81.2	25%	0.25	39%	0.392	C	S	.	.	H	α-helix	trans	-93.4	-39.6	-174.7	-67	-79.3	0	0	0	112.8	L819 D822 F827 I833	L819-F831 HydrophobicContact CB-CE1 4.47Å; L819-F831 HydrophobicContact CD1-CD1 4.29Å; L819-F831 HydrophobicContact CD1-CG 4.46Å; D822-F831 HydrophobicContact CB-CE2 3.81Å; D822-F831 HydrophobicContact CB-CZ 4.05Å; F827-F831 HydrophobicContact CD1-CD2 4.31Å; F827-F831 AromaticContact CD2-CD2 3.66Å; F827-F831 HydrophobicContact CD2-CD2 3.66Å; F827-F831 AromaticContact CD2-CE2 3.7Å; F827-F831 HydrophobicContact CD2-CE2 3.7Å; F827-F831 HydrophobicContact CE1-CD2 4.29Å; F827-F831 AromaticContact CE2-CD2 3.62Å; F827-F831 HydrophobicContact CE2-CD2 3.62Å; F827-F831 AromaticContact CE2-CE2 3.67Å; F827-F831 HydrophobicContact CE2-CE2 3.67Å; F827-F831 HydrophobicContact CG-CD2 4.02Å; F827-F831 HydrophobicContact CG-CE2 4.45Å; F827-F831 AromaticContact CZ-CD2 3.96Å; F827-F831 HydrophobicContact CZ-CD2 3.96Å; F827-F831 HydrophobicContact CZ-CE2 4.42Å; F827-F831 WeakPolarHBondContact O-CD2 3.49Å; F827-F831 PolarHBondContact O-N 2.89Å; F831-I833 HydrophobicContact CB-CG1 4.49Å; F831-I833 VanDerWaalsContact O-CG2 3.29Å; F831-I833 WeakPolarHBondContact O-CG2 3.45Å; F831-I833 PolarHBondContact O-N 3.03Å; F831-I833 VanDerWaalsContact O-N 3.12Å
832	Y	87.4	Confident	87.1	Confident	155 Å²	155	78 Å²	78	61%	0.608	38%	0.375	S	S	*	.			trans	41.6	47.5	-178.8	-160.6	-108.4	0	0	0	114.4	E828 I854	E828-Y832 WeakPolarHBondContact O-CA 3.15Å; E828-Y832 PolarHBondContact O-N 2.89Å; Y832-I854 HydrophobicContact CE2-CD1 4.42Å
833	I	91.9	Very high	87.2	Confident	47 Å²	47	81.6 Å²	81.6	24%	0.241	40%	0.395	C	S	.	.			trans	-104.2	158.7	178.3	65.7	169	0	0	0	111.7	L819 F831 V855 Y863	L819-I833 HydrophobicContact CD1-CD1 3.26Å; L819-I833 HydrophobicContact CD1-CG1 4.3Å; F831-I833 HydrophobicContact CB-CG1 4.49Å; F831-I833 VanDerWaalsContact O-CG2 3.29Å; F831-I833 WeakPolarHBondContact O-CG2 3.45Å; F831-I833 PolarHBondContact O-N 3.03Å; F831-I833 VanDerWaalsContact O-N 3.12Å; I833-V855 HydrophobicContact CD1-CB 4.15Å; I833-V855 HydrophobicContact CD1-CG1 4.43Å; I833-V855 HydrophobicContact CD1-CG2 3.98Å; I833-V855 HydrophobicContact CG1-CB 3.71Å; I833-V855 HydrophobicContact CG1-CG1 4.46Å; I833-V855 HydrophobicContact CG1-CG2 3.71Å; I833-V855 PolarHBondContact O-N 3.39Å; I833-Y863 HydrophobicContact CD1-CD1 4.11Å; I833-Y863 HydrophobicContact CD1-CE1 3.52Å
834	H	93.1	Very high	87.4	Confident	38 Å²	38	75.5 Å²	75.5	18%	0.176	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-117.6	171.1	179.5	-64.4	70.7	0	0	0	110.3	N836 S851 I853 I854 Y863	H834-N836 PolarHBondContact O-N 3.09Å; H834-S851 PolarHBondContact CD2-O 2.83Å; H834-I853 CarbonylContact C-O 3.5Å; H834-I853 WeakPolarHBondContact CA-O 3.48Å; H834-I853 WeakPolarHBondContact CB-O 3.47Å; H834-I854 WeakPolarHBondContact NE2-CG1 3.36Å; H834-Y863 WeakPolarHBondContact O-CE2 3.17Å
835	F	93.9	Very high	87.9	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.018	38%	0.376	C	S	.	.	S	Bend	trans	-73.4	48.3	173.7	-85.2	-108.7	0	0	0	112.9	L846 I847 G850 I853 V855 N859 Y863	F835-L846 PolarHBondContact O-N 3.04Å; F835-I847 HydrophobicContact CB-CD1 3.78Å; F835-I847 HydrophobicContact CB-CG1 3.73Å; F835-I847 HydrophobicContact CD1-CD1 3.5Å; F835-I847 VanDerWaalsContact CD1-CD1 3.5Å; F835-I847 HydrophobicContact CD1-CG1 3.93Å; F835-I847 HydrophobicContact CD1-CG2 4.07Å; F835-I847 HydrophobicContact CD2-CD1 4.25Å; F835-I847 HydrophobicContact CE1-CD1 4.07Å; F835-I847 HydrophobicContact CG-CD1 3.59Å; F835-I847 HydrophobicContact CG-CG1 4.04Å; F835-G850 PolarHBondContact N-O 2.87Å; F835-G850 WeakPolarHBondContact O-CA 3.03Å; F835-I853 HydrophobicContact CD2-CB 4.26Å; F835-I853 HydrophobicContact CD2-CG2 3.71Å; F835-I853 HydrophobicContact CE2-CG2 4.09Å; F835-I853 HydrophobicContact CG-CG2 4.43Å; F835-I853 PolarHBondContact N-O 2.84Å; F835-V855 HydrophobicContact CD2-CG2 3.74Å; F835-V855 HydrophobicContact CE2-CB 4.5Å; F835-V855 HydrophobicContact CE2-CG2 3.81Å; F835-N859 HydrophobicContact CE2-CB 4.23Å; F835-N859 HydrophobicContact CZ-CB 4.03Å; F835-Y863 HydrophobicContact CD1-CD2 4.03Å; F835-Y863 HydrophobicContact CD2-CD2 4.24Å; F835-Y863 HydrophobicContact CE1-CD2 4.31Å; F835-Y863 HydrophobicContact CE2-CD2 4.49Å; F835-Y863 HydrophobicContact CG-CD2 4.01Å
836	N	92.2	Very high	88.7	Confident	66 Å²	66	70.3 Å²	70.3	35%	0.353	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.7	170.3	64.3	5.1	0	0	0	110.2	H834 T844 N845 Y863	H834-N836 PolarHBondContact O-N 3.09Å; N836-T844 CarbonylContact C-O 3.57Å; N836-T844 VanDerWaalsContact CA-O 3.29Å; N836-T844 WeakPolarHBondContact CA-O 3.21Å; N836-N845 WeakPolarHBondContact CB-OD1 3.41Å; N836-Y863 PolarHBondContact O-OH 3.34Å
837	V	92.2	Very high	89	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.4	-176.7	-61.4	0	0	0	0	110.7	D843 T844 L846 Y867 Y870	V837-D843 WeakPolarHBondContact O-CA 3.25Å; V837-T844 PolarHBondContact N-O 2.59Å; V837-T844 PolarHBondContact O-N 2.83Å; V837-L846 HydrophobicContact CB-CD2 4.45Å; V837-L846 HydrophobicContact CG1-CD1 3.56Å; V837-L846 HydrophobicContact CG1-CD2 3.75Å; V837-L846 HydrophobicContact CG1-CG 3.67Å; V837-L846 HydrophobicContact CG2-CD2 3.77Å; V837-L846 HydrophobicContact CG2-CG 4.3Å; V837-Y867 HydrophobicContact CB-CD1 4.41Å; V837-Y867 HydrophobicContact CB-CD2 4.44Å; V837-Y867 HydrophobicContact CB-CE1 3.87Å; V837-Y867 HydrophobicContact CB-CE2 3.96Å; V837-Y867 HydrophobicContact CG1-CD1 3.84Å; V837-Y867 HydrophobicContact CG1-CD2 3.37Å; V837-Y867 HydrophobicContact CG1-CE1 3.72Å; V837-Y867 HydrophobicContact CG1-CE2 3.28Å; V837-Y867 HydrophobicContact CG1-CG 3.65Å; V837-Y867 VanDerWaalsContact CG1-CZ 3.45Å; V837-Y870 HydrophobicContact CG2-CD1 3.66Å; V837-Y870 HydrophobicContact CG2-CE1 3.67Å; V837-Y870 HydrophobicContact CG2-CG 4.33Å
838	H	89.9	Confident	89.2	Confident	109 Å²	109	73.7 Å²	73.7	51%	0.505	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	167.2	-172.8	79.1	0	0	0	108.4	N842 D843 Y867	H838-N842 WeakPolarHBondContact CA-O 3.09Å; H838-D843 WeakPolarHBondContact CB-OD1 3.41Å; H838-D843 IonicContact CE1-OD1 3.69Å; H838-D843 IonicContact CG-OD1 3.86Å; H838-D843 IonicContact ND1-OD1 2.66Å; H838-D843 PolarHBondContact ND1-OD1 3.29Å; H838-D843 IonicContact ND1-OD2 3.3Å; H838-Y867 PolarHBondContact O-OH 3.23Å
839	W	91.2	Very high	89.5	Confident	13 Å²	13	74.6 Å²	74.6	5%	0.049	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.3	179.4	179.3	-107.1	0	0	0	110.3	M745 P747 L808 L812 R841 N842 Y870 I871	M745-W839 HydrophobicContact CE-CH2 4.11Å; M745-W839 HydrophobicContact CE-CZ2 3.75Å; M745-W839 HydrophobicContact SD-CZ2 4Å; P747-W839 HydrophobicContact CB-CH2 4.18Å; P747-W839 HydrophobicContact CG-CH2 3.84Å; P747-W839 HydrophobicContact CG-CZ2 4.46Å; L808-W839 HydrophobicContact CD2-CH2 4.11Å; L808-W839 HydrophobicContact CD2-CZ2 4.12Å; L808-W839 HydrophobicContact CG-CH2 4.46Å; L812-W839 HydrophobicContact CD2-CE3 3.95Å; L812-W839 HydrophobicContact CD2-CZ3 3.71Å; W839-R841 VanDerWaalsContact C-N 3.27Å; W839-R841 PolarHBondContact O-N 3.24Å; W839-N842 PolarHBondContact N-O 3.4Å; W839-N842 WeakPolarHBondContact O-CA 3.23Å; W839-N842 VanDerWaalsContact O-CB 3.26Å; W839-N842 WeakPolarHBondContact O-CB 3.28Å; W839-N842 PolarHBondContact O-N 3.35Å; W839-Y870 HydrophobicContact CB-CE1 4.12Å; W839-I871 HydrophobicContact CD2-CD1 4.09Å; W839-I871 HydrophobicContact CD2-CG1 3.87Å; W839-I871 HydrophobicContact CE3-CD1 3.91Å; W839-I871 HydrophobicContact CE3-CG1 4.22Å; W839-I871 HydrophobicContact CG-CG1 4.11Å; W839-I871 HydrophobicContact CH2-CD1 4.38Å; W839-I871 HydrophobicContact CH2-CG2 4.25Å; W839-I871 HydrophobicContact CZ2-CG2 3.71Å; W839-I871 HydrophobicContact CZ3-CD1 4.06Å
840	D	88.1	Confident	90	Very high	42 Å²	42	66.7 Å²	66.7	23%	0.225	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	47	48.3	-177.4	-167.6	26.9	0	0	0	113.4	M745 V757 N842	M745-D840 HydrophobicContact SD-CB 3.84Å; V757-D840 HydrophobicContact CB-CB 4.03Å; V757-D840 WeakPolarHBondContact CB-OD2 3.34Å; V757-D840 HydrophobicContact CG2-CB 3.56Å; V757-D840 PolarHBondContact N-OD2 3.02Å; D840-N842 PolarHBondContact O-N 3.49Å; D840-N842 VanDerWaalsContact O-N 3.09Å
841	R	85.4	Confident	90.3	Very high	209 Å²	209	65.5 Å²	65.5	79%	0.789	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	17.4	-177.9	-51	176.3	-179	-179.7	0.2	114.1	R758 W839	R758-R841 PolarHBondContact NH2-O 2.94Å; W839-R841 VanDerWaalsContact C-N 3.27Å; W839-R841 PolarHBondContact O-N 3.24Å
842	N	87.4	Confident	90.5	Very high	40 Å²	40	67.4 Å²	67.4	21%	0.214	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	-178.4	-170	60.3	0	0	0	110.3	V757 H838 W839 D840 T844 Y870	V757-N842 HydrophobicContact CG1-CB 4.17Å; H838-N842 WeakPolarHBondContact CA-O 3.09Å; W839-N842 PolarHBondContact N-O 3.4Å; W839-N842 WeakPolarHBondContact O-CA 3.23Å; W839-N842 VanDerWaalsContact O-CB 3.26Å; W839-N842 WeakPolarHBondContact O-CB 3.28Å; W839-N842 PolarHBondContact O-N 3.35Å; D840-N842 PolarHBondContact O-N 3.49Å; D840-N842 VanDerWaalsContact O-N 3.09Å; N842-T844 PolarHBondContact ND2-OG1 2.89Å; N842-Y870 PolarHBondContact ND2-OH 3.01Å
843	D	90.3	Very high	90.7	Very high	119 Å²	119	63 Å²	63	64%	0.636	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.8	174.6	-63.9	-59.2	0	0	0	109.3	V837 H838	V837-D843 WeakPolarHBondContact O-CA 3.25Å; H838-D843 WeakPolarHBondContact CB-OD1 3.41Å; H838-D843 IonicContact CE1-OD1 3.69Å; H838-D843 IonicContact CG-OD1 3.86Å; H838-D843 IonicContact ND1-OD1 2.66Å; H838-D843 PolarHBondContact ND1-OD1 3.29Å; H838-D843 IonicContact ND1-OD2 3.3Å
844	T	92.3	Very high	90.6	Very high	45 Å²	45	63.8 Å²	63.8	28%	0.276	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.7	-178.7	-66.3	0	0	0	0	111.4	N836 V837 N842 Y870	N836-T844 CarbonylContact C-O 3.57Å; N836-T844 VanDerWaalsContact CA-O 3.29Å; N836-T844 WeakPolarHBondContact CA-O 3.21Å; V837-T844 PolarHBondContact N-O 2.59Å; V837-T844 PolarHBondContact O-N 2.83Å; N842-T844 PolarHBondContact ND2-OG1 2.89Å; T844-Y870 WeakPolarHBondContact CB-OH 3.24Å; T844-Y870 HydrophobicContact CG2-CD2 4.48Å; T844-Y870 HydrophobicContact CG2-CE2 3.72Å; T844-Y870 PolarHBondContact OG1-OH 3.3Å
845	N	93.3	Very high	90.6	Very high	69 Å²	69	62 Å²	62	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.6	170.8	-68.2	-29.2	0	0	0	109.5	N836 I847 S851	N836-N845 WeakPolarHBondContact CB-OD1 3.41Å; N845-I847 VanDerWaalsContact C-N 3.27Å; N845-I847 WeakPolarHBondContact CB-O 3.38Å; N845-I847 PolarHBondContact O-N 2.82Å; N845-S851 WeakPolarHBondContact OD1-CB 3.19Å; N845-S851 PolarHBondContact OD1-N 3Å; N845-S851 VanDerWaalsContact OD1-N 3.13Å
846	L	92.3	Very high	90.5	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.136	34%	0.338	C	S	.	.	S	Bend	trans	-70.8	-25.1	179.3	-66.5	178.4	0	0	0	112.8	F835 V837 Y863 K866 Y870	F835-L846 PolarHBondContact O-N 3.04Å; V837-L846 HydrophobicContact CB-CD2 4.45Å; V837-L846 HydrophobicContact CG1-CD1 3.56Å; V837-L846 HydrophobicContact CG1-CD2 3.75Å; V837-L846 HydrophobicContact CG1-CG 3.67Å; V837-L846 HydrophobicContact CG2-CD2 3.77Å; V837-L846 HydrophobicContact CG2-CG 4.3Å; L846-Y863 HydrophobicContact CD1-CD2 3.84Å; L846-Y863 HydrophobicContact CD1-CE2 3.73Å; L846-K866 HydrophobicContact CB-CB 4.16Å; L846-K866 HydrophobicContact CD1-CB 4.03Å; L846-Y870 HydrophobicContact CD2-CD1 4.4Å; L846-Y870 HydrophobicContact CD2-CD2 4.42Å; L846-Y870 HydrophobicContact CD2-CG 3.88Å
847	I	90.9	Very high	90.4	Very high	37 Å²	37	63.7 Å²	63.7	19%	0.19	34%	0.337	C	S	.	.	S	Bend	trans	-135.4	162.1	177.1	64.2	-178.8	0	0	0	109.5	F835 N845 N849 G850 I853	F835-I847 HydrophobicContact CB-CD1 3.78Å; F835-I847 HydrophobicContact CB-CG1 3.73Å; F835-I847 HydrophobicContact CD1-CD1 3.5Å; F835-I847 VanDerWaalsContact CD1-CD1 3.5Å; F835-I847 HydrophobicContact CD1-CG1 3.93Å; F835-I847 HydrophobicContact CD1-CG2 4.07Å; F835-I847 HydrophobicContact CD2-CD1 4.25Å; F835-I847 HydrophobicContact CE1-CD1 4.07Å; F835-I847 HydrophobicContact CG-CD1 3.59Å; F835-I847 HydrophobicContact CG-CG1 4.04Å; N845-I847 VanDerWaalsContact C-N 3.27Å; N845-I847 WeakPolarHBondContact CB-O 3.38Å; N845-I847 PolarHBondContact O-N 2.82Å; I847-N849 PolarHBondContact O-N 2.87Å; I847-G850 PolarHBondContact O-N 3.49Å; I847-I853 HydrophobicContact CD1-CB 4.36Å; I847-I853 HydrophobicContact CD1-CD1 3.39Å; I847-I853 HydrophobicContact CD1-CG1 4.45Å; I847-I853 HydrophobicContact CD1-CG2 4.26Å; I847-I853 HydrophobicContact CG1-CD1 4.01Å
848	P	90.1	Very high	90.4	Very high	116 Å²	116	69.6 Å²	69.6	75%	0.753	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.9	173.8	-25.7	35.3	0	0	0	111.2	G850	P848-G850 PolarHBondContact O-N 3.31Å
849	N	89.1	Confident	90.5	Very high	121 Å²	121	65.9 Å²	65.9	65%	0.647	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	27.8	-174.7	-53.3	-34.8	0	0	0	114.7	I847 S851 S852	I847-N849 PolarHBondContact O-N 2.87Å; N849-S851 PolarHBondContact O-N 3.18Å; N849-S851 VanDerWaalsContact O-N 3.14Å; N849-S852 WeakPolarHBondContact O-CB 3.48Å; N849-S852 PolarHBondContact O-N 3.42Å
850	G	89.6	Confident	90.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-56	-31.5	-176.8	0	0	0	0	0	114.9	F835 I847 P848 S852 I853	F835-G850 PolarHBondContact N-O 2.87Å; F835-G850 WeakPolarHBondContact O-CA 3.03Å; I847-G850 PolarHBondContact O-N 3.49Å; P848-G850 PolarHBondContact O-N 3.31Å; G850-S852 PolarHBondContact O-N 2.93Å; G850-S852 VanDerWaalsContact O-N 3.11Å; G850-I853 PolarHBondContact O-N 3.09Å
851	S	89.8	Confident	90.9	Very high	57 Å²	57	73.3 Å²	73.3	40%	0.399	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-62.6	-13.9	173.2	55	0	0	0	0	114.6	H834 N845 N849	H834-S851 PolarHBondContact CD2-O 2.83Å; N845-S851 WeakPolarHBondContact OD1-CB 3.19Å; N845-S851 PolarHBondContact OD1-N 3Å; N845-S851 VanDerWaalsContact OD1-N 3.13Å; N849-S851 PolarHBondContact O-N 3.18Å; N849-S851 VanDerWaalsContact O-N 3.14Å
852	S	89.1	Confident	91.3	Very high	96 Å²	96	67 Å²	67	67%	0.671	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-105.6	0.4	176.2	-53.9	0	0	0	0	113.1	N849 G850	N849-S852 WeakPolarHBondContact O-CB 3.48Å; N849-S852 PolarHBondContact O-N 3.42Å; G850-S852 PolarHBondContact O-N 2.93Å; G850-S852 VanDerWaalsContact O-N 3.11Å
853	I	91.9	Very high	91.7	Very high	62 Å²	62	65.8 Å²	65.8	32%	0.318	36%	0.356	S	S	.	.			trans	-111.3	112	-176.3	-61.5	170.8	0	0	0	108.2	H834 F835 I847 G850	H834-I853 CarbonylContact C-O 3.5Å; H834-I853 WeakPolarHBondContact CA-O 3.48Å; H834-I853 WeakPolarHBondContact CB-O 3.47Å; F835-I853 HydrophobicContact CD2-CB 4.26Å; F835-I853 HydrophobicContact CD2-CG2 3.71Å; F835-I853 HydrophobicContact CE2-CG2 4.09Å; F835-I853 HydrophobicContact CG-CG2 4.43Å; F835-I853 PolarHBondContact N-O 2.84Å; I847-I853 HydrophobicContact CD1-CB 4.36Å; I847-I853 HydrophobicContact CD1-CD1 3.39Å; I847-I853 HydrophobicContact CD1-CG1 4.45Å; I847-I853 HydrophobicContact CD1-CG2 4.26Å; I847-I853 HydrophobicContact CG1-CD1 4.01Å; G850-I853 PolarHBondContact O-N 3.09Å
854	I	91.4	Very high	91.9	Very high	64 Å²	64	60.3 Å²	60.3	33%	0.328	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-75.1	139.1	178.6	-63.8	170.2	0	0	0	109.8	Y832 H834 N859	Y832-I854 HydrophobicContact CE2-CD1 4.42Å; H834-I854 WeakPolarHBondContact NE2-CG1 3.36Å; I854-N859 PolarHBondContact O-ND2 2.92Å
855	V	92.7	Very high	92.1	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	34%	0.338	C	S	.	.			trans	-80.5	131.2	172.3	-173.4	0	0	0	0	109.3	F827 I833 F835 N859 K860 Y863	F827-V855 HydrophobicContact CE1-CG1 4.14Å; F827-V855 WeakPolarHBondContact CE1-O 3.26Å; F827-V855 HydrophobicContact CZ-CG1 4.41Å; I833-V855 HydrophobicContact CD1-CB 4.15Å; I833-V855 HydrophobicContact CD1-CG1 4.43Å; I833-V855 HydrophobicContact CD1-CG2 3.98Å; I833-V855 HydrophobicContact CG1-CB 3.71Å; I833-V855 HydrophobicContact CG1-CG1 4.46Å; I833-V855 HydrophobicContact CG1-CG2 3.71Å; I833-V855 PolarHBondContact O-N 3.39Å; F835-V855 HydrophobicContact CD2-CG2 3.74Å; F835-V855 HydrophobicContact CE2-CB 4.5Å; F835-V855 HydrophobicContact CE2-CG2 3.81Å; V855-N859 VanDerWaalsContact CA-OD1 3.26Å; V855-N859 WeakPolarHBondContact CA-OD1 3.3Å; V855-N859 WeakPolarHBondContact CG1-OD1 3.45Å; V855-K860 HydrophobicContact CG1-CB 4.01Å; V855-Y863 HydrophobicContact CG1-CD1 4.33Å; V855-Y863 HydrophobicContact CG1-CG 4.11Å; V855-Y863 HydrophobicContact CG2-CD1 4.22Å; V855-Y863 HydrophobicContact CG2-CD2 3.54Å; V855-Y863 HydrophobicContact CG2-CE2 4.01Å; V855-Y863 HydrophobicContact CG2-CG 3.65Å
856	N	91	Very high	92.2	Very high	37 Å²	37	62.1 Å²	62.1	20%	0.198	34%	0.337	C	S	.	.			trans	-139	-179.8	-180	68.1	29.9	0	0	0	111.8	E828 T858 N859 K860	E828-N856 HydrophobicContact CG-CB 3.81Å; E828-N856 WeakPolarHBondContact OE1-CB 3.33Å; N856-T858 PolarHBondContact O-N 3.12Å; N856-T858 VanDerWaalsContact O-N 3.09Å; N856-T858 PolarHBondContact OD1-N 3.17Å; N856-T858 PolarHBondContact OD1-OG1 2.86Å; N856-N859 PolarHBondContact N-OD1 3.29Å; N856-N859 PolarHBondContact O-N 2.87Å; N856-N859 VanDerWaalsContact O-N 3.15Å; N856-N859 PolarHBondContact O-OD1 2.87Å; N856-N859 PolarHBondContact OD1-N 2.82Å; N856-K860 WeakPolarHBondContact O-CB 2.88Å; N856-K860 PolarHBondContact O-N 2.84Å
857	Q	90.3	Very high	92.3	Very high	69 Å²	69	61.6 Å²	61.6	32%	0.322	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.4	-177.2	-71.2	-67	1.3	0	0	113.9	D822 G824 F827	D822-Q857 PolarHBondContact O-NE2 2.81Å; D822-Q857 PolarHBondContact O-OE1 2.98Å; G824-Q857 PolarHBondContact O-NE2 2.97Å; F827-Q857 HydrophobicContact CB-CG 4.08Å; F827-Q857 HydrophobicContact CG-CG 4.32Å
858	T	91.3	Very high	92.6	Very high	129 Å²	129	60.7 Å²	60.7	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-27.3	-177.9	67.4	0	0	0	0	113.7	N856	N856-T858 PolarHBondContact O-N 3.12Å; N856-T858 VanDerWaalsContact O-N 3.09Å; N856-T858 PolarHBondContact OD1-N 3.17Å; N856-T858 PolarHBondContact OD1-OG1 2.86Å
859	N	93	Very high	92.8	Very high	31 Å²	31	57.4 Å²	57.4	17%	0.166	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-5.5	-172.6	70.4	20.8	0	0	0	113.9	F835 I854 V855 N856 R861 D862 Y863	F835-N859 HydrophobicContact CE2-CB 4.23Å; F835-N859 HydrophobicContact CZ-CB 4.03Å; I854-N859 PolarHBondContact O-ND2 2.92Å; V855-N859 VanDerWaalsContact CA-OD1 3.26Å; V855-N859 WeakPolarHBondContact CA-OD1 3.3Å; V855-N859 WeakPolarHBondContact CG1-OD1 3.45Å; N856-N859 PolarHBondContact N-OD1 3.29Å; N856-N859 PolarHBondContact O-N 2.87Å; N856-N859 VanDerWaalsContact O-N 3.15Å; N856-N859 PolarHBondContact O-OD1 2.87Å; N856-N859 PolarHBondContact OD1-N 2.82Å; N859-R861 PolarHBondContact O-N 2.91Å; N859-R861 VanDerWaalsContact O-N 3.16Å; N859-D862 WeakPolarHBondContact O-CB 3.44Å; N859-D862 PolarHBondContact O-N 3.36Å; N859-Y863 PolarHBondContact O-N 3.2Å
