A0A5K4F1N0_SCHMA Loading...

CUB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1N0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 925 aa.

						>A0A5K4F1N0_SCHMA|A0A5K4F1N0
MTNLPHSRGTYSFESQQCEITKKEQKYDDGNICFGPLHRYVHLNDAANSQIFTFLLLPHLLCGLVNYVETQVFQYAEHEWFVRFERTDTHLGFYLELITQKSENCETTLITSSQIPINKSDHNVAKRPTQWKTITLDFEFTIKNRNFFSQNECFSKSNCTFTQESCRHGRKNAIDLSTLSSKRFLFDDGKCIIELGLRNPHVCIKLQANQVEDPTNHMLLKKGRKRTHNNGSVVLRRMDNETITFPDTIHFETDHFSYAGDTWALTIDIEPYRDVLKNLNFDSDNNHDVCADVEICLTKTSQHKTDNYTYYDVEKPLGTQWTRLLCNAYLPGECHTGLMKFLIGSQGWPLKAHCCTFDEQTNEVKQQQLKQGEKSRINILKFSSCEYLEKGEARTHQSAVAFLLSTVSSKFCITLEMIFYERLTVVNFPINNLDNFNHVDSCLIMDPFSLPWRLFLNRSSRLARVGLIPEQKTDLQHEPEYMKISEKSSKIQDKHSHSERSTIPIGYLYLFGCKLRIRGYQSNKNNSCVIEPVGKEILQIACKKSDFYNESLSPNRFQHSGINVPQNNLNILLIRNLPKYLLKNNDAELLQSLCNTSVMDIGNKISKRLLRKANQISSVQVAMEITCQELTESNMGILNPKTGTITIEIQWLFRHQIYIDTLYQTDEIGARQYHQMRNELIRITKEKDELERQLMGFRMGLVQIDSRTHGPKSMLPLESIPGLVGHSRTTSIPSGENWQDSSRYSEKAVLQQPCYKMNNPVSNVKYEYNSQHTKSHATFSPSNYSSDKFKICKPYGSCSTYHMENNMSHSLLDYESLDESTPRASYPIYQPTSKQPLSFKCGLSEKRKQFIYSKGNWKTCETVKYCPDSDFNSVHSPRFNPWKPSLNKYCSQGFVEANFSPLYTSESSTSNVFNSRSEDEFSFIF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	27.8	Very low	240 Å²	240	160.8 Å²	160.8	100%	1.182	85%	0.849	S	S	*	*				0	88.9	0	-75.7	-174.5	174.3	0	0	108.2
2	T	31.5	Very low	27.4	Very low	132 Å²	132	156.3 Å²	156.3	81%	0.81	84%	0.84	S	S	*	*			trans	-139.9	92.4	176.5	40.9	0	0	0	0	107.2	L4	T2-L4 PolarHBondContact O-N 3.27Å
3	N	26.2	Very low	27.1	Very low	173 Å²	173	159.5 Å²	159.5	93%	0.925	84%	0.842	S	S	*	*			trans	-67.8	118.9	167.7	-73.1	-30	0	0	0	108
4	L	29.2	Very low	26.9	Very low	156 Å²	156	159.7 Å²	159.7	82%	0.817	84%	0.836	S	S	*	*			trans	-126.7	142.3	161.2	-94.4	141.9	0	0	0	108.7	T2	T2-L4 PolarHBondContact O-N 3.27Å
5	P	31	Very low	26.7	Very low	115 Å²	115	155.5 Å²	155.5	75%	0.747	83%	0.825	S	S	*	*			trans	-90	143.6	-151.9	2	17.6	0	0	0	112.6	S7	P5-S7 PolarHBondContact O-N 3.08Å; P5-S7 VanDerWaalsContact O-N 3.09Å
6	H	28	Very low	26.6	Very low	189 Å²	189	156.3 Å²	156.3	88%	0.875	82%	0.823	S	S	*	*			trans	-67.7	97	170.4	-66.6	-56.7	0	0	0	111.4	R8	H6-R8 PolarHBondContact O-N 3.25Å
7	S	27.2	Very low	26.4	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	82%	0.823	S	S	*	*			trans	-75.3	100.2	161.8	56.6	0	0	0	0	109	P5 G9	P5-S7 PolarHBondContact O-N 3.08Å; P5-S7 VanDerWaalsContact O-N 3.09Å; S7-G9 VanDerWaalsContact C-N 3.34Å; S7-G9 PolarHBondContact O-N 3.48Å
8	R	27.6	Very low	26.2	Very low	240 Å²	240	154.6 Å²	154.6	91%	0.906	82%	0.817	S	S	*	*			trans	-68.3	90	167.1	-80.4	-179.1	173	176.6	-2.2	109	H6 T10	H6-R8 PolarHBondContact O-N 3.25Å; R8-T10 PolarHBondContact O-N 3.43Å
9	G	25.9	Very low	26.1	Very low	55 Å²	55	155.7 Å²	155.7	57%	0.567	82%	0.817	S	S	*	*			trans	-74.4	106.1	164.1	0	0	0	0	0	109.3	S7 Y11	S7-G9 VanDerWaalsContact C-N 3.34Å; S7-G9 PolarHBondContact O-N 3.48Å; G9-Y11 PolarHBondContact O-N 3.36Å; G9-Y11 VanDerWaalsContact O-N 3.12Å
10	T	25.4	Very low	25.9	Very low	140 Å²	140	155 Å²	155	86%	0.859	81%	0.812	S	S	*	*			trans	-66.1	97.9	165.3	36.5	0	0	0	0	108.8	R8	R8-T10 PolarHBondContact O-N 3.43Å
11	Y	23	Very low	25.8	Very low	213 Å²	213	153 Å²	153	84%	0.835	81%	0.807	S	S	*	*			trans	-86.1	108.9	166.4	-76.6	-84.3	0	0	0	108.4	G9 F13	G9-Y11 PolarHBondContact O-N 3.36Å; G9-Y11 VanDerWaalsContact O-N 3.12Å; Y11-F13 PolarHBondContact O-N 3.29Å
12	S	23.2	Very low	25.4	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	78%	0.783	S	S	*	*			trans	-67.1	112.1	169.2	46.2	0	0	0	0	108.9	E14	S12-E14 VanDerWaalsContact C-N 3.33Å; S12-E14 PolarHBondContact O-N 3.49Å
13	F	23.3	Very low	25	Very low	198 Å²	198	151.9 Å²	151.9	87%	0.868	78%	0.784	S	S	*	*			trans	-66.6	93.1	164.9	-97.3	-95.8	0	0	0	108.2	Y11 S15	Y11-F13 PolarHBondContact O-N 3.29Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.05Å; F13-S15 VanDerWaalsContact O-N 3.1Å
14	E	24.4	Very low	24.8	Very low	162 Å²	162	149.5 Å²	149.5	76%	0.757	77%	0.768	S	S	*	*			trans	-73.3	91.8	156	-79.2	-175.6	166.8	0	0	106.9	S12 Q16	S12-E14 VanDerWaalsContact C-N 3.33Å; S12-E14 PolarHBondContact O-N 3.49Å; E14-Q16 VanDerWaalsContact C-N 3.27Å; E14-Q16 PolarHBondContact O-N 3.23Å
15	S	24.1	Very low	24.7	Very low	96 Å²	96	150.8 Å²	150.8	67%	0.671	77%	0.769	S	S	*	*			trans	-65.1	91.7	168.5	51.4	0	0	0	0	108	F13 Q17	F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.05Å; F13-S15 VanDerWaalsContact O-N 3.1Å; S15-Q17 PolarHBondContact O-N 3.19Å
16	Q	24.9	Very low	24.3	Very low	169 Å²	169	152.3 Å²	152.3	79%	0.79	76%	0.764	S	S	*	*			trans	-63.9	93.7	165.1	-73.3	-177.4	-3.5	0	0	107.5	E14 C18	E14-Q16 VanDerWaalsContact C-N 3.27Å; E14-Q16 PolarHBondContact O-N 3.23Å; Q16-C18 PolarHBondContact O-N 3.23Å
17	Q	24	Very low	24.4	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.822	76%	0.758	S	S	*	*			trans	-71.7	86.2	176.6	-154.5	156.9	0.8	0	0	106.7	S15 E19	S15-Q17 PolarHBondContact O-N 3.19Å; Q17-E19 PolarHBondContact O-N 3.23Å
18	C	21.4	Very low	24.4	Very low	105 Å²	105	152 Å²	152	71%	0.709	75%	0.747	S	S	*	*			trans	-62	105.8	168.4	-75.6	0	0	0	0	107.1	Q16 I20	Q16-C18 PolarHBondContact O-N 3.23Å; C18-I20 PolarHBondContact O-N 3.32Å
19	E	24.2	Very low	24.7	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	74%	0.739	S	S	*	*			trans	-61.4	91.7	166.4	-74.9	-175.5	154.9	0	0	107.9	Q17 T21	Q17-E19 PolarHBondContact O-N 3.23Å; E19-T21 PolarHBondContact O-N 3.32Å
20	I	22.9	Very low	25.1	Very low	140 Å²	140	147 Å²	147	72%	0.718	74%	0.738	S	S	*	*			trans	-66.8	91.1	165.7	-58.1	170.4	0	0	0	105	C18 K22	C18-I20 PolarHBondContact O-N 3.32Å; I20-K22 HydrophobicContact CG2-CG 4.02Å; I20-K22 PolarHBondContact O-N 2.97Å
21	T	23	Very low	25.7	Very low	115 Å²	115	145.6 Å²	145.6	71%	0.706	73%	0.725	S	S	*	*			trans	-65.7	82.4	163.9	49.3	0	0	0	0	107.1	E19 K23	E19-T21 PolarHBondContact O-N 3.32Å; T21-K23 PolarHBondContact O-N 3.02Å
22	K	22.4	Very low	27	Very low	157 Å²	157	136.6 Å²	136.6	68%	0.683	69%	0.691	S	S	*	*			trans	-56.4	91.8	157.7	-75.7	-174.9	173.5	-173.2	0	106.1	I20 E24	I20-K22 HydrophobicContact CG2-CG 4.02Å; I20-K22 PolarHBondContact O-N 2.97Å; K22-E24 HydrophobicContact CB-CG 4.38Å; K22-E24 PolarHBondContact O-N 3.01Å
23	K	23.3	Very low	28.5	Very low	190 Å²	190	132.5 Å²	132.5	83%	0.826	66%	0.663	S	S	*	*			trans	-71.2	69.6	156.2	-80.3	-176.2	176	176.5	0	106.2	T21 Q25	T21-K23 PolarHBondContact O-N 3.02Å; K23-Q25 VanDerWaalsContact C-N 3.26Å; K23-Q25 PolarHBondContact O-N 3.19Å
24	E	22.5	Very low	30.5	Very low	124 Å²	124	123.5 Å²	123.5	58%	0.579	62%	0.623	S	S	*	*			trans	-53.8	106.2	152.4	-77.6	173.9	-174.7	0	0	104.2	K22 K26	K22-E24 HydrophobicContact CB-CG 4.38Å; K22-E24 PolarHBondContact O-N 3.01Å; E24-K26 HydrophobicContact CB-CG 4.32Å; E24-K26 PolarHBondContact O-N 3.32Å
25	Q	26.4	Very low	32.9	Very low	182 Å²	182	115.8 Å²	115.8	85%	0.85	59%	0.587	S	S	*	*			trans	-66	77.7	162.5	-80.8	177.7	-32.6	0	0	105.8	K23 Y27	K23-Q25 VanDerWaalsContact C-N 3.26Å; K23-Q25 PolarHBondContact O-N 3.19Å; Q25-Y27 PolarHBondContact O-N 3.38Å; Q25-Y27 VanDerWaalsContact O-N 3.08Å
26	K	22.3	Very low	35.7	Very low	147 Å²	147	111.3 Å²	111.3	64%	0.639	56%	0.556	S	S	*	*			trans	-56.3	115.8	162.6	-75.5	-177.9	176.8	177.4	0	104.9	E24 D28	E24-K26 HydrophobicContact CB-CG 4.32Å; E24-K26 PolarHBondContact O-N 3.32Å; K26-D28 PolarHBondContact O-N 3.33Å
27	Y	30.5	Very low	38.6	Very low	190 Å²	190	103.4 Å²	103.4	75%	0.745	52%	0.519	S	S	*	.			trans	-60.8	84	159.2	-86.6	-96.3	0	0	0	106.2	Q25 D29	Q25-Y27 PolarHBondContact O-N 3.38Å; Q25-Y27 VanDerWaalsContact O-N 3.08Å; Y27-D29 VanDerWaalsContact C-N 3.33Å; Y27-D29 PolarHBondContact O-N 3.35Å
28	D	28.5	Very low	41.3	Very low	108 Å²	108	96.2 Å²	96.2	58%	0.578	49%	0.485	S	S	*	.			trans	-66.2	104.1	160.5	-77.8	-24.5	0	0	0	105	K26 G30 N31	K26-D28 PolarHBondContact O-N 3.33Å; D28-G30 PolarHBondContact O-N 3.42Å; D28-N31 PolarHBondContact O-N 2.91Å; D28-N31 VanDerWaalsContact O-N 3.09Å
29	D	32.8	Very low	44.2	Very low	138 Å²	138	95.5 Å²	95.5	74%	0.738	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	25.8	179.5	-112.7	-3.6	0	0	0	113.4	Y27	Y27-D29 VanDerWaalsContact C-N 3.33Å; Y27-D29 PolarHBondContact O-N 3.35Å
30	G	34.7	Very low	47.3	Very low	53 Å²	53	87.5 Å²	87.5	55%	0.546	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	13	176.1	0	0	0	0	0	113.5	D28 I32	D28-G30 PolarHBondContact O-N 3.42Å; G30-I32 PolarHBondContact O-N 3.03Å
31	N	38.2	Very low	50.3	Low	111 Å²	111	83.1 Å²	83.1	59%	0.594	41%	0.409	S	S	*	.			trans	-58.4	106.5	176.7	-117.1	-8.4	0	0	0	109.5	D28 C33	D28-N31 PolarHBondContact O-N 2.91Å; D28-N31 VanDerWaalsContact O-N 3.09Å; N31-C33 PolarHBondContact O-N 3.1Å
32	I	49	Very low	53.4	Low	23 Å²	23	79.1 Å²	79.1	12%	0.118	38%	0.383	C	S	.	.			trans	-59.1	109.1	-179	-70.3	-136	0	0	0	108.7	G30 F34 L572 L573 N576	G30-I32 PolarHBondContact O-N 3.03Å; I32-F34 HydrophobicContact CB-CZ 4.25Å; I32-F34 HydrophobicContact CG2-CD1 4.29Å; I32-F34 HydrophobicContact CG2-CE1 3.54Å; I32-F34 HydrophobicContact CG2-CE2 4.47Å; I32-F34 HydrophobicContact CG2-CZ 3.62Å; I32-F34 VanDerWaalsContact O-CE2 3.24Å; I32-F34 WeakPolarHBondContact O-CE2 3.12Å; I32-L572 WeakPolarHBondContact CD1-O 3.47Å; I32-L573 HydrophobicContact CG2-CB 3.95Å; I32-L573 HydrophobicContact CG2-CD2 3.29Å; I32-L573 HydrophobicContact CG2-CG 4.16Å; I32-N576 HydrophobicContact CD1-CB 3.47Å; I32-N576 VanDerWaalsContact CD1-CB 3.47Å; I32-N576 VanDerWaalsContact CD1-ND2 3.31Å; I32-N576 WeakPolarHBondContact CD1-ND2 3.37Å; I32-N576 HydrophobicContact CG1-CB 3.93Å
33	C	54.9	Low	56.4	Low	22 Å²	22	76.2 Å²	76.2	15%	0.149	37%	0.374	C	S	.	.			trans	-82.5	125.1	177.2	175.3	0	0	0	0	110.4	N31 G35 E69 T70 Q71	N31-C33 PolarHBondContact O-N 3.1Å; C33-G35 PolarHBondContact SG-N 3.05Å; C33-G35 VanDerWaalsContact SG-N 3.38Å; C33-G35 PolarHBondContact SG-O 3.41Å; C33-E69 PolarHBondContact SG-O 3.4Å; C33-T70 VanDerWaalsContact SG-CA 3.59Å; C33-Q71 PolarHBondContact SG-N 2.74Å
34	F	65.7	Low	59.3	Low	8 Å²	8	70.4 Å²	70.4	4%	0.035	35%	0.352	C	S	.	.	S	Bend	trans	-88.9	-2.9	179.8	-54.9	-73.1	0	0	0	113.8	I32 L57 V68 L573 L577 L581	I32-F34 HydrophobicContact CB-CZ 4.25Å; I32-F34 HydrophobicContact CG2-CD1 4.29Å; I32-F34 HydrophobicContact CG2-CE1 3.54Å; I32-F34 HydrophobicContact CG2-CE2 4.47Å; I32-F34 HydrophobicContact CG2-CZ 3.62Å; I32-F34 VanDerWaalsContact O-CE2 3.24Å; I32-F34 WeakPolarHBondContact O-CE2 3.12Å; F34-L57 VanDerWaalsContact O-CD1 3.31Å; F34-L57 WeakPolarHBondContact O-CD1 3.46Å; F34-V68 VanDerWaalsContact C-CG1 3.45Å; F34-V68 HydrophobicContact CB-CB 4.06Å; F34-V68 HydrophobicContact CB-CG1 3.42Å; F34-V68 VanDerWaalsContact CB-CG1 3.42Å; F34-V68 HydrophobicContact CB-CG2 3.55Å; F34-V68 HydrophobicContact CD2-CG2 4.49Å; F34-V68 HydrophobicContact CG-CG2 4.24Å; F34-L573 HydrophobicContact CE1-CB 4.3Å; F34-L577 HydrophobicContact CD1-CD1 4.02Å; F34-L577 HydrophobicContact CE1-CD1 3.17Å; F34-L577 HydrophobicContact CE1-CG 4.48Å; F34-L577 HydrophobicContact CE2-CD1 3.82Å; F34-L577 HydrophobicContact CZ-CD1 3.07Å; F34-L577 HydrophobicContact CZ-CG 4.19Å; F34-L581 HydrophobicContact CD2-CD1 4.07Å; F34-L581 HydrophobicContact CE2-CD1 3.46Å; F34-L581 VanDerWaalsContact CE2-CD1 3.46Å; F34-L581 HydrophobicContact CZ-CD1 4.36Å
35	G	75.5	Confident	62.4	Low	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-128.5	66.8	171.6	0	0	0	0	0	111.5	C33 T70 Q71	C33-G35 PolarHBondContact SG-N 3.05Å; C33-G35 VanDerWaalsContact SG-N 3.38Å; C33-G35 PolarHBondContact SG-O 3.41Å; G35-T70 VanDerWaalsContact O-CA 3.25Å; G35-T70 WeakPolarHBondContact O-CA 3.31Å; G35-T70 VanDerWaalsContact O-CB 3.24Å; G35-T70 WeakPolarHBondContact O-CB 3.44Å; G35-T70 WeakPolarHBondContact O-CG2 3.47Å; G35-Q71 PolarHBondContact O-N 2.63Å
36	P	82	Confident	65.3	Low	3 Å²	3	64.8 Å²	64.8	2%	0.019	35%	0.349	C	S	.	.			trans	-62.9	141.5	-178.8	26.5	-35.4	0	0	0	111.7	H38 F54 L55 L57 Y507 Y658	P36-H38 PolarHBondContact O-N 2.85Å; P36-F54 WeakPolarHBondContact O-CA 3.45Å; P36-L55 WeakPolarHBondContact CD-O 3.49Å; P36-L55 PolarHBondContact O-N 2.92Å; P36-L57 HydrophobicContact CG-CD1 4.35Å; P36-Y507 HydrophobicContact CB-CE1 4.13Å; P36-Y658 HydrophobicContact CB-CD1 4.23Å; P36-Y658 HydrophobicContact CB-CG 4Å; P36-Y658 HydrophobicContact CG-CD1 4.02Å; P36-Y658 HydrophobicContact CG-CG 4.26Å
37	L	85.7	Confident	68.5	Low	3 Å²	3	58.8 Å²	58.8	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	109.4	172.2	-179.9	66.3	0	0	0	108.5	R39 F52 F54 H655 I657 Y658	L37-R39 WeakPolarHBondContact CD1-O 3.4Å; L37-F52 HydrophobicContact CD1-CB 3.78Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CG 4.39Å; L37-F52 HydrophobicContact CD2-CD1 4.26Å; L37-F54 HydrophobicContact CB-CD1 4.2Å; L37-F54 HydrophobicContact CB-CE1 4.01Å; L37-F54 HydrophobicContact CD1-CD1 4.05Å; L37-F54 HydrophobicContact CD1-CE1 3.66Å; L37-F54 HydrophobicContact CD1-CZ 4.01Å; L37-F54 HydrophobicContact CG-CE1 4.43Å; L37-H655 HydrophobicContact CD2-CB 3.96Å; L37-I657 HydrophobicContact CD2-CG1 4.41Å; L37-I657 CarbonylContact O-C 3.48Å; L37-I657 VanDerWaalsContact O-CA 3.29Å; L37-I657 WeakPolarHBondContact O-CA 3.48Å; L37-Y658 PolarHBondContact O-N 2.83Å
38	H	81.8	Confident	71.4	Confident	25 Å²	25	52.4 Å²	52.4	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-31.9	-177.4	179.6	51.8	0	0	0	113	P36 T53 L55 I657 Y658 T665	P36-H38 PolarHBondContact O-N 2.85Å; H38-T53 WeakPolarHBondContact CA-O 3.41Å; H38-T53 PolarHBondContact N-O 3.46Å; H38-L55 HydrophobicContact CB-CB 4.34Å; H38-I657 WeakPolarHBondContact O-CG2 3.45Å; H38-Y658 WeakPolarHBondContact CA-O 3.45Å; H38-Y658 PolarHBondContact ND1-O 2.8Å; H38-T665 WeakPolarHBondContact NE2-CB 3.44Å; H38-T665 PolarHBondContact NE2-OG1 3.15Å
39	R	83.1	Confident	74.5	Confident	89 Å²	89	48 Å²	48	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149	-180	-172.7	178.7	68	166.3	2	110.9	L37 V41 T53 E194	L37-R39 WeakPolarHBondContact CD1-O 3.4Å; R39-V41 HydrophobicContact CG-CG2 4.36Å; R39-T53 PolarHBondContact N-O 3.37Å; R39-T53 PolarHBondContact NE-OG1 3.23Å; R39-T53 PolarHBondContact O-N 2.87Å; R39-E194 IonicContact CZ-OE1 3.95Å; R39-E194 IonicContact NH2-OE1 3.7Å; R39-E194 PolarHBondContact NH2-OE1 3.45Å
40	Y	87.3	Confident	77.4	Confident	9 Å²	9	42.3 Å²	42.3	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.9	173.8	171.4	-101.9	0	0	0	110	H42 Q50 I51 F52 L510 F653 H655	Y40-H42 HydrophobicContact CE1-CB 3.89Å; Y40-Q50 HydrophobicContact CE2-CB 4.19Å; Y40-Q50 VanDerWaalsContact OH-CD 3.23Å; Y40-Q50 PolarHBondContact OH-OE1 3.21Å; Y40-I51 WeakPolarHBondContact CA-O 3.41Å; Y40-F52 AromaticContact CD2-CD1 3.73Å; Y40-F52 HydrophobicContact CD2-CD1 3.73Å; Y40-F52 AromaticContact CD2-CE1 3.47Å; Y40-F52 HydrophobicContact CD2-CE1 3.47Å; Y40-F52 VanDerWaalsContact CD2-CE1 3.47Å; Y40-F52 HydrophobicContact CD2-CG 4.44Å; Y40-F52 AromaticContact CD2-CZ 4Å; Y40-F52 HydrophobicContact CD2-CZ 4Å; Y40-F52 HydrophobicContact CE2-CD1 4.23Å; Y40-F52 AromaticContact CE2-CE1 3.54Å; Y40-F52 HydrophobicContact CE2-CE1 3.54Å; Y40-F52 HydrophobicContact CE2-CE2 4.37Å; Y40-F52 AromaticContact CE2-CZ 3.63Å; Y40-F52 HydrophobicContact CE2-CZ 3.63Å; Y40-L510 HydrophobicContact CD1-CD2 3.98Å; Y40-F653 AromaticContact CD1-CD2 3.97Å; Y40-F653 HydrophobicContact CD1-CD2 3.97Å; Y40-F653 AromaticContact CD1-CE2 3.85Å; Y40-F653 HydrophobicContact CD1-CE2 3.85Å; Y40-F653 HydrophobicContact CD1-CG 4.48Å; Y40-F653 HydrophobicContact CD1-CZ 4.26Å; Y40-F653 HydrophobicContact CE1-CB 4.27Å; Y40-F653 AromaticContact CE1-CD1 3.71Å; Y40-F653 HydrophobicContact CE1-CD1 3.71Å; Y40-F653 AromaticContact CE1-CD2 3.44Å; Y40-F653 HydrophobicContact CE1-CD2 3.44Å; Y40-F653 VanDerWaalsContact CE1-CD2 3.44Å; Y40-F653 AromaticContact CE1-CE1 3.79Å; Y40-F653 HydrophobicContact CE1-CE1 3.79Å; Y40-F653 AromaticContact CE1-CE2 3.53Å; Y40-F653 HydrophobicContact CE1-CE2 3.53Å; Y40-F653 AromaticContact CE1-CG 3.53Å; Y40-F653 HydrophobicContact CE1-CG 3.53Å; Y40-F653 AromaticContact CE1-CZ 3.7Å; Y40-F653 HydrophobicContact CE1-CZ 3.7Å; Y40-F653 AromaticContact CZ-CG 3.98Å; Y40-H655 AromaticContact CD1-CD2 3.69Å; Y40-H655 AromaticContact CD2-CD2 3.62Å; Y40-H655 AromaticContact CD2-NE2 3.79Å; Y40-H655 AromaticContact CE1-CD2 3.74Å; Y40-H655 AromaticContact CE2-CD2 3.65Å; Y40-H655 AromaticContact CE2-NE2 3.39Å; Y40-H655 WeakPolarHBondContact CE2-NE2 3.24Å; Y40-H655 AromaticContact CG-CD2 3.61Å; Y40-H655 AromaticContact CZ-CD2 3.69Å; Y40-H655 AromaticContact CZ-NE2 3.51Å
41	V	86.1	Confident	80.2	Confident	48 Å²	48	41.9 Å²	41.9	29%	0.291	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.4	175.2	-177	0	0	0	0	109.3	R39 L43 Q50 I51	R39-V41 HydrophobicContact CG-CG2 4.36Å; V41-L43 HydrophobicContact CG1-CD2 4.04Å; V41-Q50 WeakPolarHBondContact O-CA 3.34Å; V41-I51 HydrophobicContact CB-CB 4.36Å; V41-I51 PolarHBondContact N-O 2.87Å; V41-I51 PolarHBondContact O-N 3.21Å
42	H	88.6	Confident	82.8	Confident	32 Å²	32	36.6 Å²	36.6	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.4	172.5	-175.5	76.9	0	0	0	109	Y40 N44 N48 Q50 F653	Y40-H42 HydrophobicContact CE1-CB 3.89Å; H42-N44 PolarHBondContact CD2-N 2.7Å; H42-N48 PolarHBondContact CE1-OD1 3.4Å; H42-N48 VanDerWaalsContact CE1-OD1 3.3Å; H42-Q50 VanDerWaalsContact ND1-CG 3.34Å; H42-Q50 WeakPolarHBondContact ND1-CG 3.45Å; H42-Q50 PolarHBondContact ND1-NE2 3.28Å; H42-F653 HydrophobicContact CB-CD1 4.37Å; H42-F653 HydrophobicContact CB-CE1 3.97Å
43	L	85.8	Confident	84.8	Confident	95 Å²	95	35.7 Å²	35.7	50%	0.497	20%	0.204	S	C	.	.			trans	-80.7	-17.2	-176	-64.6	-178.9	0	0	0	113.4	V41 D45 S49 I51	V41-L43 HydrophobicContact CG1-CD2 4.04Å; L43-D45 PolarHBondContact O-N 3.39Å; L43-S49 PolarHBondContact N-O 3.47Å; L43-I51 HydrophobicContact CD1-CD1 4.28Å
44	N	83.4	Confident	86.5	Confident	69 Å²	69	34.7 Å²	34.7	37%	0.369	20%	0.197	S	C	.	.			trans	51.3	37.9	-179.6	-167	45.9	0	0	0	112.6	H42 K514 E536 I537	H42-N44 PolarHBondContact CD2-N 2.7Å; N44-K514 PolarHBondContact OD1-NZ 3.4Å; N44-E536 PolarHBondContact ND2-OE2 2.72Å; N44-I537 HydrophobicContact CB-CD1 4.03Å
45	D	87.8	Confident	87.3	Confident	69 Å²	69	34.5 Å²	34.5	37%	0.369	20%	0.196	S	C	.	.	S	Bend	trans	-95.1	173	177.5	65.6	-22.2	0	0	0	111.4	L43 A47 N48 S49	L43-D45 PolarHBondContact O-N 3.39Å; D45-A47 PolarHBondContact O-N 2.79Å; D45-A47 VanDerWaalsContact O-N 3.13Å; D45-N48 PolarHBondContact O-N 3.15Å; D45-N48 PolarHBondContact OD1-N 3.1Å; D45-N48 VanDerWaalsContact OD1-N 3.14Å; D45-S49 VanDerWaalsContact OD1-CB 3.28Å; D45-S49 WeakPolarHBondContact OD1-CB 3.34Å; D45-S49 PolarHBondContact OD1-N 3.25Å; D45-S49 PolarHBondContact OD1-OG 3.43Å; D45-S49 WeakPolarHBondContact OD2-CB 3.29Å; D45-S49 PolarHBondContact OD2-OG 2.87Å
46	A	88.5	Confident	87.7	Confident	119 Å²	119	34.5 Å²	34.5	98%	0.983	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	179.3	0	0	0	0	0	113.5
47	A	88.9	Confident	87.5	Confident	21 Å²	21	34.7 Å²	34.7	17%	0.174	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.5	177.5	0	0	0	0	0	113.5	D45 S49 R198 N199	D45-A47 PolarHBondContact O-N 2.79Å; D45-A47 VanDerWaalsContact O-N 3.13Å; A47-S49 VanDerWaalsContact C-N 3.27Å; A47-S49 PolarHBondContact O-N 2.91Å; A47-R198 HydrophobicContact CB-CB 4.35Å; A47-N199 WeakPolarHBondContact CA-OD1 3.28Å; A47-N199 VanDerWaalsContact CB-OD1 3.28Å; A47-N199 WeakPolarHBondContact CB-OD1 3.44Å; A47-N199 PolarHBondContact O-N 3.43Å
48	N	90.5	Very high	86.9	Confident	55 Å²	55	35 Å²	35	29%	0.294	20%	0.199	S	C	.	.			trans	49.1	50	-174	-170.2	6.2	0	0	0	112.1	H42 D45 Q50 Y75 P200	H42-N48 PolarHBondContact CE1-OD1 3.4Å; H42-N48 VanDerWaalsContact CE1-OD1 3.3Å; D45-N48 PolarHBondContact O-N 3.15Å; D45-N48 PolarHBondContact OD1-N 3.1Å; D45-N48 VanDerWaalsContact OD1-N 3.14Å; N48-Q50 PolarHBondContact OD1-NE2 3.36Å; N48-Y75 PolarHBondContact O-OH 3.02Å; N48-P200 HydrophobicContact CB-CG 4.23Å
49	S	93.2	Very high	86.7	Confident	17 Å²	17	34 Å²	34	12%	0.119	19%	0.194	C	C	.	.			trans	-75.5	124.5	-176.6	-59.6	0	0	0	0	110.7	L43 D45 A47 L197	L43-S49 PolarHBondContact N-O 3.47Å; D45-S49 VanDerWaalsContact OD1-CB 3.28Å; D45-S49 WeakPolarHBondContact OD1-CB 3.34Å; D45-S49 PolarHBondContact OD1-N 3.25Å; D45-S49 PolarHBondContact OD1-OG 3.43Å; D45-S49 WeakPolarHBondContact OD2-CB 3.29Å; D45-S49 PolarHBondContact OD2-OG 2.87Å; A47-S49 VanDerWaalsContact C-N 3.27Å; A47-S49 PolarHBondContact O-N 2.91Å; S49-L197 CarbonylContact C-O 3.58Å; S49-L197 VanDerWaalsContact CA-O 3.29Å; S49-L197 WeakPolarHBondContact CA-O 3.12Å
50	Q	94.4	Very high	86.6	Confident	18 Å²	18	29.7 Å²	29.7	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.6	179.8	-62.2	-173.3	29.7	0	0	110.3	Y40 V41 H42 N48 F52 Y75 G196 L197	Y40-Q50 HydrophobicContact CE2-CB 4.19Å; Y40-Q50 VanDerWaalsContact OH-CD 3.23Å; Y40-Q50 PolarHBondContact OH-OE1 3.21Å; V41-Q50 WeakPolarHBondContact O-CA 3.34Å; H42-Q50 VanDerWaalsContact ND1-CG 3.34Å; H42-Q50 WeakPolarHBondContact ND1-CG 3.45Å; H42-Q50 PolarHBondContact ND1-NE2 3.28Å; N48-Q50 PolarHBondContact OD1-NE2 3.36Å; Q50-F52 HydrophobicContact CB-CE2 3.8Å; Q50-F52 HydrophobicContact CB-CZ 4.22Å; Q50-Y75 HydrophobicContact CB-CD2 4.01Å; Q50-Y75 HydrophobicContact CB-CE2 3.86Å; Q50-Y75 VanDerWaalsContact CD-CD2 3.48Å; Q50-Y75 HydrophobicContact CG-CD2 4.03Å; Q50-Y75 HydrophobicContact CG-CE2 3.74Å; Q50-G196 WeakPolarHBondContact O-CA 3.12Å; Q50-L197 PolarHBondContact N-O 2.78Å; Q50-L197 PolarHBondContact O-N 3.13Å
51	I	93.2	Very high	86.2	Confident	44 Å²	44	30.3 Å²	30.3	23%	0.226	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.7	-175.9	-54.3	173.6	0	0	0	108.9	Y40 V41 L43 E194 L195	Y40-I51 WeakPolarHBondContact CA-O 3.41Å; V41-I51 HydrophobicContact CB-CB 4.36Å; V41-I51 PolarHBondContact N-O 2.87Å; V41-I51 PolarHBondContact O-N 3.21Å; L43-I51 HydrophobicContact CD1-CD1 4.28Å; I51-E194 HydrophobicContact CG2-CB 4.4Å; I51-L195 CarbonylContact C-O 3.56Å; I51-L195 WeakPolarHBondContact CA-O 3.43Å
52	F	93.9	Very high	85.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.2	176.6	-58.5	-92.2	0	0	0	108.5	L37 Y40 Q50 F54 F73 Y75 E194 L195 L197 H655	L37-F52 HydrophobicContact CD1-CB 3.78Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CG 4.39Å; L37-F52 HydrophobicContact CD2-CD1 4.26Å; Y40-F52 AromaticContact CD2-CD1 3.73Å; Y40-F52 HydrophobicContact CD2-CD1 3.73Å; Y40-F52 AromaticContact CD2-CE1 3.47Å; Y40-F52 HydrophobicContact CD2-CE1 3.47Å; Y40-F52 VanDerWaalsContact CD2-CE1 3.47Å; Y40-F52 HydrophobicContact CD2-CG 4.44Å; Y40-F52 AromaticContact CD2-CZ 4Å; Y40-F52 HydrophobicContact CD2-CZ 4Å; Y40-F52 HydrophobicContact CE2-CD1 4.23Å; Y40-F52 AromaticContact CE2-CE1 3.54Å; Y40-F52 HydrophobicContact CE2-CE1 3.54Å; Y40-F52 HydrophobicContact CE2-CE2 4.37Å; Y40-F52 AromaticContact CE2-CZ 3.63Å; Y40-F52 HydrophobicContact CE2-CZ 3.63Å; Q50-F52 HydrophobicContact CB-CE2 3.8Å; Q50-F52 HydrophobicContact CB-CZ 4.22Å; F52-F54 HydrophobicContact CB-CE2 3.64Å; F52-F54 HydrophobicContact CB-CZ 3.7Å; F52-F54 HydrophobicContact CG-CZ 4.48Å; F52-F73 HydrophobicContact CD1-CB 4.14Å; F52-F73 AromaticContact CD1-CD2 3.73Å; F52-F73 HydrophobicContact CD1-CD2 3.73Å; F52-F73 HydrophobicContact CD1-CE2 4.34Å; F52-F73 AromaticContact CD1-CG 3.95Å; F52-F73 HydrophobicContact CD1-CG 3.95Å; F52-F73 HydrophobicContact CD2-CD2 4.26Å; F52-F73 HydrophobicContact CD2-CE2 4.13Å; F52-F73 HydrophobicContact CE1-CB 3.92Å; F52-F73 AromaticContact CE1-CD2 3.45Å; F52-F73 HydrophobicContact CE1-CD2 3.45Å; F52-F73 VanDerWaalsContact CE1-CD2 3.45Å; F52-F73 HydrophobicContact CE1-CE2 4.25Å; F52-F73 AromaticContact CE1-CG 3.92Å; F52-F73 HydrophobicContact CE1-CG 3.92Å; F52-F73 HydrophobicContact CE2-CD2 4.01Å; F52-F73 HydrophobicContact CE2-CE2 4.04Å; F52-F73 HydrophobicContact CG-CD2 4.14Å; F52-F73 HydrophobicContact CG-CE2 4.28Å; F52-F73 AromaticContact CZ-CD2 3.59Å; F52-F73 HydrophobicContact CZ-CD2 3.59Å; F52-F73 HydrophobicContact CZ-CE2 4.1Å; F52-F73 HydrophobicContact CZ-CG 4.5Å; F52-Y75 HydrophobicContact CE2-CD2 4.39Å; F52-E194 CarbonylContact O-C 3.55Å; F52-E194 WeakPolarHBondContact O-CA 3.46Å; F52-L195 HydrophobicContact CB-CB 4.38Å; F52-L195 PolarHBondContact N-O 3.15Å; F52-L195 PolarHBondContact O-N 3.11Å; F52-L197 HydrophobicContact CD2-CD1 4.33Å; F52-L197 HydrophobicContact CD2-CG 4.48Å; F52-L197 HydrophobicContact CE2-CD1 3.88Å; F52-L197 HydrophobicContact CE2-CG 4.31Å; F52-H655 AromaticContact CE1-CE1 3.78Å; F52-H655 AromaticContact CE1-NE2 3.93Å
53	T	90.2	Very high	85.1	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.6	177.5	-49.8	0	0	0	0	109.1	H38 R39 I192 I193 E194	H38-T53 WeakPolarHBondContact CA-O 3.41Å; H38-T53 PolarHBondContact N-O 3.46Å; R39-T53 PolarHBondContact N-O 3.37Å; R39-T53 PolarHBondContact NE-OG1 3.23Å; R39-T53 PolarHBondContact O-N 2.87Å; T53-I192 HydrophobicContact CG2-CG2 3.44Å; T53-I192 VanDerWaalsContact CG2-CG2 3.44Å; T53-I193 CarbonylContact C-O 3.59Å; T53-I193 WeakPolarHBondContact CA-O 3.24Å; T53-E194 HydrophobicContact CG2-CG 3.95Å