860	K	92.9	Very high	93.1	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-53.8	-36.5	-179.5	66	178.6	-173	177	0	114.4	L819 L820 D822 F827 V855 N856 Y863 V864	L819-K860 HydrophobicContact CD2-CB 3.78Å; L820-K860 WeakPolarHBondContact O-CE 3.42Å; L820-K860 PolarHBondContact O-NZ 2.74Å; D822-K860 PolarHBondContact O-NZ 2.85Å; F827-K860 HydrophobicContact CE2-CD 3.98Å; F827-K860 HydrophobicContact CZ-CB 4.03Å; F827-K860 HydrophobicContact CZ-CD 4.15Å; V855-K860 HydrophobicContact CG1-CB 4.01Å; N856-K860 WeakPolarHBondContact O-CB 2.88Å; N856-K860 PolarHBondContact O-N 2.84Å; K860-Y863 PolarHBondContact O-N 2.77Å; K860-V864 WeakPolarHBondContact O-CG2 3.41Å; K860-V864 PolarHBondContact O-N 3.13Å
861	R	94.1	Very high	93.4	Very high	200 Å²	200	52.4 Å²	52.4	76%	0.755	28%	0.277	S	S	*	.	H	α-helix	trans	-66.9	-40.4	176.6	-69.2	-176.3	-178.7	146.2	2.4	112.1	L820 N859 S865	L820-R861 HydrophobicContact CD2-CG 3.99Å; N859-R861 PolarHBondContact O-N 2.91Å; N859-R861 VanDerWaalsContact O-N 3.16Å; R861-S865 WeakPolarHBondContact O-CB 3.34Å; R861-S865 PolarHBondContact O-N 2.97Å
862	D	95.3	Very high	93.7	Very high	78 Å²	78	49.7 Å²	49.7	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-42.7	176.3	-173.5	47.4	0	0	0	110.7	N859 V864 S865 K866	N859-D862 WeakPolarHBondContact O-CB 3.44Å; N859-D862 PolarHBondContact O-N 3.36Å; D862-V864 PolarHBondContact O-N 3.4Å; D862-S865 PolarHBondContact O-N 3.14Å; D862-K866 WeakPolarHBondContact O-CB 3.4Å; D862-K866 VanDerWaalsContact O-CG 3.26Å; D862-K866 WeakPolarHBondContact O-CG 3.48Å; D862-K866 PolarHBondContact O-N 3.33Å
863	Y	95.1	Very high	93.9	Very high	13 Å²	13	46.7 Å²	46.7	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-53.4	-52.3	173.3	175.2	-102.5	0	0	0	112	L816 I833 H834 F835 N836 L846 V855 N859 K860 S865 K866 Y867	L816-Y863 HydrophobicContact CD2-CE1 4.07Å; I833-Y863 HydrophobicContact CD1-CD1 4.11Å; I833-Y863 HydrophobicContact CD1-CE1 3.52Å; H834-Y863 WeakPolarHBondContact O-CE2 3.17Å; F835-Y863 HydrophobicContact CD1-CD2 4.03Å; F835-Y863 HydrophobicContact CD2-CD2 4.24Å; F835-Y863 HydrophobicContact CE1-CD2 4.31Å; F835-Y863 HydrophobicContact CE2-CD2 4.49Å; F835-Y863 HydrophobicContact CG-CD2 4.01Å; N836-Y863 PolarHBondContact O-OH 3.34Å; L846-Y863 HydrophobicContact CD1-CD2 3.84Å; L846-Y863 HydrophobicContact CD1-CE2 3.73Å; V855-Y863 HydrophobicContact CG1-CD1 4.33Å; V855-Y863 HydrophobicContact CG1-CG 4.11Å; V855-Y863 HydrophobicContact CG2-CD1 4.22Å; V855-Y863 HydrophobicContact CG2-CD2 3.54Å; V855-Y863 HydrophobicContact CG2-CE2 4.01Å; V855-Y863 HydrophobicContact CG2-CG 3.65Å; N859-Y863 PolarHBondContact O-N 3.2Å; K860-Y863 PolarHBondContact O-N 2.77Å; Y863-S865 PolarHBondContact O-N 3Å; Y863-K866 PolarHBondContact O-N 2.89Å; Y863-Y867 AromaticContact CE1-CD2 3.86Å; Y863-Y867 HydrophobicContact CE1-CD2 3.86Å; Y863-Y867 HydrophobicContact CE1-CE2 4.5Å; Y863-Y867 HydrophobicContact CE2-CD2 4.47Å; Y863-Y867 AromaticContact CZ-CD2 3.7Å; Y863-Y867 WeakPolarHBondContact O-CB 3.38Å; Y863-Y867 PolarHBondContact O-N 2.87Å; Y863-Y867 WeakPolarHBondContact OH-CD2 3.43Å; Y863-Y867 WeakPolarHBondContact OH-CE2 3.4Å
864	V	95.5	Very high	94	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-42.7	180	175	0	0	0	0	111.4	L802 L816 L819 L820 K860 D862 K866 Y867 I868	L802-V864 HydrophobicContact CD1-CG1 4.42Å; L816-V864 HydrophobicContact CB-CG1 4.4Å; L816-V864 HydrophobicContact CB-CG2 4.38Å; L816-V864 HydrophobicContact CD2-CG2 4.3Å; L819-V864 HydrophobicContact CD2-CG2 3.89Å; L820-V864 HydrophobicContact CD1-CB 4.42Å; L820-V864 HydrophobicContact CD1-CG1 4.03Å; L820-V864 HydrophobicContact CD1-CG2 4.39Å; L820-V864 HydrophobicContact CD2-CB 4.18Å; L820-V864 HydrophobicContact CD2-CG2 3.86Å; L820-V864 HydrophobicContact CG-CB 4.42Å; L820-V864 HydrophobicContact CG-CG1 4.47Å; L820-V864 HydrophobicContact CG-CG2 3.93Å; K860-V864 WeakPolarHBondContact O-CG2 3.41Å; K860-V864 PolarHBondContact O-N 3.13Å; D862-V864 PolarHBondContact O-N 3.4Å; V864-K866 VanDerWaalsContact C-N 3.33Å; V864-K866 PolarHBondContact O-N 2.79Å; V864-Y867 PolarHBondContact O-N 3.02Å; V864-I868 HydrophobicContact CG1-CD1 3.77Å; V864-I868 HydrophobicContact CG1-CG1 4.41Å; V864-I868 VanDerWaalsContact O-CG1 3.28Å; V864-I868 WeakPolarHBondContact O-CG1 3.46Å; V864-I868 PolarHBondContact O-N 2.91Å
865	S	95.4	Very high	94.1	Very high	72 Å²	72	46.2 Å²	46.2	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-43.9	176	-171.3	0	0	0	0	111.9	R861 D862 Y863 I868 D869	R861-S865 WeakPolarHBondContact O-CB 3.34Å; R861-S865 PolarHBondContact O-N 2.97Å; D862-S865 PolarHBondContact O-N 3.14Å; Y863-S865 PolarHBondContact O-N 3Å; S865-I868 PolarHBondContact O-N 2.84Å; S865-D869 WeakPolarHBondContact O-CB 3.15Å; S865-D869 PolarHBondContact O-N 2.78Å
866	K	95.2	Very high	94.2	Very high	79 Å²	79	46.3 Å²	46.3	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-69	-35.1	178	-70	-69.3	178.5	-171.4	0	112.6	L846 D862 Y863 V864 D869 Y870	L846-K866 HydrophobicContact CB-CB 4.16Å; L846-K866 HydrophobicContact CD1-CB 4.03Å; D862-K866 WeakPolarHBondContact O-CB 3.4Å; D862-K866 VanDerWaalsContact O-CG 3.26Å; D862-K866 WeakPolarHBondContact O-CG 3.48Å; D862-K866 PolarHBondContact O-N 3.33Å; Y863-K866 PolarHBondContact O-N 2.89Å; V864-K866 VanDerWaalsContact C-N 3.33Å; V864-K866 PolarHBondContact O-N 2.79Å; K866-D869 PolarHBondContact O-N 3.26Å; K866-Y870 WeakPolarHBondContact O-CB 3.4Å; K866-Y870 PolarHBondContact O-N 3.03Å
867	Y	95.5	Very high	94.4	Very high	16 Å²	16	50 Å²	50	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-50	174.4	-155	-37.5	0	0	0	110.2	L812 L816 V837 H838 Y863 V864 D869 Y870 I871	L812-Y867 HydrophobicContact CD2-CE1 4.24Å; L816-Y867 HydrophobicContact CD1-CD2 4.19Å; L816-Y867 HydrophobicContact CD1-CG 4.2Å; L816-Y867 HydrophobicContact CD2-CD2 3.92Å; L816-Y867 HydrophobicContact CD2-CE2 4.25Å; V837-Y867 HydrophobicContact CB-CD1 4.41Å; V837-Y867 HydrophobicContact CB-CD2 4.44Å; V837-Y867 HydrophobicContact CB-CE1 3.87Å; V837-Y867 HydrophobicContact CB-CE2 3.96Å; V837-Y867 HydrophobicContact CG1-CD1 3.84Å; V837-Y867 HydrophobicContact CG1-CD2 3.37Å; V837-Y867 HydrophobicContact CG1-CE1 3.72Å; V837-Y867 HydrophobicContact CG1-CE2 3.28Å; V837-Y867 HydrophobicContact CG1-CG 3.65Å; V837-Y867 VanDerWaalsContact CG1-CZ 3.45Å; H838-Y867 PolarHBondContact O-OH 3.23Å; Y863-Y867 AromaticContact CE1-CD2 3.86Å; Y863-Y867 HydrophobicContact CE1-CD2 3.86Å; Y863-Y867 HydrophobicContact CE1-CE2 4.5Å; Y863-Y867 HydrophobicContact CE2-CD2 4.47Å; Y863-Y867 AromaticContact CZ-CD2 3.7Å; Y863-Y867 WeakPolarHBondContact O-CB 3.38Å; Y863-Y867 PolarHBondContact O-N 2.87Å; Y863-Y867 WeakPolarHBondContact OH-CD2 3.43Å; Y863-Y867 WeakPolarHBondContact OH-CE2 3.4Å; V864-Y867 PolarHBondContact O-N 3.02Å; Y867-D869 VanDerWaalsContact C-N 3.35Å; Y867-D869 PolarHBondContact O-N 3.5Å; Y867-Y870 PolarHBondContact O-N 3.47Å; Y867-I871 HydrophobicContact CD1-CD1 3.63Å; Y867-I871 HydrophobicContact CD1-CG1 3.92Å; Y867-I871 HydrophobicContact CE1-CD1 3.6Å; Y867-I871 HydrophobicContact CE1-CG1 4Å; Y867-I871 PolarHBondContact O-N 3.34Å
868	I	95.7	Very high	94.6	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.087	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-47.1	177.9	-66.3	165	0	0	0	110.5	L802 L805 V864 S865 Y870 I871 F872	L802-I868 HydrophobicContact CB-CD1 3.85Å; L802-I868 HydrophobicContact CD1-CD1 4.19Å; L805-I868 HydrophobicContact CD2-CG1 4.17Å; V864-I868 HydrophobicContact CG1-CD1 3.77Å; V864-I868 HydrophobicContact CG1-CG1 4.41Å; V864-I868 VanDerWaalsContact O-CG1 3.28Å; V864-I868 WeakPolarHBondContact O-CG1 3.46Å; V864-I868 PolarHBondContact O-N 2.91Å; S865-I868 PolarHBondContact O-N 2.84Å; I868-Y870 VanDerWaalsContact C-N 3.32Å; I868-Y870 PolarHBondContact O-N 3.09Å; I868-I871 PolarHBondContact O-N 2.88Å; I868-F872 HydrophobicContact CG2-CD2 3.73Å; I868-F872 HydrophobicContact CG2-CE2 4.06Å; I868-F872 WeakPolarHBondContact O-CD2 3.3Å; I868-F872 PolarHBondContact O-N 3.44Å
869	D	95.4	Very high	94.8	Very high	47 Å²	47	42.7 Å²	42.7	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-42	177.7	-166.5	36.6	0	0	0	111.6	S865 K866 Y867 N873 D874	S865-D869 WeakPolarHBondContact O-CB 3.15Å; S865-D869 PolarHBondContact O-N 2.78Å; K866-D869 PolarHBondContact O-N 3.26Å; Y867-D869 VanDerWaalsContact C-N 3.35Å; Y867-D869 PolarHBondContact O-N 3.5Å; D869-N873 VanDerWaalsContact O-CA 3.31Å; D869-N873 WeakPolarHBondContact O-CA 3.01Å; D869-N873 WeakPolarHBondContact O-CB 3.23Å; D869-N873 PolarHBondContact O-N 2.69Å; D869-N873 PolarHBondContact OD1-ND2 2.91Å; D869-D874 PolarHBondContact O-N 3.18Å
870	Y	95.4	Very high	95	Very high	16 Å²	16	41.9 Å²	41.9	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-49	176.3	176.3	-99.3	0	0	0	112.6	V837 W839 N842 T844 L846 K866 Y867 I868 F872 D874 S875	V837-Y870 HydrophobicContact CG2-CD1 3.66Å; V837-Y870 HydrophobicContact CG2-CE1 3.67Å; V837-Y870 HydrophobicContact CG2-CG 4.33Å; W839-Y870 HydrophobicContact CB-CE1 4.12Å; N842-Y870 PolarHBondContact ND2-OH 3.01Å; T844-Y870 WeakPolarHBondContact CB-OH 3.24Å; T844-Y870 HydrophobicContact CG2-CD2 4.48Å; T844-Y870 HydrophobicContact CG2-CE2 3.72Å; T844-Y870 PolarHBondContact OG1-OH 3.3Å; L846-Y870 HydrophobicContact CD2-CD1 4.4Å; L846-Y870 HydrophobicContact CD2-CD2 4.42Å; L846-Y870 HydrophobicContact CD2-CG 3.88Å; K866-Y870 WeakPolarHBondContact O-CB 3.4Å; K866-Y870 PolarHBondContact O-N 3.03Å; Y867-Y870 PolarHBondContact O-N 3.47Å; I868-Y870 VanDerWaalsContact C-N 3.32Å; I868-Y870 PolarHBondContact O-N 3.09Å; Y870-F872 PolarHBondContact O-N 3.12Å; Y870-D874 HydrophobicContact CD2-CB 3.98Å; Y870-D874 PolarHBondContact O-N 3.01Å; Y870-S875 WeakPolarHBondContact O-CB 3.49Å; Y870-S875 PolarHBondContact O-N 2.57Å; Y870-S875 PolarHBondContact O-OG 3.05Å
871	I	94.8	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-48.5	-179	-71.1	176.7	0	0	0	111.1	W754 L805 L808 L812 W839 Y867 I868 S875	W754-I871 PolarHBondContact NE1-O 3.31Å; L805-I871 HydrophobicContact CD1-CD1 3.59Å; L805-I871 HydrophobicContact CD1-CG2 4.39Å; L805-I871 HydrophobicContact CD2-CD1 4.07Å; L808-I871 HydrophobicContact CD2-CG2 4.13Å; L812-I871 HydrophobicContact CD2-CD1 3.89Å; W839-I871 HydrophobicContact CD2-CD1 4.09Å; W839-I871 HydrophobicContact CD2-CG1 3.87Å; W839-I871 HydrophobicContact CE3-CD1 3.91Å; W839-I871 HydrophobicContact CE3-CG1 4.22Å; W839-I871 HydrophobicContact CG-CG1 4.11Å; W839-I871 HydrophobicContact CH2-CD1 4.38Å; W839-I871 HydrophobicContact CH2-CG2 4.25Å; W839-I871 HydrophobicContact CZ2-CG2 3.71Å; W839-I871 HydrophobicContact CZ3-CD1 4.06Å; Y867-I871 HydrophobicContact CD1-CD1 3.63Å; Y867-I871 HydrophobicContact CD1-CG1 3.92Å; Y867-I871 HydrophobicContact CE1-CD1 3.6Å; Y867-I871 HydrophobicContact CE1-CG1 4Å; Y867-I871 PolarHBondContact O-N 3.34Å; I868-I871 PolarHBondContact O-N 2.88Å; I871-S875 PolarHBondContact O-OG 2.89Å; I871-S875 VanDerWaalsContact O-OG 3.04Å
872	F	95.9	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-90.2	-23.5	-170.6	-68.2	-64.2	0	0	0	113.7	W754 A790 K794 P800 D804 L805 L808 I868 Y870 V876	W754-F872 HydrophobicContact CD2-CD1 4.47Å; W754-F872 AromaticContact CE2-CD1 3.8Å; W754-F872 AromaticContact CH2-CD1 3.76Å; W754-F872 HydrophobicContact CH2-CD1 3.76Å; W754-F872 HydrophobicContact CH2-CE1 4.31Å; W754-F872 HydrophobicContact CZ2-CB 4.37Å; W754-F872 AromaticContact CZ2-CD1 3.46Å; W754-F872 HydrophobicContact CZ2-CD1 3.46Å; W754-F872 VanDerWaalsContact CZ2-CD1 3.46Å; W754-F872 HydrophobicContact CZ2-CE1 4.25Å; W754-F872 HydrophobicContact CZ2-CG 4.4Å; W754-F872 HydrophobicContact CZ3-CD1 4.37Å; W754-F872 HydrophobicContact CZ3-CE1 4.49Å; A790-F872 HydrophobicContact CB-CD1 3.65Å; A790-F872 HydrophobicContact CB-CE1 3.4Å; A790-F872 HydrophobicContact CB-CG 4.35Å; A790-F872 HydrophobicContact CB-CZ 3.89Å; K794-F872 WeakPolarHBondContact CE-O 3.05Å; K794-F872 PolarHBondContact NZ-O 3.19Å; P800-F872 HydrophobicContact CB-CB 4.04Å; P800-F872 HydrophobicContact CB-CD1 4.39Å; P800-F872 HydrophobicContact CB-CD2 3.47Å; P800-F872 VanDerWaalsContact CB-CD2 3.47Å; P800-F872 HydrophobicContact CB-CE2 3.93Å; P800-F872 HydrophobicContact CB-CG 3.73Å; P800-F872 HydrophobicContact CG-CB 3.79Å; P800-F872 HydrophobicContact CG-CD2 4.19Å; P800-F872 HydrophobicContact CG-CG 3.94Å; D804-F872 HydrophobicContact CB-CE2 4.43Å; D804-F872 HydrophobicContact CB-CZ 4.16Å; L805-F872 HydrophobicContact CB-CE2 4Å; L805-F872 HydrophobicContact CB-CZ 4.22Å; L805-F872 HydrophobicContact CD1-CE2 4.41Å; L805-F872 HydrophobicContact CD1-CZ 4.34Å; L808-F872 HydrophobicContact CB-CZ 4.44Å; L808-F872 HydrophobicContact CD2-CE1 3.69Å; L808-F872 HydrophobicContact CD2-CZ 4.11Å; I868-F872 HydrophobicContact CG2-CD2 3.73Å; I868-F872 HydrophobicContact CG2-CE2 4.06Å; I868-F872 WeakPolarHBondContact O-CD2 3.3Å; I868-F872 PolarHBondContact O-N 3.44Å; Y870-F872 PolarHBondContact O-N 3.12Å; F872-V876 WeakPolarHBondContact O-CG2 3.5Å
873	N	94.3	Very high	95.3	Very high	33 Å²	33	35.1 Å²	35.1	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-70.6	-175.1	-58.6	-43.5	0	0	0	112.3	K794 D869 S875 V876 K877	K794-N873 PolarHBondContact NZ-OD1 2.74Å; D869-N873 VanDerWaalsContact O-CA 3.31Å; D869-N873 WeakPolarHBondContact O-CA 3.01Å; D869-N873 WeakPolarHBondContact O-CB 3.23Å; D869-N873 PolarHBondContact O-N 2.69Å; D869-N873 PolarHBondContact OD1-ND2 2.91Å; N873-S875 PolarHBondContact O-N 3.32Å; N873-V876 PolarHBondContact O-N 3.41Å; N873-K877 WeakPolarHBondContact O-CA 3.34Å; N873-K877 WeakPolarHBondContact O-CB 3.25Å; N873-K877 PolarHBondContact O-N 3.19Å
874	D	93.6	Very high	95.4	Very high	100 Å²	100	37.8 Å²	37.8	54%	0.535	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-64.6	-46.1	-167.9	-70.7	-26.6	0	0	0	113.1	D869 Y870 V876	D869-D874 PolarHBondContact O-N 3.18Å; Y870-D874 HydrophobicContact CD2-CB 3.98Å; Y870-D874 PolarHBondContact O-N 3.01Å; D874-V876 PolarHBondContact O-N 3.34Å
875	S	94.2	Very high	95.3	Very high	16 Å²	16	43 Å²	43	11%	0.112	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-67.3	-23	-173.3	69.7	0	0	0	0	113.6	Y870 I871 N873	Y870-S875 WeakPolarHBondContact O-CB 3.49Å; Y870-S875 PolarHBondContact O-N 2.57Å; Y870-S875 PolarHBondContact O-OG 3.05Å; I871-S875 PolarHBondContact O-OG 2.89Å; I871-S875 VanDerWaalsContact O-OG 3.04Å; N873-S875 PolarHBondContact O-N 3.32Å
876	V	94.8	Very high	95.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-120.9	6.1	-174.7	-61.9	0	0	0	0	113.3	W754 F755 F872 N873 D874 A878 V879 Y880	W754-V876 HydrophobicContact CZ2-CG2 4.32Å; F755-V876 HydrophobicContact CB-CB 3.83Å; F755-V876 HydrophobicContact CB-CG1 3.67Å; F755-V876 VanDerWaalsContact O-CG1 3.26Å; F755-V876 WeakPolarHBondContact O-CG1 3.32Å; F872-V876 WeakPolarHBondContact O-CG2 3.5Å; N873-V876 PolarHBondContact O-N 3.41Å; D874-V876 PolarHBondContact O-N 3.34Å; V876-A878 PolarHBondContact O-N 2.91Å; V876-V879 HydrophobicContact CB-CG2 4.04Å; V876-V879 WeakPolarHBondContact O-CG2 3.26Å; V876-V879 PolarHBondContact O-N 2.96Å; V876-V879 VanDerWaalsContact O-N 3.14Å; V876-Y880 WeakPolarHBondContact O-CB 3.17Å; V876-Y880 PolarHBondContact O-N 3.42Å
877	K	94.6	Very high	95.2	Very high	116 Å²	116	35.9 Å²	35.9	50%	0.504	17%	0.171	S	C	.	.	H	α-helix	trans	-47.6	-53.5	-170.3	-176.9	173.6	-179.6	174.7	0	113.2	N873 V879 Y880 E881	N873-K877 WeakPolarHBondContact O-CA 3.34Å; N873-K877 WeakPolarHBondContact O-CB 3.25Å; N873-K877 PolarHBondContact O-N 3.19Å; K877-V879 PolarHBondContact O-N 3.08Å; K877-Y880 PolarHBondContact O-N 3.27Å; K877-E881 WeakPolarHBondContact CE-OE1 3.4Å; K877-E881 HydrophobicContact CG-CG 4.43Å; K877-E881 WeakPolarHBondContact CG-OE1 3.42Å; K877-E881 WeakPolarHBondContact O-CB 3.48Å; K877-E881 VanDerWaalsContact O-CG 3.28Å; K877-E881 WeakPolarHBondContact O-CG 3.44Å; K877-E881 PolarHBondContact O-N 2.93Å
878	A	94.3	Very high	95	Very high	38 Å²	38	36.8 Å²	36.8	31%	0.314	18%	0.175	S	C	.	.	H	α-helix	trans	-67.8	-32.4	-173.8	0	0	0	0	0	114.2	K763 V876	K763-A878 HydrophobicContact CD-CB 4.18Å; V876-A878 PolarHBondContact O-N 2.91Å
879	V	96.1	Very high	94.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-83.1	-36	177.9	-69.4	0	0	0	0	111.3	F755 P759 K763 Y766 V876 K877 E882 F883	F755-V879 HydrophobicContact CB-CG2 3.82Å; F755-V879 HydrophobicContact CD1-CG2 4.18Å; F755-V879 HydrophobicContact CG-CG2 4.24Å; P759-V879 HydrophobicContact CB-CG1 4.14Å; P759-V879 HydrophobicContact CG-CG1 3.89Å; K763-V879 HydrophobicContact CG-CG1 4.41Å; Y766-V879 HydrophobicContact CD1-CB 4.22Å; Y766-V879 HydrophobicContact CD2-CB 4.1Å; Y766-V879 HydrophobicContact CD2-CG1 3.84Å; Y766-V879 HydrophobicContact CE1-CB 4.47Å; Y766-V879 HydrophobicContact CE2-CB 4.35Å; Y766-V879 HydrophobicContact CE2-CG1 3.8Å; Y766-V879 HydrophobicContact CG-CB 4.03Å; Y766-V879 HydrophobicContact CG-CG1 4.29Å; V876-V879 HydrophobicContact CB-CG2 4.04Å; V876-V879 WeakPolarHBondContact O-CG2 3.26Å; V876-V879 PolarHBondContact O-N 2.96Å; V876-V879 VanDerWaalsContact O-N 3.14Å; K877-V879 PolarHBondContact O-N 3.08Å; V879-E882 PolarHBondContact O-N 3.47Å; V879-F883 PolarHBondContact O-N 2.82Å
880	Y	96.6	Very high	94.3	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.055	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-41.7	175	173.9	-103	0	0	0	112.1	F755 L791 K794 L795 V876 K877 E882 F883 R884	F755-Y880 AromaticContact CE2-CD2 3.93Å; F755-Y880 HydrophobicContact CE2-CD2 3.93Å; F755-Y880 HydrophobicContact CZ-CD2 4.33Å; L791-Y880 HydrophobicContact CD1-CD2 4.39Å; L791-Y880 HydrophobicContact CD1-CE2 3.98Å; K794-Y880 HydrophobicContact CB-CE1 4.32Å; K794-Y880 HydrophobicContact CB-CE2 3.97Å; K794-Y880 VanDerWaalsContact CB-OH 3.28Å; K794-Y880 WeakPolarHBondContact CB-OH 3.41Å; K794-Y880 HydrophobicContact CD-CE2 4.32Å; K794-Y880 VanDerWaalsContact CE-CD2 3.49Å; K794-Y880 VanDerWaalsContact CE-CE2 3.48Å; K794-Y880 PolarHBondContact O-OH 3.19Å; L795-Y880 PolarHBondContact N-OH 3.02Å; V876-Y880 WeakPolarHBondContact O-CB 3.17Å; V876-Y880 PolarHBondContact O-N 3.42Å; K877-Y880 PolarHBondContact O-N 3.27Å; Y880-E882 VanDerWaalsContact C-N 3.29Å; Y880-E882 PolarHBondContact O-N 2.79Å; Y880-F883 HydrophobicContact CD2-CD1 4.27Å; Y880-F883 HydrophobicContact CE2-CD1 4.19Å; Y880-F883 WeakPolarHBondContact O-CB 3.19Å; Y880-F883 PolarHBondContact O-N 3.02Å; Y880-R884 HydrophobicContact CE1-CB 4.38Å; Y880-R884 WeakPolarHBondContact O-CB 3.42Å; Y880-R884 PolarHBondContact O-N 2.89Å