54	F	90	Very high	84.6	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.9	178.1	-56.2	-79.4	0	0	0	110.7	P36 L37 F52 T70 F73 V82 I193 L195	P36-F54 WeakPolarHBondContact O-CA 3.45Å; L37-F54 HydrophobicContact CB-CD1 4.2Å; L37-F54 HydrophobicContact CB-CE1 4.01Å; L37-F54 HydrophobicContact CD1-CD1 4.05Å; L37-F54 HydrophobicContact CD1-CE1 3.66Å; L37-F54 HydrophobicContact CD1-CZ 4.01Å; L37-F54 HydrophobicContact CG-CE1 4.43Å; F52-F54 HydrophobicContact CB-CE2 3.64Å; F52-F54 HydrophobicContact CB-CZ 3.7Å; F52-F54 HydrophobicContact CG-CZ 4.48Å; F54-T70 HydrophobicContact CB-CG2 4.46Å; F54-T70 HydrophobicContact CD1-CG2 3.6Å; F54-T70 HydrophobicContact CD2-CG2 4.39Å; F54-T70 HydrophobicContact CE1-CG2 3.86Å; F54-T70 HydrophobicContact CG-CG2 3.89Å; F54-T70 HydrophobicContact CZ-CG2 4.36Å; F54-F73 HydrophobicContact CE1-CD1 4.2Å; F54-F73 HydrophobicContact CE1-CE1 4.39Å; F54-F73 HydrophobicContact CE2-CE1 4.45Å; F54-F73 AromaticContact CZ-CD1 3.75Å; F54-F73 HydrophobicContact CZ-CD1 3.75Å; F54-F73 AromaticContact CZ-CE1 3.62Å; F54-F73 HydrophobicContact CZ-CE1 3.62Å; F54-F73 HydrophobicContact CZ-CZ 4.33Å; F54-V82 HydrophobicContact CE2-CG2 4.11Å; F54-V82 HydrophobicContact CZ-CG2 4.43Å; F54-I193 PolarHBondContact N-O 2.87Å; F54-I193 PolarHBondContact O-N 3.48Å; F54-L195 HydrophobicContact CE2-CB 4.07Å; F54-L195 HydrophobicContact CE2-CD2 4.36Å
55	L	83.2	Confident	84.4	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.2	171.2	-172.9	68.2	0	0	0	108.4	P36 H38 K190 Y658 D660 T665	P36-L55 WeakPolarHBondContact CD-O 3.49Å; P36-L55 PolarHBondContact O-N 2.92Å; H38-L55 HydrophobicContact CB-CB 4.34Å; L55-K190 HydrophobicContact CD1-CB 4.13Å; L55-K190 HydrophobicContact CD1-CD 4.08Å; L55-K190 HydrophobicContact CD2-CD 3.88Å; L55-K190 HydrophobicContact CG-CD 4.05Å; L55-Y658 HydrophobicContact CD2-CE1 4.3Å; L55-D660 HydrophobicContact CD2-CB 4.48Å; L55-T665 HydrophobicContact CD1-CG2 4.31Å
56	L	83.7	Confident	84.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.2	177.1	-176.4	62.8	0	0	0	109.5	L60 L61 V68 F84 L91 K190 C191 I193	L56-L60 HydrophobicContact CD1-CB 4.4Å; L56-L60 HydrophobicContact CD1-CD2 4.02Å; L56-L60 HydrophobicContact CD2-CD2 4.17Å; L56-L61 HydrophobicContact CD2-CD2 3.99Å; L56-L61 HydrophobicContact CD2-CG 4.31Å; L56-V68 HydrophobicContact CD1-CB 4.43Å; L56-V68 HydrophobicContact CD1-CG1 4.14Å; L56-F84 HydrophobicContact CD1-CD2 3.78Å; L56-F84 HydrophobicContact CD1-CE2 4.29Å; L56-F84 HydrophobicContact CD1-CG 4.29Å; L56-L91 HydrophobicContact CD2-CD2 4.04Å; L56-K190 WeakPolarHBondContact O-CA 3.12Å; L56-C191 PolarHBondContact N-O 2.83Å; L56-C191 PolarHBondContact O-N 3Å; L56-C191 VanDerWaalsContact O-N 3.13Å; L56-I193 HydrophobicContact CB-CD1 4.13Å; L56-I193 HydrophobicContact CD2-CD1 3.94Å
57	L	77.6	Confident	84	Confident	7 Å²	7	21.2 Å²	21.2	4%	0.037	12%	0.119	C	C	.	.			trans	-77.1	153.1	-179.9	-74.7	132	0	0	0	112.1	F34 P36 H59 N570 L573	F34-L57 VanDerWaalsContact O-CD1 3.31Å; F34-L57 WeakPolarHBondContact O-CD1 3.46Å; P36-L57 HydrophobicContact CG-CD1 4.35Å; L57-H59 PolarHBondContact O-N 3.41Å; L57-N570 WeakPolarHBondContact CD2-OD1 3.24Å; L57-L573 HydrophobicContact CD1-CD1 3.48Å; L57-L573 VanDerWaalsContact CD1-CD1 3.48Å; L57-L573 HydrophobicContact CD2-CD1 3.53Å; L57-L573 HydrophobicContact CG-CD1 4.13Å
58	P	73.8	Confident	83.8	Confident	9 Å²	9	20.3 Å²	20.3	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-18.4	-170.7	24	-35.8	0	0	0	114.7	L60 L61 C62	P58-L60 VanDerWaalsContact C-N 3.31Å; P58-L60 PolarHBondContact O-N 2.68Å; P58-L61 PolarHBondContact O-N 2.61Å; P58-C62 WeakPolarHBondContact O-CB 3.36Å; P58-C62 PolarHBondContact O-N 3.4Å; P58-C62 PolarHBondContact O-SG 2.89Å; P58-C62 VanDerWaalsContact O-SG 3.37Å
59	H	76.8	Confident	83.8	Confident	3 Å²	3	21.4 Å²	21.4	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-55.6	-42.4	-175.5	-46.6	98.2	0	0	0	113.7	L57 G63 L64 V65 I574	L57-H59 PolarHBondContact O-N 3.41Å; H59-G63 PolarHBondContact O-N 3.21Å; H59-L64 HydrophobicContact CB-CD1 4.24Å; H59-L64 WeakPolarHBondContact O-CB 3.5Å; H59-L64 PolarHBondContact O-N 3.25Å; H59-V65 HydrophobicContact CB-CG2 4.35Å; H59-I574 WeakPolarHBondContact NE2-CD1 3.43Å; H59-I574 WeakPolarHBondContact NE2-CG1 3.35Å
60	L	80.9	Confident	83.6	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-45.9	175.2	-177.2	62.7	0	0	0	109.9	L56 P58 G63 V65 V68 F84 R86 L91	L56-L60 HydrophobicContact CD1-CB 4.4Å; L56-L60 HydrophobicContact CD1-CD2 4.02Å; L56-L60 HydrophobicContact CD2-CD2 4.17Å; P58-L60 VanDerWaalsContact C-N 3.31Å; P58-L60 PolarHBondContact O-N 2.68Å; L60-G63 PolarHBondContact O-N 2.9Å; L60-V65 HydrophobicContact CB-CG2 4.05Å; L60-V65 HydrophobicContact CD1-CG2 4.03Å; L60-V65 WeakPolarHBondContact CD1-O 3.28Å; L60-V68 HydrophobicContact CB-CG2 3.86Å; L60-V68 HydrophobicContact CD1-CG2 4.4Å; L60-V68 HydrophobicContact CD2-CB 4.17Å; L60-V68 HydrophobicContact CD2-CG2 4.25Å; L60-V68 HydrophobicContact CG-CG2 4.4Å; L60-F84 HydrophobicContact CD2-CB 3.42Å; L60-F84 VanDerWaalsContact CD2-CB 3.42Å; L60-R86 HydrophobicContact CD1-CB 3.62Å; L60-R86 HydrophobicContact CG-CB 4.08Å; L60-R86 WeakPolarHBondContact O-CD 3.48Å; L60-L91 HydrophobicContact CD2-CD1 3.62Å; L60-L91 HydrophobicContact CG-CD1 4.09Å
61	L	80.2	Confident	83	Confident	22 Å²	22	22 Å²	22	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-39.3	-173.2	-58.2	176.5	0	0	0	112.7	L56 P58 G63 R86 L91 L179 L185 G189	L56-L61 HydrophobicContact CD2-CD2 3.99Å; L56-L61 HydrophobicContact CD2-CG 4.31Å; P58-L61 PolarHBondContact O-N 2.61Å; L61-G63 PolarHBondContact O-N 3.32Å; L61-R86 PolarHBondContact O-NE 3.48Å; L61-L91 HydrophobicContact CD2-CD2 3.86Å; L61-L179 HydrophobicContact CD1-CD2 4.12Å; L61-L179 HydrophobicContact CD2-CD2 3.47Å; L61-L179 VanDerWaalsContact CD2-CD2 3.47Å; L61-L179 HydrophobicContact CG-CD2 4.34Å; L61-L185 HydrophobicContact CD1-CD2 3.58Å; L61-G189 WeakPolarHBondContact CD1-O 3.42Å
62	C	77.1	Confident	82.8	Confident	78 Å²	78	23 Å²	23	53%	0.527	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.8	172.7	-63.8	0	0	0	0	113	P58 L64	P58-C62 WeakPolarHBondContact O-CB 3.36Å; P58-C62 PolarHBondContact O-N 3.4Å; P58-C62 PolarHBondContact O-SG 2.89Å; P58-C62 VanDerWaalsContact O-SG 3.37Å; C62-L64 HydrophobicContact CB-CG 4.42Å
63	G	74.9	Confident	82.7	Confident	4 Å²	4	23.3 Å²	23.3	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	18.4	175.7	0	0	0	0	0	115.7	H59 L60 L61 V65 R86 K583	H59-G63 PolarHBondContact O-N 3.21Å; L60-G63 PolarHBondContact O-N 2.9Å; L61-G63 PolarHBondContact O-N 3.32Å; G63-V65 VanDerWaalsContact C-N 3.29Å; G63-R86 VanDerWaalsContact CA-CZ 3.46Å; G63-K583 WeakPolarHBondContact O-CE 3.28Å; G63-K583 PolarHBondContact O-NZ 2.63Å
64	L	75.1	Confident	82.7	Confident	5 Å²	5	25.1 Å²	25.1	3%	0.026	13%	0.133	C	C	.	.	S	Bend	trans	-69.3	-31.7	174	-60.1	172	0	0	0	111.8	H59 C62 K583 D586 L589 L590 L593	H59-L64 HydrophobicContact CB-CD1 4.24Å; H59-L64 WeakPolarHBondContact O-CB 3.5Å; H59-L64 PolarHBondContact O-N 3.25Å; C62-L64 HydrophobicContact CB-CG 4.42Å; L64-K583 PolarHBondContact O-N 3.05Å; L64-D586 HydrophobicContact CD2-CB 3.85Å; L64-L589 HydrophobicContact CD2-CB 4.22Å; L64-L590 HydrophobicContact CD1-CD2 3.63Å; L64-L593 HydrophobicContact CD1-CD1 3.34Å; L64-L593 HydrophobicContact CG-CD1 4.47Å
65	V	79.2	Confident	82.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.			trans	-125.3	150	174.9	-58.1	0	0	0	0	109.5	H59 L60 G63 V68 L577 L581	H59-V65 HydrophobicContact CB-CG2 4.35Å; L60-V65 HydrophobicContact CB-CG2 4.05Å; L60-V65 HydrophobicContact CD1-CG2 4.03Å; L60-V65 WeakPolarHBondContact CD1-O 3.28Å; G63-V65 VanDerWaalsContact C-N 3.29Å; V65-V68 HydrophobicContact CG2-CG2 3.81Å; V65-L577 HydrophobicContact CG1-CD1 4.14Å; V65-L577 HydrophobicContact CG1-CD2 4.29Å; V65-L581 HydrophobicContact CG1-CB 4.01Å; V65-L581 WeakPolarHBondContact CG1-O 3.22Å
66	N	81.8	Confident	83.2	Confident	87 Å²	87	25.7 Å²	25.7	47%	0.465	14%	0.138	S	C	.	.	S	Bend	trans	-88.2	-24.3	178.8	-67	-25.9	0	0	0	112.4	R86 K583	N66-R86 PolarHBondContact O-N 2.93Å; N66-K583 VanDerWaalsContact OD1-CE 3.26Å; N66-K583 WeakPolarHBondContact OD1-CE 3.4Å
67	Y	85.8	Confident	83.5	Confident	66 Å²	66	27.5 Å²	27.5	26%	0.259	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.3	177.6	69.4	-86.6	0	0	0	111.6	E69 F84 L581	Y67-E69 HydrophobicContact CD2-CG 4.42Å; Y67-F84 CarbonylContact C-O 3.55Å; Y67-F84 WeakPolarHBondContact CA-O 3.31Å; Y67-F84 WeakPolarHBondContact CB-O 3.46Å; Y67-L581 HydrophobicContact CE1-CD2 3.85Å; Y67-L581 HydrophobicContact CE2-CD2 3.81Å; Y67-L581 WeakPolarHBondContact OH-CD2 3.33Å
68	V	85.4	Confident	84.1	Confident	3 Å²	3	28 Å²	28	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.1	175.5	159	0	0	0	0	109	F34 L56 L60 V65 R83 F84	F34-V68 VanDerWaalsContact C-CG1 3.45Å; F34-V68 HydrophobicContact CB-CB 4.06Å; F34-V68 HydrophobicContact CB-CG1 3.42Å; F34-V68 VanDerWaalsContact CB-CG1 3.42Å; F34-V68 HydrophobicContact CB-CG2 3.55Å; F34-V68 HydrophobicContact CD2-CG2 4.49Å; F34-V68 HydrophobicContact CG-CG2 4.24Å; L56-V68 HydrophobicContact CD1-CB 4.43Å; L56-V68 HydrophobicContact CD1-CG1 4.14Å; L60-V68 HydrophobicContact CB-CG2 3.86Å; L60-V68 HydrophobicContact CD1-CG2 4.4Å; L60-V68 HydrophobicContact CD2-CB 4.17Å; L60-V68 HydrophobicContact CD2-CG2 4.25Å; L60-V68 HydrophobicContact CG-CG2 4.4Å; V65-V68 HydrophobicContact CG2-CG2 3.81Å; V68-R83 WeakPolarHBondContact O-CA 3.23Å; V68-F84 HydrophobicContact CB-CB 4.49Å; V68-F84 HydrophobicContact CG1-CD2 4.13Å; V68-F84 PolarHBondContact N-O 2.81Å; V68-F84 PolarHBondContact O-N 2.91Å
69	E	88.8	Confident	85	Confident	78 Å²	78	32.3 Å²	32.3	36%	0.364	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.4	172	-68.4	170.5	-179.7	0	0	109.9	C33 Y67 F81 V82 R83	C33-E69 PolarHBondContact SG-O 3.4Å; Y67-E69 HydrophobicContact CD2-CG 4.42Å; E69-F81 HydrophobicContact CB-CD2 4.18Å; E69-F81 HydrophobicContact CG-CD2 3.99Å; E69-F81 HydrophobicContact CG-CE2 3.94Å; E69-V82 WeakPolarHBondContact CA-O 3.25Å; E69-R83 HydrophobicContact CG-CB 4.41Å; E69-R83 HydrophobicContact CG-CG 4.1Å; E69-R83 IonicContact OE1-CZ 2.8Å; E69-R83 IonicContact OE1-NH1 2.77Å; E69-R83 PolarHBondContact OE1-NH1 2.86Å
70	T	89.3	Confident	85.8	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.049	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-76.2	170.9	173.7	65.2	0	0	0	0	111.4	C33 G35 F54 V82 F84	C33-T70 VanDerWaalsContact SG-CA 3.59Å; G35-T70 VanDerWaalsContact O-CA 3.25Å; G35-T70 WeakPolarHBondContact O-CA 3.31Å; G35-T70 VanDerWaalsContact O-CB 3.24Å; G35-T70 WeakPolarHBondContact O-CB 3.44Å; G35-T70 WeakPolarHBondContact O-CG2 3.47Å; F54-T70 HydrophobicContact CB-CG2 4.46Å; F54-T70 HydrophobicContact CD1-CG2 3.6Å; F54-T70 HydrophobicContact CD2-CG2 4.39Å; F54-T70 HydrophobicContact CE1-CG2 3.86Å; F54-T70 HydrophobicContact CG-CG2 3.89Å; F54-T70 HydrophobicContact CZ-CG2 4.36Å; T70-V82 HydrophobicContact CG2-CB 3.71Å; T70-V82 HydrophobicContact CG2-CG1 4.41Å; T70-V82 PolarHBondContact N-O 2.92Å; T70-V82 PolarHBondContact OG1-N 2.89Å; T70-V82 PolarHBondContact OG1-O 2.89Å; T70-F84 HydrophobicContact CG2-CD2 4.27Å; T70-F84 HydrophobicContact CG2-CE2 3.44Å; T70-F84 VanDerWaalsContact CG2-CE2 3.44Å; T70-F84 HydrophobicContact CG2-CZ 4.04Å
71	Q	82.5	Confident	86.4	Confident	40 Å²	40	33.7 Å²	33.7	19%	0.187	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-63.6	142.4	168.4	-179.4	157.2	29	0	0	108.6	C33 G35 F73 Q656	C33-Q71 PolarHBondContact SG-N 2.74Å; G35-Q71 PolarHBondContact O-N 2.63Å; Q71-F73 WeakPolarHBondContact O-CD1 3.47Å; Q71-F73 PolarHBondContact O-N 2.79Å; Q71-Q656 PolarHBondContact OE1-O 2.99Å
72	V	88.6	Confident	87.1	Confident	65 Å²	65	32.6 Å²	32.6	39%	0.394	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-63.1	130.8	174.6	-179.2	0	0	0	0	109.2	E79 W80 I98	V72-E79 HydrophobicContact CG1-CB 3.74Å; V72-E79 HydrophobicContact CG1-CG 4.19Å; V72-W80 CarbonylContact C-O 3.53Å; V72-W80 WeakPolarHBondContact CA-O 3.28Å; V72-I98 HydrophobicContact CB-CD1 4.29Å; V72-I98 HydrophobicContact CG1-CD1 3.58Å; V72-I98 HydrophobicContact CG2-CD1 3.69Å
73	F	91.8	Very high	87.8	Confident	5 Å²	5	31.2 Å²	31.2	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.6	176.7	61.8	-88.2	0	0	0	110.3	F52 F54 Q71 W80 V82 L95 L195 L197	F52-F73 HydrophobicContact CD1-CB 4.14Å; F52-F73 AromaticContact CD1-CD2 3.73Å; F52-F73 HydrophobicContact CD1-CD2 3.73Å; F52-F73 HydrophobicContact CD1-CE2 4.34Å; F52-F73 AromaticContact CD1-CG 3.95Å; F52-F73 HydrophobicContact CD1-CG 3.95Å; F52-F73 HydrophobicContact CD2-CD2 4.26Å; F52-F73 HydrophobicContact CD2-CE2 4.13Å; F52-F73 HydrophobicContact CE1-CB 3.92Å; F52-F73 AromaticContact CE1-CD2 3.45Å; F52-F73 HydrophobicContact CE1-CD2 3.45Å; F52-F73 VanDerWaalsContact CE1-CD2 3.45Å; F52-F73 HydrophobicContact CE1-CE2 4.25Å; F52-F73 AromaticContact CE1-CG 3.92Å; F52-F73 HydrophobicContact CE1-CG 3.92Å; F52-F73 HydrophobicContact CE2-CD2 4.01Å; F52-F73 HydrophobicContact CE2-CE2 4.04Å; F52-F73 HydrophobicContact CG-CD2 4.14Å; F52-F73 HydrophobicContact CG-CE2 4.28Å; F52-F73 AromaticContact CZ-CD2 3.59Å; F52-F73 HydrophobicContact CZ-CD2 3.59Å; F52-F73 HydrophobicContact CZ-CE2 4.1Å; F52-F73 HydrophobicContact CZ-CG 4.5Å; F54-F73 HydrophobicContact CE1-CD1 4.2Å; F54-F73 HydrophobicContact CE1-CE1 4.39Å; F54-F73 HydrophobicContact CE2-CE1 4.45Å; F54-F73 AromaticContact CZ-CD1 3.75Å; F54-F73 HydrophobicContact CZ-CD1 3.75Å; F54-F73 AromaticContact CZ-CE1 3.62Å; F54-F73 HydrophobicContact CZ-CE1 3.62Å; F54-F73 HydrophobicContact CZ-CZ 4.33Å; Q71-F73 WeakPolarHBondContact O-CD1 3.47Å; Q71-F73 PolarHBondContact O-N 2.79Å; F73-W80 WeakPolarHBondContact CD1-O 3.44Å; F73-W80 HydrophobicContact CD2-CB 4.16Å; F73-W80 HydrophobicContact CE1-CB 4.17Å; F73-W80 HydrophobicContact CE2-CB 3.64Å; F73-W80 HydrophobicContact CE2-CG 4.28Å; F73-W80 HydrophobicContact CZ-CB 3.64Å; F73-W80 PolarHBondContact N-O 3.27Å; F73-W80 PolarHBondContact O-N 3.44Å; F73-V82 HydrophobicContact CE1-CG2 4.05Å; F73-V82 HydrophobicContact CZ-CG2 4.22Å; F73-L95 HydrophobicContact CZ-CD1 4.03Å; F73-L195 HydrophobicContact CE2-CD2 4.31Å; F73-L195 HydrophobicContact CZ-CD2 3.71Å; F73-L197 HydrophobicContact CE2-CD1 3.95Å
74	Q	90.7	Very high	88.7	Confident	43 Å²	43	31 Å²	31	20%	0.201	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.3	-179.8	-174.6	166.2	-0.3	0	0	110.9	E77 H78 H655	Q74-E77 PolarHBondContact NE2-OE2 3.04Å; Q74-H78 CarbonylContact C-O 3.53Å; Q74-H78 VanDerWaalsContact CA-O 3.28Å; Q74-H78 WeakPolarHBondContact CA-O 3.3Å; Q74-H655 PolarHBondContact O-CE1 2.96Å; Q74-H655 VanDerWaalsContact O-CE1 3.32Å
75	Y	93	Very high	89.4	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.5	169	-178.9	-105.9	0	0	0	110	N48 Q50 F52 E77 H78 W80 L136 L197 R198 P200	N48-Y75 PolarHBondContact O-OH 3.02Å; Q50-Y75 HydrophobicContact CB-CD2 4.01Å; Q50-Y75 HydrophobicContact CB-CE2 3.86Å; Q50-Y75 VanDerWaalsContact CD-CD2 3.48Å; Q50-Y75 HydrophobicContact CG-CD2 4.03Å; Q50-Y75 HydrophobicContact CG-CE2 3.74Å; F52-Y75 HydrophobicContact CE2-CD2 4.39Å; Y75-E77 PolarHBondContact O-N 3.4Å; Y75-E77 VanDerWaalsContact O-N 3.16Å; Y75-H78 PolarHBondContact N-O 2.87Å; Y75-H78 PolarHBondContact O-N 2.97Å; Y75-H78 VanDerWaalsContact O-O 3.13Å; Y75-W80 PolarHBondContact O-NE1 3.47Å; Y75-L136 HydrophobicContact CD1-CD2 3.96Å; Y75-L136 HydrophobicContact CE1-CD2 3.89Å; Y75-L197 HydrophobicContact CD1-CB 3.94Å; Y75-L197 HydrophobicContact CD1-CD1 3.55Å; Y75-L197 HydrophobicContact CD1-CG 4.35Å; Y75-L197 HydrophobicContact CD2-CB 4.11Å; Y75-L197 HydrophobicContact CD2-CD1 4.09Å; Y75-L197 HydrophobicContact CE1-CB 3.63Å; Y75-L197 HydrophobicContact CE1-CD1 4.13Å; Y75-L197 HydrophobicContact CE1-CG 4.47Å; Y75-L197 HydrophobicContact CE2-CB 3.82Å; Y75-L197 HydrophobicContact CG-CB 4.16Å; Y75-L197 HydrophobicContact CG-CD1 3.51Å; Y75-L197 HydrophobicContact CG-CG 4.48Å; Y75-L197 PolarHBondContact OH-O 3.45Å; Y75-R198 VanDerWaalsContact OH-CA 3.29Å; Y75-R198 WeakPolarHBondContact OH-CA 3.4Å; Y75-R198 PolarHBondContact OH-N 3.32Å; Y75-P200 HydrophobicContact CE1-CB 3.82Å; Y75-P200 HydrophobicContact CE1-CG 4.2Å; Y75-P200 VanDerWaalsContact OH-CD 3.3Å; Y75-P200 WeakPolarHBondContact OH-CD 3.48Å
76	A	90.1	Very high	89.8	Confident	14 Å²	14	35.3 Å²	35.3	12%	0.116	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	37.7	-177.7	0	0	0	0	0	113.6	H78 P200	A76-H78 VanDerWaalsContact C-N 3.27Å; A76-H78 PolarHBondContact O-CE1 3.44Å; A76-H78 PolarHBondContact O-N 3.45Å; A76-H78 PolarHBondContact O-ND1 2.97Å; A76-P200 HydrophobicContact CB-CB 3.47Å; A76-P200 VanDerWaalsContact CB-CB 3.47Å; A76-P200 HydrophobicContact CB-CG 4.16Å
77	E	90.3	Very high	90	Very high	39 Å²	39	33.1 Å²	33.1	18%	0.182	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	22.3	-176.8	-45.4	-48	153.2	0	0	116.8	Q74 Y75 Y258 A259 Y420 R422	Q74-E77 PolarHBondContact NE2-OE2 3.04Å; Y75-E77 PolarHBondContact O-N 3.4Å; Y75-E77 VanDerWaalsContact O-N 3.16Å; E77-Y258 HydrophobicContact CB-CE2 4.45Å; E77-Y258 HydrophobicContact CG-CE1 4.5Å; E77-A259 HydrophobicContact CB-CB 3.7Å; E77-A259 HydrophobicContact CG-CB 4.13Å; E77-A259 WeakPolarHBondContact O-CA 3.44Å; E77-Y420 VanDerWaalsContact CD-CD1 3.42Å; E77-Y420 HydrophobicContact CG-CD1 3.61Å; E77-Y420 HydrophobicContact CG-CE1 4.33Å; E77-Y420 HydrophobicContact CG-CG 4Å; E77-R422 IonicContact OE2-NH2 3.33Å
78	H	91.2	Very high	90	Very high	18 Å²	18	37 Å²	37	8%	0.083	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.9	174.7	-58.3	85.1	0	0	0	110.8	Q74 Y75 A76 W80 L97 K132 I134 Y258	Q74-H78 CarbonylContact C-O 3.53Å; Q74-H78 VanDerWaalsContact CA-O 3.28Å; Q74-H78 WeakPolarHBondContact CA-O 3.3Å; Y75-H78 PolarHBondContact N-O 2.87Å; Y75-H78 PolarHBondContact O-N 2.97Å; Y75-H78 VanDerWaalsContact O-O 3.13Å; A76-H78 VanDerWaalsContact C-N 3.27Å; A76-H78 PolarHBondContact O-CE1 3.44Å; A76-H78 PolarHBondContact O-N 3.45Å; A76-H78 PolarHBondContact O-ND1 2.97Å; H78-W80 HydrophobicContact CB-CZ2 4.37Å; H78-W80 PolarHBondContact O-NE1 3.41Å; H78-L97 HydrophobicContact CB-CD1 3.73Å; H78-K132 PolarHBondContact CD2-NZ 3.24Å; H78-K132 VanDerWaalsContact CD2-NZ 3.27Å; H78-K132 WeakPolarHBondContact NE2-CE 3.46Å; H78-K132 PolarHBondContact NE2-NZ 3.03Å; H78-I134 HydrophobicContact CB-CD1 4.15Å; H78-I134 WeakPolarHBondContact ND1-CD1 3.35Å; H78-Y258 AromaticContact CE1-CE2 3.93Å
79	E	91.8	Very high	90	Very high	99 Å²	99	40.9 Å²	40.9	46%	0.463	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.9	176.3	-64.3	-174.4	143.2	0	0	110.3	V72 I98	V72-E79 HydrophobicContact CG1-CB 3.74Å; V72-E79 HydrophobicContact CG1-CG 4.19Å; E79-I98 HydrophobicContact CB-CB 4.12Å; E79-I98 HydrophobicContact CB-CD1 3.94Å; E79-I98 HydrophobicContact CB-CG1 4.29Å; E79-I98 WeakPolarHBondContact O-CB 3.32Å; E79-I98 PolarHBondContact O-N 3.07Å
80	W	94.2	Very high	90.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155	-175.8	-56.6	84	0	0	0	109.6	V72 F73 Y75 H78 L95 E96 L97 I134 L136 F161	V72-W80 CarbonylContact C-O 3.53Å; V72-W80 WeakPolarHBondContact CA-O 3.28Å; F73-W80 WeakPolarHBondContact CD1-O 3.44Å; F73-W80 HydrophobicContact CD2-CB 4.16Å; F73-W80 HydrophobicContact CE1-CB 4.17Å; F73-W80 HydrophobicContact CE2-CB 3.64Å; F73-W80 HydrophobicContact CE2-CG 4.28Å; F73-W80 HydrophobicContact CZ-CB 3.64Å; F73-W80 PolarHBondContact N-O 3.27Å; F73-W80 PolarHBondContact O-N 3.44Å; Y75-W80 PolarHBondContact O-NE1 3.47Å; H78-W80 HydrophobicContact CB-CZ2 4.37Å; H78-W80 PolarHBondContact O-NE1 3.41Å; W80-L95 HydrophobicContact CB-CD1 4.28Å; W80-L95 HydrophobicContact CE3-CD1 3.91Å; W80-L95 HydrophobicContact CE3-CD2 4.27Å; W80-L95 HydrophobicContact CE3-CG 3.88Å; W80-L95 HydrophobicContact CZ3-CD2 4.32Å; W80-L95 HydrophobicContact CZ3-CG 4.2Å; W80-E96 WeakPolarHBondContact CA-O 3.47Å; W80-L97 HydrophobicContact CD2-CD1 4.08Å; W80-L97 HydrophobicContact CE3-CB 3.9Å; W80-L97 HydrophobicContact CE3-CD1 4.19Å; W80-L97 HydrophobicContact CH2-CB 4.05Å; W80-L97 HydrophobicContact CH2-CD1 3.86Å; W80-L97 HydrophobicContact CH2-CG 4.38Å; W80-L97 HydrophobicContact CZ2-CD1 3.72Å; W80-L97 HydrophobicContact CZ3-CB 3.61Å; W80-L97 HydrophobicContact CZ3-CD1 4.1Å; W80-L97 HydrophobicContact CZ3-CG 4.38Å; W80-I134 HydrophobicContact CH2-CG2 4.2Å; W80-I134 HydrophobicContact CZ2-CD1 4.24Å; W80-I134 HydrophobicContact CZ2-CG2 4.01Å; W80-L136 HydrophobicContact CH2-CD2 3.73Å; W80-L136 HydrophobicContact CZ2-CD2 3.78Å; W80-L136 HydrophobicContact CZ3-CD2 4.44Å; W80-F161 HydrophobicContact CH2-CB 4.17Å; W80-F161 HydrophobicContact CH2-CD1 4.16Å; W80-F161 AromaticContact CH2-CD2 3.81Å; W80-F161 HydrophobicContact CH2-CD2 3.81Å; W80-F161 HydrophobicContact CH2-CE2 4.24Å; W80-F161 AromaticContact CH2-CG 3.78Å; W80-F161 HydrophobicContact CH2-CG 3.78Å; W80-F161 HydrophobicContact CZ3-CB 4.46Å; W80-F161 AromaticContact CZ3-CD1 3.65Å; W80-F161 HydrophobicContact CZ3-CD1 3.65Å; W80-F161 AromaticContact CZ3-CD2 3.98Å; W80-F161 HydrophobicContact CZ3-CD2 3.98Å; W80-F161 AromaticContact CZ3-CE1 3.76Å; W80-F161 HydrophobicContact CZ3-CE1 3.76Å; W80-F161 HydrophobicContact CZ3-CE2 4.1Å; W80-F161 AromaticContact CZ3-CG 3.76Å; W80-F161 HydrophobicContact CZ3-CG 3.76Å; W80-F161 AromaticContact CZ3-CZ 3.99Å; W80-F161 HydrophobicContact CZ3-CZ 3.99Å
81	F	93.6	Very high	90.1	Very high	31 Å²	31	38.8 Å²	38.8	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	160.5	163.9	66.3	-79.2	0	0	0	109.1	E69 R83 E96 I98	E69-F81 HydrophobicContact CB-CD2 4.18Å; E69-F81 HydrophobicContact CG-CD2 3.99Å; E69-F81 HydrophobicContact CG-CE2 3.94Å; F81-R83 HydrophobicContact CD2-CB 4.49Å; F81-R83 HydrophobicContact CE2-CB 4.17Å; F81-E96 HydrophobicContact CD1-CB 4.14Å; F81-E96 HydrophobicContact CD2-CB 4.37Å; F81-E96 HydrophobicContact CE1-CB 3.62Å; F81-E96 HydrophobicContact CE2-CB 3.88Å; F81-E96 HydrophobicContact CE2-CG 4.33Å; F81-E96 HydrophobicContact CG-CB 4.49Å; F81-E96 HydrophobicContact CZ-CB 3.47Å; F81-E96 VanDerWaalsContact CZ-CB 3.47Å; F81-E96 HydrophobicContact CZ-CG 4.17Å; F81-E96 VanDerWaalsContact CZ-OE2 3.25Å; F81-E96 WeakPolarHBondContact CZ-OE2 3.34Å; F81-E96 PolarHBondContact N-O 3.31Å; F81-E96 VanDerWaalsContact N-O 3.08Å; F81-E96 PolarHBondContact O-N 3.12Å; F81-I98 HydrophobicContact CD1-CD1 3.99Å; F81-I98 HydrophobicContact CD1-CG1 3.61Å; F81-I98 HydrophobicContact CE1-CG1 3.91Å
82	V	94.4	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.7	171.5	175.9	0	0	0	0	108.1	F54 E69 T70 F73 F84 Y94 L95 F140 L195	F54-V82 HydrophobicContact CE2-CG2 4.11Å; F54-V82 HydrophobicContact CZ-CG2 4.43Å; E69-V82 WeakPolarHBondContact CA-O 3.25Å; T70-V82 HydrophobicContact CG2-CB 3.71Å; T70-V82 HydrophobicContact CG2-CG1 4.41Å; T70-V82 PolarHBondContact N-O 2.92Å; T70-V82 PolarHBondContact OG1-N 2.89Å; T70-V82 PolarHBondContact OG1-O 2.89Å; F73-V82 HydrophobicContact CE1-CG2 4.05Å; F73-V82 HydrophobicContact CZ-CG2 4.22Å; V82-F84 HydrophobicContact CB-CZ 4.3Å; V82-F84 HydrophobicContact CG1-CD1 3.93Å; V82-F84 HydrophobicContact CG1-CE1 3.42Å; V82-F84 VanDerWaalsContact CG1-CE1 3.42Å; V82-F84 HydrophobicContact CG1-CE2 4.07Å; V82-F84 HydrophobicContact CG1-CG 4.46Å; V82-F84 HydrophobicContact CG1-CZ 3.51Å; V82-Y94 CarbonylContact C-O 3.54Å; V82-Y94 VanDerWaalsContact CA-O 3.3Å; V82-Y94 WeakPolarHBondContact CA-O 3.36Å; V82-L95 HydrophobicContact CG2-CD1 4.27Å; V82-F140 HydrophobicContact CB-CE1 4.46Å; V82-F140 HydrophobicContact CG1-CE1 3.66Å; V82-F140 HydrophobicContact CG1-CZ 3.85Å; V82-F140 HydrophobicContact CG2-CE1 3.9Å; V82-F140 HydrophobicContact CG2-CZ 3.94Å; V82-L195 HydrophobicContact CG2-CD2 3.66Å
83	R	92.3	Very high	90.8	Very high	49 Å²	49	34 Å²	34	19%	0.185	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.8	172.9	-170.4	175.4	168.8	119.9	-5.8	109.3	V68 E69 F81 E85 Y94 E96	V68-R83 WeakPolarHBondContact O-CA 3.23Å; E69-R83 HydrophobicContact CG-CB 4.41Å; E69-R83 HydrophobicContact CG-CG 4.1Å; E69-R83 IonicContact OE1-CZ 2.8Å; E69-R83 IonicContact OE1-NH1 2.77Å; E69-R83 PolarHBondContact OE1-NH1 2.86Å; F81-R83 HydrophobicContact CD2-CB 4.49Å; F81-R83 HydrophobicContact CE2-CB 4.17Å; R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE1 2.98Å; R83-E85 IonicContact NE-OE1 3.74Å; R83-E85 PolarHBondContact NE-OE1 3.43Å; R83-E85 IonicContact NH2-OE1 3.9Å; R83-E85 PolarHBondContact NH2-OE1 3.38Å; R83-Y94 PolarHBondContact N-O 2.91Å; R83-Y94 PolarHBondContact O-N 3.32Å; R83-E96 WeakPolarHBondContact CB-OE1 3.33Å; R83-E96 VanDerWaalsContact CD-OE1 3.27Å; R83-E96 WeakPolarHBondContact CD-OE1 3.41Å