881	E	96.2	Very high	94	Very high	101 Å²	101	36.1 Å²	36.1	47%	0.472	17%	0.171	S	C	.	.	H	α-helix	trans	-59.8	-40.5	176.5	-78.3	172.3	176.9	0	0	111.6	K877 R884 R885	K877-E881 WeakPolarHBondContact CE-OE1 3.4Å; K877-E881 HydrophobicContact CG-CG 4.43Å; K877-E881 WeakPolarHBondContact CG-OE1 3.42Å; K877-E881 WeakPolarHBondContact O-CB 3.48Å; K877-E881 VanDerWaalsContact O-CG 3.28Å; K877-E881 WeakPolarHBondContact O-CG 3.44Å; K877-E881 PolarHBondContact O-N 2.93Å; E881-R884 PolarHBondContact O-N 3.36Å; E881-R885 VanDerWaalsContact O-CB 3.24Å; E881-R885 WeakPolarHBondContact O-CB 3.37Å; E881-R885 PolarHBondContact O-N 3.22Å
882	E	96.4	Very high	93.6	Very high	43 Å²	43	37.5 Å²	37.5	20%	0.201	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-45	174.7	-73.9	-64.6	104.7	0	0	112	K763 F767 V879 Y880 R885 G886	K763-E882 HydrophobicContact CB-CG 4.18Å; F767-E882 VanDerWaalsContact CA-O 3.27Å; F767-E882 WeakPolarHBondContact CA-O 3.48Å; F767-E882 HydrophobicContact CB-CB 4.17Å; V879-E882 PolarHBondContact O-N 3.47Å; Y880-E882 VanDerWaalsContact C-N 3.29Å; Y880-E882 PolarHBondContact O-N 2.79Å; E882-R885 PolarHBondContact O-N 2.84Å; E882-R885 IonicContact OE1-CZ 2.95Å; E882-R885 IonicContact OE1-NE 2.82Å; E882-R885 PolarHBondContact OE1-NE 3.13Å; E882-R885 IonicContact OE1-NH2 3.59Å; E882-R885 PolarHBondContact OE1-NH2 3.43Å; E882-R885 IonicContact OE2-CZ 2.67Å; E882-R885 IonicContact OE2-NE 3.8Å; E882-R885 IonicContact OE2-NH2 3.48Å; E882-R885 PolarHBondContact OE2-NH2 2.76Å; E882-G886 PolarHBondContact O-N 3.11Å
883	F	96.8	Very high	93.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-50.6	172.9	169.3	-95.2	0	0	0	112.2	F755 Y766 F769 G770 C773 L791 L795 V879 Y880 R885 G886 F887	F755-F883 HydrophobicContact CE1-CB 3.89Å; F755-F883 HydrophobicContact CE1-CD2 4.32Å; F755-F883 HydrophobicContact CE1-CG 4.04Å; F755-F883 HydrophobicContact CZ-CB 3.91Å; F755-F883 AromaticContact CZ-CD1 3.86Å; F755-F883 HydrophobicContact CZ-CD1 3.86Å; F755-F883 HydrophobicContact CZ-CD2 4.09Å; F755-F883 HydrophobicContact CZ-CE1 4.45Å; F755-F883 AromaticContact CZ-CG 3.67Å; F755-F883 HydrophobicContact CZ-CG 3.67Å; Y766-F883 WeakPolarHBondContact O-CA 3.15Å; F769-F883 AromaticContact CD1-CD2 3.81Å; F769-F883 HydrophobicContact CD1-CD2 3.81Å; F769-F883 AromaticContact CD1-CE2 3.7Å; F769-F883 HydrophobicContact CD1-CE2 3.7Å; F769-F883 HydrophobicContact CE1-CD2 4.41Å; F769-F883 AromaticContact CE1-CE2 3.94Å; F769-F883 HydrophobicContact CE1-CE2 3.94Å; G770-F883 WeakPolarHBondContact CA-O 3.38Å; C773-F883 HydrophobicContact CB-CE2 4.45Å; L791-F883 HydrophobicContact CD1-CD1 4.28Å; L791-F883 HydrophobicContact CD1-CE1 3.73Å; L791-F883 HydrophobicContact CD1-CZ 4.36Å; L791-F883 HydrophobicContact CD2-CE1 4.27Å; L791-F883 HydrophobicContact CD2-CZ 4.1Å; L791-F883 HydrophobicContact CG-CE1 4.39Å; L795-F883 HydrophobicContact CD1-CE1 4.42Å; L795-F883 HydrophobicContact CD2-CE1 4.07Å; L795-F883 HydrophobicContact CG-CE1 4.48Å; V879-F883 PolarHBondContact O-N 2.82Å; Y880-F883 HydrophobicContact CD2-CD1 4.27Å; Y880-F883 HydrophobicContact CE2-CD1 4.19Å; Y880-F883 WeakPolarHBondContact O-CB 3.19Å; Y880-F883 PolarHBondContact O-N 3.02Å; F883-R885 VanDerWaalsContact C-N 3.31Å; F883-R885 PolarHBondContact O-N 3.48Å; F883-G886 PolarHBondContact O-N 2.66Å; F883-G886 VanDerWaalsContact O-N 3.13Å; F883-F887 PolarHBondContact O-N 3.38Å
884	R	96.1	Very high	93.1	Very high	69 Å²	69	42.4 Å²	42.4	26%	0.26	20%	0.202	S	C	.	.	H	α-helix	trans	-58.1	-44.2	178.2	178.6	-178.8	172.5	160.9	7.4	110.8	D797 Y880 E881 G886 F887 Y888 E893	D797-R884 IonicContact OD1-CZ 3.28Å; D797-R884 VanDerWaalsContact OD1-CZ 3.25Å; D797-R884 IonicContact OD1-NH1 2.74Å; D797-R884 PolarHBondContact OD1-NH1 3.12Å; D797-R884 IonicContact OD1-NH2 2.7Å; D797-R884 PolarHBondContact OD1-NH2 3.08Å; D797-R884 IonicContact OD2-NH2 3.53Å; D797-R884 PolarHBondContact OD2-NH2 3.49Å; Y880-R884 HydrophobicContact CE1-CB 4.38Å; Y880-R884 WeakPolarHBondContact O-CB 3.42Å; Y880-R884 PolarHBondContact O-N 2.89Å; E881-R884 PolarHBondContact O-N 3.36Å; R884-G886 VanDerWaalsContact C-N 3.32Å; R884-G886 PolarHBondContact O-N 2.85Å; R884-F887 PolarHBondContact O-N 2.97Å; R884-Y888 HydrophobicContact CG-CD2 3.63Å; R884-Y888 HydrophobicContact CG-CE2 3.83Å; R884-Y888 WeakPolarHBondContact O-CD2 3.23Å; R884-Y888 PolarHBondContact O-N 2.96Å; R884-E893 IonicContact NH2-OE1 2.94Å; R884-E893 PolarHBondContact NH2-OE1 2.73Å
885	R	94.4	Very high	93	Very high	115 Å²	115	37.7 Å²	37.7	43%	0.434	18%	0.177	S	C	.	.	H	α-helix	trans	-61	-40.2	176.9	-173	173.5	72.2	92.2	0.4	111.9	F767 E881 E882 F883 K889	F767-R885 HydrophobicContact CD2-CB 4.18Å; F767-R885 HydrophobicContact CD2-CG 4.1Å; F767-R885 HydrophobicContact CE2-CG 4.06Å; E881-R885 VanDerWaalsContact O-CB 3.24Å; E881-R885 WeakPolarHBondContact O-CB 3.37Å; E881-R885 PolarHBondContact O-N 3.22Å; E882-R885 PolarHBondContact O-N 2.84Å; E882-R885 IonicContact OE1-CZ 2.95Å; E882-R885 IonicContact OE1-NE 2.82Å; E882-R885 PolarHBondContact OE1-NE 3.13Å; E882-R885 IonicContact OE1-NH2 3.59Å; E882-R885 PolarHBondContact OE1-NH2 3.43Å; E882-R885 IonicContact OE2-CZ 2.67Å; E882-R885 IonicContact OE2-NE 3.8Å; E882-R885 IonicContact OE2-NH2 3.48Å; E882-R885 PolarHBondContact OE2-NH2 2.76Å; F883-R885 VanDerWaalsContact C-N 3.31Å; F883-R885 PolarHBondContact O-N 3.48Å; R885-K889 PolarHBondContact O-N 3.02Å
886	G	93.1	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-48.4	174.5	0	0	0	0	0	112.6	F767 G770 L771 E882 F883 R884 K889	F767-G886 VanDerWaalsContact CD2-CA 3.48Å; F767-G886 WeakPolarHBondContact O-CA 3.42Å; G770-G886 VanDerWaalsContact C-C 3.45Å; L771-G886 WeakPolarHBondContact CA-O 3.1Å; E882-G886 PolarHBondContact O-N 3.11Å; F883-G886 PolarHBondContact O-N 2.66Å; F883-G886 VanDerWaalsContact O-N 3.13Å; R884-G886 VanDerWaalsContact C-N 3.32Å; R884-G886 PolarHBondContact O-N 2.85Å; G886-K889 VanDerWaalsContact O-CB 3.31Å; G886-K889 WeakPolarHBondContact O-CB 3.43Å; G886-K889 PolarHBondContact O-N 2.87Å
887	F	94.6	Very high	92.8	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-51	-178.7	-178.4	-95.6	0	0	0	112.2	G770 C773 L777 L795 F883 R884 K889 M890 C891 I896 I908	G770-F887 VanDerWaalsContact C-N 3.34Å; G770-F887 VanDerWaalsContact O-CA 3.23Å; G770-F887 WeakPolarHBondContact O-CA 3.24Å; G770-F887 PolarHBondContact O-N 3.1Å; C773-F887 HydrophobicContact CB-CD2 4.05Å; L777-F887 HydrophobicContact CD2-CE2 4.23Å; L777-F887 HydrophobicContact CD2-CZ 3.85Å; L795-F887 HydrophobicContact CD1-CD1 4.42Å; L795-F887 HydrophobicContact CD1-CE1 4.23Å; L795-F887 HydrophobicContact CD1-CZ 4.28Å; L795-F887 HydrophobicContact CD2-CD1 3.83Å; L795-F887 HydrophobicContact CD2-CE1 4.28Å; L795-F887 HydrophobicContact CD2-CG 4.22Å; F883-F887 PolarHBondContact O-N 3.38Å; R884-F887 PolarHBondContact O-N 2.97Å; F887-K889 PolarHBondContact O-N 3.19Å; F887-M890 PolarHBondContact O-N 3.09Å; F887-C891 HydrophobicContact CE1-CB 4.25Å; F887-C891 PolarHBondContact O-N 2.84Å; F887-I896 HydrophobicContact CE1-CD1 4.43Å; F887-I896 HydrophobicContact CE1-CG1 4.27Å; F887-I896 HydrophobicContact CE1-CG2 4.36Å; F887-I896 HydrophobicContact CZ-CD1 4.38Å; F887-I908 HydrophobicContact CE2-CD1 3.87Å; F887-I908 HydrophobicContact CZ-CD1 3.85Å
888	Y	92.8	Very high	92.7	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-76.2	-3.4	179.4	-72.2	-58.8	0	0	0	114.4	L795 R884 M890 E893 I896	L795-Y888 HydrophobicContact CD2-CE2 4.08Å; L795-Y888 PolarHBondContact O-OH 3.32Å; R884-Y888 HydrophobicContact CG-CD2 3.63Å; R884-Y888 HydrophobicContact CG-CE2 3.83Å; R884-Y888 WeakPolarHBondContact O-CD2 3.23Å; R884-Y888 PolarHBondContact O-N 2.96Å; Y888-M890 PolarHBondContact O-N 3.38Å; Y888-E893 HydrophobicContact CD1-CB 3.77Å; Y888-E893 HydrophobicContact CD1-CG 4.16Å; Y888-E893 HydrophobicContact CE1-CB 3.82Å; Y888-E893 HydrophobicContact CE1-CG 3.85Å; Y888-E893 HydrophobicContact CE2-CG 4.4Å; Y888-E893 HydrophobicContact CG-CB 4.4Å; Y888-I896 HydrophobicContact CE1-CB 3.96Å; Y888-I896 HydrophobicContact CE1-CG1 4.01Å; Y888-I896 HydrophobicContact CE1-CG2 4.08Å; Y888-I896 WeakPolarHBondContact OH-CG2 3.26Å
889	K	89.7	Confident	92.6	Very high	54 Å²	54	34.6 Å²	34.6	24%	0.235	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-29.9	167.4	-171	174.6	171.2	-170.8	0	111.5	F700 E701 E703 F767 L771 R885 G886 F887	F700-K889 PolarHBondContact O-NZ 3.09Å; E701-K889 PolarHBondContact O-NZ 3.23Å; E703-K889 WeakPolarHBondContact O-CE 3.29Å; E703-K889 PolarHBondContact O-NZ 3.04Å; F767-K889 HydrophobicContact CE2-CD 4.41Å; F767-K889 HydrophobicContact CZ-CD 3.82Å; L771-K889 HydrophobicContact CD1-CB 3.87Å; L771-K889 HydrophobicContact CD1-CD 3.8Å; L771-K889 HydrophobicContact CD1-CG 4.08Å; R885-K889 PolarHBondContact O-N 3.02Å; G886-K889 VanDerWaalsContact O-CB 3.31Å; G886-K889 WeakPolarHBondContact O-CB 3.43Å; G886-K889 PolarHBondContact O-N 2.87Å; F887-K889 PolarHBondContact O-N 3.19Å
890	M	86.4	Confident	92.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-97.4	-43	177.3	-66.8	-52.5	122.7	0	0	113.2	L705 R706 L771 L775 F778 F887 Y888	L705-M890 HydrophobicContact CB-CE 3.5Å; L705-M890 VanDerWaalsContact CB-CE 3.5Å; L705-M890 HydrophobicContact CB-SD 3.95Å; L705-M890 HydrophobicContact CD1-CE 3.86Å; L705-M890 HydrophobicContact CG-CE 4.17Å; R706-M890 HydrophobicContact CG-SD 4.29Å; L771-M890 HydrophobicContact CD1-CE 3.25Å; L771-M890 HydrophobicContact CD1-CG 4.14Å; L771-M890 HydrophobicContact CG-CE 4.32Å; L775-M890 HydrophobicContact CB-CG 4.35Å; L775-M890 HydrophobicContact CD1-SD 4.3Å; F778-M890 HydrophobicContact CB-CB 4.49Å; F887-M890 PolarHBondContact O-N 3.09Å; Y888-M890 PolarHBondContact O-N 3.38Å
891	C	87.8	Confident	92.3	Very high	10 Å²	10	37.9 Å²	37.9	7%	0.068	17%	0.17	C	C	.	.	S	Bend	trans	-95.3	143.9	-169.7	-57.6	0	0	0	0	112.2	F887 E893 I896	F887-C891 HydrophobicContact CE1-CB 4.25Å; F887-C891 PolarHBondContact O-N 2.84Å; C891-E893 PolarHBondContact O-N 2.84Å; C891-I896 HydrophobicContact CB-CD1 4.15Å; C891-I896 HydrophobicContact CB-CG1 3.94Å
892	D	88.1	Confident	92.1	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	17%	0.17	C	C	.	.			trans	-75	117.6	173.3	-169.2	-82.7	0	0	0	110.3	K613 D894 I895 I896	K613-D892 VanDerWaalsContact NZ-CG 3.35Å; K613-D892 IonicContact NZ-OD1 3.01Å; K613-D892 PolarHBondContact NZ-OD1 2.91Å; K613-D892 VanDerWaalsContact NZ-OD1 3.14Å; K613-D892 IonicContact NZ-OD2 2.57Å; K613-D892 PolarHBondContact NZ-OD2 2.84Å; D892-D894 VanDerWaalsContact C-N 3.26Å; D892-D894 PolarHBondContact O-N 3.26Å; D892-D894 WeakPolarHBondContact OD1-CB 3.28Å; D892-D894 PolarHBondContact OD1-N 2.8Å; D892-D894 VanDerWaalsContact OD1-N 3.1Å; D892-I895 HydrophobicContact CB-CB 4.22Å; D892-I895 HydrophobicContact CB-CD1 4.03Å; D892-I895 HydrophobicContact CB-CG1 4.06Å; D892-I895 PolarHBondContact O-N 3.34Å; D892-I895 PolarHBondContact OD1-N 3.34Å; D892-I896 WeakPolarHBondContact O-CG1 3.38Å; D892-I896 PolarHBondContact O-N 2.82Å
893	E	90.7	Very high	91.9	Very high	65 Å²	65	36.9 Å²	36.9	30%	0.304	17%	0.166	S	C	.	.	H	α-helix	trans	-57.6	-37.9	-176.6	-174	171.4	-175.1	0	0	112.8	R884 Y888 C891 I895 I896 K897	R884-E893 IonicContact NH2-OE1 2.94Å; R884-E893 PolarHBondContact NH2-OE1 2.73Å; Y888-E893 HydrophobicContact CD1-CB 3.77Å; Y888-E893 HydrophobicContact CD1-CG 4.16Å; Y888-E893 HydrophobicContact CE1-CB 3.82Å; Y888-E893 HydrophobicContact CE1-CG 3.85Å; Y888-E893 HydrophobicContact CE2-CG 4.4Å; Y888-E893 HydrophobicContact CG-CB 4.4Å; C891-E893 PolarHBondContact O-N 2.84Å; E893-I895 PolarHBondContact O-N 2.7Å; E893-I896 PolarHBondContact O-N 3.12Å; E893-K897 HydrophobicContact CG-CD 4.03Å; E893-K897 WeakPolarHBondContact O-CB 3.06Å; E893-K897 VanDerWaalsContact O-CG 3.27Å; E893-K897 WeakPolarHBondContact O-CG 3.38Å; E893-K897 PolarHBondContact O-N 3.45Å; E893-K897 WeakPolarHBondContact OE1-CE 3.49Å; E893-K897 IonicContact OE1-NZ 3.71Å; E893-K897 PolarHBondContact OE1-NZ 2.88Å
894	D	88.7	Confident	91.8	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-72.3	-32.3	-177.8	-57.1	-43.3	0	0	0	112.4	R609 K613 D892 L898	R609-D894 IonicContact NH2-OD2 2.71Å; K613-D894 WeakPolarHBondContact CE-OD2 3.47Å; K613-D894 IonicContact NZ-OD2 2.7Å; K613-D894 PolarHBondContact NZ-OD2 3.06Å; D892-D894 VanDerWaalsContact C-N 3.26Å; D892-D894 PolarHBondContact O-N 3.26Å; D892-D894 WeakPolarHBondContact OD1-CB 3.28Å; D892-D894 PolarHBondContact OD1-N 2.8Å; D892-D894 VanDerWaalsContact OD1-N 3.1Å; D894-L898 WeakPolarHBondContact O-CG 3.48Å
895	I	90.6	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-72.3	-41.6	174.9	-62.6	179.1	0	0	0	110	L644 D647 D892 E893 K897 L898	L644-I895 HydrophobicContact CB-CG2 4.04Å; L644-I895 HydrophobicContact CD1-CG2 3.83Å; D647-I895 HydrophobicContact CB-CD1 3.48Å; D647-I895 VanDerWaalsContact CB-CD1 3.48Å; D647-I895 VanDerWaalsContact CG-CD1 3.45Å; D892-I895 HydrophobicContact CB-CB 4.22Å; D892-I895 HydrophobicContact CB-CD1 4.03Å; D892-I895 HydrophobicContact CB-CG1 4.06Å; D892-I895 PolarHBondContact O-N 3.34Å; D892-I895 PolarHBondContact OD1-N 3.34Å; E893-I895 PolarHBondContact O-N 2.7Å; I895-K897 VanDerWaalsContact C-N 3.27Å; I895-K897 PolarHBondContact O-N 3.03Å; I895-L898 HydrophobicContact CG2-CD1 4.5Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 WeakPolarHBondContact O-CG 3.23Å; I895-L898 PolarHBondContact O-N 2.86Å; I895-L898 VanDerWaalsContact O-N 3.13Å
896	I	93.4	Very high	91.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-40	176.9	-64.4	-62.1	0	0	0	110.5	L644 L777 L796 F887 Y888 C891 D892 E893 L898 F899 L904	L644-I896 HydrophobicContact CD1-CD1 4.22Å; L777-I896 HydrophobicContact CD2-CD1 3.74Å; L796-I896 HydrophobicContact CD2-CG2 3.99Å; L796-I896 WeakPolarHBondContact CD2-O 3.42Å; F887-I896 HydrophobicContact CE1-CD1 4.43Å; F887-I896 HydrophobicContact CE1-CG1 4.27Å; F887-I896 HydrophobicContact CE1-CG2 4.36Å; F887-I896 HydrophobicContact CZ-CD1 4.38Å; Y888-I896 HydrophobicContact CE1-CB 3.96Å; Y888-I896 HydrophobicContact CE1-CG1 4.01Å; Y888-I896 HydrophobicContact CE1-CG2 4.08Å; Y888-I896 WeakPolarHBondContact OH-CG2 3.26Å; C891-I896 HydrophobicContact CB-CD1 4.15Å; C891-I896 HydrophobicContact CB-CG1 3.94Å; D892-I896 WeakPolarHBondContact O-CG1 3.38Å; D892-I896 PolarHBondContact O-N 2.82Å; E893-I896 PolarHBondContact O-N 3.12Å; I896-L898 PolarHBondContact O-N 3.4Å; I896-F899 WeakPolarHBondContact O-CD2 3.42Å; I896-F899 PolarHBondContact O-N 3.33Å; I896-F899 VanDerWaalsContact O-N 3.13Å; I896-L904 HydrophobicContact CD1-CD1 4.19Å; I896-L904 HydrophobicContact CG2-CD1 4.07Å; I896-L904 HydrophobicContact CG2-CD2 3.92Å
897	K	92.4	Very high	91.3	Very high	85 Å²	85	33.3 Å²	33.3	37%	0.37	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.2	177	-76.7	174.1	174.5	177.9	0	115.2	D797 E893 I895 F899	D797-K897 WeakPolarHBondContact OD2-CE 3.32Å; D797-K897 IonicContact OD2-NZ 3.03Å; D797-K897 PolarHBondContact OD2-NZ 3.1Å; E893-K897 HydrophobicContact CG-CD 4.03Å; E893-K897 WeakPolarHBondContact O-CB 3.06Å; E893-K897 VanDerWaalsContact O-CG 3.27Å; E893-K897 WeakPolarHBondContact O-CG 3.38Å; E893-K897 PolarHBondContact O-N 3.45Å; E893-K897 WeakPolarHBondContact OE1-CE 3.49Å; E893-K897 IonicContact OE1-NZ 3.71Å; E893-K897 PolarHBondContact OE1-NZ 2.88Å; I895-K897 VanDerWaalsContact C-N 3.27Å; I895-K897 PolarHBondContact O-N 3.03Å; K897-F899 VanDerWaalsContact C-N 3.33Å
898	L	91.7	Very high	91.1	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.089	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.4	174.2	-54.3	175	0	0	0	112.8	S629 P632 K640 L643 D894 I895 I896	S629-L898 WeakPolarHBondContact O-CD2 3.36Å; P632-L898 HydrophobicContact CB-CD2 3.79Å; P632-L898 HydrophobicContact CG-CD2 4.5Å; K640-L898 WeakPolarHBondContact CD-O 3.12Å; K640-L898 WeakPolarHBondContact CE-O 3.41Å; K640-L898 PolarHBondContact NZ-O 2.82Å; L643-L898 HydrophobicContact CD2-CD1 3.55Å; D894-L898 WeakPolarHBondContact O-CG 3.48Å; I895-L898 HydrophobicContact CG2-CD1 4.5Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 WeakPolarHBondContact O-CG 3.23Å; I895-L898 PolarHBondContact O-N 2.86Å; I895-L898 VanDerWaalsContact O-N 3.13Å; I896-L898 PolarHBondContact O-N 3.4Å
899	F	92.8	Very high	91.1	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.026	16%	0.157	C	C	.	.	S	Bend	trans	-83.7	149.2	-176.1	-69	-92.3	0	0	0	112.2	K640 I641 L644 L796 I896 K897 E903 L904 V907	K640-F899 HydrophobicContact CB-CD1 4.02Å; K640-F899 HydrophobicContact CB-CE1 3.47Å; K640-F899 VanDerWaalsContact CB-CE1 3.47Å; K640-F899 HydrophobicContact CB-CE2 4.11Å; K640-F899 HydrophobicContact CB-CZ 3.54Å; K640-F899 HydrophobicContact CD-CD1 4.09Å; K640-F899 HydrophobicContact CD-CE1 4.39Å; K640-F899 HydrophobicContact CD-CG 4.38Å; I641-F899 HydrophobicContact CG1-CE1 4.11Å; L644-F899 HydrophobicContact CB-CZ 4.43Å; L644-F899 HydrophobicContact CD2-CE2 4.39Å; L644-F899 HydrophobicContact CD2-CZ 4.31Å; L796-F899 WeakPolarHBondContact CD1-O 3.1Å; I896-F899 WeakPolarHBondContact O-CD2 3.42Å; I896-F899 PolarHBondContact O-N 3.33Å; I896-F899 VanDerWaalsContact O-N 3.13Å; K897-F899 VanDerWaalsContact C-N 3.33Å; F899-E903 HydrophobicContact CB-CB 4.34Å; F899-E903 HydrophobicContact CD1-CB 3.92Å; F899-L904 HydrophobicContact CB-CB 4.04Å; F899-V907 HydrophobicContact CD1-CG2 4.48Å; F899-V907 HydrophobicContact CE1-CG2 3.92Å
900	H	91.8	Very high	91	Very high	82 Å²	82	30.2 Å²	30.2	38%	0.38	15%	0.149	S	C	.	.			trans	-75.3	156.4	160.5	-68.4	-71.7	0	0	0	110.5	E902 E903 L904	H900-E902 VanDerWaalsContact C-N 3.26Å; H900-E902 PolarHBondContact O-N 3.21Å; H900-E903 HydrophobicContact CB-CB 4.4Å; H900-E903 HydrophobicContact CB-CG 4.03Å; H900-E903 IonicContact CD2-OE1 3.95Å; H900-E903 IonicContact CD2-OE2 2.74Å; H900-E903 PolarHBondContact N-OE2 3.02Å; H900-E903 WeakPolarHBondContact O-CB 3.46Å; H900-E903 PolarHBondContact O-N 2.87Å; H900-E903 VanDerWaalsContact O-N 3.11Å; H900-L904 PolarHBondContact O-N 2.76Å