84	F	91.9	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.2	172.8	-55.8	-64.3	0	0	0	108.5	L56 L60 Y67 V68 T70 V82 G92 F93 I193	L56-F84 HydrophobicContact CD1-CD2 3.78Å; L56-F84 HydrophobicContact CD1-CE2 4.29Å; L56-F84 HydrophobicContact CD1-CG 4.29Å; L60-F84 HydrophobicContact CD2-CB 3.42Å; L60-F84 VanDerWaalsContact CD2-CB 3.42Å; Y67-F84 CarbonylContact C-O 3.55Å; Y67-F84 WeakPolarHBondContact CA-O 3.31Å; Y67-F84 WeakPolarHBondContact CB-O 3.46Å; V68-F84 HydrophobicContact CB-CB 4.49Å; V68-F84 HydrophobicContact CG1-CD2 4.13Å; V68-F84 PolarHBondContact N-O 2.81Å; V68-F84 PolarHBondContact O-N 2.91Å; T70-F84 HydrophobicContact CG2-CD2 4.27Å; T70-F84 HydrophobicContact CG2-CE2 3.44Å; T70-F84 VanDerWaalsContact CG2-CE2 3.44Å; T70-F84 HydrophobicContact CG2-CZ 4.04Å; V82-F84 HydrophobicContact CB-CZ 4.3Å; V82-F84 HydrophobicContact CG1-CD1 3.93Å; V82-F84 HydrophobicContact CG1-CE1 3.42Å; V82-F84 VanDerWaalsContact CG1-CE1 3.42Å; V82-F84 HydrophobicContact CG1-CE2 4.07Å; V82-F84 HydrophobicContact CG1-CG 4.46Å; V82-F84 HydrophobicContact CG1-CZ 3.51Å; F84-G92 WeakPolarHBondContact CA-O 3.26Å; F84-F93 AromaticContact CD1-CD1 3.49Å; F84-F93 HydrophobicContact CD1-CD1 3.49Å; F84-F93 VanDerWaalsContact CD1-CD1 3.49Å; F84-F93 AromaticContact CD1-CE1 3.84Å; F84-F93 HydrophobicContact CD1-CE1 3.84Å; F84-F93 HydrophobicContact CD1-CG 4.32Å; F84-F93 AromaticContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CE1 4.22Å; F84-F93 HydrophobicContact CE1-CG 4.47Å; F84-I193 HydrophobicContact CD1-CD1 4.09Å; F84-I193 HydrophobicContact CE1-CD1 3.53Å; F84-I193 HydrophobicContact CE1-CG2 4.19Å; F84-I193 HydrophobicContact CZ-CB 4.47Å; F84-I193 HydrophobicContact CZ-CD1 3.8Å; F84-I193 HydrophobicContact CZ-CG2 4.36Å
85	E	90.5	Very high	91.2	Very high	42 Å²	42	33 Å²	33	20%	0.196	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.1	179.7	-62.7	-172.3	157.6	0	0	110.5	R83 G92 Y94 R167	R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE1 2.98Å; R83-E85 IonicContact NE-OE1 3.74Å; R83-E85 PolarHBondContact NE-OE1 3.43Å; R83-E85 IonicContact NH2-OE1 3.9Å; R83-E85 PolarHBondContact NH2-OE1 3.38Å; E85-G92 PolarHBondContact N-O 2.81Å; E85-G92 PolarHBondContact O-N 3.39Å; E85-Y94 HydrophobicContact CB-CE2 4.14Å; E85-Y94 HydrophobicContact CG-CD2 4.26Å; E85-Y94 HydrophobicContact CG-CE2 4.06Å; E85-Y94 WeakPolarHBondContact OE2-CE2 3.38Å; E85-R167 IonicContact OE1-CZ 3.83Å; E85-R167 IonicContact OE1-NH1 2.68Å; E85-R167 IonicContact OE1-NH2 3.54Å; E85-R167 PolarHBondContact OE1-NH2 2.97Å; E85-R167 IonicContact OE2-CZ 2.66Å; E85-R167 IonicContact OE2-NH2 2.78Å; E85-R167 PolarHBondContact OE2-NH2 3.49Å
86	R	87.5	Confident	91.3	Very high	53 Å²	53	34 Å²	34	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.7	175.7	177.1	174.4	172.4	-76.9	2.5	109.9	L60 L61 G63 N66 L91 L176	L60-R86 HydrophobicContact CD1-CB 3.62Å; L60-R86 HydrophobicContact CG-CB 4.08Å; L60-R86 WeakPolarHBondContact O-CD 3.48Å; L61-R86 PolarHBondContact O-NE 3.48Å; G63-R86 VanDerWaalsContact CA-CZ 3.46Å; N66-R86 PolarHBondContact O-N 2.93Å; R86-L91 HydrophobicContact CB-CD1 4.22Å; R86-L176 HydrophobicContact CG-CD1 4.12Å
87	T	86.4	Confident	91.4	Very high	40 Å²	40	34 Å²	34	25%	0.245	17%	0.167	C	C	.	.			trans	-97.7	177	162	65.8	0	0	0	0	109.5	T89 H90	T87-T89 PolarHBondContact O-N 2.8Å; T87-H90 PolarHBondContact N-O 2.96Å; T87-H90 WeakPolarHBondContact OG1-CA 3.37Å; T87-H90 PolarHBondContact OG1-N 3.29Å; T87-H90 PolarHBondContact OG1-O 3.2Å
88	D	84.9	Confident	91.4	Very high	147 Å²	147	34.5 Å²	34.5	79%	0.786	17%	0.171	S	C	*	.	S	Bend	trans	-61.6	-27.8	-178.6	-59.4	-35.7	0	0	0	113.4
89	T	87	Confident	90.8	Very high	86 Å²	86	35.7 Å²	35.7	53%	0.528	18%	0.179	S	C	.	.	S	Bend	trans	-119.5	-26.5	-173.7	45.2	0	0	0	0	113.7	T87 L176	T87-T89 PolarHBondContact O-N 2.8Å; T89-L176 PolarHBondContact O-N 3.14Å
90	H	90.1	Very high	89.5	Confident	40 Å²	40	38.5 Å²	38.5	19%	0.185	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.9	-172.1	-54.6	75.4	0	0	0	112.7	T87 N172 I174 D175	T87-H90 PolarHBondContact N-O 2.96Å; T87-H90 WeakPolarHBondContact OG1-CA 3.37Å; T87-H90 PolarHBondContact OG1-N 3.29Å; T87-H90 PolarHBondContact OG1-O 3.2Å; H90-N172 HydrophobicContact CB-CB 4.31Å; H90-I174 CarbonylContact C-O 3.59Å; H90-I174 WeakPolarHBondContact CA-O 3.48Å; H90-D175 IonicContact CD2-OD1 3.86Å; H90-D175 PolarHBondContact CD2-OD1 2.94Å; H90-D175 IonicContact CG-OD1 3.81Å; H90-D175 IonicContact NE2-OD1 2.83Å; H90-D175 PolarHBondContact NE2-OD1 3.13Å; H90-D175 VanDerWaalsContact NE2-OD1 3.12Å
91	L	90.2	Very high	87.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	167.4	-172.1	67	0	0	0	109.3	L56 L60 L61 R86 F93 A173 I174 L176	L56-L91 HydrophobicContact CD2-CD2 4.04Å; L60-L91 HydrophobicContact CD2-CD1 3.62Å; L60-L91 HydrophobicContact CG-CD1 4.09Å; L61-L91 HydrophobicContact CD2-CD2 3.86Å; R86-L91 HydrophobicContact CB-CD1 4.22Å; L91-F93 HydrophobicContact CD2-CE1 3.53Å; L91-F93 HydrophobicContact CD2-CZ 4.06Å; L91-F93 HydrophobicContact CG-CD1 4.31Å; L91-F93 HydrophobicContact CG-CE1 3.63Å; L91-F93 HydrophobicContact CG-CZ 4.44Å; L91-A173 WeakPolarHBondContact O-CA 3.44Å; L91-A173 VanDerWaalsContact O-CB 3.28Å; L91-A173 WeakPolarHBondContact O-CB 3.26Å; L91-A173 PolarHBondContact O-N 3Å; L91-I174 HydrophobicContact CB-CG2 3.86Å; L91-I174 HydrophobicContact CD2-CG2 4.29Å; L91-I174 PolarHBondContact N-O 2.82Å; L91-I174 PolarHBondContact O-N 2.82Å; L91-L176 HydrophobicContact CB-CD2 4.29Å
92	G	91.3	Very high	85	Confident	1 Å²	1	49 Å²	49	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.7	-178.8	0	0	0	0	0	112.3	F84 E85 R170 K171	F84-G92 WeakPolarHBondContact CA-O 3.26Å; E85-G92 PolarHBondContact N-O 2.81Å; E85-G92 PolarHBondContact O-N 3.39Å; G92-R170 CarbonylContact C-O 3.49Å; G92-R170 WeakPolarHBondContact CA-O 3.47Å; G92-K171 WeakPolarHBondContact CA-O 3.27Å; G92-K171 PolarHBondContact N-O 3.43Å
93	F	94.1	Very high	82.3	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.3	-176	-55.6	-25.1	0	0	0	110.3	F84 L91 F140 I142 G169 R170 A173 I174 I193	F84-F93 AromaticContact CD1-CD1 3.49Å; F84-F93 HydrophobicContact CD1-CD1 3.49Å; F84-F93 VanDerWaalsContact CD1-CD1 3.49Å; F84-F93 AromaticContact CD1-CE1 3.84Å; F84-F93 HydrophobicContact CD1-CE1 3.84Å; F84-F93 HydrophobicContact CD1-CG 4.32Å; F84-F93 AromaticContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CE1 4.22Å; F84-F93 HydrophobicContact CE1-CG 4.47Å; L91-F93 HydrophobicContact CD2-CE1 3.53Å; L91-F93 HydrophobicContact CD2-CZ 4.06Å; L91-F93 HydrophobicContact CG-CD1 4.31Å; L91-F93 HydrophobicContact CG-CE1 3.63Å; L91-F93 HydrophobicContact CG-CZ 4.44Å; F93-F140 HydrophobicContact CB-CD1 4.42Å; F93-F140 HydrophobicContact CB-CD2 4.22Å; F93-F140 HydrophobicContact CB-CE2 4.3Å; F93-F140 HydrophobicContact CB-CG 4.27Å; F93-F140 HydrophobicContact CB-CZ 4.44Å; F93-F140 HydrophobicContact CD2-CB 3.98Å; F93-F140 HydrophobicContact CD2-CD1 4.42Å; F93-F140 HydrophobicContact CD2-CG 4.15Å; F93-I142 HydrophobicContact CE2-CD1 3.59Å; F93-I142 HydrophobicContact CE2-CG1 3.67Å; F93-I142 HydrophobicContact CZ-CD1 3.49Å; F93-I142 VanDerWaalsContact CZ-CD1 3.49Å; F93-I142 HydrophobicContact CZ-CG1 3.81Å; F93-G169 CarbonylContact O-C 3.42Å; F93-G169 WeakPolarHBondContact O-CA 3.47Å; F93-R170 PolarHBondContact N-O 2.88Å; F93-R170 PolarHBondContact O-N 2.98Å; F93-A173 HydrophobicContact CB-CB 4.43Å; F93-A173 HydrophobicContact CD1-CB 4.37Å; F93-A173 HydrophobicContact CD2-CB 3.54Å; F93-A173 HydrophobicContact CE2-CB 3.82Å; F93-A173 HydrophobicContact CG-CB 3.85Å; F93-A173 HydrophobicContact CZ-CB 4.39Å; F93-I174 HydrophobicContact CZ-CG2 4.31Å; F93-I193 HydrophobicContact CE1-CD1 3.99Å; F93-I193 HydrophobicContact CZ-CD1 3.98Å
94	Y	94.6	Very high	79.5	Confident	27 Å²	27	62.3 Å²	62.3	11%	0.106	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128	-178.2	-55.8	-91.9	0	0	0	110.4	V82 R83 E85 R167 H168 K171	V82-Y94 CarbonylContact C-O 3.54Å; V82-Y94 VanDerWaalsContact CA-O 3.3Å; V82-Y94 WeakPolarHBondContact CA-O 3.36Å; R83-Y94 PolarHBondContact N-O 2.91Å; R83-Y94 PolarHBondContact O-N 3.32Å; E85-Y94 HydrophobicContact CB-CE2 4.14Å; E85-Y94 HydrophobicContact CG-CD2 4.26Å; E85-Y94 HydrophobicContact CG-CE2 4.06Å; E85-Y94 WeakPolarHBondContact OE2-CE2 3.38Å; Y94-R167 HydrophobicContact CD1-CG 4.13Å; Y94-R167 HydrophobicContact CG-CG 4.47Å; Y94-R167 VanDerWaalsContact CZ-NH2 3.26Å; Y94-H168 WeakPolarHBondContact CA-O 3.48Å; Y94-K171 VanDerWaalsContact OH-CA 3.22Å; Y94-K171 WeakPolarHBondContact OH-CA 3.45Å; Y94-K171 VanDerWaalsContact OH-CB 3.27Å; Y94-K171 WeakPolarHBondContact OH-CB 3.48Å; Y94-K171 WeakPolarHBondContact OH-CG 3.39Å
95	L	96.7	Very high	76.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.9	166.8	179.4	60.7	0	0	0	108.1	F73 W80 V82 L136 F138 F140 F161 H168 L195 L197	F73-L95 HydrophobicContact CZ-CD1 4.03Å; W80-L95 HydrophobicContact CB-CD1 4.28Å; W80-L95 HydrophobicContact CE3-CD1 3.91Å; W80-L95 HydrophobicContact CE3-CD2 4.27Å; W80-L95 HydrophobicContact CE3-CG 3.88Å; W80-L95 HydrophobicContact CZ3-CD2 4.32Å; W80-L95 HydrophobicContact CZ3-CG 4.2Å; V82-L95 HydrophobicContact CG2-CD1 4.27Å; L95-L136 HydrophobicContact CD2-CD1 4.2Å; L95-F138 HydrophobicContact CD2-CB 4.05Å; L95-F138 HydrophobicContact CD2-CD1 4.1Å; L95-F138 HydrophobicContact CD2-CG 4.06Å; L95-F140 HydrophobicContact CB-CE2 4.37Å; L95-F140 HydrophobicContact CB-CZ 4.29Å; L95-F161 HydrophobicContact CB-CZ 4.36Å; L95-F161 HydrophobicContact CD2-CE2 4.41Å; L95-F161 HydrophobicContact CD2-CZ 3.82Å; L95-F161 HydrophobicContact CG-CE1 4.33Å; L95-F161 HydrophobicContact CG-CZ 4.08Å; L95-H168 PolarHBondContact N-O 2.8Å; L95-H168 PolarHBondContact O-N 2.77Å; L95-L195 HydrophobicContact CD1-CD2 3.99Å; L95-L197 HydrophobicContact CD2-CD2 3.69Å
96	E	94.2	Very high	73.4	Confident	23 Å²	23	73 Å²	73	11%	0.107	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	-176	-66.5	-171.1	-151.2	0	0	110.8	W80 F81 R83 C166 R167	W80-E96 WeakPolarHBondContact CA-O 3.47Å; F81-E96 HydrophobicContact CD1-CB 4.14Å; F81-E96 HydrophobicContact CD2-CB 4.37Å; F81-E96 HydrophobicContact CE1-CB 3.62Å; F81-E96 HydrophobicContact CE2-CB 3.88Å; F81-E96 HydrophobicContact CE2-CG 4.33Å; F81-E96 HydrophobicContact CG-CB 4.49Å; F81-E96 HydrophobicContact CZ-CB 3.47Å; F81-E96 VanDerWaalsContact CZ-CB 3.47Å; F81-E96 HydrophobicContact CZ-CG 4.17Å; F81-E96 VanDerWaalsContact CZ-OE2 3.25Å; F81-E96 WeakPolarHBondContact CZ-OE2 3.34Å; F81-E96 PolarHBondContact N-O 3.31Å; F81-E96 VanDerWaalsContact N-O 3.08Å; F81-E96 PolarHBondContact O-N 3.12Å; R83-E96 WeakPolarHBondContact CB-OE1 3.33Å; R83-E96 VanDerWaalsContact CD-OE1 3.27Å; R83-E96 WeakPolarHBondContact CD-OE1 3.41Å; E96-C166 WeakPolarHBondContact CA-O 3.22Å; E96-R167 HydrophobicContact CG-CB 3.81Å; E96-R167 HydrophobicContact CG-CG 3.62Å; E96-R167 WeakPolarHBondContact OE1-CD 3.12Å; E96-R167 IonicContact OE1-CZ 3.03Å; E96-R167 IonicContact OE1-NE 2.65Å; E96-R167 PolarHBondContact OE1-NE 3.25Å
97	L	93	Very high	70.5	Confident	14 Å²	14	76 Å²	76	7%	0.073	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127	173.1	175.8	65.3	0	0	0	109.2	H78 W80 T99 I134 F161 C166	H78-L97 HydrophobicContact CB-CD1 3.73Å; W80-L97 HydrophobicContact CD2-CD1 4.08Å; W80-L97 HydrophobicContact CE3-CB 3.9Å; W80-L97 HydrophobicContact CE3-CD1 4.19Å; W80-L97 HydrophobicContact CH2-CB 4.05Å; W80-L97 HydrophobicContact CH2-CD1 3.86Å; W80-L97 HydrophobicContact CH2-CG 4.38Å; W80-L97 HydrophobicContact CZ2-CD1 3.72Å; W80-L97 HydrophobicContact CZ3-CB 3.61Å; W80-L97 HydrophobicContact CZ3-CD1 4.1Å; W80-L97 HydrophobicContact CZ3-CG 4.38Å; L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.98Å; L97-T99 PolarHBondContact O-N 2.9Å; L97-I134 HydrophobicContact CD1-CD1 3.89Å; L97-I134 HydrophobicContact CD2-CD1 3.8Å; L97-F161 HydrophobicContact CB-CB 4.49Å; L97-F161 HydrophobicContact CB-CD1 4.29Å; L97-F161 HydrophobicContact CD2-CB 4.08Å; L97-C166 HydrophobicContact CB-CB 4.27Å; L97-C166 PolarHBondContact N-O 2.86Å
98	I	88.9	Confident	67.5	Low	50 Å²	50	79.3 Å²	79.3	26%	0.256	42%	0.421	S	S	.	.			trans	-74.6	110.1	171.4	-57.5	-174.7	0	0	0	108.3	V72 E79 F81	V72-I98 HydrophobicContact CB-CD1 4.29Å; V72-I98 HydrophobicContact CG1-CD1 3.58Å; V72-I98 HydrophobicContact CG2-CD1 3.69Å; E79-I98 HydrophobicContact CB-CB 4.12Å; E79-I98 HydrophobicContact CB-CD1 3.94Å; E79-I98 HydrophobicContact CB-CG1 4.29Å; E79-I98 WeakPolarHBondContact O-CB 3.32Å; E79-I98 PolarHBondContact O-N 3.07Å; F81-I98 HydrophobicContact CD1-CD1 3.99Å; F81-I98 HydrophobicContact CD1-CG1 3.61Å; F81-I98 HydrophobicContact CE1-CG1 3.91Å
99	T	79.8	Confident	64.7	Low	43 Å²	43	79.2 Å²	79.2	26%	0.264	42%	0.42	S	S	.	.			trans	-105.6	127.5	173	62	0	0	0	0	108.7	L97 K101 C166	L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.98Å; L97-T99 PolarHBondContact O-N 2.9Å; T99-K101 PolarHBondContact O-N 3.38Å; T99-C166 HydrophobicContact CG2-CB 4.12Å
100	Q	64.4	Low	61.9	Low	158 Å²	158	81.7 Å²	81.7	74%	0.738	43%	0.428	S	S	*	.			trans	-61.6	108.3	166.3	-69.2	175.4	-26.5	0	0	107.3	S102	Q100-S102 PolarHBondContact O-N 3.22Å
101	K	51.1	Low	58.9	Low	180 Å²	180	85.9 Å²	85.9	78%	0.783	46%	0.457	S	S	*	.			trans	-63.2	108.3	164.6	-73.9	-174.5	179.3	-179.2	0	105	T99 E103	T99-K101 PolarHBondContact O-N 3.38Å; K101-E103 PolarHBondContact O-N 2.91Å
102	S	41.7	Very low	55.8	Low	72 Å²	72	90.9 Å²	90.9	50%	0.503	49%	0.492	S	S	.	.			trans	-50	107.9	176.9	164.6	0	0	0	0	109.3	Q100 N104	Q100-S102 PolarHBondContact O-N 3.22Å; S102-N104 PolarHBondContact O-N 2.93Å; S102-N104 VanDerWaalsContact O-N 3.09Å; S102-N104 WeakPolarHBondContact OG-CB 3.03Å; S102-N104 PolarHBondContact OG-N 3.37Å
103	E	37.6	Very low	52.9	Low	174 Å²	174	95.5 Å²	95.5	81%	0.813	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-7.5	170.3	-70.5	-177.4	159.4	0	0	111.7	K101 C105 E106	K101-E103 PolarHBondContact O-N 2.91Å; E103-C105 PolarHBondContact O-N 2.97Å; E103-C105 VanDerWaalsContact O-N 3.11Å; E103-E106 PolarHBondContact O-N 3.38Å
104	N	32.9	Very low	49.8	Very low	153 Å²	153	103.6 Å²	103.6	82%	0.818	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	11.1	176.4	-69.2	-10.2	0	0	0	115.3	S102	S102-N104 PolarHBondContact O-N 2.93Å; S102-N104 VanDerWaalsContact O-N 3.09Å; S102-N104 WeakPolarHBondContact OG-CB 3.03Å; S102-N104 PolarHBondContact OG-N 3.37Å
105	C	28.6	Very low	46.8	Very low	102 Å²	102	109.1 Å²	109.1	69%	0.689	59%	0.592	S	S	*	*			trans	-105.7	50.9	160.5	-76.5	0	0	0	0	110.4	E103 T107	E103-C105 PolarHBondContact O-N 2.97Å; E103-C105 VanDerWaalsContact O-N 3.11Å; C105-T107 PolarHBondContact O-N 3Å
106	E	25.7	Very low	43.4	Very low	165 Å²	165	115.2 Å²	115.2	77%	0.771	63%	0.631	S	S	*	*			trans	-63.2	89.9	149	-72.2	-170.5	170.6	0	0	107.3	E103 T108	E103-E106 PolarHBondContact O-N 3.38Å; E106-T108 PolarHBondContact O-N 2.86Å
107	T	26.4	Very low	40.5	Very low	116 Å²	116	120.8 Å²	120.8	71%	0.712	66%	0.66	S	S	*	*			trans	-54.1	90.3	148.7	22	0	0	0	0	106.3	C105 L109	C105-T107 PolarHBondContact O-N 3Å; T107-L109 PolarHBondContact O-N 3.45Å
108	T	24.9	Very low	37.4	Very low	109 Å²	109	126.7 Å²	126.7	67%	0.669	69%	0.692	S	S	*	*			trans	-59.4	84.2	154.3	36.7	0	0	0	0	106	E106 I110	E106-T108 PolarHBondContact O-N 2.86Å; T108-I110 PolarHBondContact O-N 3.37Å
109	L	25.8	Very low	34.5	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	72%	0.718	S	S	*	*			trans	-64.8	75.1	162.4	-78.3	160.7	0	0	0	106.2	T107 T111	T107-L109 PolarHBondContact O-N 3.45Å; L109-T111 PolarHBondContact O-N 2.98Å
110	I	28.2	Very low	32.1	Very low	138 Å²	138	135.7 Å²	135.7	71%	0.708	74%	0.738	S	S	*	*			trans	-68.4	96.6	159	-59.4	173.8	0	0	0	103.4	T108 S112	T108-I110 PolarHBondContact O-N 3.37Å; I110-S112 PolarHBondContact O-N 3.21Å
111	T	25.6	Very low	30.5	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	74%	0.743	S	S	*	*			trans	-61.6	83	167.5	41.8	0	0	0	0	108	L109 S113	L109-T111 PolarHBondContact O-N 2.98Å; T111-S113 VanDerWaalsContact C-N 3.34Å; T111-S113 PolarHBondContact O-N 2.99Å; T111-S113 VanDerWaalsContact O-N 3.12Å
112	S	26.4	Very low	29.6	Very low	106 Å²	106	135 Å²	135	74%	0.741	74%	0.743	S	S	*	*			trans	-79.5	86	171.5	65.6	0	0	0	0	108.4	I110	I110-S112 PolarHBondContact O-N 3.21Å
113	S	29.1	Very low	29.2	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	76%	0.762	S	S	*	*			trans	-73.7	127.3	154.9	57.7	0	0	0	0	108.1	T111	T111-S113 VanDerWaalsContact C-N 3.34Å; T111-S113 PolarHBondContact O-N 2.99Å; T111-S113 VanDerWaalsContact O-N 3.12Å
114	Q	29.4	Very low	29.2	Very low	174 Å²	174	136 Å²	136	81%	0.813	75%	0.751	S	S	*	*	S	Bend	trans	78.1	88.8	162.5	-52.8	170.9	4.8	0	0	116.1
115	I	31.7	Very low	29.4	Very low	143 Å²	143	132.9 Å²	132.9	73%	0.733	75%	0.746	S	S	*	*				-172.1	121.8	115.8	-83.3	145.3	0	0	0	107.1	I117	I115-I117 HydrophobicContact CG2-CD1 4.05Å; I115-I117 HydrophobicContact CG2-CG1 3.99Å; I115-I117 PolarHBondContact O-N 3.42Å
116	P	26.5	Very low	29.9	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	75%	0.754	S	S	*	*			trans	-88.6	106.7	-177.6	32.4	-28.6	0	0	0	110.7
117	I	31.9	Very low	30.7	Very low	139 Å²	139	139.6 Å²	139.6	71%	0.713	76%	0.755	S	S	*	*			trans	-132.6	102.2	166.6	-57.3	175.9	0	0	0	109	I115	I115-I117 HydrophobicContact CG2-CD1 4.05Å; I115-I117 HydrophobicContact CG2-CG1 3.99Å; I115-I117 PolarHBondContact O-N 3.42Å
118	N	27.8	Very low	31.8	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	75%	0.746	S	S	*	*			trans	41.5	118.5	143.5	-65.9	-26	0	0	0	120.8
119	K	28.4	Very low	33.4	Very low	184 Å²	184	135.5 Å²	135.5	80%	0.8	73%	0.732	S	S	*	*			trans	78.2	94.1	141.8	-63.7	179.6	179.8	-178.1	0	118	D121	K119-D121 PolarHBondContact O-N 2.85Å
120	S	29	Very low	35.5	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	71%	0.71	S	S	*	*				43.1	71.9	129.5	66.7	0	0	0	0	117.5
121	D	30.8	Very low	37.9	Very low	159 Å²	159	131.5 Å²	131.5	85%	0.85	70%	0.7	S	S	*	*			trans	-108.9	110.3	144.7	-86.5	-35.3	0	0	0	107.1	K119 N123	K119-D121 PolarHBondContact O-N 2.85Å; D121-N123 PolarHBondContact O-N 3.39Å; D121-N123 VanDerWaalsContact O-N 3.07Å
122	H	33.9	Very low	40.9	Very low	165 Å²	165	127.8 Å²	127.8	76%	0.764	67%	0.673	S	S	*	*			trans	-50.2	118.6	171.8	-73.2	-82.3	0	0	0	108	V124	H122-V124 HydrophobicContact CB-CG2 3.75Å; H122-V124 PolarHBondContact O-N 2.91Å
123	N	31.9	Very low	44.1	Very low	169 Å²	169	124.5 Å²	124.5	90%	0.904	65%	0.649	S	S	*	*			trans	-61.6	67.8	157.6	-80.4	-31.6	0	0	0	107.9	D121 A125	D121-N123 PolarHBondContact O-N 3.39Å; D121-N123 VanDerWaalsContact O-N 3.07Å; N123-A125 PolarHBondContact O-N 3.33Å
124	V	37.8	Very low	47.2	Very low	98 Å²	98	119.8 Å²	119.8	59%	0.594	62%	0.616	S	S	*	*			trans	-66.9	97.3	162.9	-177.8	0	0	0	0	102.8	H122 K126	H122-V124 HydrophobicContact CB-CG2 3.75Å; H122-V124 PolarHBondContact O-N 2.91Å; V124-K126 PolarHBondContact O-N 3.12Å
125	A	37.8	Very low	50.4	Low	86 Å²	86	112.2 Å²	112.2	71%	0.711	58%	0.582	S	S	*	*			trans	-40.7	111.2	163.6	0	0	0	0	0	105.8	N123 R127	N123-A125 PolarHBondContact O-N 3.33Å; A125-R127 PolarHBondContact O-N 3.37Å
126	K	39.8	Very low	53.5	Low	198 Å²	198	105.5 Å²	105.5	86%	0.861	55%	0.547	S	S	*	.			trans	-50.4	107.9	-174.1	-80.6	179.1	176.7	175.9	0	105.9	V124	V124-K126 PolarHBondContact O-N 3.12Å
127	R	42	Very low	56.9	Low	211 Å²	211	100.2 Å²	100.2	80%	0.796	51%	0.512	S	S	*	.			trans	-53	139.6	177.1	-75.6	-179	179.8	167.5	-1	106.4	A125 T129	A125-R127 PolarHBondContact O-N 3.37Å; R127-T129 PolarHBondContact O-N 3.41Å; R127-T129 VanDerWaalsContact O-N 3.08Å
128	P	50.2	Low	60	Low	80 Å²	80	93.7 Å²	93.7	52%	0.519	48%	0.478	S	S	.	.			trans	-53.3	124.7	177.2	23.2	-32.5	0	0	0	108	Q130	P128-Q130 PolarHBondContact O-N 3.16Å; P128-Q130 VanDerWaalsContact O-N 3.13Å
129	T	56.8	Low	63.2	Low	59 Å²	59	90.3 Å²	90.3	36%	0.362	46%	0.458	S	S	.	.	S	Bend	trans	-69.7	-7.3	-176.3	55.2	0	0	0	0	112.6	R127 Q207 D254	R127-T129 PolarHBondContact O-N 3.41Å; R127-T129 VanDerWaalsContact O-N 3.08Å; T129-Q207 PolarHBondContact O-N 3.33Å; T129-D254 WeakPolarHBondContact CB-OD2 3.28Å; T129-D254 WeakPolarHBondContact CG2-OD2 3.45Å; T129-D254 PolarHBondContact OG1-OD2 3.38Å
130	Q	69.6	Low	66.5	Low	66 Å²	66	81.7 Å²	81.7	31%	0.308	42%	0.421	S	S	.	.			trans	-131.6	143.5	175.3	60.6	-176.2	-39.6	0	0	110.3	P128 K205 L206	P128-Q130 PolarHBondContact O-N 3.16Å; P128-Q130 VanDerWaalsContact O-N 3.13Å; Q130-K205 VanDerWaalsContact CA-O 3.3Å; Q130-K205 WeakPolarHBondContact CA-O 3.48Å; Q130-L206 HydrophobicContact CB-CD2 4.46Å
131	W	79	Confident	69.4	Low	134 Å²	134	78 Å²	78	51%	0.508	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.3	160.2	58.4	64.6	0	0	0	109.7	K205	W131-K205 HydrophobicContact CD2-CB 4.39Å; W131-K205 HydrophobicContact CG-CB 4.33Å; W131-K205 HydrophobicContact CZ2-CB 4.29Å; W131-K205 HydrophobicContact CZ2-CD 3.65Å; W131-K205 HydrophobicContact CZ2-CG 4.44Å; W131-K205 PolarHBondContact N-O 3.03Å; W131-K205 VanDerWaalsContact NE1-CB 3.26Å; W131-K205 VanDerWaalsContact NE1-CE 3.29Å; W131-K205 PolarHBondContact O-N 2.78Å
132	K	89.7	Confident	72.3	Confident	49 Å²	49	70.6 Å²	70.6	21%	0.213	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.7	-173.7	-175.8	172.7	-173.3	172.1	0	108.9	H78 I204 S257	H78-K132 PolarHBondContact CD2-NZ 3.24Å; H78-K132 VanDerWaalsContact CD2-NZ 3.27Å; H78-K132 WeakPolarHBondContact NE2-CE 3.46Å; H78-K132 PolarHBondContact NE2-NZ 3.03Å; K132-I204 HydrophobicContact CG-CG1 4.34Å; K132-S257 PolarHBondContact NZ-O 3.27Å
133	T	92.5	Very high	74.8	Confident	36 Å²	36	64.5 Å²	64.5	22%	0.221	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	-179.6	55.2	0	0	0	0	108.1	T160 F161 T162 C203	T133-T160 HydrophobicContact CG2-CG2 4.44Å; T133-F161 WeakPolarHBondContact CA-O 3.46Å; T133-T162 HydrophobicContact CG2-CG2 3.96Å; T133-C203 PolarHBondContact N-O 2.77Å; T133-C203 PolarHBondContact O-N 2.77Å; T133-C203 WeakPolarHBondContact OG1-CB 3.4Å; T133-C203 PolarHBondContact OG1-O 3.35Å
134	I	94.9	Very high	77.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.4	174.9	-56.5	168.8	0	0	0	107.1	H78 W80 L97 L136 T160 F161 H201 V202	H78-I134 HydrophobicContact CB-CD1 4.15Å; H78-I134 WeakPolarHBondContact ND1-CD1 3.35Å; W80-I134 HydrophobicContact CH2-CG2 4.2Å; W80-I134 HydrophobicContact CZ2-CD1 4.24Å; W80-I134 HydrophobicContact CZ2-CG2 4.01Å; L97-I134 HydrophobicContact CD1-CD1 3.89Å; L97-I134 HydrophobicContact CD2-CD1 3.8Å; I134-L136 HydrophobicContact CG2-CD2 4.4Å; I134-T160 CarbonylContact O-C 3.59Å; I134-F161 HydrophobicContact CB-CB 4.43Å; I134-F161 PolarHBondContact N-O 2.88Å; I134-F161 PolarHBondContact O-N 3.32Å; I134-H201 CarbonylContact C-O 3.56Å; I134-H201 WeakPolarHBondContact CA-O 3.26Å; I134-V202 HydrophobicContact CG1-CG1 4.25Å; I134-V202 HydrophobicContact CG1-CG2 4.19Å; I134-V202 HydrophobicContact CG2-CG2 4.15Å
135	T	96.2	Very high	79.4	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.2	174	56.8	0	0	0	0	109.5	C159 T160 P200 H201	T135-C159 WeakPolarHBondContact CA-O 3.4Å; T135-T160 HydrophobicContact CG2-CG2 3.77Å; T135-T160 VanDerWaalsContact CG2-OG1 3.31Å; T135-T160 WeakPolarHBondContact CG2-OG1 2.97Å; T135-P200 CarbonylContact O-C 3.46Å; T135-P200 WeakPolarHBondContact O-CA 3.45Å; T135-H201 PolarHBondContact N-O 3.01Å; T135-H201 PolarHBondContact O-N 2.81Å; T135-H201 WeakPolarHBondContact OG1-CB 3.42Å; T135-H201 PolarHBondContact OG1-ND1 2.85Å; T135-H201 PolarHBondContact OG1-O 3.31Å
136	L	96.9	Very high	81.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.7	175.5	59.5	80.5	0	0	0	110.6	Y75 W80 L95 I134 F138 C159 F161 L197	Y75-L136 HydrophobicContact CD1-CD2 3.96Å; Y75-L136 HydrophobicContact CE1-CD2 3.89Å; W80-L136 HydrophobicContact CH2-CD2 3.73Å; W80-L136 HydrophobicContact CZ2-CD2 3.78Å; W80-L136 HydrophobicContact CZ3-CD2 4.44Å; L95-L136 HydrophobicContact CD2-CD1 4.2Å; I134-L136 HydrophobicContact CG2-CD2 4.4Å; L136-F138 HydrophobicContact CD1-CB 3.9Å; L136-F138 HydrophobicContact CD1-CD1 4.03Å; L136-F138 HydrophobicContact CD1-CG 4.47Å; L136-C159 PolarHBondContact N-O 2.96Å; L136-C159 VanDerWaalsContact N-O 3.13Å; L136-C159 WeakPolarHBondContact O-CB 3.42Å; L136-C159 PolarHBondContact O-N 2.78Å; L136-F161 HydrophobicContact CD1-CE2 3.93Å; L136-F161 HydrophobicContact CD2-CE2 4.45Å; L136-F161 HydrophobicContact CG-CD2 4.33Å; L136-F161 HydrophobicContact CG-CE2 4Å; L136-L197 HydrophobicContact CD1-CD2 4.08Å
137	D	97.4	Very high	83.1	Confident	18 Å²	18	48.1 Å²	48.1	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140	164.5	-38.6	-43	0	0	0	109.3	K156 S157 N158 L197 R198 N199	D137-K156 WeakPolarHBondContact CA-O 3.19Å; D137-S157 WeakPolarHBondContact OD1-CA 3.11Å; D137-S157 WeakPolarHBondContact OD1-CB 3.38Å; D137-N158 PolarHBondContact OD1-N 3.28Å; D137-L197 WeakPolarHBondContact O-CA 3.08Å; D137-R198 HydrophobicContact CB-CG 3.56Å; D137-R198 PolarHBondContact N-O 3.29Å; D137-R198 PolarHBondContact O-N 2.77Å; D137-R198 IonicContact OD2-CZ 2.77Å; D137-R198 IonicContact OD2-NE 3.84Å; D137-R198 PolarHBondContact OD2-NE 2.84Å; D137-R198 IonicContact OD2-NH2 2.96Å; D137-N199 PolarHBondContact OD2-ND2 3.42Å