901	P	94.3	Very high	90.8	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	16%	0.155	C	C	.	.	H	α-helix	trans	-54.5	-40.6	-178.7	-26.4	34.3	0	0	0	113.8	L789 F792 K793 L796 Q798 L904 K905	L789-P901 HydrophobicContact CD1-CB 3.85Å; L789-P901 HydrophobicContact CG-CB 4.11Å; F792-P901 HydrophobicContact CB-CB 4.46Å; K793-P901 HydrophobicContact CG-CB 3.77Å; K793-P901 HydrophobicContact CG-CG 3.69Å; L796-P901 HydrophobicContact CD1-CB 4.26Å; L796-P901 HydrophobicContact CD1-CG 3.92Å; Q798-P901 VanDerWaalsContact OE1-CG 3.28Å; P901-L904 PolarHBondContact O-N 3.11Å; P901-K905 WeakPolarHBondContact O-CB 3.27Å; P901-K905 PolarHBondContact O-N 3.43Å
902	E	92	Very high	90.6	Very high	100 Å²	100	33.7 Å²	33.7	47%	0.467	17%	0.168	S	C	.	.	H	α-helix	trans	-67.1	-45.3	178.1	-57.6	78.6	-174.3	0	0	110.5	L789 H900 L904 K905 D906	L789-E902 HydrophobicContact CD1-CG 4.2Å; L789-E902 HydrophobicContact CD2-CG 4.25Å; H900-E902 VanDerWaalsContact C-N 3.26Å; H900-E902 PolarHBondContact O-N 3.21Å; E902-L904 VanDerWaalsContact C-N 3.33Å; E902-L904 PolarHBondContact O-N 3.31Å; E902-K905 WeakPolarHBondContact O-CB 3.41Å; E902-K905 PolarHBondContact O-N 3.13Å; E902-D906 PolarHBondContact O-N 3.14Å
903	E	92.1	Very high	90.3	Very high	24 Å²	24	38 Å²	38	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.1	-64	176.1	161.4	0	0	111.5	H637 K640 F899 H900 D906 V907	H637-E903 HydrophobicContact CB-CG 4.46Å; K640-E903 IonicContact NZ-OE1 3.78Å; K640-E903 PolarHBondContact NZ-OE1 2.77Å; K640-E903 IonicContact NZ-OE2 2.77Å; K640-E903 PolarHBondContact NZ-OE2 3.21Å; F899-E903 HydrophobicContact CB-CB 4.34Å; F899-E903 HydrophobicContact CD1-CB 3.92Å; H900-E903 HydrophobicContact CB-CB 4.4Å; H900-E903 HydrophobicContact CB-CG 4.03Å; H900-E903 IonicContact CD2-OE1 3.95Å; H900-E903 IonicContact CD2-OE2 2.74Å; H900-E903 PolarHBondContact N-OE2 3.02Å; H900-E903 WeakPolarHBondContact O-CB 3.46Å; H900-E903 PolarHBondContact O-N 2.87Å; H900-E903 VanDerWaalsContact O-N 3.11Å; E903-D906 WeakPolarHBondContact O-CB 3.18Å; E903-D906 PolarHBondContact O-N 3.13Å; E903-V907 VanDerWaalsContact O-CG2 3.31Å; E903-V907 WeakPolarHBondContact O-CG2 3.47Å; E903-V907 PolarHBondContact O-N 3.01Å
904	L	93.5	Very high	90.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-41.3	178.5	-176.3	63	0	0	0	111.5	F792 L795 L796 I896 F899 H900 P901 E902 D906 V907 I908	F792-L904 HydrophobicContact CB-CD2 4.35Å; F792-L904 HydrophobicContact CD1-CD2 4.29Å; F792-L904 HydrophobicContact CD1-CG 4.07Å; L795-L904 HydrophobicContact CB-CD2 4.21Å; L795-L904 HydrophobicContact CD1-CD2 4.37Å; L796-L904 HydrophobicContact CD1-CB 4.48Å; L796-L904 HydrophobicContact CD1-CD2 4.21Å; L796-L904 HydrophobicContact CD2-CD2 4.01Å; L796-L904 HydrophobicContact CG-CD2 3.92Å; I896-L904 HydrophobicContact CD1-CD1 4.19Å; I896-L904 HydrophobicContact CG2-CD1 4.07Å; I896-L904 HydrophobicContact CG2-CD2 3.92Å; F899-L904 HydrophobicContact CB-CB 4.04Å; H900-L904 PolarHBondContact O-N 2.76Å; P901-L904 PolarHBondContact O-N 3.11Å; E902-L904 VanDerWaalsContact C-N 3.33Å; E902-L904 PolarHBondContact O-N 3.31Å; L904-D906 VanDerWaalsContact C-N 3.28Å; L904-D906 PolarHBondContact O-N 3.1Å; L904-V907 PolarHBondContact O-N 3.1Å; L904-I908 HydrophobicContact CD1-CD1 3.76Å; L904-I908 HydrophobicContact CD1-CG1 4.27Å; L904-I908 HydrophobicContact CG-CD1 3.86Å; L904-I908 WeakPolarHBondContact O-CG1 3.3Å; L904-I908 PolarHBondContact O-N 2.79Å; L904-I908 VanDerWaalsContact O-N 3.11Å
905	K	92.9	Very high	90	Very high	52 Å²	52	36.5 Å²	36.5	23%	0.226	18%	0.183	C	C	.	.	H	α-helix	trans	-57	-45.6	172.4	-177.9	173.1	-178.4	178	0	110.3	L789 F792 E807 P901 E902 V907 I908 V909	L789-K905 HydrophobicContact CD1-CB 4.4Å; L789-K905 HydrophobicContact CD1-CD 4.07Å; F792-K905 HydrophobicContact CD1-CB 4.13Å; F792-K905 HydrophobicContact CD2-CB 3.7Å; F792-K905 HydrophobicContact CD2-CD 4.07Å; F792-K905 HydrophobicContact CD2-CG 3.92Å; F792-K905 HydrophobicContact CE1-CB 4.2Å; F792-K905 HydrophobicContact CE1-CG 4.49Å; F792-K905 HydrophobicContact CE2-CB 3.78Å; F792-K905 HydrophobicContact CE2-CD 3.85Å; F792-K905 HydrophobicContact CE2-CG 3.53Å; F792-K905 HydrophobicContact CG-CB 3.88Å; F792-K905 HydrophobicContact CZ-CB 4.03Å; F792-K905 HydrophobicContact CZ-CG 3.85Å; E807-K905 IonicContact OE1-NZ 3.43Å; E807-K905 PolarHBondContact OE1-NZ 3.29Å; P901-K905 WeakPolarHBondContact O-CB 3.27Å; P901-K905 PolarHBondContact O-N 3.43Å; E902-K905 WeakPolarHBondContact O-CB 3.41Å; E902-K905 PolarHBondContact O-N 3.13Å; K905-V907 PolarHBondContact O-N 3.43Å; K905-I908 PolarHBondContact O-N 3.31Å; K905-V909 HydrophobicContact CG-CG2 4.15Å; K905-V909 WeakPolarHBondContact O-CA 3.42Å; K905-V909 WeakPolarHBondContact O-CB 3.49Å; K905-V909 WeakPolarHBondContact O-CG2 3.25Å; K905-V909 PolarHBondContact O-N 2.68Å
906	D	89.9	Confident	89.9	Confident	46 Å²	46	38.1 Å²	38.1	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-39.9	-179.9	-68.5	-17.9	0	0	0	113	E902 E903 L904 G910 H911	E902-D906 PolarHBondContact O-N 3.14Å; E903-D906 WeakPolarHBondContact O-CB 3.18Å; E903-D906 PolarHBondContact O-N 3.13Å; L904-D906 VanDerWaalsContact C-N 3.28Å; L904-D906 PolarHBondContact O-N 3.1Å; D906-G910 WeakPolarHBondContact O-CA 3.44Å; D906-G910 PolarHBondContact O-N 3.4Å; D906-H911 IonicContact OD1-CE1 3.75Å; D906-H911 PolarHBondContact OD1-CE1 2.86Å; D906-H911 IonicContact OD1-ND1 3.67Å; D906-H911 IonicContact OD1-NE2 3.49Å; D906-H911 IonicContact OD2-CE1 2.7Å; D906-H911 PolarHBondContact OD2-CE1 2.8Å; D906-H911 VanDerWaalsContact OD2-CE1 3.26Å; D906-H911 IonicContact OD2-NE2 3.03Å
907	V	90.9	Very high	89.7	Confident	13 Å²	13	46.1 Å²	46.1	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-72.6	-35.6	-179.5	-180	0	0	0	0	112.2	I641 L644 L777 V782 F899 E903 L904 K905	I641-V907 HydrophobicContact CD1-CG2 3.78Å; I641-V907 HydrophobicContact CG1-CG2 3.58Å; L644-V907 HydrophobicContact CD2-CG1 4.29Å; L777-V907 HydrophobicContact CD1-CG1 3.51Å; V782-V907 WeakPolarHBondContact CG1-O 3.34Å; F899-V907 HydrophobicContact CD1-CG2 4.48Å; F899-V907 HydrophobicContact CE1-CG2 3.92Å; E903-V907 VanDerWaalsContact O-CG2 3.31Å; E903-V907 WeakPolarHBondContact O-CG2 3.47Å; E903-V907 PolarHBondContact O-N 3.01Å; L904-V907 PolarHBondContact O-N 3.1Å; K905-V907 PolarHBondContact O-N 3.43Å
908	I	91.6	Very high	89.4	Confident	9 Å²	9	44 Å²	44	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-82.9	-46.7	-178.7	-66.5	173.5	0	0	0	111	L777 V782 A783 L785 F792 F887 L904 K905	L777-I908 HydrophobicContact CD1-CG1 4.26Å; L777-I908 HydrophobicContact CD2-CD1 4.34Å; L777-I908 HydrophobicContact CD2-CG1 4.03Å; V782-I908 WeakPolarHBondContact CA-O 3.23Å; A783-I908 PolarHBondContact N-O 2.86Å; A783-I908 VanDerWaalsContact N-O 3.12Å; L785-I908 HydrophobicContact CD1-CG2 3.73Å; F792-I908 HydrophobicContact CD1-CD1 4.17Å; F792-I908 HydrophobicContact CE1-CB 4.17Å; F792-I908 HydrophobicContact CE1-CD1 3.92Å; F792-I908 HydrophobicContact CE1-CG2 4.34Å; F887-I908 HydrophobicContact CE2-CD1 3.87Å; F887-I908 HydrophobicContact CZ-CD1 3.85Å; L904-I908 HydrophobicContact CD1-CD1 3.76Å; L904-I908 HydrophobicContact CD1-CG1 4.27Å; L904-I908 HydrophobicContact CG-CD1 3.86Å; L904-I908 WeakPolarHBondContact O-CG1 3.3Å; L904-I908 PolarHBondContact O-N 2.79Å; L904-I908 VanDerWaalsContact O-N 3.11Å; K905-I908 PolarHBondContact O-N 3.31Å
909	V	91.3	Very high	89.3	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-89.6	-37.6	-171.3	-174.8	0	0	0	0	111.2	A783 L785 F792 K905 R963	A783-V909 WeakPolarHBondContact O-CA 3.43Å; L785-V909 HydrophobicContact CB-CG2 4.23Å; F792-V909 HydrophobicContact CE1-CG2 4.29Å; F792-V909 HydrophobicContact CE2-CG2 4.5Å; F792-V909 HydrophobicContact CZ-CG2 3.62Å; K905-V909 HydrophobicContact CG-CG2 4.15Å; K905-V909 WeakPolarHBondContact O-CA 3.42Å; K905-V909 WeakPolarHBondContact O-CB 3.49Å; K905-V909 WeakPolarHBondContact O-CG2 3.25Å; K905-V909 PolarHBondContact O-N 2.68Å; V909-R963 WeakPolarHBondContact O-CD 3.4Å
910	G	87.4	Confident	89.2	Confident	6 Å²	6	46.2 Å²	46.2	6%	0.062	23%	0.228	C	C	.	.			trans	73.9	164.1	-173.2	0	0	0	0	0	113.4	D906 R963 L964	D906-G910 WeakPolarHBondContact O-CA 3.44Å; D906-G910 PolarHBondContact O-N 3.4Å; G910-R963 PolarHBondContact O-NH1 3.16Å; G910-L964 CarbonylContact C-O 3.52Å; G910-L964 WeakPolarHBondContact CA-O 3.32Å
911	H	82.9	Confident	89.2	Confident	32 Å²	32	50.9 Å²	50.9	15%	0.148	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-97.6	157.9	-174	-54.3	-79.8	0	0	0	112.8	D906 L964 T966	D906-H911 IonicContact OD1-CE1 3.75Å; D906-H911 PolarHBondContact OD1-CE1 2.86Å; D906-H911 IonicContact OD1-ND1 3.67Å; D906-H911 IonicContact OD1-NE2 3.49Å; D906-H911 IonicContact OD2-CE1 2.7Å; D906-H911 PolarHBondContact OD2-CE1 2.8Å; D906-H911 VanDerWaalsContact OD2-CE1 3.26Å; D906-H911 IonicContact OD2-NE2 3.03Å; H911-L964 PolarHBondContact N-O 3.11Å; H911-L964 PolarHBondContact O-N 3.2Å; H911-T966 PolarHBondContact NE2-OG1 2.73Å
912	T	83.2	Confident	89	Confident	53 Å²	53	53 Å²	53	33%	0.325	26%	0.259	S	S	.	.			trans	-115.9	17.9	170.3	60.9	0	0	0	0	112.1	Y914	T912-Y914 WeakPolarHBondContact CB-OH 3.37Å; T912-Y914 WeakPolarHBondContact CG2-OH 3.26Å; T912-Y914 WeakPolarHBondContact O-CD2 3.16Å; T912-Y914 WeakPolarHBondContact O-CE2 3.37Å; T912-Y914 PolarHBondContact O-N 3.14Å; T912-Y914 VanDerWaalsContact O-N 3.11Å
913	D	82.6	Confident	89	Confident	120 Å²	120	49 Å²	49	64%	0.642	24%	0.242	S	C	*	.			trans	-83.7	82.6	177.3	-67.7	-19.9	0	0	0	109.8
914	Y	85.5	Confident	89	Confident	26 Å²	26	55 Å²	55	10%	0.102	26%	0.263	C	S	.	.			trans	-84.7	126.9	-176.8	-45.9	-73.6	0	0	0	112.2	T912 W916 L948 K952 L955 D962 L964	T912-Y914 WeakPolarHBondContact CB-OH 3.37Å; T912-Y914 WeakPolarHBondContact CG2-OH 3.26Å; T912-Y914 WeakPolarHBondContact O-CD2 3.16Å; T912-Y914 WeakPolarHBondContact O-CE2 3.37Å; T912-Y914 PolarHBondContact O-N 3.14Å; T912-Y914 VanDerWaalsContact O-N 3.11Å; Y914-W916 VanDerWaalsContact CB-CZ2 3.47Å; Y914-W916 AromaticContact CD1-CH2 4Å; Y914-W916 HydrophobicContact CD1-CH2 4Å; Y914-W916 HydrophobicContact CD1-CZ2 4.03Å; Y914-W916 AromaticContact CD2-CE2 3.95Å; Y914-W916 HydrophobicContact CD2-CH2 4.12Å; Y914-W916 AromaticContact CD2-CZ2 3.36Å; Y914-W916 HydrophobicContact CD2-CZ2 3.36Å; Y914-W916 HydrophobicContact CE2-CZ2 4.08Å; Y914-W916 AromaticContact CG-CE2 3.79Å; Y914-W916 AromaticContact CG-CH2 3.78Å; Y914-W916 HydrophobicContact CG-CH2 3.78Å; Y914-W916 AromaticContact CG-CZ2 3.33Å; Y914-W916 HydrophobicContact CG-CZ2 3.33Å; Y914-W916 PolarHBondContact O-N 3.04Å; Y914-L948 HydrophobicContact CD2-CD1 4.04Å; Y914-L948 HydrophobicContact CE2-CD1 4.21Å; Y914-K952 HydrophobicContact CE2-CG 3.94Å; Y914-L955 HydrophobicContact CD1-CD2 3.97Å; Y914-L955 HydrophobicContact CE1-CD2 3.53Å; Y914-D962 WeakPolarHBondContact CE1-O 3.48Å; Y914-D962 PolarHBondContact OH-O 3.06Å; Y914-L964 HydrophobicContact CD1-CD1 3.78Å; Y914-L964 HydrophobicContact CD1-CG 4.16Å; Y914-L964 HydrophobicContact CE1-CD1 4.3Å; Y914-L964 HydrophobicContact CE1-CG 4.2Å
915	D	87	Confident	89	Confident	78 Å²	78	58.3 Å²	58.3	42%	0.417	28%	0.276	S	S	.	.			trans	-95.7	85	163.3	-174.2	-8.9	0	0	0	110.3	K917 T918 F919	D915-K917 PolarHBondContact O-N 3.37Å; D915-K917 WeakPolarHBondContact OD1-CB 3.48Å; D915-K917 PolarHBondContact OD1-N 2.82Å; D915-K917 VanDerWaalsContact OD1-N 3.08Å; D915-T918 VanDerWaalsContact CG-CB 3.49Å; D915-T918 VanDerWaalsContact CG-OG1 3.23Å; D915-T918 PolarHBondContact O-N 3.25Å; D915-T918 PolarHBondContact OD1-N 3.05Å; D915-T918 VanDerWaalsContact OD2-CB 3.31Å; D915-T918 WeakPolarHBondContact OD2-CB 3.49Å; D915-T918 PolarHBondContact OD2-OG1 2.79Å; D915-F919 PolarHBondContact O-N 3.36Å
916	W	89.1	Confident	88.8	Confident	35 Å²	35	60.2 Å²	60.2	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-23.4	179.7	-56.7	112.6	0	0	0	113.5	Y914 F919 E920 F943 L948 K951 L955 M972	Y914-W916 VanDerWaalsContact CB-CZ2 3.47Å; Y914-W916 AromaticContact CD1-CH2 4Å; Y914-W916 HydrophobicContact CD1-CH2 4Å; Y914-W916 HydrophobicContact CD1-CZ2 4.03Å; Y914-W916 AromaticContact CD2-CE2 3.95Å; Y914-W916 HydrophobicContact CD2-CH2 4.12Å; Y914-W916 AromaticContact CD2-CZ2 3.36Å; Y914-W916 HydrophobicContact CD2-CZ2 3.36Å; Y914-W916 HydrophobicContact CE2-CZ2 4.08Å; Y914-W916 AromaticContact CG-CE2 3.79Å; Y914-W916 AromaticContact CG-CH2 3.78Å; Y914-W916 HydrophobicContact CG-CH2 3.78Å; Y914-W916 AromaticContact CG-CZ2 3.33Å; Y914-W916 HydrophobicContact CG-CZ2 3.33Å; Y914-W916 PolarHBondContact O-N 3.04Å; W916-F919 HydrophobicContact CE3-CD1 4.04Å; W916-F919 HydrophobicContact CZ3-CD1 4.42Å; W916-E920 PolarHBondContact O-N 3.25Å; W916-E920 VanDerWaalsContact O-N 3.14Å; W916-F943 HydrophobicContact CD2-CE1 4.27Å; W916-F943 HydrophobicContact CD2-CZ 4.25Å; W916-F943 AromaticContact CE3-CE1 3.81Å; W916-F943 HydrophobicContact CE3-CE1 3.81Å; W916-F943 AromaticContact CE3-CZ 3.54Å; W916-F943 HydrophobicContact CE3-CZ 3.54Å; W916-F943 HydrophobicContact CH2-CZ 4.46Å; W916-F943 HydrophobicContact CZ3-CE1 4.4Å; W916-F943 AromaticContact CZ3-CZ 3.67Å; W916-F943 HydrophobicContact CZ3-CZ 3.67Å; W916-L948 HydrophobicContact CZ2-CD1 4.44Å; W916-K951 HydrophobicContact CD2-CD 4.15Å; W916-K951 HydrophobicContact CG-CD 4.43Å; W916-K951 HydrophobicContact CH2-CB 3.78Å; W916-K951 HydrophobicContact CZ2-CB 3.59Å; W916-K951 HydrophobicContact CZ2-CD 4.19Å; W916-K951 HydrophobicContact CZ2-CG 4.47Å; W916-K951 HydrophobicContact CZ3-CB 4.45Å; W916-L955 HydrophobicContact CH2-CD2 4.4Å; W916-M972 HydrophobicContact CE3-CE 3.99Å; W916-M972 HydrophobicContact CH2-CE 4.34Å; W916-M972 HydrophobicContact CZ3-CE 3.48Å; W916-M972 VanDerWaalsContact CZ3-CE 3.48Å
917	K	88.4	Confident	88.5	Confident	168 Å²	168	63.6 Å²	63.6	73%	0.73	31%	0.311	S	S	*	.	H	α-helix	trans	-74.4	-44.3	176.2	-68.3	-179.2	178	176.3	0	110.7	D915 F919 E920 K921	D915-K917 PolarHBondContact O-N 3.37Å; D915-K917 WeakPolarHBondContact OD1-CB 3.48Å; D915-K917 PolarHBondContact OD1-N 2.82Å; D915-K917 VanDerWaalsContact OD1-N 3.08Å; K917-F919 VanDerWaalsContact C-N 3.28Å; K917-E920 PolarHBondContact O-N 2.83Å; K917-K921 WeakPolarHBondContact O-CB 3.33Å; K917-K921 PolarHBondContact O-N 2.97Å
918	T	87.2	Confident	88.1	Confident	40 Å²	40	65.1 Å²	65.1	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-37	173.9	-66.7	0	0	0	0	110.9	D915 K921 N922	D915-T918 VanDerWaalsContact CG-CB 3.49Å; D915-T918 VanDerWaalsContact CG-OG1 3.23Å; D915-T918 PolarHBondContact O-N 3.25Å; D915-T918 PolarHBondContact OD1-N 3.05Å; D915-T918 VanDerWaalsContact OD2-CB 3.31Å; D915-T918 WeakPolarHBondContact OD2-CB 3.49Å; D915-T918 PolarHBondContact OD2-OG1 2.79Å; T918-K921 PolarHBondContact O-N 2.78Å; T918-N922 WeakPolarHBondContact O-CB 3.07Å; T918-N922 PolarHBondContact O-N 2.9Å; T918-N922 PolarHBondContact O-ND2 3.36Å
919	F	88.8	Confident	88.1	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-48	174.4	-179.6	-124.9	0	0	0	113.2	D915 W916 K917 N922 A923 W940 F943 L958 M972 K973 I974	D915-F919 PolarHBondContact O-N 3.36Å; W916-F919 HydrophobicContact CE3-CD1 4.04Å; W916-F919 HydrophobicContact CZ3-CD1 4.42Å; K917-F919 VanDerWaalsContact C-N 3.28Å; F919-N922 PolarHBondContact O-N 3.08Å; F919-A923 PolarHBondContact O-N 2.97Å; F919-W940 AromaticContact CD1-CH2 3.81Å; F919-W940 HydrophobicContact CD1-CH2 3.81Å; F919-W940 HydrophobicContact CD1-CZ3 4.02Å; F919-W940 AromaticContact CE1-CH2 3.88Å; F919-W940 HydrophobicContact CE1-CH2 3.88Å; F919-W940 HydrophobicContact CE1-CZ3 4.21Å; F919-F943 HydrophobicContact CD1-CE1 4.5Å; F919-F943 HydrophobicContact CD1-CZ 4.49Å; F919-F943 HydrophobicContact CE1-CZ 4.33Å; F919-L958 HydrophobicContact CE2-CD2 4.25Å; F919-L958 HydrophobicContact CZ-CD2 3.62Å; F919-M972 HydrophobicContact CB-CE 4.1Å; F919-M972 HydrophobicContact CB-SD 4.25Å; F919-M972 HydrophobicContact CD1-CE 3.79Å; F919-M972 HydrophobicContact CD2-CB 4.03Å; F919-M972 HydrophobicContact CD2-CE 3.35Å; F919-M972 HydrophobicContact CD2-CG 3.43Å; F919-M972 VanDerWaalsContact CD2-CG 3.43Å; F919-M972 HydrophobicContact CD2-SD 3.86Å; F919-M972 HydrophobicContact CE1-CE 3.93Å; F919-M972 HydrophobicContact CE2-CE 3.48Å; F919-M972 VanDerWaalsContact CE2-CE 3.48Å; F919-M972 HydrophobicContact CE2-CG 3.81Å; F919-M972 HydrophobicContact CE2-SD 4.38Å; F919-M972 HydrophobicContact CG-CE 3.48Å; F919-M972 VanDerWaalsContact CG-CE 3.48Å; F919-M972 HydrophobicContact CG-CG 4.27Å; F919-M972 HydrophobicContact CG-SD 4.14Å; F919-M972 HydrophobicContact CZ-CE 3.76Å; F919-K973 VanDerWaalsContact CE2-C 3.47Å; F919-I974 HydrophobicContact CE1-CG2 4.4Å; F919-I974 HydrophobicContact CE2-CB 3.94Å; F919-I974 HydrophobicContact CE2-CG2 4.24Å; F919-I974 HydrophobicContact CZ-CB 3.74Å; F919-I974 HydrophobicContact CZ-CD1 4.44Å; F919-I974 HydrophobicContact CZ-CG2 4.03Å
920	E	91.8	Very high	88.1	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-43.1	174.6	176.5	175.9	-173.9	0	0	111.8	W916 K917 N922 A923 W940 H944	W916-E920 PolarHBondContact O-N 3.25Å; W916-E920 VanDerWaalsContact O-N 3.14Å; K917-E920 PolarHBondContact O-N 2.83Å; E920-N922 PolarHBondContact O-N 2.92Å; E920-A923 WeakPolarHBondContact O-CB 3.43Å; E920-A923 PolarHBondContact O-N 2.86Å; E920-A923 VanDerWaalsContact O-N 3.08Å; E920-W940 HydrophobicContact CB-CD2 4.18Å; E920-W940 HydrophobicContact CB-CE3 3.99Å; E920-W940 HydrophobicContact CB-CH2 3.89Å; E920-W940 HydrophobicContact CB-CZ2 4.06Å; E920-W940 HydrophobicContact CB-CZ3 3.85Å; E920-W940 HydrophobicContact CG-CD2 3.68Å; E920-W940 HydrophobicContact CG-CE3 3.98Å; E920-W940 HydrophobicContact CG-CG 4.11Å; E920-W940 HydrophobicContact CG-CH2 4.33Å; E920-W940 HydrophobicContact CG-CZ2 4.05Å; E920-W940 HydrophobicContact CG-CZ3 4.3Å; E920-H944 IonicContact OE2-CD2 3.01Å; E920-H944 IonicContact OE2-CE1 3.82Å; E920-H944 IonicContact OE2-NE2 2.96Å; E920-H944 PolarHBondContact OE2-NE2 2.9Å
921	K	89.9	Confident	88.2	Confident	179 Å²	179	72.3 Å²	72.3	78%	0.778	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-33.2	178.4	-173.8	-178.4	177.4	-175.1	0	112.6	K917 T918 A923	K917-K921 WeakPolarHBondContact O-CB 3.33Å; K917-K921 PolarHBondContact O-N 2.97Å; T918-K921 PolarHBondContact O-N 2.78Å; K921-A923 VanDerWaalsContact C-N 3.25Å; K921-A923 PolarHBondContact O-N 2.93Å
922	N	91.1	Very high	88.6	Confident	51 Å²	51	75.1 Å²	75.1	27%	0.273	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	2.2	179.4	-72.3	-14.1	0	0	0	113.4	T918 F919 E920 K970 M972 K973	T918-N922 WeakPolarHBondContact O-CB 3.07Å; T918-N922 PolarHBondContact O-N 2.9Å; T918-N922 PolarHBondContact O-ND2 3.36Å; F919-N922 PolarHBondContact O-N 3.08Å; E920-N922 PolarHBondContact O-N 2.92Å; N922-K970 PolarHBondContact ND2-O 2.96Å; N922-M972 VanDerWaalsContact CB-O 3.22Å; N922-M972 WeakPolarHBondContact CB-O 3.36Å; N922-M972 PolarHBondContact ND2-O 2.78Å; N922-K973 HydrophobicContact CB-CB 4.15Å
923	A	91.8	Very high	89.1	Confident	14 Å²	14	74.5 Å²	74.5	12%	0.116	39%	0.388	C	S	.	.			trans	-60.3	136.8	179.6	0	0	0	0	0	112.3	F919 E920 K921 Y925 W940 I974 F976	F919-A923 PolarHBondContact O-N 2.97Å; E920-A923 WeakPolarHBondContact O-CB 3.43Å; E920-A923 PolarHBondContact O-N 2.86Å; E920-A923 VanDerWaalsContact O-N 3.08Å; K921-A923 VanDerWaalsContact C-N 3.25Å; K921-A923 PolarHBondContact O-N 2.93Å; A923-Y925 HydrophobicContact CB-CE2 4.44Å; A923-W940 HydrophobicContact CB-CZ2 3.94Å; A923-I974 CarbonylContact C-O 3.57Å; A923-I974 VanDerWaalsContact CA-O 3.29Å; A923-I974 WeakPolarHBondContact CA-O 3.41Å; A923-I974 HydrophobicContact CB-CG2 3.88Å; A923-F976 HydrophobicContact CB-CD2 4.5Å; A923-F976 HydrophobicContact CB-CE2 4.04Å
924	R	92.3	Very high	89.6	Confident	150 Å²	150	72.8 Å²	72.8	57%	0.566	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	154	176.8	-61.3	-175.3	-179.3	-164.3	-2.8	109.7	I974 T975 F976	R924-I974 PolarHBondContact N-O 2.97Å; R924-T975 HydrophobicContact CB-CG2 4.16Å; R924-T975 CarbonylContact O-C 3.58Å; R924-T975 WeakPolarHBondContact O-CA 3.03Å; R924-F976 PolarHBondContact O-N 3.24Å
925	Y	93.1	Very high	89.9	Confident	71 Å²	71	71.8 Å²	71.8	28%	0.278	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.4	-175.1	-50.3	-81.1	0	0	0	109.1	A923 Y929 I936 F976	A923-Y925 HydrophobicContact CB-CE2 4.44Å; Y925-Y929 WeakPolarHBondContact CB-O 3Å; Y925-I936 HydrophobicContact CD1-CD1 4.23Å; Y925-I936 HydrophobicContact CD1-CG1 4.32Å; Y925-I936 HydrophobicContact CE1-CD1 4.08Å; Y925-I936 HydrophobicContact CE1-CG1 4.12Å; Y925-I936 HydrophobicContact CE1-CG2 3.66Å; Y925-F976 HydrophobicContact CD1-CB 4.09Å; Y925-F976 AromaticContact CD1-CD2 3.82Å; Y925-F976 HydrophobicContact CD1-CD2 3.82Å; Y925-F976 HydrophobicContact CD1-CG 4.32Å; Y925-F976 AromaticContact CE1-CD2 3.57Å; Y925-F976 HydrophobicContact CE1-CD2 3.57Å; Y925-F976 HydrophobicContact CE1-CE2 4.07Å; Y925-F976 HydrophobicContact CE1-CG 4.37Å
926	E	89.9	Confident	90.3	Very high	93 Å²	93	68 Å²	68	44%	0.435	36%	0.36	S	S	.	.			trans	-72.3	164.1	168.6	-72.1	-66.4	166.3	0	0	110.6	G928 Y929 T975 F976 C977	E926-G928 PolarHBondContact O-N 3.44Å; E926-Y929 PolarHBondContact O-N 3.41Å; E926-Y929 VanDerWaalsContact O-N 3.1Å; E926-T975 HydrophobicContact CG-CG2 4.06Å; E926-F976 PolarHBondContact N-O 3.16Å; E926-C977 HydrophobicContact CB-CB 4.15Å; E926-C977 HydrophobicContact CG-CB 4Å
927	P	83.4	Confident	90.5	Very high	117 Å²	117	69 Å²	69	76%	0.76	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	127.4	177.6	-28.2	35.3	0	0	0	112.5
928	G	82.3	Confident	90.8	Very high	45 Å²	45	62.6 Å²	62.6	46%	0.464	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	-13.8	-176.2	0	0	0	0	0	114.8	E926	E926-G928 PolarHBondContact O-N 3.44Å
929	Y	91.2	Very high	91.2	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.055	33%	0.331	C	S	.	.			trans	-119.7	156.3	168.7	-79.6	-50.2	0	0	0	112.7	Y925 E926 H933 I936 F976 C978 L999 P1000 K1001	Y925-Y929 WeakPolarHBondContact CB-O 3Å; E926-Y929 PolarHBondContact O-N 3.41Å; E926-Y929 VanDerWaalsContact O-N 3.1Å; Y929-H933 HydrophobicContact CD1-CB 4.07Å; Y929-H933 AromaticContact CD1-CD2 3.95Å; Y929-H933 AromaticContact CD1-CG 3.67Å; Y929-H933 AromaticContact CD1-ND1 3.78Å; Y929-H933 AromaticContact CE1-CE1 3.73Å; Y929-H933 AromaticContact CE1-CG 4Å; Y929-H933 AromaticContact CE1-ND1 3.61Å; Y929-I936 HydrophobicContact CD1-CD1 3.93Å; Y929-I936 HydrophobicContact CD1-CG1 3.68Å; Y929-I936 HydrophobicContact CD2-CD1 4.38Å; Y929-I936 HydrophobicContact CE1-CD1 4.25Å; Y929-I936 HydrophobicContact CE1-CG1 4.19Å; Y929-I936 HydrophobicContact CG-CD1 4.03Å; Y929-I936 HydrophobicContact CG-CG1 4.12Å; Y929-F976 HydrophobicContact CD2-CB 3.96Å; Y929-C978 HydrophobicContact CD2-CB 4.22Å; Y929-C978 HydrophobicContact CE2-CB 3.51Å; Y929-L999 HydrophobicContact CE2-CB 4.21Å; Y929-L999 VanDerWaalsContact CE2-O 3.31Å; Y929-L999 WeakPolarHBondContact CE2-O 3.43Å; Y929-L999 PolarHBondContact OH-O 2.82Å; Y929-P1000 VanDerWaalsContact OH-C 3.32Å; Y929-P1000 PolarHBondContact OH-O 3.03Å; Y929-K1001 HydrophobicContact CE1-CG 4.19Å
930	N	90.6	Very high	91.5	Very high	78 Å²	78	61 Å²	61	42%	0.417	33%	0.332	S	S	.	.			trans	-153.9	171.8	167.9	60.1	48.2	0	0	0	108.8	S932 H933	N930-S932 PolarHBondContact O-N 3.49Å; N930-S932 VanDerWaalsContact O-N 3.16Å; N930-S932 PolarHBondContact OD1-N 2.96Å; N930-S932 PolarHBondContact OD1-OG 3.31Å; N930-H933 WeakPolarHBondContact O-CB 3.35Å; N930-H933 PolarHBondContact O-N 3.13Å; N930-H933 VanDerWaalsContact O-N 3.12Å; N930-H933 PolarHBondContact OD1-N 2.8Å
931	S	90	Very high	91.6	Very high	84 Å²	84	63.8 Å²	63.8	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.2	-177.2	54.6	0	0	0	0	114.6
932	S	92.1	Very high	91.8	Very high	91 Å²	91	55.4 Å²	55.4	64%	0.636	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.1	178.4	57.4	0	0	0	0	113.9	N930	N930-S932 PolarHBondContact O-N 3.49Å; N930-S932 VanDerWaalsContact O-N 3.16Å; N930-S932 PolarHBondContact OD1-N 2.96Å; N930-S932 PolarHBondContact OD1-OG 3.31Å
933	H	93.4	Very high	92	Very high	39 Å²	39	53 Å²	53	18%	0.181	29%	0.294	C	S	.	.			trans	-63.5	133.4	-179.1	-170.7	-75.8	0	0	0	110.2	Y929 N930 T935 I936 V937	Y929-H933 HydrophobicContact CD1-CB 4.07Å; Y929-H933 AromaticContact CD1-CD2 3.95Å; Y929-H933 AromaticContact CD1-CG 3.67Å; Y929-H933 AromaticContact CD1-ND1 3.78Å; Y929-H933 AromaticContact CE1-CE1 3.73Å; Y929-H933 AromaticContact CE1-CG 4Å; Y929-H933 AromaticContact CE1-ND1 3.61Å; N930-H933 WeakPolarHBondContact O-CB 3.35Å; N930-H933 PolarHBondContact O-N 3.13Å; N930-H933 VanDerWaalsContact O-N 3.12Å; N930-H933 PolarHBondContact OD1-N 2.8Å; H933-T935 VanDerWaalsContact C-N 3.32Å; H933-T935 PolarHBondContact CE1-OG1 2.8Å; H933-T935 PolarHBondContact ND1-N 3.41Å; H933-T935 PolarHBondContact ND1-OG1 2.85Å; H933-T935 PolarHBondContact O-N 3.42Å; H933-I936 HydrophobicContact CB-CB 4.34Å; H933-I936 HydrophobicContact CB-CG1 4.04Å; H933-I936 WeakPolarHBondContact O-CB 3.47Å; H933-I936 PolarHBondContact O-N 2.87Å; H933-V937 PolarHBondContact O-N 2.81Å; H933-V937 VanDerWaalsContact O-N 3.08Å
934	P	92.1	Very high	92.1	Very high	85 Å²	85	55.8 Å²	55.8	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-51.1	-46.7	-174.4	-29.8	35	0	0	0	113.9	I936 V937 M938	P934-I936 PolarHBondContact O-N 3.07Å; P934-V937 PolarHBondContact O-N 2.95Å; P934-M938 WeakPolarHBondContact O-CG 3.48Å; P934-M938 PolarHBondContact O-N 2.88Å
935	T	92.9	Very high	92.2	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-38.6	176.8	-45.6	0	0	0	0	113.6	H933 M938 F939 L999 P1000 Y1002	H933-T935 VanDerWaalsContact C-N 3.32Å; H933-T935 PolarHBondContact CE1-OG1 2.8Å; H933-T935 PolarHBondContact ND1-N 3.41Å; H933-T935 PolarHBondContact ND1-OG1 2.85Å; H933-T935 PolarHBondContact O-N 3.42Å; T935-M938 PolarHBondContact O-N 3.05Å; T935-F939 WeakPolarHBondContact O-CB 3.3Å; T935-F939 PolarHBondContact O-N 3.48Å; T935-L999 HydrophobicContact CG2-CD2 3.92Å; T935-L999 HydrophobicContact CG2-CG 4.22Å; T935-P1000 WeakPolarHBondContact CG2-O 3.14Å; T935-Y1002 HydrophobicContact CG2-CD2 3.86Å; T935-Y1002 HydrophobicContact CG2-CG 4.49Å; T935-Y1002 PolarHBondContact OG1-N 2.81Å; T935-Y1002 PolarHBondContact OG1-O 2.85Å
936	I	94.3	Very high	92.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-42.7	178.5	-64.9	-61.7	0	0	0	110.6	Y925 Y929 H933 P934 M938 F939 W940 F976 L999	Y925-I936 HydrophobicContact CD1-CD1 4.23Å; Y925-I936 HydrophobicContact CD1-CG1 4.32Å; Y925-I936 HydrophobicContact CE1-CD1 4.08Å; Y925-I936 HydrophobicContact CE1-CG1 4.12Å; Y925-I936 HydrophobicContact CE1-CG2 3.66Å; Y929-I936 HydrophobicContact CD1-CD1 3.93Å; Y929-I936 HydrophobicContact CD1-CG1 3.68Å; Y929-I936 HydrophobicContact CD2-CD1 4.38Å; Y929-I936 HydrophobicContact CE1-CD1 4.25Å; Y929-I936 HydrophobicContact CE1-CG1 4.19Å; Y929-I936 HydrophobicContact CG-CD1 4.03Å; Y929-I936 HydrophobicContact CG-CG1 4.12Å; H933-I936 HydrophobicContact CB-CB 4.34Å; H933-I936 HydrophobicContact CB-CG1 4.04Å; H933-I936 WeakPolarHBondContact O-CB 3.47Å; H933-I936 PolarHBondContact O-N 2.87Å; P934-I936 PolarHBondContact O-N 3.07Å; I936-M938 VanDerWaalsContact C-N 3.32Å; I936-M938 PolarHBondContact O-N 3.27Å; I936-F939 PolarHBondContact O-N 2.87Å; I936-W940 VanDerWaalsContact O-CD1 3.3Å; I936-W940 PolarHBondContact O-N 2.8Å; I936-F976 HydrophobicContact CD1-CB 3.77Å; I936-F976 HydrophobicContact CD1-CD1 3.52Å; I936-F976 HydrophobicContact CD1-CD2 3.89Å; I936-F976 HydrophobicContact CD1-CE1 4Å; I936-F976 HydrophobicContact CD1-CE2 4.33Å; I936-F976 HydrophobicContact CD1-CG 3.45Å; I936-F976 VanDerWaalsContact CD1-CG 3.45Å; I936-F976 HydrophobicContact CD1-CZ 4.38Å; I936-L999 HydrophobicContact CD1-CD2 3.99Å
937	V	94.2	Very high	92.4	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.3	177.3	0	0	0	0	110.9	H933 P934 K941	H933-V937 PolarHBondContact O-N 2.81Å; H933-V937 VanDerWaalsContact O-N 3.08Å; P934-V937 PolarHBondContact O-N 2.95Å; V937-K941 HydrophobicContact CG1-CD 4.44Å; V937-K941 WeakPolarHBondContact O-CG 3.48Å; V937-K941 PolarHBondContact O-N 3.08Å
938	M	95.1	Very high	92.7	Very high	32 Å²	32	51 Å²	51	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-44	174.5	-70.8	-173.8	-63.7	0	0	111.5	P934 T935 I936 W940 K941 A942 Y1002 T1004 M1005 V1008	P934-M938 WeakPolarHBondContact O-CG 3.48Å; P934-M938 PolarHBondContact O-N 2.88Å; T935-M938 PolarHBondContact O-N 3.05Å; I936-M938 VanDerWaalsContact C-N 3.32Å; I936-M938 PolarHBondContact O-N 3.27Å; M938-W940 PolarHBondContact O-N 2.84Å; M938-K941 PolarHBondContact O-N 2.91Å; M938-A942 WeakPolarHBondContact O-CB 3.5Å; M938-A942 PolarHBondContact O-N 2.84Å; M938-Y1002 VanDerWaalsContact CE-O 3.31Å; M938-Y1002 WeakPolarHBondContact CE-O 3.39Å; M938-T1004 VanDerWaalsContact SD-C 3.5Å; M938-M1005 HydrophobicContact CB-SD 3.8Å; M938-M1005 HydrophobicContact CG-SD 3.97Å; M938-M1005 WeakPolarHBondContact O-CE 3.22Å; M938-M1005 HydrophobicContact SD-CB 4.4Å; M938-V1008 HydrophobicContact CB-CG2 4.09Å; M938-V1008 HydrophobicContact CE-CG2 4.46Å
939	F	95.2	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-52.1	176.3	173.2	-88.1	0	0	0	112.1	T935 I936 K941 A942 F943 F954 I974 F976 L997 L999 V1008 L1012	T935-F939 WeakPolarHBondContact O-CB 3.3Å; T935-F939 PolarHBondContact O-N 3.48Å; I936-F939 PolarHBondContact O-N 2.87Å; F939-K941 VanDerWaalsContact C-N 3.32Å; F939-K941 PolarHBondContact O-N 2.87Å; F939-A942 WeakPolarHBondContact O-CB 3.5Å; F939-A942 PolarHBondContact O-N 2.72Å; F939-A942 VanDerWaalsContact O-N 3.1Å; F939-F943 HydrophobicContact CE1-CB 4.23Å; F939-F943 HydrophobicContact CZ-CB 4.46Å; F939-F943 HydrophobicContact CZ-CD2 4.45Å; F939-F943 WeakPolarHBondContact O-CB 3.23Å; F939-F943 PolarHBondContact O-N 2.8Å; F939-F954 HydrophobicContact CE2-CE2 4.13Å; F939-F954 HydrophobicContact CE2-CZ 4.05Å; F939-F954 HydrophobicContact CZ-CE1 4.18Å; F939-F954 HydrophobicContact CZ-CE2 4.09Å; F939-F954 AromaticContact CZ-CZ 3.57Å; F939-F954 HydrophobicContact CZ-CZ 3.57Å; F939-I974 HydrophobicContact CE1-CD1 4.48Å; F939-I974 HydrophobicContact CZ-CD1 4.3Å; F939-F976 AromaticContact CD1-CE1 3.62Å; F939-F976 HydrophobicContact CD1-CE1 3.62Å; F939-F976 AromaticContact CD1-CZ 3.52Å; F939-F976 HydrophobicContact CD1-CZ 3.52Å; F939-F976 HydrophobicContact CD2-CE1 4.34Å; F939-F976 AromaticContact CE1-CE1 3.72Å; F939-F976 HydrophobicContact CE1-CE1 3.72Å; F939-F976 AromaticContact CE1-CZ 3.5Å; F939-F976 HydrophobicContact CE1-CZ 3.5Å; F939-F976 HydrophobicContact CE2-CE1 4.4Å; F939-F976 AromaticContact CG-CE1 3.97Å; F939-F976 HydrophobicContact CG-CE1 3.97Å; F939-F976 HydrophobicContact CG-CZ 4.32Å; F939-F976 HydrophobicContact CZ-CE1 4.11Å; F939-F976 HydrophobicContact CZ-CZ 4.26Å; F939-L997 HydrophobicContact CD2-CD2 4.28Å; F939-L997 HydrophobicContact CE2-CD2 3.64Å; F939-L997 HydrophobicContact CZ-CD2 3.97Å; F939-L999 HydrophobicContact CB-CD2 4.2Å; F939-L999 HydrophobicContact CD2-CD1 4.2Å; F939-L999 HydrophobicContact CD2-CD2 4.38Å; F939-L999 HydrophobicContact CG-CD2 4.39Å; F939-V1008 HydrophobicContact CB-CG1 4.3Å; F939-L1012 HydrophobicContact CE2-CD1 3.93Å
940	W	95.6	Very high	92.9	Very high	9 Å²	9	55.5 Å²	55.5	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-35.8	-178.5	-75.2	118.8	0	0	0	112.6	F919 E920 A923 I936 M938 F943 H944 I974 F976	F919-W940 AromaticContact CD1-CH2 3.81Å; F919-W940 HydrophobicContact CD1-CH2 3.81Å; F919-W940 HydrophobicContact CD1-CZ3 4.02Å; F919-W940 AromaticContact CE1-CH2 3.88Å; F919-W940 HydrophobicContact CE1-CH2 3.88Å; F919-W940 HydrophobicContact CE1-CZ3 4.21Å; E920-W940 HydrophobicContact CB-CD2 4.18Å; E920-W940 HydrophobicContact CB-CE3 3.99Å; E920-W940 HydrophobicContact CB-CH2 3.89Å; E920-W940 HydrophobicContact CB-CZ2 4.06Å; E920-W940 HydrophobicContact CB-CZ3 3.85Å; E920-W940 HydrophobicContact CG-CD2 3.68Å; E920-W940 HydrophobicContact CG-CE3 3.98Å; E920-W940 HydrophobicContact CG-CG 4.11Å; E920-W940 HydrophobicContact CG-CH2 4.33Å; E920-W940 HydrophobicContact CG-CZ2 4.05Å; E920-W940 HydrophobicContact CG-CZ3 4.3Å; A923-W940 HydrophobicContact CB-CZ2 3.94Å; I936-W940 VanDerWaalsContact O-CD1 3.3Å; I936-W940 PolarHBondContact O-N 2.8Å; M938-W940 PolarHBondContact O-N 2.84Å; W940-F943 HydrophobicContact CE3-CB 4.3Å; W940-F943 AromaticContact CE3-CD1 3.86Å; W940-F943 HydrophobicContact CE3-CD1 3.86Å; W940-F943 HydrophobicContact CE3-CG 4.26Å; W940-F943 AromaticContact CZ3-CD1 3.74Å; W940-F943 HydrophobicContact CZ3-CD1 3.74Å; W940-F943 HydrophobicContact CZ3-CE1 4.09Å; W940-F943 HydrophobicContact CZ3-CG 4.25Å; W940-F943 PolarHBondContact O-N 3.25Å; W940-H944 WeakPolarHBondContact O-CB 3.42Å; W940-H944 PolarHBondContact O-CD2 2.73Å; W940-H944 PolarHBondContact O-N 3.07Å; W940-I974 HydrophobicContact CH2-CG2 3.75Å; W940-I974 HydrophobicContact CZ2-CG2 3.62Å; W940-F976 AromaticContact CE2-CE2 4Å; W940-F976 AromaticContact CE2-CZ 3.87Å; W940-F976 AromaticContact CZ2-CE2 3.76Å; W940-F976 HydrophobicContact CZ2-CE2 3.76Å; W940-F976 AromaticContact CZ2-CZ 3.76Å; W940-F976 HydrophobicContact CZ2-CZ 3.76Å; W940-F976 AromaticContact NE1-CE2 3.83Å; W940-F976 AromaticContact NE1-CZ 3.89Å
941	K	94.3	Very high	93	Very high	128 Å²	128	53 Å²	53	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-42.8	171.3	-75.9	177.4	-178.9	179.7	0	111.9	V937 M938 F939 K945 M1005	V937-K941 HydrophobicContact CG1-CD 4.44Å; V937-K941 WeakPolarHBondContact O-CG 3.48Å; V937-K941 PolarHBondContact O-N 3.08Å; M938-K941 PolarHBondContact O-N 2.91Å; F939-K941 VanDerWaalsContact C-N 3.32Å; F939-K941 PolarHBondContact O-N 2.87Å; K941-K945 WeakPolarHBondContact O-CG 3.47Å; K941-K945 PolarHBondContact O-N 3.31Å; K941-M1005 HydrophobicContact CB-CE 3.69Å; K941-M1005 HydrophobicContact CB-SD 4.34Å
942	A	93.9	Very high	93	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-47.5	178.9	0	0	0	0	0	110.3	M938 F939 H944 K945 L946 M1005 V1008 E1009 L1012	M938-A942 WeakPolarHBondContact O-CB 3.5Å; M938-A942 PolarHBondContact O-N 2.84Å; F939-A942 WeakPolarHBondContact O-CB 3.5Å; F939-A942 PolarHBondContact O-N 2.72Å; F939-A942 VanDerWaalsContact O-N 3.1Å; A942-H944 VanDerWaalsContact C-N 3.35Å; A942-H944 PolarHBondContact O-N 3.25Å; A942-K945 WeakPolarHBondContact O-CB 3.3Å; A942-K945 PolarHBondContact O-N 3.12Å; A942-K945 VanDerWaalsContact O-N 3.16Å; A942-L946 PolarHBondContact O-N 2.92Å; A942-M1005 HydrophobicContact CB-CE 3.7Å; A942-V1008 HydrophobicContact CB-CG1 4.12Å; A942-E1009 HydrophobicContact CB-CG 3.75Å; A942-L1012 HydrophobicContact CB-CD2 3.89Å
943	F	94.4	Very high	92.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-43.9	177.9	-178.7	-96.6	0	0	0	112.4	W916 F919 F939 W940 K945 L946 K951 F954	W916-F943 HydrophobicContact CD2-CE1 4.27Å; W916-F943 HydrophobicContact CD2-CZ 4.25Å; W916-F943 AromaticContact CE3-CE1 3.81Å; W916-F943 HydrophobicContact CE3-CE1 3.81Å; W916-F943 AromaticContact CE3-CZ 3.54Å; W916-F943 HydrophobicContact CE3-CZ 3.54Å; W916-F943 HydrophobicContact CH2-CZ 4.46Å; W916-F943 HydrophobicContact CZ3-CE1 4.4Å; W916-F943 AromaticContact CZ3-CZ 3.67Å; W916-F943 HydrophobicContact CZ3-CZ 3.67Å; F919-F943 HydrophobicContact CD1-CE1 4.5Å; F919-F943 HydrophobicContact CD1-CZ 4.49Å; F919-F943 HydrophobicContact CE1-CZ 4.33Å; F939-F943 HydrophobicContact CE1-CB 4.23Å; F939-F943 HydrophobicContact CZ-CB 4.46Å; F939-F943 HydrophobicContact CZ-CD2 4.45Å; F939-F943 WeakPolarHBondContact O-CB 3.23Å; F939-F943 PolarHBondContact O-N 2.8Å; W940-F943 HydrophobicContact CE3-CB 4.3Å; W940-F943 AromaticContact CE3-CD1 3.86Å; W940-F943 HydrophobicContact CE3-CD1 3.86Å; W940-F943 HydrophobicContact CE3-CG 4.26Å; W940-F943 AromaticContact CZ3-CD1 3.74Å; W940-F943 HydrophobicContact CZ3-CD1 3.74Å; W940-F943 HydrophobicContact CZ3-CE1 4.09Å; W940-F943 HydrophobicContact CZ3-CG 4.25Å; W940-F943 PolarHBondContact O-N 3.25Å; F943-K945 VanDerWaalsContact C-N 3.28Å; F943-K945 PolarHBondContact O-N 3.45Å; F943-L946 HydrophobicContact CD2-CD1 3.95Å; F943-L946 HydrophobicContact CE2-CD1 4.41Å; F943-L946 VanDerWaalsContact O-CB 3.27Å; F943-L946 WeakPolarHBondContact O-CB 3.37Å; F943-L946 WeakPolarHBondContact O-CG 3.29Å; F943-L946 PolarHBondContact O-N 3.18Å; F943-K951 HydrophobicContact CE1-CD 4.24Å; F943-K951 HydrophobicContact CE1-CG 4.4Å; F943-K951 HydrophobicContact CE2-CB 4.48Å; F943-K951 HydrophobicContact CE2-CG 4.09Å; F943-K951 HydrophobicContact CZ-CB 4.28Å; F943-K951 HydrophobicContact CZ-CD 4.15Å; F943-K951 HydrophobicContact CZ-CG 3.89Å; F943-K951 WeakPolarHBondContact O-CE 3.47Å; F943-F954 HydrophobicContact CD2-CD1 4Å; F943-F954 HydrophobicContact CD2-CE1 4.27Å; F943-F954 HydrophobicContact CD2-CG 4.34Å; F943-F954 HydrophobicContact CE2-CB 4.33Å; F943-F954 AromaticContact CE2-CD1 3.44Å; F943-F954 HydrophobicContact CE2-CD1 3.44Å; F943-F954 VanDerWaalsContact CE2-CD1 3.44Å; F943-F954 AromaticContact CE2-CE1 3.97Å; F943-F954 HydrophobicContact CE2-CE1 3.97Å; F943-F954 AromaticContact CE2-CG 3.99Å; F943-F954 HydrophobicContact CE2-CG 3.99Å; F943-F954 HydrophobicContact CZ-CD1 4.43Å