138	F	96.9	Very high	84.8	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.2	173.2	71.7	-94.9	0	0	0	111.9	L95 L136 F140 F154 S155 K156 C159 F161 H168 L195 G196 L197	L95-F138 HydrophobicContact CD2-CB 4.05Å; L95-F138 HydrophobicContact CD2-CD1 4.1Å; L95-F138 HydrophobicContact CD2-CG 4.06Å; L136-F138 HydrophobicContact CD1-CB 3.9Å; L136-F138 HydrophobicContact CD1-CD1 4.03Å; L136-F138 HydrophobicContact CD1-CG 4.47Å; F138-F140 AromaticContact CD2-CD2 3.8Å; F138-F140 HydrophobicContact CD2-CD2 3.8Å; F138-F140 AromaticContact CD2-CE2 3.69Å; F138-F140 HydrophobicContact CD2-CE2 3.69Å; F138-F140 AromaticContact CE2-CD2 3.8Å; F138-F140 HydrophobicContact CE2-CD2 3.8Å; F138-F140 AromaticContact CE2-CE2 3.64Å; F138-F140 HydrophobicContact CE2-CE2 3.64Å; F138-F154 HydrophobicContact CE2-CD1 4.44Å; F138-F154 AromaticContact CE2-CE1 3.77Å; F138-F154 HydrophobicContact CE2-CE1 3.77Å; F138-F154 HydrophobicContact CE2-CZ 4.49Å; F138-F154 HydrophobicContact CZ-CE1 4.26Å; F138-S155 CarbonylContact O-C 3.55Å; F138-S155 VanDerWaalsContact O-CA 3.24Å; F138-S155 WeakPolarHBondContact O-CA 3.33Å; F138-K156 HydrophobicContact CD1-CB 4.24Å; F138-K156 HydrophobicContact CE1-CB 3.76Å; F138-K156 HydrophobicContact CE1-CD 4.1Å; F138-K156 HydrophobicContact CE1-CG 4.49Å; F138-K156 HydrophobicContact CE2-CB 4.39Å; F138-K156 HydrophobicContact CZ-CB 3.86Å; F138-K156 HydrophobicContact CZ-CD 3.71Å; F138-K156 HydrophobicContact CZ-CG 4.19Å; F138-K156 PolarHBondContact N-O 3.39Å; F138-K156 PolarHBondContact O-N 3.18Å; F138-C159 HydrophobicContact CD1-CB 4.19Å; F138-C159 HydrophobicContact CE1-CB 3.98Å; F138-F161 HydrophobicContact CD1-CZ 4.39Å; F138-F161 HydrophobicContact CE1-CZ 4.23Å; F138-H168 HydrophobicContact CE1-CB 4.05Å; F138-H168 HydrophobicContact CZ-CB 4.21Å; F138-L195 HydrophobicContact CB-CD1 4.11Å; F138-L195 HydrophobicContact CD2-CD1 4.45Å; F138-G196 CarbonylContact C-O 3.57Å; F138-G196 VanDerWaalsContact CA-O 3.24Å; F138-G196 WeakPolarHBondContact CA-O 3.41Å; F138-L197 HydrophobicContact CB-CD2 3.42Å; F138-L197 VanDerWaalsContact CB-CD2 3.42Å
139	E	96.3	Very high	86.2	Confident	68 Å²	68	42 Å²	42	32%	0.318	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	122.1	177.4	177.5	170	-145.7	0	0	110.5	F154 L195 G196	E139-F154 CarbonylContact C-O 3.58Å; E139-F154 WeakPolarHBondContact CA-O 3.42Å; E139-L195 CarbonylContact O-C 3.6Å; E139-L195 VanDerWaalsContact O-CA 3.32Å; E139-L195 WeakPolarHBondContact O-CA 2.82Å; E139-G196 PolarHBondContact N-O 2.91Å; E139-G196 PolarHBondContact O-N 3.24Å
140	F	96.4	Very high	87.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.6	167.2	-74	-79.7	0	0	0	109.7	V82 F93 L95 F138 C153 F154 I193 E194 L195	V82-F140 HydrophobicContact CB-CE1 4.46Å; V82-F140 HydrophobicContact CG1-CE1 3.66Å; V82-F140 HydrophobicContact CG1-CZ 3.85Å; V82-F140 HydrophobicContact CG2-CE1 3.9Å; V82-F140 HydrophobicContact CG2-CZ 3.94Å; F93-F140 HydrophobicContact CB-CD1 4.42Å; F93-F140 HydrophobicContact CB-CD2 4.22Å; F93-F140 HydrophobicContact CB-CE2 4.3Å; F93-F140 HydrophobicContact CB-CG 4.27Å; F93-F140 HydrophobicContact CB-CZ 4.44Å; F93-F140 HydrophobicContact CD2-CB 3.98Å; F93-F140 HydrophobicContact CD2-CD1 4.42Å; F93-F140 HydrophobicContact CD2-CG 4.15Å; L95-F140 HydrophobicContact CB-CE2 4.37Å; L95-F140 HydrophobicContact CB-CZ 4.29Å; F138-F140 AromaticContact CD2-CD2 3.8Å; F138-F140 HydrophobicContact CD2-CD2 3.8Å; F138-F140 AromaticContact CD2-CE2 3.69Å; F138-F140 HydrophobicContact CD2-CE2 3.69Å; F138-F140 AromaticContact CE2-CD2 3.8Å; F138-F140 HydrophobicContact CE2-CD2 3.8Å; F138-F140 AromaticContact CE2-CE2 3.64Å; F138-F140 HydrophobicContact CE2-CE2 3.64Å; F140-C153 CarbonylContact O-C 3.56Å; F140-C153 WeakPolarHBondContact O-CA 3.34Å; F140-F154 HydrophobicContact CD2-CD1 4.19Å; F140-F154 PolarHBondContact N-O 3.33Å; F140-F154 PolarHBondContact O-N 3.37Å; F140-I193 HydrophobicContact CD1-CG2 4.05Å; F140-E194 CarbonylContact C-O 3.54Å; F140-E194 VanDerWaalsContact CA-O 3.32Å; F140-E194 WeakPolarHBondContact CA-O 3.41Å; F140-L195 HydrophobicContact CD1-CB 4.26Å; F140-L195 HydrophobicContact CD1-CD1 4.08Å; F140-L195 HydrophobicContact CD2-CD1 4.25Å; F140-L195 HydrophobicContact CE1-CB 4.08Å; F140-L195 HydrophobicContact CE1-CD1 3.8Å; F140-L195 HydrophobicContact CE1-CD2 4.31Å; F140-L195 HydrophobicContact CE1-CG 4.28Å; F140-L195 HydrophobicContact CE2-CD1 3.99Å; F140-L195 HydrophobicContact CG-CD1 4.31Å; F140-L195 HydrophobicContact CZ-CD1 3.76Å; F140-L195 HydrophobicContact CZ-CD2 4.36Å
141	T	91.6	Very high	88.2	Confident	21 Å²	21	41.7 Å²	41.7	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.5	174.9	-61.3	0	0	0	0	110	K143 N151 E152 E194	T141-K143 HydrophobicContact CG2-CD 4.3Å; T141-N151 HydrophobicContact CG2-CB 3.86Å; T141-E152 CarbonylContact C-O 3.59Å; T141-E152 WeakPolarHBondContact CA-O 3.26Å; T141-E194 PolarHBondContact N-O 3.04Å; T141-E194 PolarHBondContact O-N 3.27Å
142	I	90.7	Very high	88.7	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.5	171	-48.3	174.8	0	0	0	107.9	F93 N151 E152 I174 L179 F184	F93-I142 HydrophobicContact CE2-CD1 3.59Å; F93-I142 HydrophobicContact CE2-CG1 3.67Å; F93-I142 HydrophobicContact CZ-CD1 3.49Å; F93-I142 VanDerWaalsContact CZ-CD1 3.49Å; F93-I142 HydrophobicContact CZ-CG1 3.81Å; I142-N151 WeakPolarHBondContact O-CA 3.43Å; I142-N151 WeakPolarHBondContact O-CB 3.44Å; I142-E152 PolarHBondContact N-O 2.8Å; I142-E152 PolarHBondContact O-N 3.04Å; I142-I174 HydrophobicContact CD1-CB 3.84Å; I142-I174 HydrophobicContact CD1-CD1 3.65Å; I142-I174 HydrophobicContact CD1-CG1 4.35Å; I142-I174 HydrophobicContact CD1-CG2 3.58Å; I142-L179 HydrophobicContact CG2-CD1 4.43Å; I142-F184 HydrophobicContact CB-CD1 4.32Å; I142-F184 HydrophobicContact CB-CE1 4.44Å; I142-F184 HydrophobicContact CG2-CB 4.37Å; I142-F184 HydrophobicContact CG2-CD1 3.62Å; I142-F184 HydrophobicContact CG2-CE1 4.22Å; I142-F184 HydrophobicContact CG2-CG 4.18Å
143	K	86.2	Confident	88.7	Confident	37 Å²	37	39.9 Å²	39.9	16%	0.161	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-81.2	127.1	-178	-64.5	-66.8	-174	-175.1	0	111.8	T141 N151 I192 E194	T141-K143 HydrophobicContact CG2-CD 4.3Å; K143-N151 WeakPolarHBondContact CA-OD1 3.27Å; K143-N151 WeakPolarHBondContact CD-ND2 2.78Å; K143-I192 HydrophobicContact CB-CB 4.17Å; K143-I192 HydrophobicContact CB-CG2 4.45Å; K143-I192 HydrophobicContact CG-CB 4.43Å; K143-I192 HydrophobicContact CG-CG2 4.16Å; K143-I192 PolarHBondContact N-O 2.85Å; K143-E194 VanDerWaalsContact CE-OE1 3.27Å; K143-E194 WeakPolarHBondContact CE-OE1 3.41Å; K143-E194 WeakPolarHBondContact CE-OE2 3.29Å; K143-E194 IonicContact NZ-OE1 3.5Å; K143-E194 IonicContact NZ-OE2 3.34Å; K143-E194 PolarHBondContact NZ-OE2 3.09Å
144	N	86	Confident	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-77.1	142.5	168.7	-167.8	-75	0	0	0	110.9	N146 F147 Q150 N151 K182 F184 Q672	N144-N146 VanDerWaalsContact C-N 3.29Å; N144-N146 PolarHBondContact O-N 3.44Å; N144-N146 WeakPolarHBondContact OD1-CB 3.46Å; N144-N146 PolarHBondContact OD1-N 2.85Å; N144-F147 WeakPolarHBondContact CB-O 3.21Å; N144-Q150 HydrophobicContact CB-CB 3.99Å; N144-N151 PolarHBondContact N-OD1 3.33Å; N144-K182 PolarHBondContact ND2-O 3.02Å; N144-F184 HydrophobicContact CB-CD1 4.21Å; N144-F184 HydrophobicContact CB-CE1 3.85Å; N144-Q672 PolarHBondContact O-NE2 2.9Å
145	R	81.3	Confident	88.5	Confident	57 Å²	57	42.6 Å²	42.6	22%	0.215	22%	0.224	C	C	.	.	S	Bend	trans	-68.7	-24.1	-179.5	-70.4	175.1	62.6	-172.9	3.7	114.4	R183 L185 D187 I668 R671	R145-R183 WeakPolarHBondContact CB-O 3.32Å; R145-R183 WeakPolarHBondContact CG-O 3.32Å; R145-R183 PolarHBondContact N-O 3.39Å; R145-L185 WeakPolarHBondContact CD-O 3.31Å; R145-L185 PolarHBondContact NH1-O 2.95Å; R145-D187 IonicContact CZ-OD1 2.87Å; R145-D187 IonicContact NH1-OD1 3.95Å; R145-D187 PolarHBondContact NH1-OD1 3.24Å; R145-D187 IonicContact NH2-OD1 2.89Å; R145-D187 PolarHBondContact NH2-OD1 2.8Å; R145-D187 IonicContact NH2-OD2 3.12Å; R145-I668 HydrophobicContact CB-CD1 4.28Å; R145-I668 HydrophobicContact CG-CD1 3.94Å; R145-R671 PolarHBondContact O-NH1 2.85Å
146	N	79.3	Confident	88.4	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.273	23%	0.234	S	C	.	.	S	Bend	trans	-101.1	-54.1	-170.8	-65.4	-19	0	0	0	113	N144 R183 Q675	N144-N146 VanDerWaalsContact C-N 3.29Å; N144-N146 PolarHBondContact O-N 3.44Å; N144-N146 WeakPolarHBondContact OD1-CB 3.46Å; N144-N146 PolarHBondContact OD1-N 2.85Å; N146-R183 WeakPolarHBondContact ND2-CD 3.35Å; N146-Q675 PolarHBondContact O-NE2 2.88Å; N146-Q675 VanDerWaalsContact O-NE2 3.12Å
147	F	74.2	Confident	88.3	Confident	99 Å²	99	48.8 Å²	48.8	43%	0.434	26%	0.259	S	S	.	.			trans	-137.7	133.8	-169.2	-61.4	-72.5	0	0	0	111.7	N144 S149 Q150	N144-F147 WeakPolarHBondContact CB-O 3.21Å; F147-S149 PolarHBondContact O-N 2.98Å; F147-Q150 HydrophobicContact CB-CG 4.35Å; F147-Q150 PolarHBondContact O-N 3.4Å; F147-Q150 VanDerWaalsContact O-N 3.16Å
148	F	77.7	Confident	88.1	Confident	70 Å²	70	51.8 Å²	51.8	31%	0.307	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.9	-25.7	178	74.1	-90.2	0	0	0	113.1	Q150 N151 Q672 Q675 M676 E679	F148-Q150 PolarHBondContact O-N 3.35Å; F148-N151 VanDerWaalsContact O-CB 3.31Å; F148-N151 WeakPolarHBondContact O-CB 3.33Å; F148-N151 PolarHBondContact O-N 2.83Å; F148-N151 PolarHBondContact O-ND2 2.77Å; F148-Q672 HydrophobicContact CB-CB 4.17Å; F148-Q672 HydrophobicContact CB-CG 4.07Å; F148-Q675 HydrophobicContact CD1-CB 4.05Å; F148-Q675 HydrophobicContact CE1-CB 4.08Å; F148-M676 HydrophobicContact CE1-CB 4.35Å; F148-E679 HydrophobicContact CE1-CG 4.35Å; F148-E679 HydrophobicContact CZ-CG 4.3Å
149	S	79.6	Confident	87.9	Confident	92 Å²	92	52.3 Å²	52.3	64%	0.643	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-71.4	-16.3	178.1	54.8	0	0	0	0	113.9	F147	F147-S149 PolarHBondContact O-N 2.98Å
150	Q	83.4	Confident	87.8	Confident	88 Å²	88	51.4 Å²	51.4	41%	0.411	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-97.1	8.8	175.8	-64.4	-176.7	-4.6	0	0	112.5	N144 F147 F148 F184	N144-Q150 HydrophobicContact CB-CB 3.99Å; F147-Q150 HydrophobicContact CB-CG 4.35Å; F147-Q150 PolarHBondContact O-N 3.4Å; F147-Q150 VanDerWaalsContact O-N 3.16Å; F148-Q150 PolarHBondContact O-N 3.35Å; Q150-F184 WeakPolarHBondContact O-CE1 3.37Å; Q150-F184 VanDerWaalsContact O-CZ 3.26Å; Q150-F184 WeakPolarHBondContact O-CZ 3.33Å
151	N	86.5	Confident	87.7	Confident	30 Å²	30	51.3 Å²	51.3	16%	0.16	28%	0.277	C	S	.	.			trans	-65.8	134.9	173.2	-66.3	-18.7	0	0	0	109.4	T141 I142 K143 N144 F148	T141-N151 HydrophobicContact CG2-CB 3.86Å; I142-N151 WeakPolarHBondContact O-CA 3.43Å; I142-N151 WeakPolarHBondContact O-CB 3.44Å; K143-N151 WeakPolarHBondContact CA-OD1 3.27Å; K143-N151 WeakPolarHBondContact CD-ND2 2.78Å; N144-N151 PolarHBondContact N-OD1 3.33Å; F148-N151 VanDerWaalsContact O-CB 3.31Å; F148-N151 WeakPolarHBondContact O-CB 3.33Å; F148-N151 PolarHBondContact O-N 2.83Å; F148-N151 PolarHBondContact O-ND2 2.77Å
152	E	88	Confident	87.6	Confident	69 Å²	69	52 Å²	52	32%	0.322	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.5	173.3	-66.1	-75.7	177.5	0	0	107.6	T141 I142 I174 K182 F184	T141-E152 CarbonylContact C-O 3.59Å; T141-E152 WeakPolarHBondContact CA-O 3.26Å; I142-E152 PolarHBondContact N-O 2.8Å; I142-E152 PolarHBondContact O-N 3.04Å; E152-I174 HydrophobicContact CG-CD1 4.21Å; E152-K182 IonicContact OE1-NZ 2.74Å; E152-K182 PolarHBondContact OE1-NZ 3.4Å; E152-F184 HydrophobicContact CB-CZ 4.4Å; E152-F184 HydrophobicContact CG-CE1 4.29Å; E152-F184 HydrophobicContact CG-CE2 4.21Å; E152-F184 HydrophobicContact CG-CZ 3.58Å
153	C	90	Very high	87.3	Confident	76 Å²	76	56.6 Å²	56.6	51%	0.514	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.6	-179.1	60.4	0	0	0	0	111.5	F140	F140-C153 CarbonylContact O-C 3.56Å; F140-C153 WeakPolarHBondContact O-CA 3.34Å