944	H	94.3	Very high	92.6	Very high	73 Å²	73	48.8 Å²	48.8	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-23.5	-179.7	-77.1	-52.5	0	0	0	114	E920 W940 A942 L946 K951	E920-H944 IonicContact OE2-CD2 3.01Å; E920-H944 IonicContact OE2-CE1 3.82Å; E920-H944 IonicContact OE2-NE2 2.96Å; E920-H944 PolarHBondContact OE2-NE2 2.9Å; W940-H944 WeakPolarHBondContact O-CB 3.42Å; W940-H944 PolarHBondContact O-CD2 2.73Å; W940-H944 PolarHBondContact O-N 3.07Å; A942-H944 VanDerWaalsContact C-N 3.35Å; A942-H944 PolarHBondContact O-N 3.25Å; H944-L946 VanDerWaalsContact C-N 3.3Å; H944-K951 PolarHBondContact O-NZ 3.49Å
945	K	93.9	Very high	92.5	Very high	143 Å²	143	44.8 Å²	44.8	62%	0.622	22%	0.216	S	C	*	.	H	α-helix	trans	-71.8	-21.3	172.4	-71.9	175.2	-178.8	-178.2	0	113.4	K941 A942 F943 E1009	K941-K945 WeakPolarHBondContact O-CG 3.47Å; K941-K945 PolarHBondContact O-N 3.31Å; A942-K945 WeakPolarHBondContact O-CB 3.3Å; A942-K945 PolarHBondContact O-N 3.12Å; A942-K945 VanDerWaalsContact O-N 3.16Å; F943-K945 VanDerWaalsContact C-N 3.28Å; F943-K945 PolarHBondContact O-N 3.45Å; K945-E1009 IonicContact NZ-OE1 3.48Å; K945-E1009 PolarHBondContact NZ-OE1 3.09Å
946	L	93.3	Very high	92.2	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	22%	0.216	C	C	.	.	S	Bend	trans	-62.6	146.3	-179.2	-62.2	178	0	0	0	112.1	A942 F943 H944 E950 K951 L1012 I1016	A942-L946 PolarHBondContact O-N 2.92Å; F943-L946 HydrophobicContact CD2-CD1 3.95Å; F943-L946 HydrophobicContact CE2-CD1 4.41Å; F943-L946 VanDerWaalsContact O-CB 3.27Å; F943-L946 WeakPolarHBondContact O-CB 3.37Å; F943-L946 WeakPolarHBondContact O-CG 3.29Å; F943-L946 PolarHBondContact O-N 3.18Å; H944-L946 VanDerWaalsContact C-N 3.3Å; L946-E950 HydrophobicContact CB-CB 3.88Å; L946-E950 HydrophobicContact CD1-CB 4.39Å; L946-E950 HydrophobicContact CD2-CB 4.07Å; L946-E950 HydrophobicContact CG-CB 4.33Å; L946-K951 HydrophobicContact CB-CG 3.78Å; L946-K951 HydrophobicContact CD1-CG 4.33Å; L946-K951 VanDerWaalsContact O-CE 3.25Å; L946-K951 WeakPolarHBondContact O-CE 3.22Å; L946-L1012 HydrophobicContact CD1-CD2 3.94Å; L946-L1012 HydrophobicContact CD1-CG 4.39Å; L946-L1012 HydrophobicContact CD2-CD2 4.41Å; L946-L1012 HydrophobicContact CG-CD2 4.35Å; L946-I1016 HydrophobicContact CD1-CD1 3.58Å; L946-I1016 HydrophobicContact CD2-CD1 3.91Å; L946-I1016 HydrophobicContact CG-CD1 4.4Å
947	T	93.4	Very high	91.8	Very high	81 Å²	81	46 Å²	46	50%	0.497	22%	0.221	S	C	.	.			trans	-65.2	164.3	167.6	63.3	0	0	0	0	111.3	E949 E950 K951	T947-E949 VanDerWaalsContact C-N 3.28Å; T947-E949 PolarHBondContact O-N 3.32Å; T947-E950 WeakPolarHBondContact CB-OE2 3.43Å; T947-E950 WeakPolarHBondContact CG2-OE2 3.13Å; T947-E950 PolarHBondContact N-OE2 3.08Å; T947-E950 PolarHBondContact O-N 3.44Å; T947-E950 WeakPolarHBondContact OG1-CB 3.5Å; T947-E950 VanDerWaalsContact OG1-CD 3.31Å; T947-E950 VanDerWaalsContact OG1-CG 3.27Å; T947-E950 WeakPolarHBondContact OG1-CG 3.46Å; T947-E950 PolarHBondContact OG1-N 2.74Å; T947-E950 PolarHBondContact OG1-OE2 3.01Å; T947-K951 WeakPolarHBondContact O-CG 3.39Å; T947-K951 PolarHBondContact O-N 3.25Å
948	L	89.4	Confident	91.4	Very high	89 Å²	89	43.3 Å²	43.3	47%	0.466	21%	0.205	S	C	.	.	H	α-helix	trans	-57.9	-41.5	177.5	-179.7	62	0	0	0	112	Y914 W916 K951 K952	Y914-L948 HydrophobicContact CD2-CD1 4.04Å; Y914-L948 HydrophobicContact CE2-CD1 4.21Å; W916-L948 HydrophobicContact CZ2-CD1 4.44Å; L948-K951 PolarHBondContact O-N 3.37Å; L948-K952 WeakPolarHBondContact O-CG 3.22Å; L948-K952 PolarHBondContact O-N 3.31Å
949	E	88.6	Confident	90.7	Very high	106 Å²	106	42.4 Å²	42.4	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-68.2	-37.5	179.8	-66.3	-53.1	128.6	0	0	112.5	T947 K952 K953	T947-E949 VanDerWaalsContact C-N 3.28Å; T947-E949 PolarHBondContact O-N 3.32Å; E949-K952 PolarHBondContact O-N 3.17Å; E949-K952 IonicContact OE1-NZ 3.51Å; E949-K952 PolarHBondContact OE1-NZ 2.8Å; E949-K952 IonicContact OE2-NZ 2.78Å; E949-K953 WeakPolarHBondContact O-CG 3.44Å; E949-K953 PolarHBondContact O-N 3.39Å
950	E	90.6	Very high	89.9	Confident	47 Å²	47	42.5 Å²	42.5	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-38.6	172.5	-72.8	167.5	134.2	0	0	112	L946 T947 K953 F954 Q1013 I1016	L946-E950 HydrophobicContact CB-CB 3.88Å; L946-E950 HydrophobicContact CD1-CB 4.39Å; L946-E950 HydrophobicContact CD2-CB 4.07Å; L946-E950 HydrophobicContact CG-CB 4.33Å; T947-E950 WeakPolarHBondContact CB-OE2 3.43Å; T947-E950 WeakPolarHBondContact CG2-OE2 3.13Å; T947-E950 PolarHBondContact N-OE2 3.08Å; T947-E950 PolarHBondContact O-N 3.44Å; T947-E950 WeakPolarHBondContact OG1-CB 3.5Å; T947-E950 VanDerWaalsContact OG1-CD 3.31Å; T947-E950 VanDerWaalsContact OG1-CG 3.27Å; T947-E950 WeakPolarHBondContact OG1-CG 3.46Å; T947-E950 PolarHBondContact OG1-N 2.74Å; T947-E950 PolarHBondContact OG1-OE2 3.01Å; E950-K953 PolarHBondContact O-N 2.97Å; E950-F954 PolarHBondContact O-N 3.38Å; E950-Q1013 PolarHBondContact OE1-NE2 3.34Å; E950-I1016 HydrophobicContact CB-CD1 4.37Å
951	K	91.8	Very high	89.3	Confident	24 Å²	24	42.2 Å²	42.2	10%	0.104	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-39	174.7	-70.4	178.6	-179.7	169.8	0	112.3	W916 F943 H944 L946 T947 L948 F954 L955	W916-K951 HydrophobicContact CD2-CD 4.15Å; W916-K951 HydrophobicContact CG-CD 4.43Å; W916-K951 HydrophobicContact CH2-CB 3.78Å; W916-K951 HydrophobicContact CZ2-CB 3.59Å; W916-K951 HydrophobicContact CZ2-CD 4.19Å; W916-K951 HydrophobicContact CZ2-CG 4.47Å; W916-K951 HydrophobicContact CZ3-CB 4.45Å; F943-K951 HydrophobicContact CE1-CD 4.24Å; F943-K951 HydrophobicContact CE1-CG 4.4Å; F943-K951 HydrophobicContact CE2-CB 4.48Å; F943-K951 HydrophobicContact CE2-CG 4.09Å; F943-K951 HydrophobicContact CZ-CB 4.28Å; F943-K951 HydrophobicContact CZ-CD 4.15Å; F943-K951 HydrophobicContact CZ-CG 3.89Å; F943-K951 WeakPolarHBondContact O-CE 3.47Å; H944-K951 PolarHBondContact O-NZ 3.49Å; L946-K951 HydrophobicContact CB-CG 3.78Å; L946-K951 HydrophobicContact CD1-CG 4.33Å; L946-K951 VanDerWaalsContact O-CE 3.25Å; L946-K951 WeakPolarHBondContact O-CE 3.22Å; T947-K951 WeakPolarHBondContact O-CG 3.39Å; T947-K951 PolarHBondContact O-N 3.25Å; L948-K951 PolarHBondContact O-N 3.37Å; K951-F954 PolarHBondContact O-N 3.03Å; K951-L955 PolarHBondContact O-N 2.88Å
952	K	89.3	Confident	88.9	Confident	35 Å²	35	37 Å²	37	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-48.7	172.6	-73.7	177.2	-178.3	169.4	0	111.2	Y914 L948 E949 F954 L955 V956 D962	Y914-K952 HydrophobicContact CE2-CG 3.94Å; L948-K952 WeakPolarHBondContact O-CG 3.22Å; L948-K952 PolarHBondContact O-N 3.31Å; E949-K952 PolarHBondContact O-N 3.17Å; E949-K952 IonicContact OE1-NZ 3.51Å; E949-K952 PolarHBondContact OE1-NZ 2.8Å; E949-K952 IonicContact OE2-NZ 2.78Å; K952-F954 VanDerWaalsContact C-N 3.29Å; K952-F954 PolarHBondContact O-N 3.27Å; K952-L955 WeakPolarHBondContact O-CA 3.46Å; K952-L955 WeakPolarHBondContact O-CB 3.32Å; K952-L955 PolarHBondContact O-N 2.86Å; K952-V956 WeakPolarHBondContact O-CG2 3.21Å; K952-V956 PolarHBondContact O-N 2.89Å; K952-D962 HydrophobicContact CB-CB 3.99Å; K952-D962 HydrophobicContact CG-CB 4.34Å
953	K	88.9	Confident	88.5	Confident	91 Å²	91	38.9 Å²	38.9	40%	0.396	19%	0.185	S	C	.	.	H	α-helix	trans	-59.4	-38.9	176.2	-73.6	179.2	-178.7	-177.6	0	112.6	E949 E950 L955 V956 F957 I1016 N1019	E949-K953 WeakPolarHBondContact O-CG 3.44Å; E949-K953 PolarHBondContact O-N 3.39Å; E950-K953 PolarHBondContact O-N 2.97Å; K953-L955 VanDerWaalsContact C-N 3.33Å; K953-V956 WeakPolarHBondContact O-CB 3.5Å; K953-V956 PolarHBondContact O-N 3.08Å; K953-F957 PolarHBondContact O-N 2.88Å; K953-I1016 HydrophobicContact CB-CG2 3.71Å; K953-I1016 HydrophobicContact CD-CG2 3.84Å; K953-I1016 HydrophobicContact CG-CG2 4.47Å; K953-N1019 WeakPolarHBondContact CB-ND2 3.43Å
954	F	90.2	Very high	87.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-38.7	172.2	178.8	-95.9	0	0	0	112	F939 F943 E950 K951 K952 V956 F957 L958 I974 L997 L1012 I1016	F939-F954 HydrophobicContact CE2-CE2 4.13Å; F939-F954 HydrophobicContact CE2-CZ 4.05Å; F939-F954 HydrophobicContact CZ-CE1 4.18Å; F939-F954 HydrophobicContact CZ-CE2 4.09Å; F939-F954 AromaticContact CZ-CZ 3.57Å; F939-F954 HydrophobicContact CZ-CZ 3.57Å; F943-F954 HydrophobicContact CD2-CD1 4Å; F943-F954 HydrophobicContact CD2-CE1 4.27Å; F943-F954 HydrophobicContact CD2-CG 4.34Å; F943-F954 HydrophobicContact CE2-CB 4.33Å; F943-F954 AromaticContact CE2-CD1 3.44Å; F943-F954 HydrophobicContact CE2-CD1 3.44Å; F943-F954 VanDerWaalsContact CE2-CD1 3.44Å; F943-F954 AromaticContact CE2-CE1 3.97Å; F943-F954 HydrophobicContact CE2-CE1 3.97Å; F943-F954 AromaticContact CE2-CG 3.99Å; F943-F954 HydrophobicContact CE2-CG 3.99Å; F943-F954 HydrophobicContact CZ-CD1 4.43Å; E950-F954 PolarHBondContact O-N 3.38Å; K951-F954 PolarHBondContact O-N 3.03Å; K952-F954 VanDerWaalsContact C-N 3.29Å; K952-F954 PolarHBondContact O-N 3.27Å; F954-V956 VanDerWaalsContact C-N 3.34Å; F954-F957 HydrophobicContact CD2-CD1 4.38Å; F954-F957 HydrophobicContact CE2-CD1 4.25Å; F954-F957 WeakPolarHBondContact O-CB 3.48Å; F954-F957 PolarHBondContact O-N 3.16Å; F954-L958 HydrophobicContact CE1-CB 4.31Å; F954-L958 HydrophobicContact CE1-CD2 4.06Å; F954-L958 WeakPolarHBondContact O-CB 3.49Å; F954-L958 PolarHBondContact O-N 2.88Å; F954-I974 HydrophobicContact CE1-CD1 4.24Å; F954-I974 HydrophobicContact CZ-CD1 4.06Å; F954-L997 HydrophobicContact CE2-CD1 4.48Å; F954-L997 HydrophobicContact CZ-CD2 4.27Å; F954-L1012 HydrophobicContact CD2-CD1 3.55Å; F954-L1012 HydrophobicContact CE2-CD1 3.63Å; F954-I1016 HydrophobicContact CB-CD1 4.4Å; F954-I1016 HydrophobicContact CB-CG1 3.99Å; F954-I1016 HydrophobicContact CD2-CG1 4.47Å
955	L	88.3	Confident	86.9	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-37.6	177	-167	61	0	0	0	112	Y914 W916 K951 K952 K953 L958 T959 T961 M972	Y914-L955 HydrophobicContact CD1-CD2 3.97Å; Y914-L955 HydrophobicContact CE1-CD2 3.53Å; W916-L955 HydrophobicContact CH2-CD2 4.4Å; K951-L955 PolarHBondContact O-N 2.88Å; K952-L955 WeakPolarHBondContact O-CA 3.46Å; K952-L955 WeakPolarHBondContact O-CB 3.32Å; K952-L955 PolarHBondContact O-N 2.86Å; K953-L955 VanDerWaalsContact C-N 3.33Å; L955-L958 PolarHBondContact O-N 3.03Å; L955-T959 HydrophobicContact CD1-CG2 3.83Å; L955-T959 WeakPolarHBondContact O-CB 3.48Å; L955-T959 PolarHBondContact O-N 3.24Å; L955-T959 PolarHBondContact O-OG1 3.33Å; L955-T961 CarbonylContact C-O 3.58Å; L955-T961 VanDerWaalsContact C-O 3.28Å; L955-M972 HydrophobicContact CD1-CE 3.39Å; L955-M972 HydrophobicContact CD2-CE 4.11Å; L955-M972 HydrophobicContact CG-CE 4.39Å
956	V	86.3	Confident	85.8	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-50	169.6	-179.8	0	0	0	0	110	Y730 K952 K953 F954 L958 T959 G960 T961 D962	Y730-V956 HydrophobicContact CD1-CG1 4.3Å; Y730-V956 HydrophobicContact CE1-CG1 3.96Å; Y730-V956 HydrophobicContact CE1-CG2 4.25Å; Y730-V956 HydrophobicContact CE2-CG2 4.21Å; K952-V956 WeakPolarHBondContact O-CG2 3.21Å; K952-V956 PolarHBondContact O-N 2.89Å; K953-V956 WeakPolarHBondContact O-CB 3.5Å; K953-V956 PolarHBondContact O-N 3.08Å; F954-V956 VanDerWaalsContact C-N 3.34Å; V956-L958 VanDerWaalsContact C-N 3.28Å; V956-L958 PolarHBondContact O-N 3.17Å; V956-T959 PolarHBondContact O-N 2.79Å; V956-G960 VanDerWaalsContact O-CA 3.24Å; V956-G960 WeakPolarHBondContact O-CA 3.41Å; V956-G960 PolarHBondContact O-N 2.79Å; V956-T961 PolarHBondContact N-O 2.94Å; V956-D962 HydrophobicContact CG2-CB 3.8Å
957	F	86.3	Confident	84.5	Confident	25 Å²	25	34.5 Å²	34.5	11%	0.11	17%	0.168	C	C	.	.	H	α-helix	trans	-57.4	-39.7	176.8	173.7	-102.7	0	0	0	112.5	K953 F954 M988 A990 T992 L997 A1015 N1019	K953-F957 PolarHBondContact O-N 2.88Å; F954-F957 HydrophobicContact CD2-CD1 4.38Å; F954-F957 HydrophobicContact CE2-CD1 4.25Å; F954-F957 WeakPolarHBondContact O-CB 3.48Å; F954-F957 PolarHBondContact O-N 3.16Å; F957-M988 HydrophobicContact CZ-CB 4.49Å; F957-A990 HydrophobicContact CD1-CB 4.09Å; F957-A990 HydrophobicContact CE1-CB 3.78Å; F957-A990 HydrophobicContact CE2-CB 4.46Å; F957-A990 HydrophobicContact CZ-CB 3.99Å; F957-A990 WeakPolarHBondContact O-CB 3.21Å; F957-T992 WeakPolarHBondContact O-CG2 3.45Å; F957-L997 HydrophobicContact CD1-CD1 4.47Å; F957-L997 HydrophobicContact CE1-CD1 3.69Å; F957-A1015 HydrophobicContact CD1-CB 4.12Å; F957-A1015 HydrophobicContact CD2-CB 4.42Å; F957-A1015 HydrophobicContact CE1-CB 3.83Å; F957-A1015 HydrophobicContact CE2-CB 4.16Å; F957-A1015 HydrophobicContact CG-CB 4.4Å; F957-A1015 HydrophobicContact CZ-CB 3.84Å; F957-N1019 HydrophobicContact CB-CB 3.89Å
958	L	85.9	Confident	83.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-82.1	-30.2	-176.8	-178.2	66.3	0	0	0	114.1	F919 F954 L955 V956 I974 T992 L997	F919-L958 HydrophobicContact CE2-CD2 4.25Å; F919-L958 HydrophobicContact CZ-CD2 3.62Å; F954-L958 HydrophobicContact CE1-CB 4.31Å; F954-L958 HydrophobicContact CE1-CD2 4.06Å; F954-L958 WeakPolarHBondContact O-CB 3.49Å; F954-L958 PolarHBondContact O-N 2.88Å; L955-L958 PolarHBondContact O-N 3.03Å; V956-L958 VanDerWaalsContact C-N 3.28Å; V956-L958 PolarHBondContact O-N 3.17Å; L958-I974 HydrophobicContact CD1-CD1 4.18Å; L958-I974 HydrophobicContact CD1-CG1 4.1Å; L958-I974 HydrophobicContact CD2-CB 4.03Å; L958-I974 HydrophobicContact CD2-CD1 3.79Å; L958-I974 HydrophobicContact CD2-CG1 3.86Å; L958-T992 VanDerWaalsContact O-CA 3.24Å; L958-T992 WeakPolarHBondContact O-CA 3.31Å; L958-L997 HydrophobicContact CD1-CB 4.17Å
959	T	81	Confident	82	Confident	13 Å²	13	31.1 Å²	31.1	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-132.4	-4.5	-166.3	72.9	0	0	0	0	114.8	R726 L955 V956 T961	R726-T959 WeakPolarHBondContact CD-O 3.28Å; L955-T959 HydrophobicContact CD1-CG2 3.83Å; L955-T959 WeakPolarHBondContact O-CB 3.48Å; L955-T959 PolarHBondContact O-N 3.24Å; L955-T959 PolarHBondContact O-OG1 3.33Å; V956-T959 PolarHBondContact O-N 2.79Å; T959-T961 VanDerWaalsContact C-N 3.28Å; T959-T961 PolarHBondContact OG1-O 3.23Å
960	G	78.9	Confident	80.8	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	16%	0.16	C	C	.	.	S	Bend	trans	80	1.9	-176.5	0	0	0	0	0	114.6	R726 E727 V956	R726-G960 CarbonylContact C-O 3.33Å; E727-G960 WeakPolarHBondContact CA-O 3.49Å; E727-G960 PolarHBondContact N-O 3.27Å; V956-G960 VanDerWaalsContact O-CA 3.24Å; V956-G960 WeakPolarHBondContact O-CA 3.41Å; V956-G960 PolarHBondContact O-N 2.79Å
961	T	82.6	Confident	79.7	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	18%	0.177	C	C	.	.			trans	-155.6	154.8	179.5	-177.4	0	0	0	0	109.8	L955 V956 T959 R963	L955-T961 CarbonylContact C-O 3.58Å; L955-T961 VanDerWaalsContact C-O 3.28Å; V956-T961 PolarHBondContact N-O 2.94Å; T959-T961 VanDerWaalsContact C-N 3.28Å; T959-T961 PolarHBondContact OG1-O 3.23Å; T961-R963 PolarHBondContact OG1-N 3.43Å; T961-R963 VanDerWaalsContact OG1-N 3.1Å
962	D	84.6	Confident	79.1	Confident	18 Å²	18	37.1 Å²	37.1	10%	0.096	18%	0.177	C	C	.	.	S	Bend	trans	-92.7	-1	168	63.8	-20.7	0	0	0	112.2	Y730 Y914 K952 V956	Y730-D962 WeakPolarHBondContact CE2-OD1 3.48Å; Y914-D962 WeakPolarHBondContact CE1-O 3.48Å; Y914-D962 PolarHBondContact OH-O 3.06Å; K952-D962 HydrophobicContact CB-CB 3.99Å; K952-D962 HydrophobicContact CG-CB 4.34Å; V956-D962 HydrophobicContact CG2-CB 3.8Å
963	R	85.6	Confident	78.9	Confident	43 Å²	43	39.3 Å²	39.3	16%	0.162	19%	0.186	C	C	.	.			trans	-104.8	142.7	-173.1	-59.5	-158.2	166.8	-109.6	2.3	113.5	V782 N784 V909 G910 T961	V782-R963 HydrophobicContact CG2-CB 3.79Å; N784-R963 PolarHBondContact OD1-NH2 3.4Å; V909-R963 WeakPolarHBondContact O-CD 3.4Å; G910-R963 PolarHBondContact O-NH1 3.16Å; T961-R963 PolarHBondContact OG1-N 3.43Å; T961-R963 VanDerWaalsContact OG1-N 3.1Å
964	L	80.2	Confident	79	Confident	15 Å²	15	35 Å²	35	8%	0.079	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-102.8	135.8	178.6	-63.1	178.2	0	0	0	111.4	G910 H911 Y914 L969 M972	G910-L964 CarbonylContact C-O 3.52Å; G910-L964 WeakPolarHBondContact CA-O 3.32Å; H911-L964 PolarHBondContact N-O 3.11Å; H911-L964 PolarHBondContact O-N 3.2Å; Y914-L964 HydrophobicContact CD1-CD1 3.78Å; Y914-L964 HydrophobicContact CD1-CG 4.16Å; Y914-L964 HydrophobicContact CE1-CD1 4.3Å; Y914-L964 HydrophobicContact CE1-CG 4.2Å; L964-L969 HydrophobicContact CD1-CD2 4.41Å; L964-M972 HydrophobicContact CD1-SD 4.01Å; L964-M972 HydrophobicContact CD2-CG 4.14Å; L964-M972 HydrophobicContact CD2-SD 3.96Å
965	Q	76.9	Confident	79	Confident	14 Å²	14	35.6 Å²	35.6	7%	0.065	17%	0.171	C	C	.	.			trans	-76.3	151.9	166.1	-72.5	174.7	27.9	0	0	110.4	C780 V782 K967 D968 L969	C780-Q965 PolarHBondContact O-NE2 3.27Å; V782-Q965 HydrophobicContact CG1-CG 3.52Å; V782-Q965 HydrophobicContact CG2-CG 4.28Å; Q965-K967 HydrophobicContact CB-CG 4.12Å; Q965-K967 PolarHBondContact O-N 3.06Å; Q965-K967 VanDerWaalsContact O-N 3.12Å; Q965-D968 WeakPolarHBondContact O-CA 3.49Å; Q965-D968 PolarHBondContact O-N 2.73Å; Q965-L969 PolarHBondContact O-N 2.96Å
966	T	70	Confident	79.2	Confident	28 Å²	28	35.5 Å²	35.5	17%	0.172	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-54	-36.1	179	-44.9	0	0	0	0	112.8	H637 L638 H911 D968 L969	H637-T966 PolarHBondContact NE2-OG1 2.84Å; L638-T966 HydrophobicContact CD2-CG2 4.3Å; H911-T966 PolarHBondContact NE2-OG1 2.73Å; T966-D968 VanDerWaalsContact C-N 3.25Å; T966-D968 PolarHBondContact O-N 2.94Å; T966-L969 HydrophobicContact CG2-CD1 4.22Å
967	K	65.7	Low	79.4	Confident	86 Å²	86	36.4 Å²	36.4	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-67.6	-22.2	176.3	73	-173.8	-169.8	-154	0	114.1	Q965	Q965-K967 HydrophobicContact CB-CG 4.12Å; Q965-K967 PolarHBondContact O-N 3.06Å; Q965-K967 VanDerWaalsContact O-N 3.12Å
968	D	65.4	Low	79.4	Confident	40 Å²	40	36.2 Å²	36.2	21%	0.214	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-99.7	-10.1	-171.2	-65.7	-33.7	0	0	0	113	Q965 T966 K970 N971 M972	Q965-D968 WeakPolarHBondContact O-CA 3.49Å; Q965-D968 PolarHBondContact O-N 2.73Å; T966-D968 VanDerWaalsContact C-N 3.25Å; T966-D968 PolarHBondContact O-N 2.94Å; D968-K970 PolarHBondContact O-N 3.02Å; D968-N971 PolarHBondContact O-N 2.89Å; D968-M972 PolarHBondContact O-N 3.47Å; D968-M972 VanDerWaalsContact O-N 3.08Å
969	L	64.8	Low	79.3	Confident	59 Å²	59	37.8 Å²	37.8	31%	0.309	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-34.7	-179.2	-80.4	160.7	0	0	0	113.9	L964 Q965 T966	L964-L969 HydrophobicContact CD1-CD2 4.41Å; Q965-L969 PolarHBondContact O-N 2.96Å; T966-L969 HydrophobicContact CG2-CD1 4.22Å
970	K	63.4	Low	79.1	Confident	175 Å²	175	47.1 Å²	47.1	76%	0.761	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.7	178.6	-65.7	-176.5	179.9	177.2	0	114.4	N922 D968	N922-K970 PolarHBondContact ND2-O 2.96Å; D968-K970 PolarHBondContact O-N 3.02Å
971	N	68.7	Low	79.1	Confident	110 Å²	110	52 Å²	52	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	2.5	-169.9	-68.7	-21.9	0	0	0	113.6	D968 K973	D968-N971 PolarHBondContact O-N 2.89Å; N971-K973 PolarHBondContact O-N 2.76Å
972	M	78	Confident	79.1	Confident	18 Å²	18	54.6 Å²	54.6	9%	0.089	28%	0.275	C	S	.	.			trans	-52.8	126.2	173.9	-159.9	-175.7	149	0	0	109.4	W916 F919 N922 L955 L964 D968	W916-M972 HydrophobicContact CE3-CE 3.99Å; W916-M972 HydrophobicContact CH2-CE 4.34Å; W916-M972 HydrophobicContact CZ3-CE 3.48Å; W916-M972 VanDerWaalsContact CZ3-CE 3.48Å; F919-M972 HydrophobicContact CB-CE 4.1Å; F919-M972 HydrophobicContact CB-SD 4.25Å; F919-M972 HydrophobicContact CD1-CE 3.79Å; F919-M972 HydrophobicContact CD2-CB 4.03Å; F919-M972 HydrophobicContact CD2-CE 3.35Å; F919-M972 HydrophobicContact CD2-CG 3.43Å; F919-M972 VanDerWaalsContact CD2-CG 3.43Å; F919-M972 HydrophobicContact CD2-SD 3.86Å; F919-M972 HydrophobicContact CE1-CE 3.93Å; F919-M972 HydrophobicContact CE2-CE 3.48Å; F919-M972 VanDerWaalsContact CE2-CE 3.48Å; F919-M972 HydrophobicContact CE2-CG 3.81Å; F919-M972 HydrophobicContact CE2-SD 4.38Å; F919-M972 HydrophobicContact CG-CE 3.48Å; F919-M972 VanDerWaalsContact CG-CE 3.48Å; F919-M972 HydrophobicContact CG-CG 4.27Å; F919-M972 HydrophobicContact CG-SD 4.14Å; F919-M972 HydrophobicContact CZ-CE 3.76Å; N922-M972 VanDerWaalsContact CB-O 3.22Å; N922-M972 WeakPolarHBondContact CB-O 3.36Å; N922-M972 PolarHBondContact ND2-O 2.78Å; L955-M972 HydrophobicContact CD1-CE 3.39Å; L955-M972 HydrophobicContact CD2-CE 4.11Å; L955-M972 HydrophobicContact CG-CE 4.39Å; L964-M972 HydrophobicContact CD1-SD 4.01Å; L964-M972 HydrophobicContact CD2-CG 4.14Å; L964-M972 HydrophobicContact CD2-SD 3.96Å; D968-M972 PolarHBondContact O-N 3.47Å; D968-M972 VanDerWaalsContact O-N 3.08Å
973	K	84.9	Confident	79	Confident	80 Å²	80	57.8 Å²	57.8	35%	0.348	29%	0.292	S	S	.	.			trans	-145.8	155.4	-173.6	68.5	-177.8	-177.9	-177.2	0	110.9	F919 N922 N971 S995	F919-K973 VanDerWaalsContact CE2-C 3.47Å; N922-K973 HydrophobicContact CB-CB 4.15Å; N971-K973 PolarHBondContact O-N 2.76Å; K973-S995 WeakPolarHBondContact O-CB 3.34Å
974	I	91.1	Very high	78.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.			trans	-128.7	136.9	170.7	-176.7	169.1	0	0	0	108.7	F919 A923 R924 F939 W940 F954 L958 F976 L997	F919-I974 HydrophobicContact CE1-CG2 4.4Å; F919-I974 HydrophobicContact CE2-CB 3.94Å; F919-I974 HydrophobicContact CE2-CG2 4.24Å; F919-I974 HydrophobicContact CZ-CB 3.74Å; F919-I974 HydrophobicContact CZ-CD1 4.44Å; F919-I974 HydrophobicContact CZ-CG2 4.03Å; A923-I974 CarbonylContact C-O 3.57Å; A923-I974 VanDerWaalsContact CA-O 3.29Å; A923-I974 WeakPolarHBondContact CA-O 3.41Å; A923-I974 HydrophobicContact CB-CG2 3.88Å; R924-I974 PolarHBondContact N-O 2.97Å; F939-I974 HydrophobicContact CE1-CD1 4.48Å; F939-I974 HydrophobicContact CZ-CD1 4.3Å; W940-I974 HydrophobicContact CH2-CG2 3.75Å; W940-I974 HydrophobicContact CZ2-CG2 3.62Å; F954-I974 HydrophobicContact CE1-CD1 4.24Å; F954-I974 HydrophobicContact CZ-CD1 4.06Å; L958-I974 HydrophobicContact CD1-CD1 4.18Å; L958-I974 HydrophobicContact CD1-CG1 4.1Å; L958-I974 HydrophobicContact CD2-CB 4.03Å; L958-I974 HydrophobicContact CD2-CD1 3.79Å; L958-I974 HydrophobicContact CD2-CG1 3.86Å; I974-F976 HydrophobicContact CD1-CE1 4.01Å; I974-F976 HydrophobicContact CD1-CE2 4.31Å; I974-F976 HydrophobicContact CD1-CZ 3.79Å; I974-F976 HydrophobicContact CG1-CE2 4.28Å; I974-F976 HydrophobicContact CG1-CZ 4.25Å; I974-F976 HydrophobicContact CG2-CD2 4.47Å; I974-F976 HydrophobicContact CG2-CE2 3.7Å; I974-F976 HydrophobicContact CG2-CZ 4.09Å; I974-L997 HydrophobicContact CD1-CB 3.99Å; I974-L997 HydrophobicContact CD1-CD2 4.07Å; I974-L997 HydrophobicContact CG1-CB 4.19Å
975	T	90.8	Very high	78.8	Confident	13 Å²	13	69.7 Å²	69.7	8%	0.08	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.4	174.9	-54.7	0	0	0	0	109	R924 E926 S995 V996 L997	R924-T975 HydrophobicContact CB-CG2 4.16Å; R924-T975 CarbonylContact O-C 3.58Å; R924-T975 WeakPolarHBondContact O-CA 3.03Å; E926-T975 HydrophobicContact CG-CG2 4.06Å; T975-S995 PolarHBondContact N-O 3.25Å; T975-V996 HydrophobicContact CG2-CG2 4.28Å; T975-V996 CarbonylContact O-C 3.39Å; T975-V996 VanDerWaalsContact O-CA 3.27Å; T975-V996 WeakPolarHBondContact O-CA 3.06Å; T975-L997 PolarHBondContact O-N 2.48Å
976	F	92.6	Very high	79.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.2	177.1	-65.4	-87.3	0	0	0	111	A923 R924 Y925 E926 Y929 I936 F939 W940 I974 L997 L999	A923-F976 HydrophobicContact CB-CD2 4.5Å; A923-F976 HydrophobicContact CB-CE2 4.04Å; R924-F976 PolarHBondContact O-N 3.24Å; Y925-F976 HydrophobicContact CD1-CB 4.09Å; Y925-F976 AromaticContact CD1-CD2 3.82Å; Y925-F976 HydrophobicContact CD1-CD2 3.82Å; Y925-F976 HydrophobicContact CD1-CG 4.32Å; Y925-F976 AromaticContact CE1-CD2 3.57Å; Y925-F976 HydrophobicContact CE1-CD2 3.57Å; Y925-F976 HydrophobicContact CE1-CE2 4.07Å; Y925-F976 HydrophobicContact CE1-CG 4.37Å; E926-F976 PolarHBondContact N-O 3.16Å; Y929-F976 HydrophobicContact CD2-CB 3.96Å; I936-F976 HydrophobicContact CD1-CB 3.77Å; I936-F976 HydrophobicContact CD1-CD1 3.52Å; I936-F976 HydrophobicContact CD1-CD2 3.89Å; I936-F976 HydrophobicContact CD1-CE1 4Å; I936-F976 HydrophobicContact CD1-CE2 4.33Å; I936-F976 HydrophobicContact CD1-CG 3.45Å; I936-F976 VanDerWaalsContact CD1-CG 3.45Å; I936-F976 HydrophobicContact CD1-CZ 4.38Å; F939-F976 AromaticContact CD1-CE1 3.62Å; F939-F976 HydrophobicContact CD1-CE1 3.62Å; F939-F976 AromaticContact CD1-CZ 3.52Å; F939-F976 HydrophobicContact CD1-CZ 3.52Å; F939-F976 HydrophobicContact CD2-CE1 4.34Å; F939-F976 AromaticContact CE1-CE1 3.72Å; F939-F976 HydrophobicContact CE1-CE1 3.72Å; F939-F976 AromaticContact CE1-CZ 3.5Å; F939-F976 HydrophobicContact CE1-CZ 3.5Å; F939-F976 HydrophobicContact CE2-CE1 4.4Å; F939-F976 AromaticContact CG-CE1 3.97Å; F939-F976 HydrophobicContact CG-CE1 3.97Å; F939-F976 HydrophobicContact CG-CZ 4.32Å; F939-F976 HydrophobicContact CZ-CE1 4.11Å; F939-F976 HydrophobicContact CZ-CZ 4.26Å; W940-F976 AromaticContact CE2-CE2 4Å; W940-F976 AromaticContact CE2-CZ 3.87Å; W940-F976 AromaticContact CZ2-CE2 3.76Å; W940-F976 HydrophobicContact CZ2-CE2 3.76Å; W940-F976 AromaticContact CZ2-CZ 3.76Å; W940-F976 HydrophobicContact CZ2-CZ 3.76Å; W940-F976 AromaticContact NE1-CE2 3.83Å; W940-F976 AromaticContact NE1-CZ 3.89Å; I974-F976 HydrophobicContact CD1-CE1 4.01Å; I974-F976 HydrophobicContact CD1-CE2 4.31Å; I974-F976 HydrophobicContact CD1-CZ 3.79Å; I974-F976 HydrophobicContact CG1-CE2 4.28Å; I974-F976 HydrophobicContact CG1-CZ 4.25Å; I974-F976 HydrophobicContact CG2-CD2 4.47Å; I974-F976 HydrophobicContact CG2-CE2 3.7Å; I974-F976 HydrophobicContact CG2-CZ 4.09Å; F976-L997 HydrophobicContact CD1-CB 4.47Å; F976-L997 HydrophobicContact CD1-CD2 4.01Å; F976-L997 HydrophobicContact CE1-CD2 3.73Å; F976-L999 HydrophobicContact CD1-CB 4.31Å; F976-L999 HydrophobicContact CD1-CD2 3.81Å; F976-L999 HydrophobicContact CE1-CD2 4.04Å
977	C	90.4	Very high	79.6	Confident	24 Å²	24	72.9 Å²	72.9	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.2	176.4	-176.2	0	0	0	0	110.1	E926 V996 L997 F998 L999	E926-C977 HydrophobicContact CB-CB 4.15Å; E926-C977 HydrophobicContact CG-CB 4Å; C977-V996 HydrophobicContact CB-CG1 3.87Å; C977-L997 PolarHBondContact N-O 3.49Å; C977-F998 HydrophobicContact CB-CD1 3.83Å; C977-F998 HydrophobicContact CB-CE1 4.02Å; C977-F998 CarbonylContact O-C 3.53Å; C977-F998 VanDerWaalsContact O-CA 3.27Å; C977-F998 WeakPolarHBondContact O-CA 3.34Å; C977-L999 PolarHBondContact O-N 3.02Å
978	C	86.9	Confident	80.6	Confident	21 Å²	21	69.4 Å²	69.4	14%	0.142	34%	0.344	C	S	.	.			trans	-131.5	113.8	168.1	-177.1	0	0	0	0	108	Y929 L999	Y929-C978 HydrophobicContact CD2-CB 4.22Å; Y929-C978 HydrophobicContact CE2-CB 3.51Å; C978-L999 WeakPolarHBondContact CB-O 3.46Å
979	P	82.1	Confident	81.6	Confident	33 Å²	33	73.7 Å²	73.7	21%	0.214	36%	0.357	C	S	.	.			trans	-61.9	143.7	172	-22	35.8	0	0	0	110.7	S981 W982 F998	P979-S981 PolarHBondContact O-N 3.35Å; P979-W982 HydrophobicContact CB-CD2 4.22Å; P979-W982 HydrophobicContact CB-CG 3.94Å; P979-W982 HydrophobicContact CG-CD2 3.74Å; P979-W982 HydrophobicContact CG-CE3 4.3Å; P979-W982 HydrophobicContact CG-CG 4.01Å; P979-W982 HydrophobicContact CG-CZ2 4.05Å; P979-W982 PolarHBondContact O-N 3.02Å; P979-F998 HydrophobicContact CG-CD1 3.86Å; P979-F998 HydrophobicContact CG-CE1 4.29Å
980	E	77.3	Confident	82.5	Confident	208 Å²	208	72 Å²	72	97%	0.972	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	-175.9	-66.1	-174.7	167.6	0	0	113.6
981	S	78.8	Confident	83.3	Confident	103 Å²	103	66.5 Å²	66.5	72%	0.72	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.6	-179.8	55	0	0	0	0	114.6	P979	P979-S981 PolarHBondContact O-N 3.35Å
982	W	83.1	Confident	83.8	Confident	58 Å²	58	61.8 Å²	61.8	22%	0.22	31%	0.306	C	S	.	.			trans	-88.8	143.7	-172.5	-73.6	19.8	0	0	0	112.7	P979 D986 R989 F998 P1000	P979-W982 HydrophobicContact CB-CD2 4.22Å; P979-W982 HydrophobicContact CB-CG 3.94Å; P979-W982 HydrophobicContact CG-CD2 3.74Å; P979-W982 HydrophobicContact CG-CE3 4.3Å; P979-W982 HydrophobicContact CG-CG 4.01Å; P979-W982 HydrophobicContact CG-CZ2 4.05Å; P979-W982 PolarHBondContact O-N 3.02Å; W982-D986 VanDerWaalsContact CA-OD2 3.29Å; W982-D986 WeakPolarHBondContact CA-OD2 3.39Å; W982-D986 HydrophobicContact CB-CB 4.44Å; W982-D986 HydrophobicContact CD2-CB 4.25Å; W982-D986 HydrophobicContact CE3-CB 4.24Å; W982-D986 HydrophobicContact CG-CB 4.37Å; W982-R989 HydrophobicContact CH2-CB 4.01Å; W982-R989 HydrophobicContact CH2-CG 3.84Å; W982-F998 HydrophobicContact CE3-CB 4.38Å; W982-F998 HydrophobicContact CH2-CB 3.39Å; W982-F998 HydrophobicContact CH2-CG 4.09Å; W982-F998 HydrophobicContact CZ2-CB 4.37Å; W982-F998 HydrophobicContact CZ3-CB 3.41Å; W982-F998 VanDerWaalsContact CZ3-CB 3.41Å; W982-F998 HydrophobicContact CZ3-CG 4.47Å; W982-P1000 HydrophobicContact CE3-CG 3.93Å; W982-P1000 HydrophobicContact CZ3-CG 4.3Å
983	N	81.6	Confident	83.2	Confident	85 Å²	85	62.1 Å²	62.1	46%	0.455	31%	0.31	S	S	.	.			trans	-119.3	173.6	175.6	65	75	0	0	0	110.8	R985 D986 P1000	N983-R985 PolarHBondContact O-N 3.25Å; N983-R985 VanDerWaalsContact O-N 3.09Å; N983-R985 WeakPolarHBondContact OD1-CB 3.47Å; N983-R985 PolarHBondContact OD1-N 3.46Å; N983-D986 PolarHBondContact N-OD2 3.09Å; N983-D986 PolarHBondContact ND2-OD2 2.84Å; N983-D986 VanDerWaalsContact ND2-OD2 3.13Å; N983-D986 WeakPolarHBondContact O-CB 3.34Å; N983-D986 PolarHBondContact O-N 3.29Å; N983-D986 VanDerWaalsContact O-N 3.07Å; N983-P1000 WeakPolarHBondContact O-CB 3.37Å
984	E	83.7	Confident	82.7	Confident	74 Å²	74	64 Å²	64	35%	0.346	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.7	-175.7	-66.8	-166.2	-154	0	0	115.4	K1001 Y1002 S1003	E984-K1001 WeakPolarHBondContact CG-O 3.42Å; E984-Y1002 HydrophobicContact CB-CD1 4.44Å; E984-Y1002 WeakPolarHBondContact O-CE1 3.37Å; E984-S1003 VanDerWaalsContact CD-N 3.27Å; E984-S1003 VanDerWaalsContact OE1-CB 3.28Å; E984-S1003 WeakPolarHBondContact OE1-CB 3.28Å; E984-S1003 PolarHBondContact OE1-N 2.85Å; E984-S1003 VanDerWaalsContact OE1-N 3.13Å; E984-S1003 PolarHBondContact OE1-OG 3.01Å; E984-S1003 PolarHBondContact OE2-N 3.21Å
985	R	79.1	Confident	82.4	Confident	234 Å²	234	65 Å²	65	88%	0.883	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.7	178.2	-54.8	-174.6	-173.1	-165.7	1.6	112.7	N983	N983-R985 PolarHBondContact O-N 3.25Å; N983-R985 VanDerWaalsContact O-N 3.09Å; N983-R985 WeakPolarHBondContact OD1-CB 3.47Å; N983-R985 PolarHBondContact OD1-N 3.46Å
986	D	83.3	Confident	82.2	Confident	45 Å²	45	65.2 Å²	65.2	24%	0.241	33%	0.326	C	S	.	.	S	Bend	trans	-68.4	139.3	175.7	-70.3	-59.4	0	0	0	110.1	W982 N983 P1000	W982-D986 VanDerWaalsContact CA-OD2 3.29Å; W982-D986 WeakPolarHBondContact CA-OD2 3.39Å; W982-D986 HydrophobicContact CB-CB 4.44Å; W982-D986 HydrophobicContact CD2-CB 4.25Å; W982-D986 HydrophobicContact CE3-CB 4.24Å; W982-D986 HydrophobicContact CG-CB 4.37Å; N983-D986 PolarHBondContact N-OD2 3.09Å; N983-D986 PolarHBondContact ND2-OD2 2.84Å; N983-D986 VanDerWaalsContact ND2-OD2 3.13Å; N983-D986 WeakPolarHBondContact O-CB 3.34Å; N983-D986 PolarHBondContact O-N 3.29Å; N983-D986 VanDerWaalsContact O-N 3.07Å; D986-P1000 HydrophobicContact CB-CG 4.26Å; D986-P1000 VanDerWaalsContact O-CG 3.27Å; D986-P1000 WeakPolarHBondContact O-CG 3.49Å
987	P	80.9	Confident	82.1	Confident	65 Å²	65	65.2 Å²	65.2	42%	0.422	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-72.2	148.1	179.6	29.3	-34.1	0	0	0	110.9	R989	P987-R989 PolarHBondContact O-N 2.93Å
988	M	86.6	Confident	82.1	Confident	13 Å²	13	66.5 Å²	66.5	6%	0.064	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-59.1	136.7	167.4	-66.2	-165.4	-159	0	0	109.6	F957 L999 Y1002 A1011 L1012 A1015	F957-M988 HydrophobicContact CZ-CB 4.49Å; M988-L999 HydrophobicContact CE-CD1 3.61Å; M988-L999 HydrophobicContact CG-CD1 4.09Å; M988-L999 HydrophobicContact SD-CD1 3.64Å; M988-Y1002 HydrophobicContact CE-CE2 3.88Å; M988-A1011 HydrophobicContact CE-CB 3.55Å; M988-A1011 HydrophobicContact CG-CB 4.31Å; M988-L1012 HydrophobicContact CE-CB 4.14Å; M988-A1015 HydrophobicContact CB-CB 4.32Å
989	R	85.6	Confident	82.3	Confident	129 Å²	129	65.5 Å²	65.5	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.1	173.7	-58.1	-174.4	-178.2	-166.6	-4.1	110.3	W982 P987 F998	W982-R989 HydrophobicContact CH2-CB 4.01Å; W982-R989 HydrophobicContact CH2-CG 3.84Å; P987-R989 PolarHBondContact O-N 2.93Å; R989-F998 HydrophobicContact CB-CB 4.31Å; R989-F998 HydrophobicContact CB-CD2 4.25Å; R989-F998 PolarHBondContact N-O 3.38Å; R989-F998 WeakPolarHBondContact O-CA 3.46Å; R989-F998 WeakPolarHBondContact O-CB 3.36Å; R989-F998 PolarHBondContact O-N 3.38Å
990	A	83.8	Confident	82.7	Confident	23 Å²	23	64 Å²	64	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.4	173.6	0	0	0	0	0	110.6	F957 T992 V996	F957-A990 HydrophobicContact CD1-CB 4.09Å; F957-A990 HydrophobicContact CE1-CB 3.78Å; F957-A990 HydrophobicContact CE2-CB 4.46Å; F957-A990 HydrophobicContact CZ-CB 3.99Å; F957-A990 WeakPolarHBondContact O-CB 3.21Å; A990-T992 HydrophobicContact CB-CG2 4.41Å; A990-V996 CarbonylContact C-O 3.52Å; A990-V996 WeakPolarHBondContact CA-O 3.47Å
991	L	80.9	Confident	83.2	Confident	61 Å²	61	58.8 Å²	58.8	32%	0.319	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	89.5	162.5	-172.7	66.3	0	0	0	107.4	C993 F994 S995 V996 F998	L991-C993 PolarHBondContact O-N 3.17Å; L991-C993 VanDerWaalsContact O-N 3.1Å; L991-F994 HydrophobicContact CD2-CD2 3.47Å; L991-F994 VanDerWaalsContact CD2-CD2 3.47Å; L991-F994 HydrophobicContact CD2-CE2 4.13Å; L991-F994 HydrophobicContact CD2-CG 4.39Å; L991-F994 HydrophobicContact CG-CD2 3.84Å; L991-F994 PolarHBondContact O-N 2.89Å; L991-F994 VanDerWaalsContact O-N 3.1Å; L991-S995 PolarHBondContact O-N 2.72Å; L991-S995 VanDerWaalsContact O-N 3.16Å; L991-V996 HydrophobicContact CB-CB 4.17Å; L991-V996 PolarHBondContact N-O 2.75Å; L991-V996 PolarHBondContact O-N 2.78Å; L991-F998 HydrophobicContact CB-CE2 4Å
992	T	77.4	Confident	83.7	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.067	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.4	-33	-164.3	57.8	0	0	0	0	113.7	G723 F957 L958 A990 F994 S995 F1022	G723-T992 WeakPolarHBondContact CA-OG1 3.38Å; F957-T992 WeakPolarHBondContact O-CG2 3.45Å; L958-T992 VanDerWaalsContact O-CA 3.24Å; L958-T992 WeakPolarHBondContact O-CA 3.31Å; A990-T992 HydrophobicContact CB-CG2 4.41Å; T992-F994 PolarHBondContact O-N 2.79Å; T992-S995 PolarHBondContact O-N 3Å; T992-F1022 HydrophobicContact CG2-CE1 4.34Å; T992-F1022 WeakPolarHBondContact OG1-CE1 3.41Å
993	C	67.4	Low	84	Confident	25 Å²	25	55.9 Å²	55.9	17%	0.169	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-67.5	-23.8	-176	-46.5	0	0	0	0	113.5	L721 G723 L991	L721-C993 HydrophobicContact CB-CB 3.74Å; L721-C993 WeakPolarHBondContact CB-SG 3.43Å; L721-C993 HydrophobicContact CD1-CB 4.38Å; G723-C993 WeakPolarHBondContact CA-SG 3.38Å; G723-C993 PolarHBondContact N-SG 3.03Å; L991-C993 PolarHBondContact O-N 3.17Å; L991-C993 VanDerWaalsContact O-N 3.1Å
994	F	73.8	Confident	84.4	Confident	118 Å²	118	54.6 Å²	54.6	52%	0.518	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-118.7	3.1	-180	-59.7	-78.5	0	0	0	112.6	L721 L991 T992 V996	L721-F994 HydrophobicContact CD2-CE2 4.41Å; L991-F994 HydrophobicContact CD2-CD2 3.47Å; L991-F994 VanDerWaalsContact CD2-CD2 3.47Å; L991-F994 HydrophobicContact CD2-CE2 4.13Å; L991-F994 HydrophobicContact CD2-CG 4.39Å; L991-F994 HydrophobicContact CG-CD2 3.84Å; L991-F994 PolarHBondContact O-N 2.89Å; L991-F994 VanDerWaalsContact O-N 3.1Å; T992-F994 PolarHBondContact O-N 2.79Å; F994-V996 HydrophobicContact CB-CG2 3.75Å; F994-V996 PolarHBondContact O-N 2.95Å
995	S	84.6	Confident	84.7	Confident	21 Å²	21	53.4 Å²	53.4	15%	0.147	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.2	-174.1	-46.5	0	0	0	0	111.9	K973 T975 L991 T992	K973-S995 WeakPolarHBondContact O-CB 3.34Å; T975-S995 PolarHBondContact N-O 3.25Å; L991-S995 PolarHBondContact O-N 2.72Å; L991-S995 VanDerWaalsContact O-N 3.16Å; T992-S995 PolarHBondContact O-N 3Å
996	V	86.7	Confident	85.2	Confident	18 Å²	18	49 Å²	49	11%	0.109	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.7	176.9	179.2	0	0	0	0	108.4	T975 C977 A990 L991 F994 F998	T975-V996 HydrophobicContact CG2-CG2 4.28Å; T975-V996 CarbonylContact O-C 3.39Å; T975-V996 VanDerWaalsContact O-CA 3.27Å; T975-V996 WeakPolarHBondContact O-CA 3.06Å; C977-V996 HydrophobicContact CB-CG1 3.87Å; A990-V996 CarbonylContact C-O 3.52Å; A990-V996 WeakPolarHBondContact CA-O 3.47Å; L991-V996 HydrophobicContact CB-CB 4.17Å; L991-V996 PolarHBondContact N-O 2.75Å; L991-V996 PolarHBondContact O-N 2.78Å; F994-V996 HydrophobicContact CB-CG2 3.75Å; F994-V996 PolarHBondContact O-N 2.95Å; V996-F998 HydrophobicContact CG1-CE1 4.47Å; V996-F998 HydrophobicContact CG1-CZ 4.4Å
997	L	90.8	Very high	85.5	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.6	171.5	-175.1	71.9	0	0	0	109	F939 F954 F957 L958 I974 T975 F976 C977 L999	F939-L997 HydrophobicContact CD2-CD2 4.28Å; F939-L997 HydrophobicContact CE2-CD2 3.64Å; F939-L997 HydrophobicContact CZ-CD2 3.97Å; F954-L997 HydrophobicContact CE2-CD1 4.48Å; F954-L997 HydrophobicContact CZ-CD2 4.27Å; F957-L997 HydrophobicContact CD1-CD1 4.47Å; F957-L997 HydrophobicContact CE1-CD1 3.69Å; L958-L997 HydrophobicContact CD1-CB 4.17Å; I974-L997 HydrophobicContact CD1-CB 3.99Å; I974-L997 HydrophobicContact CD1-CD2 4.07Å; I974-L997 HydrophobicContact CG1-CB 4.19Å; T975-L997 PolarHBondContact O-N 2.48Å; F976-L997 HydrophobicContact CD1-CB 4.47Å; F976-L997 HydrophobicContact CD1-CD2 4.01Å; F976-L997 HydrophobicContact CE1-CD2 3.73Å; C977-L997 PolarHBondContact N-O 3.49Å; L997-L999 HydrophobicContact CD2-CB 4.29Å; L997-L999 HydrophobicContact CD2-CD1 4.21Å; L997-L999 HydrophobicContact CG-CB 4.38Å; L997-L999 PolarHBondContact O-N 3.29Å
998	F	89	Confident	85.9	Confident	52 Å²	52	45.9 Å²	45.9	23%	0.228	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	101.6	166.3	-62.3	-75.1	0	0	0	108.8	C977 P979 W982 R989 L991 V996	C977-F998 HydrophobicContact CB-CD1 3.83Å; C977-F998 HydrophobicContact CB-CE1 4.02Å; C977-F998 CarbonylContact O-C 3.53Å; C977-F998 VanDerWaalsContact O-CA 3.27Å; C977-F998 WeakPolarHBondContact O-CA 3.34Å; P979-F998 HydrophobicContact CG-CD1 3.86Å; P979-F998 HydrophobicContact CG-CE1 4.29Å; W982-F998 HydrophobicContact CE3-CB 4.38Å; W982-F998 HydrophobicContact CH2-CB 3.39Å; W982-F998 HydrophobicContact CH2-CG 4.09Å; W982-F998 HydrophobicContact CZ2-CB 4.37Å; W982-F998 HydrophobicContact CZ3-CB 3.41Å; W982-F998 VanDerWaalsContact CZ3-CB 3.41Å; W982-F998 HydrophobicContact CZ3-CG 4.47Å; R989-F998 HydrophobicContact CB-CB 4.31Å; R989-F998 HydrophobicContact CB-CD2 4.25Å; R989-F998 PolarHBondContact N-O 3.38Å; R989-F998 WeakPolarHBondContact O-CA 3.46Å; R989-F998 WeakPolarHBondContact O-CB 3.36Å; R989-F998 PolarHBondContact O-N 3.38Å; L991-F998 HydrophobicContact CB-CE2 4Å; V996-F998 HydrophobicContact CG1-CE1 4.47Å; V996-F998 HydrophobicContact CG1-CZ 4.4Å
999	L	91	Very high	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.			trans	-109.8	112.6	-175.7	-173.9	70.8	0	0	0	108.7	Y929 T935 I936 F939 F976 C977 C978 M988 L997 Y1002	Y929-L999 HydrophobicContact CE2-CB 4.21Å; Y929-L999 VanDerWaalsContact CE2-O 3.31Å; Y929-L999 WeakPolarHBondContact CE2-O 3.43Å; Y929-L999 PolarHBondContact OH-O 2.82Å; T935-L999 HydrophobicContact CG2-CD2 3.92Å; T935-L999 HydrophobicContact CG2-CG 4.22Å; I936-L999 HydrophobicContact CD1-CD2 3.99Å; F939-L999 HydrophobicContact CB-CD2 4.2Å; F939-L999 HydrophobicContact CD2-CD1 4.2Å; F939-L999 HydrophobicContact CD2-CD2 4.38Å; F939-L999 HydrophobicContact CG-CD2 4.39Å; F976-L999 HydrophobicContact CD1-CB 4.31Å; F976-L999 HydrophobicContact CD1-CD2 3.81Å; F976-L999 HydrophobicContact CE1-CD2 4.04Å; C977-L999 PolarHBondContact O-N 3.02Å; C978-L999 WeakPolarHBondContact CB-O 3.46Å; M988-L999 HydrophobicContact CE-CD1 3.61Å; M988-L999 HydrophobicContact CG-CD1 4.09Å; M988-L999 HydrophobicContact SD-CD1 3.64Å; L997-L999 HydrophobicContact CD2-CB 4.29Å; L997-L999 HydrophobicContact CD2-CD1 4.21Å; L997-L999 HydrophobicContact CG-CB 4.38Å; L997-L999 PolarHBondContact O-N 3.29Å; L999-Y1002 HydrophobicContact CD1-CD2 4.32Å; L999-Y1002 HydrophobicContact CD1-CE2 3.8Å; L999-Y1002 HydrophobicContact CG-CE2 4.39Å
1000	P	90.6	Very high	86.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.			trans	-60	154.1	169.6	-19.4	28.3	0	0	0	112.4	Y929 T935 W982 N983 D986 Y1002	Y929-P1000 VanDerWaalsContact OH-C 3.32Å; Y929-P1000 PolarHBondContact OH-O 3.03Å; T935-P1000 WeakPolarHBondContact CG2-O 3.14Å; W982-P1000 HydrophobicContact CE3-CG 3.93Å; W982-P1000 HydrophobicContact CZ3-CG 4.3Å; N983-P1000 WeakPolarHBondContact O-CB 3.37Å; D986-P1000 HydrophobicContact CB-CG 4.26Å; D986-P1000 VanDerWaalsContact O-CG 3.27Å; D986-P1000 WeakPolarHBondContact O-CG 3.49Å; P1000-Y1002 HydrophobicContact CB-CE1 4.3Å; P1000-Y1002 HydrophobicContact CB-CE2 4.14Å; P1000-Y1002 WeakPolarHBondContact CD-OH 3.45Å; P1000-Y1002 HydrophobicContact CG-CE2 4.26Å; P1000-Y1002 WeakPolarHBondContact CG-OH 3.41Å; P1000-Y1002 WeakPolarHBondContact O-CD2 3.49Å; P1000-Y1002 WeakPolarHBondContact O-CE2 3.3Å; P1000-Y1002 PolarHBondContact O-N 2.86Å; P1000-Y1002 VanDerWaalsContact O-N 3.08Å
1001	K	89.4	Confident	86.4	Confident	100 Å²	100	48.4 Å²	48.4	44%	0.435	25%	0.251	S	S	.	.			trans	-79.4	88.9	179.2	-70.7	178.9	-179.8	173.9	0	111.4	Y929 E984	Y929-K1001 HydrophobicContact CE1-CG 4.19Å; E984-K1001 WeakPolarHBondContact CG-O 3.42Å
1002	Y	89.1	Confident	86.8	Confident	11 Å²	11	45.6 Å²	45.6	4%	0.043	24%	0.236	C	C	.	.			trans	-75.7	143.2	179.9	-60.5	-74.1	0	0	0	114.1	T935 M938 E984 M988 L999 P1000 V1008 A1011	T935-Y1002 HydrophobicContact CG2-CD2 3.86Å; T935-Y1002 HydrophobicContact CG2-CG 4.49Å; T935-Y1002 PolarHBondContact OG1-N 2.81Å; T935-Y1002 PolarHBondContact OG1-O 2.85Å; M938-Y1002 VanDerWaalsContact CE-O 3.31Å; M938-Y1002 WeakPolarHBondContact CE-O 3.39Å; E984-Y1002 HydrophobicContact CB-CD1 4.44Å; E984-Y1002 WeakPolarHBondContact O-CE1 3.37Å; M988-Y1002 HydrophobicContact CE-CE2 3.88Å; L999-Y1002 HydrophobicContact CD1-CD2 4.32Å; L999-Y1002 HydrophobicContact CD1-CE2 3.8Å; L999-Y1002 HydrophobicContact CG-CE2 4.39Å; P1000-Y1002 HydrophobicContact CB-CE1 4.3Å; P1000-Y1002 HydrophobicContact CB-CE2 4.14Å; P1000-Y1002 WeakPolarHBondContact CD-OH 3.45Å; P1000-Y1002 HydrophobicContact CG-CE2 4.26Å; P1000-Y1002 WeakPolarHBondContact CG-OH 3.41Å; P1000-Y1002 WeakPolarHBondContact O-CD2 3.49Å; P1000-Y1002 WeakPolarHBondContact O-CE2 3.3Å; P1000-Y1002 PolarHBondContact O-N 2.86Å; P1000-Y1002 VanDerWaalsContact O-N 3.08Å; Y1002-V1008 HydrophobicContact CD2-CG2 3.66Å; Y1002-V1008 HydrophobicContact CG-CG2 3.75Å; Y1002-A1011 HydrophobicContact CE1-CB 4.12Å; Y1002-A1011 HydrophobicContact CE2-CB 4.41Å; Y1002-A1011 WeakPolarHBondContact OH-CB 3.43Å
1003	S	87.8	Confident	87.4	Confident	88 Å²	88	47.9 Å²	47.9	62%	0.615	25%	0.246	S	C	*	.	S	Bend	trans	-83	-25.2	176.9	-74.4	0	0	0	0	114.9	E984	E984-S1003 VanDerWaalsContact CD-N 3.27Å; E984-S1003 VanDerWaalsContact OE1-CB 3.28Å; E984-S1003 WeakPolarHBondContact OE1-CB 3.28Å; E984-S1003 PolarHBondContact OE1-N 2.85Å; E984-S1003 VanDerWaalsContact OE1-N 3.13Å; E984-S1003 PolarHBondContact OE1-OG 3.01Å; E984-S1003 PolarHBondContact OE2-N 3.21Å
1004	T	90.4	Very high	88.3	Confident	59 Å²	59	50.5 Å²	50.5	36%	0.362	26%	0.261	S	S	.	.	S	Bend	trans	-134.1	160	-171.1	73.9	0	0	0	0	112.9	M938 T1007 V1008	M938-T1004 VanDerWaalsContact SD-C 3.5Å; T1004-T1007 PolarHBondContact O-OG1 2.78Å; T1004-T1007 WeakPolarHBondContact OG1-CG2 3.44Å; T1004-T1007 PolarHBondContact OG1-N 2.8Å; T1004-T1007 PolarHBondContact OG1-OG1 2.8Å; T1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; T1004-V1008 PolarHBondContact O-N 3.24Å
1005	M	91.5	Very high	88.9	Confident	48 Å²	48	45.1 Å²	45.1	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-40.4	176.1	-172	74.5	-167.8	0	0	111.8	M938 K941 A942 T1007 V1008 E1009	M938-M1005 HydrophobicContact CB-SD 3.8Å; M938-M1005 HydrophobicContact CG-SD 3.97Å; M938-M1005 WeakPolarHBondContact O-CE 3.22Å; M938-M1005 HydrophobicContact SD-CB 4.4Å; K941-M1005 HydrophobicContact CB-CE 3.69Å; K941-M1005 HydrophobicContact CB-SD 4.34Å; A942-M1005 HydrophobicContact CB-CE 3.7Å; M1005-T1007 PolarHBondContact O-N 2.78Å; M1005-V1008 PolarHBondContact O-N 2.78Å; M1005-E1009 HydrophobicContact CE-CG 4.07Å; M1005-E1009 WeakPolarHBondContact CE-OE1 3.32Å; M1005-E1009 WeakPolarHBondContact O-CG 3.37Å; M1005-E1009 PolarHBondContact O-N 2.94Å
1006	E	89.3	Confident	89	Confident	143 Å²	143	44.2 Å²	44.2	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-60.6	-44.8	-179.4	-71.3	164.5	176.1	0	0	111	V1008 E1009 E1010	E1006-V1008 VanDerWaalsContact C-N 3.31Å; E1006-V1008 PolarHBondContact O-N 3.26Å; E1006-E1009 PolarHBondContact O-N 3.25Å; E1006-E1010 WeakPolarHBondContact O-CG 3.25Å; E1006-E1010 PolarHBondContact O-N 2.72Å
1007	T	88	Confident	88.9	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.27	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-33.2	177.9	52.1	0	0	0	0	113.2	T1004 M1005 A1011	T1004-T1007 PolarHBondContact O-OG1 2.78Å; T1004-T1007 WeakPolarHBondContact OG1-CG2 3.44Å; T1004-T1007 PolarHBondContact OG1-N 2.8Å; T1004-T1007 PolarHBondContact OG1-OG1 2.8Å; M1005-T1007 PolarHBondContact O-N 2.78Å; T1007-A1011 WeakPolarHBondContact O-CB 3.38Å; T1007-A1011 PolarHBondContact O-N 2.88Å
1008	V	90.1	Very high	88.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	-43.8	173.3	176.2	0	0	0	0	111.2	M938 F939 A942 Y1002 T1004 M1005 E1006 L1012	M938-V1008 HydrophobicContact CB-CG2 4.09Å; M938-V1008 HydrophobicContact CE-CG2 4.46Å; F939-V1008 HydrophobicContact CB-CG1 4.3Å; A942-V1008 HydrophobicContact CB-CG1 4.12Å; Y1002-V1008 HydrophobicContact CD2-CG2 3.66Å; Y1002-V1008 HydrophobicContact CG-CG2 3.75Å; T1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; T1004-V1008 PolarHBondContact O-N 3.24Å; M1005-V1008 PolarHBondContact O-N 2.78Å; E1006-V1008 VanDerWaalsContact C-N 3.31Å; E1006-V1008 PolarHBondContact O-N 3.26Å; V1008-L1012 WeakPolarHBondContact O-CB 3.34Å; V1008-L1012 PolarHBondContact O-N 3.22Å
1009	E	90.5	Very high	87.5	Confident	63 Å²	63	52.4 Å²	52.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-44.3	179.2	-73.6	179.1	175.5	0	0	111.5	A942 K945 M1005 E1006 L1012 Q1013	A942-E1009 HydrophobicContact CB-CG 3.75Å; K945-E1009 IonicContact NZ-OE1 3.48Å; K945-E1009 PolarHBondContact NZ-OE1 3.09Å; M1005-E1009 HydrophobicContact CE-CG 4.07Å; M1005-E1009 WeakPolarHBondContact CE-OE1 3.32Å; M1005-E1009 WeakPolarHBondContact O-CG 3.37Å; M1005-E1009 PolarHBondContact O-N 2.94Å; E1006-E1009 PolarHBondContact O-N 3.25Å; E1009-L1012 PolarHBondContact O-N 2.97Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.26Å; E1009-Q1013 PolarHBondContact O-N 2.93Å
1010	E	88.8	Confident	86.5	Confident	136 Å²	136	58 Å²	58	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-50.1	175	-74.5	-179.9	175.1	0	0	111.6	E1006 L1012 Q1013 V1014	E1006-E1010 WeakPolarHBondContact O-CG 3.25Å; E1006-E1010 PolarHBondContact O-N 2.72Å; E1010-L1012 VanDerWaalsContact C-N 3.29Å; E1010-L1012 PolarHBondContact O-N 3.47Å; E1010-Q1013 PolarHBondContact O-N 2.68Å; E1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; E1010-V1014 PolarHBondContact O-N 2.85Å
1011	A	87.4	Confident	85	Confident	18 Å²	18	59.7 Å²	59.7	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-34.6	-179.8	0	0	0	0	0	112.1	M988 Y1002 T1007 V1014 A1015	M988-A1011 HydrophobicContact CE-CB 3.55Å; M988-A1011 HydrophobicContact CG-CB 4.31Å; Y1002-A1011 HydrophobicContact CE1-CB 4.12Å; Y1002-A1011 HydrophobicContact CE2-CB 4.41Å; Y1002-A1011 WeakPolarHBondContact OH-CB 3.43Å; T1007-A1011 WeakPolarHBondContact O-CB 3.38Å; T1007-A1011 PolarHBondContact O-N 2.88Å; A1011-V1014 PolarHBondContact O-N 2.84Å; A1011-A1015 PolarHBondContact O-N 3.46Å
1012	L	89.4	Confident	83.1	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-40.8	174.7	-175	60.6	0	0	0	111	F939 A942 L946 F954 M988 V1008 E1009 E1010 A1015 I1016	F939-L1012 HydrophobicContact CE2-CD1 3.93Å; A942-L1012 HydrophobicContact CB-CD2 3.89Å; L946-L1012 HydrophobicContact CD1-CD2 3.94Å; L946-L1012 HydrophobicContact CD1-CG 4.39Å; L946-L1012 HydrophobicContact CD2-CD2 4.41Å; L946-L1012 HydrophobicContact CG-CD2 4.35Å; F954-L1012 HydrophobicContact CD2-CD1 3.55Å; F954-L1012 HydrophobicContact CE2-CD1 3.63Å; M988-L1012 HydrophobicContact CE-CB 4.14Å; V1008-L1012 WeakPolarHBondContact O-CB 3.34Å; V1008-L1012 PolarHBondContact O-N 3.22Å; E1009-L1012 PolarHBondContact O-N 2.97Å; E1010-L1012 VanDerWaalsContact C-N 3.29Å; E1010-L1012 PolarHBondContact O-N 3.47Å; L1012-A1015 PolarHBondContact O-N 3.14Å; L1012-I1016 HydrophobicContact CD1-CD1 4.37Å; L1012-I1016 HydrophobicContact CG-CD1 3.98Å; L1012-I1016 WeakPolarHBondContact O-CB 3.42Å; L1012-I1016 WeakPolarHBondContact O-CD1 3.41Å; L1012-I1016 VanDerWaalsContact O-CG1 3.24Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.19Å; L1012-I1016 PolarHBondContact O-N 2.65Å
1013	Q	88.9	Confident	80.8	Confident	59 Å²	59	63.2 Å²	63.2	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-67.6	-37.4	175.1	-76.1	-63.8	4.6	0	0	112.9	E950 E1009 E1010 A1015 I1016 N1017	E950-Q1013 PolarHBondContact OE1-NE2 3.34Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.26Å; E1009-Q1013 PolarHBondContact O-N 2.93Å; E1010-Q1013 PolarHBondContact O-N 2.68Å; Q1013-A1015 VanDerWaalsContact C-N 3.31Å; Q1013-A1015 PolarHBondContact O-N 2.88Å; Q1013-I1016 PolarHBondContact O-N 3.37Å; Q1013-N1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-N1017 VanDerWaalsContact O-CG 3.27Å; Q1013-N1017 PolarHBondContact O-N 2.88Å; Q1013-N1017 PolarHBondContact O-ND2 3.26Å
1014	V	87.3	Confident	80.5	Confident	81 Å²	81	62 Å²	62	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-41.8	172.5	172.4	0	0	0	0	110.8	E1010 A1011 N1018	E1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; E1010-V1014 PolarHBondContact O-N 2.85Å; A1011-V1014 PolarHBondContact O-N 2.84Å; V1014-N1018 WeakPolarHBondContact O-CB 3.47Å; V1014-N1018 PolarHBondContact O-N 3Å; V1014-N1018 PolarHBondContact O-ND2 2.8Å
1015	A	85.8	Confident	80	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-42.4	176.5	0	0	0	0	0	112.6	F957 M988 A1011 L1012 Q1013 N1017 N1018 N1019	F957-A1015 HydrophobicContact CD1-CB 4.12Å; F957-A1015 HydrophobicContact CD2-CB 4.42Å; F957-A1015 HydrophobicContact CE1-CB 3.83Å; F957-A1015 HydrophobicContact CE2-CB 4.16Å; F957-A1015 HydrophobicContact CG-CB 4.4Å; F957-A1015 HydrophobicContact CZ-CB 3.84Å; M988-A1015 HydrophobicContact CB-CB 4.32Å; A1011-A1015 PolarHBondContact O-N 3.46Å; L1012-A1015 PolarHBondContact O-N 3.14Å; Q1013-A1015 VanDerWaalsContact C-N 3.31Å; Q1013-A1015 PolarHBondContact O-N 2.88Å; A1015-N1017 VanDerWaalsContact C-N 3.35Å; A1015-N1017 PolarHBondContact O-N 3.36Å; A1015-N1018 CarbonylContact O-C 3.58Å; A1015-N1018 PolarHBondContact O-N 3.2Å; A1015-N1019 PolarHBondContact O-N 2.75Å
1016	I	87.8	Confident	79.3	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-38.8	178	-73.9	165.8	0	0	0	112	L946 E950 K953 F954 L1012 Q1013 N1019	L946-I1016 HydrophobicContact CD1-CD1 3.58Å; L946-I1016 HydrophobicContact CD2-CD1 3.91Å; L946-I1016 HydrophobicContact CG-CD1 4.4Å; E950-I1016 HydrophobicContact CB-CD1 4.37Å; K953-I1016 HydrophobicContact CB-CG2 3.71Å; K953-I1016 HydrophobicContact CD-CG2 3.84Å; K953-I1016 HydrophobicContact CG-CG2 4.47Å; F954-I1016 HydrophobicContact CB-CD1 4.4Å; F954-I1016 HydrophobicContact CB-CG1 3.99Å; F954-I1016 HydrophobicContact CD2-CG1 4.47Å; L1012-I1016 HydrophobicContact CD1-CD1 4.37Å; L1012-I1016 HydrophobicContact CG-CD1 3.98Å; L1012-I1016 WeakPolarHBondContact O-CB 3.42Å; L1012-I1016 WeakPolarHBondContact O-CD1 3.41Å; L1012-I1016 VanDerWaalsContact O-CG1 3.24Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.19Å; L1012-I1016 PolarHBondContact O-N 2.65Å; Q1013-I1016 PolarHBondContact O-N 3.37Å; I1016-N1019 WeakPolarHBondContact O-CB 3.43Å; I1016-N1019 PolarHBondContact O-ND2 3.14Å
1017	N	84.7	Confident	78.7	Confident	106 Å²	106	58.2 Å²	58.2	57%	0.567	35%	0.345	S	S	*	.	H	α-helix	trans	-79	-22.8	-180	-69.5	-35.8	0	0	0	113	Q1013 A1015	Q1013-N1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-N1017 VanDerWaalsContact O-CG 3.27Å; Q1013-N1017 PolarHBondContact O-N 2.88Å; Q1013-N1017 PolarHBondContact O-ND2 3.26Å; A1015-N1017 VanDerWaalsContact C-N 3.35Å; A1015-N1017 PolarHBondContact O-N 3.36Å
1018	N	81.4	Confident	78.2	Confident	106 Å²	106	59.1 Å²	59.1	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	47.4	174.8	-60.7	-60.9	0	0	0	111.3	V1014 A1015 R1020	V1014-N1018 WeakPolarHBondContact O-CB 3.47Å; V1014-N1018 PolarHBondContact O-N 3Å; V1014-N1018 PolarHBondContact O-ND2 2.8Å; A1015-N1018 CarbonylContact O-C 3.58Å; A1015-N1018 PolarHBondContact O-N 3.2Å; N1018-R1020 VanDerWaalsContact C-N 3.26Å; N1018-R1020 PolarHBondContact O-N 3.38Å
1019	N	69.2	Low	77.4	Confident	30 Å²	30	63.1 Å²	63.1	16%	0.16	37%	0.373	C	S	.	.			trans	-82.4	6.4	-173.9	67	-1.2	0	0	0	115.2	K953 F957 A1015 I1016	K953-N1019 WeakPolarHBondContact CB-ND2 3.43Å; F957-N1019 HydrophobicContact CB-CB 3.89Å; A1015-N1019 PolarHBondContact O-N 2.75Å; I1016-N1019 WeakPolarHBondContact O-CB 3.43Å; I1016-N1019 PolarHBondContact O-ND2 3.14Å
1020	R	68.3	Low	76.4	Confident	117 Å²	117	63.1 Å²	63.1	44%	0.442	38%	0.379	S	S	.	.	S	Bend	trans	-122.6	133.7	176.4	-64	-177.8	-178.3	-168.3	-2.1	108.7	N1018	N1018-R1020 VanDerWaalsContact C-N 3.26Å; N1018-R1020 PolarHBondContact O-N 3.38Å
1021	G	59.2	Low	75.5	Confident	36 Å²	36	57.5 Å²	57.5	37%	0.371	36%	0.359	S	S	.	.	S	Bend	trans	117.6	128.8	-174.4	0	0	0	0	0	112.9	R686 E727 G1023	R686-G1021 VanDerWaalsContact CZ-CA 3.5Å; E727-G1021 PolarHBondContact OE1-N 3.24Å; G1021-G1023 PolarHBondContact O-N 3.44Å
1022	F	51.2	Low	74.5	Confident	56 Å²	56	60.8 Å²	60.8	25%	0.246	38%	0.376	C	S	.	.			trans	-81.2	64.9	163	-72.5	-82.4	0	0	0	110.1	V724 E727 T992	V724-F1022 VanDerWaalsContact CA-CZ 3.44Å; V724-F1022 HydrophobicContact CB-CE2 3.9Å; V724-F1022 HydrophobicContact CB-CZ 3.92Å; V724-F1022 HydrophobicContact CG1-CE2 3.99Å; V724-F1022 HydrophobicContact CG2-CD2 4.28Å; V724-F1022 HydrophobicContact CG2-CE1 3.97Å; V724-F1022 HydrophobicContact CG2-CE2 3.56Å; V724-F1022 HydrophobicContact CG2-CZ 3.41Å; V724-F1022 VanDerWaalsContact CG2-CZ 3.41Å; E727-F1022 HydrophobicContact CB-CE2 4.43Å; E727-F1022 WeakPolarHBondContact OE2-CD2 3.24Å; E727-F1022 WeakPolarHBondContact OE2-CE2 3.23Å; E727-F1022 WeakPolarHBondContact OE2-CZ 3.28Å; T992-F1022 HydrophobicContact CG2-CE1 4.34Å; T992-F1022 WeakPolarHBondContact OG1-CE1 3.41Å
1023	G	40.6	Very low	73.1	Confident	130 Å²	130	66.1 Å²	66.1	100%	1.34	41%	0.41	S	S	*	.			trans	49.7	0	168	0	0	0	0	0	116.3	G1021	G1021-G1023 PolarHBondContact O-N 3.44Å

Retrieved 1,023 of 1,023 residues in 6462.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).