154	F	91.7	Very high	87.2	Confident	29 Å²	29	63.9 Å²	63.9	13%	0.127	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	119.2	173.9	160.4	-108.4	0	0	0	108.2	F138 E139 F140 K156 R170	F138-F154 HydrophobicContact CE2-CD1 4.44Å; F138-F154 AromaticContact CE2-CE1 3.77Å; F138-F154 HydrophobicContact CE2-CE1 3.77Å; F138-F154 HydrophobicContact CE2-CZ 4.49Å; F138-F154 HydrophobicContact CZ-CE1 4.26Å; E139-F154 CarbonylContact C-O 3.58Å; E139-F154 WeakPolarHBondContact CA-O 3.42Å; F140-F154 HydrophobicContact CD2-CD1 4.19Å; F140-F154 PolarHBondContact N-O 3.33Å; F140-F154 PolarHBondContact O-N 3.37Å; F154-K156 HydrophobicContact CE1-CD 4.46Å; F154-K156 HydrophobicContact CE2-CD 4.34Å; F154-K156 HydrophobicContact CE2-CG 4.01Å; F154-K156 HydrophobicContact CZ-CD 3.63Å; F154-K156 HydrophobicContact CZ-CG 3.68Å; F154-R170 HydrophobicContact CD1-CB 3.98Å; F154-R170 HydrophobicContact CD2-CB 4.24Å; F154-R170 HydrophobicContact CE1-CB 3.63Å; F154-R170 HydrophobicContact CE2-CB 3.91Å; F154-R170 HydrophobicContact CE2-CG 4.42Å; F154-R170 HydrophobicContact CG-CB 4.25Å; F154-R170 HydrophobicContact CZ-CB 3.59Å
155	S	92.9	Very high	87.4	Confident	64 Å²	64	66.2 Å²	66.2	45%	0.448	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.3	179.2	57.6	0	0	0	0	112	F138	F138-S155 CarbonylContact O-C 3.55Å; F138-S155 VanDerWaalsContact O-CA 3.24Å; F138-S155 WeakPolarHBondContact O-CA 3.33Å
156	K	94.1	Very high	87.8	Confident	74 Å²	74	65.2 Å²	65.2	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.5	169.5	-82.2	-180	165.9	172.5	0	108	D137 F138 F154 G169	D137-K156 WeakPolarHBondContact CA-O 3.19Å; F138-K156 HydrophobicContact CD1-CB 4.24Å; F138-K156 HydrophobicContact CE1-CB 3.76Å; F138-K156 HydrophobicContact CE1-CD 4.1Å; F138-K156 HydrophobicContact CE1-CG 4.49Å; F138-K156 HydrophobicContact CE2-CB 4.39Å; F138-K156 HydrophobicContact CZ-CB 3.86Å; F138-K156 HydrophobicContact CZ-CD 3.71Å; F138-K156 HydrophobicContact CZ-CG 4.19Å; F138-K156 PolarHBondContact N-O 3.39Å; F138-K156 PolarHBondContact O-N 3.18Å; F154-K156 HydrophobicContact CE1-CD 4.46Å; F154-K156 HydrophobicContact CE2-CD 4.34Å; F154-K156 HydrophobicContact CE2-CG 4.01Å; F154-K156 HydrophobicContact CZ-CD 3.63Å; F154-K156 HydrophobicContact CZ-CG 3.68Å; K156-G169 PolarHBondContact NZ-O 2.86Å
157	S	94.4	Very high	88.4	Confident	73 Å²	73	66.9 Å²	66.9	51%	0.51	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149.2	177.7	-55.6	0	0	0	0	110.8	D137 C159 R198	D137-S157 WeakPolarHBondContact OD1-CA 3.11Å; D137-S157 WeakPolarHBondContact OD1-CB 3.38Å; S157-C159 VanDerWaalsContact C-N 3.3Å; S157-C159 PolarHBondContact O-N 3.48Å; S157-R198 PolarHBondContact OG-NH2 3.34Å
158	N	93	Very high	89.4	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.5	46.4	-177.5	-160.9	24.5	0	0	0	112.9	D137	D137-N158 PolarHBondContact OD1-N 3.28Å
159	C	93.5	Very high	90.1	Very high	13 Å²	13	61 Å²	61	9%	0.088	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.4	-178.2	-166.1	0	0	0	0	110	T135 L136 F138 S157 F161 H168	T135-C159 WeakPolarHBondContact CA-O 3.4Å; L136-C159 PolarHBondContact N-O 2.96Å; L136-C159 VanDerWaalsContact N-O 3.13Å; L136-C159 WeakPolarHBondContact O-CB 3.42Å; L136-C159 PolarHBondContact O-N 2.78Å; F138-C159 HydrophobicContact CD1-CB 4.19Å; F138-C159 HydrophobicContact CE1-CB 3.98Å; S157-C159 VanDerWaalsContact C-N 3.3Å; S157-C159 PolarHBondContact O-N 3.48Å; C159-F161 HydrophobicContact CB-CE2 4.08Å; C159-F161 WeakPolarHBondContact O-CD2 3.33Å; C159-H168 VanDerWaalsContact SG-CB 3.55Å; C159-H168 PolarHBondContact SG-CD2 2.94Å
160	T	94	Very high	90.7	Very high	49 Å²	49	62.3 Å²	62.3	30%	0.301	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.8	-178.8	-46.6	0	0	0	0	111.7	T133 I134 T135 T162 H168	T133-T160 HydrophobicContact CG2-CG2 4.44Å; I134-T160 CarbonylContact O-C 3.59Å; T135-T160 HydrophobicContact CG2-CG2 3.77Å; T135-T160 VanDerWaalsContact CG2-OG1 3.31Å; T135-T160 WeakPolarHBondContact CG2-OG1 2.97Å; T160-T162 HydrophobicContact CG2-CG2 4.07Å; T160-H168 PolarHBondContact O-CE1 3.15Å
161	F	93.7	Very high	91	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.2	170.8	-64.4	-96.7	0	0	0	110.1	W80 L95 L97 T133 I134 L136 F138 C159 S165 C166 H168	W80-F161 HydrophobicContact CH2-CB 4.17Å; W80-F161 HydrophobicContact CH2-CD1 4.16Å; W80-F161 AromaticContact CH2-CD2 3.81Å; W80-F161 HydrophobicContact CH2-CD2 3.81Å; W80-F161 HydrophobicContact CH2-CE2 4.24Å; W80-F161 AromaticContact CH2-CG 3.78Å; W80-F161 HydrophobicContact CH2-CG 3.78Å; W80-F161 HydrophobicContact CZ3-CB 4.46Å; W80-F161 AromaticContact CZ3-CD1 3.65Å; W80-F161 HydrophobicContact CZ3-CD1 3.65Å; W80-F161 AromaticContact CZ3-CD2 3.98Å; W80-F161 HydrophobicContact CZ3-CD2 3.98Å; W80-F161 AromaticContact CZ3-CE1 3.76Å; W80-F161 HydrophobicContact CZ3-CE1 3.76Å; W80-F161 HydrophobicContact CZ3-CE2 4.1Å; W80-F161 AromaticContact CZ3-CG 3.76Å; W80-F161 HydrophobicContact CZ3-CG 3.76Å; W80-F161 AromaticContact CZ3-CZ 3.99Å; W80-F161 HydrophobicContact CZ3-CZ 3.99Å; L95-F161 HydrophobicContact CB-CZ 4.36Å; L95-F161 HydrophobicContact CD2-CE2 4.41Å; L95-F161 HydrophobicContact CD2-CZ 3.82Å; L95-F161 HydrophobicContact CG-CE1 4.33Å; L95-F161 HydrophobicContact CG-CZ 4.08Å; L97-F161 HydrophobicContact CB-CB 4.49Å; L97-F161 HydrophobicContact CB-CD1 4.29Å; L97-F161 HydrophobicContact CD2-CB 4.08Å; T133-F161 WeakPolarHBondContact CA-O 3.46Å; I134-F161 HydrophobicContact CB-CB 4.43Å; I134-F161 PolarHBondContact N-O 2.88Å; I134-F161 PolarHBondContact O-N 3.32Å; L136-F161 HydrophobicContact CD1-CE2 3.93Å; L136-F161 HydrophobicContact CD2-CE2 4.45Å; L136-F161 HydrophobicContact CG-CD2 4.33Å; L136-F161 HydrophobicContact CG-CE2 4Å; F138-F161 HydrophobicContact CD1-CZ 4.39Å; F138-F161 HydrophobicContact CE1-CZ 4.23Å; C159-F161 HydrophobicContact CB-CE2 4.08Å; C159-F161 WeakPolarHBondContact O-CD2 3.33Å; F161-S165 WeakPolarHBondContact CA-O 3.28Å; F161-C166 WeakPolarHBondContact CD1-O 3.17Å; F161-H168 AromaticContact CD1-ND1 3.35Å; F161-H168 VanDerWaalsContact CD1-ND1 3.35Å; F161-H168 WeakPolarHBondContact CD1-ND1 2.8Å; F161-H168 HydrophobicContact CE1-CB 3.79Å; F161-H168 AromaticContact CE1-CG 3.87Å; F161-H168 AromaticContact CE1-ND1 3.23Å; F161-H168 WeakPolarHBondContact CE1-ND1 3.42Å; F161-H168 AromaticContact CG-ND1 3.9Å; F161-H168 HydrophobicContact CZ-CB 3.76Å; F161-H168 AromaticContact CZ-ND1 3.67Å
162	T	89.4	Confident	91.1	Very high	36 Å²	36	66.3 Å²	66.3	22%	0.221	35%	0.345	C	S	.	.			trans	-129.4	173.9	174.4	68.6	0	0	0	0	109.7	T133 T160 E164 S165 C166	T133-T162 HydrophobicContact CG2-CG2 3.96Å; T160-T162 HydrophobicContact CG2-CG2 4.07Å; T162-E164 PolarHBondContact O-N 2.84Å; T162-E164 PolarHBondContact OG1-N 2.9Å; T162-S165 PolarHBondContact N-O 3.44Å; T162-S165 CarbonylContact O-C 3.49Å; T162-S165 PolarHBondContact O-N 3.33Å; T162-S165 WeakPolarHBondContact OG1-CB 3.34Å; T162-S165 PolarHBondContact OG1-N 2.86Å; T162-C166 VanDerWaalsContact O-CA 3.27Å; T162-C166 WeakPolarHBondContact O-CA 3.48Å; T162-C166 WeakPolarHBondContact O-CB 3.1Å; T162-C166 PolarHBondContact O-N 3.42Å
163	Q	83.9	Confident	91.1	Very high	100 Å²	100	64 Å²	64	47%	0.467	34%	0.337	S	S	.	.	S	Bend	trans	-61.9	-34.4	174.6	-173.3	173.9	-5.7	0	0	112.8
164	E	84.3	Confident	91	Very high	190 Å²	190	60.7 Å²	60.7	89%	0.888	31%	0.314	S	S	*	.	S	Bend	trans	-81.4	-30.9	177.3	-62.5	175.6	176.8	0	0	112.1	T162	T162-E164 PolarHBondContact O-N 2.84Å; T162-E164 PolarHBondContact OG1-N 2.9Å
165	S	89.9	Confident	90.9	Very high	49 Å²	49	62.4 Å²	62.4	34%	0.343	33%	0.325	S	S	.	.			trans	-121.3	66.1	179.4	-162.6	0	0	0	0	110.2	F161 T162 R167 H168	F161-S165 WeakPolarHBondContact CA-O 3.28Å; T162-S165 PolarHBondContact N-O 3.44Å; T162-S165 CarbonylContact O-C 3.49Å; T162-S165 PolarHBondContact O-N 3.33Å; T162-S165 WeakPolarHBondContact OG1-CB 3.34Å; T162-S165 PolarHBondContact OG1-N 2.86Å; S165-R167 VanDerWaalsContact C-N 3.32Å; S165-H168 PolarHBondContact O-CE1 3.33Å; S165-H168 VanDerWaalsContact O-CE1 3.25Å; S165-H168 PolarHBondContact OG-CE1 3.15Å; S165-H168 PolarHBondContact OG-NE2 3.27Å
166	C	90.2	Very high	90.5	Very high	35 Å²	35	60.9 Å²	60.9	24%	0.236	31%	0.312	C	S	.	.			trans	-84.9	-7.8	-178.1	62.9	0	0	0	0	113.1	E96 L97 T99 F161 T162	E96-C166 WeakPolarHBondContact CA-O 3.22Å; L97-C166 HydrophobicContact CB-CB 4.27Å; L97-C166 PolarHBondContact N-O 2.86Å; T99-C166 HydrophobicContact CG2-CB 4.12Å; F161-C166 WeakPolarHBondContact CD1-O 3.17Å; T162-C166 VanDerWaalsContact O-CA 3.27Å; T162-C166 WeakPolarHBondContact O-CA 3.48Å; T162-C166 WeakPolarHBondContact O-CB 3.1Å; T162-C166 PolarHBondContact O-N 3.42Å
167	R	92.6	Very high	90.1	Very high	86 Å²	86	61 Å²	61	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.7	-172.3	176.2	175.5	-168.2	-157.3	-8.6	111.3	E85 Y94 E96 S165	E85-R167 IonicContact OE1-CZ 3.83Å; E85-R167 IonicContact OE1-NH1 2.68Å; E85-R167 IonicContact OE1-NH2 3.54Å; E85-R167 PolarHBondContact OE1-NH2 2.97Å; E85-R167 IonicContact OE2-CZ 2.66Å; E85-R167 IonicContact OE2-NH2 2.78Å; E85-R167 PolarHBondContact OE2-NH2 3.49Å; Y94-R167 HydrophobicContact CD1-CG 4.13Å; Y94-R167 HydrophobicContact CG-CG 4.47Å; Y94-R167 VanDerWaalsContact CZ-NH2 3.26Å; E96-R167 HydrophobicContact CG-CB 3.81Å; E96-R167 HydrophobicContact CG-CG 3.62Å; E96-R167 WeakPolarHBondContact OE1-CD 3.12Å; E96-R167 IonicContact OE1-CZ 3.03Å; E96-R167 IonicContact OE1-NE 2.65Å; E96-R167 PolarHBondContact OE1-NE 3.25Å; S165-R167 VanDerWaalsContact C-N 3.32Å
168	H	94.8	Very high	89.7	Confident	34 Å²	34	58.8 Å²	58.8	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.9	175.8	-69	91.3	0	0	0	111.3	Y94 L95 F138 C159 T160 F161 S165	Y94-H168 WeakPolarHBondContact CA-O 3.48Å; L95-H168 PolarHBondContact N-O 2.8Å; L95-H168 PolarHBondContact O-N 2.77Å; F138-H168 HydrophobicContact CE1-CB 4.05Å; F138-H168 HydrophobicContact CZ-CB 4.21Å; C159-H168 VanDerWaalsContact SG-CB 3.55Å; C159-H168 PolarHBondContact SG-CD2 2.94Å; T160-H168 PolarHBondContact O-CE1 3.15Å; F161-H168 AromaticContact CD1-ND1 3.35Å; F161-H168 VanDerWaalsContact CD1-ND1 3.35Å; F161-H168 WeakPolarHBondContact CD1-ND1 2.8Å; F161-H168 HydrophobicContact CE1-CB 3.79Å; F161-H168 AromaticContact CE1-CG 3.87Å; F161-H168 AromaticContact CE1-ND1 3.23Å; F161-H168 WeakPolarHBondContact CE1-ND1 3.42Å; F161-H168 AromaticContact CG-ND1 3.9Å; F161-H168 HydrophobicContact CZ-CB 3.76Å; F161-H168 AromaticContact CZ-ND1 3.67Å; S165-H168 PolarHBondContact O-CE1 3.33Å; S165-H168 VanDerWaalsContact O-CE1 3.25Å; S165-H168 PolarHBondContact OG-CE1 3.15Å; S165-H168 PolarHBondContact OG-NE2 3.27Å
169	G	93	Very high	89.3	Confident	12 Å²	12	55 Å²	55	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-161.3	-176.2	0	0	0	0	0	113.8	F93 K156	F93-G169 CarbonylContact O-C 3.42Å; F93-G169 WeakPolarHBondContact O-CA 3.47Å; K156-G169 PolarHBondContact NZ-O 2.86Å
170	R	92.1	Very high	88.8	Confident	119 Å²	119	58.1 Å²	58.1	45%	0.449	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120	174.5	-178.7	173.4	171.7	170.3	-0.2	108.8	G92 F93 F154 N172 A173	G92-R170 CarbonylContact C-O 3.49Å; G92-R170 WeakPolarHBondContact CA-O 3.47Å; F93-R170 PolarHBondContact N-O 2.88Å; F93-R170 PolarHBondContact O-N 2.98Å; F154-R170 HydrophobicContact CD1-CB 3.98Å; F154-R170 HydrophobicContact CD2-CB 4.24Å; F154-R170 HydrophobicContact CE1-CB 3.63Å; F154-R170 HydrophobicContact CE2-CB 3.91Å; F154-R170 HydrophobicContact CE2-CG 4.42Å; F154-R170 HydrophobicContact CG-CB 4.25Å; F154-R170 HydrophobicContact CZ-CB 3.59Å; R170-N172 PolarHBondContact NE-O 3.07Å; R170-N172 PolarHBondContact NH2-O 2.81Å; R170-A173 HydrophobicContact CB-CB 4.45Å; R170-A173 HydrophobicContact CG-CB 4.45Å
171	K	88.5	Confident	88.2	Confident	129 Å²	129	59.8 Å²	59.8	56%	0.561	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	-39.2	179.3	-172	177.6	177.5	179	0	112.8	G92 Y94	G92-K171 WeakPolarHBondContact CA-O 3.27Å; G92-K171 PolarHBondContact N-O 3.43Å; Y94-K171 VanDerWaalsContact OH-CA 3.22Å; Y94-K171 WeakPolarHBondContact OH-CA 3.45Å; Y94-K171 VanDerWaalsContact OH-CB 3.27Å; Y94-K171 WeakPolarHBondContact OH-CB 3.48Å; Y94-K171 WeakPolarHBondContact OH-CG 3.39Å
172	N	88.5	Confident	87.6	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	66.4	-178.3	-59.8	10.5	0	0	0	108.8	H90 R170	H90-N172 HydrophobicContact CB-CB 4.31Å; R170-N172 PolarHBondContact NE-O 3.07Å; R170-N172 PolarHBondContact NH2-O 2.81Å
173	A	87.8	Confident	87.3	Confident	20 Å²	20	69.8 Å²	69.8	17%	0.165	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-44.3	-176.1	0	0	0	0	0	111.5	L91 F93 R170	L91-A173 WeakPolarHBondContact O-CA 3.44Å; L91-A173 VanDerWaalsContact O-CB 3.28Å; L91-A173 WeakPolarHBondContact O-CB 3.26Å; L91-A173 PolarHBondContact O-N 3Å; F93-A173 HydrophobicContact CB-CB 4.43Å; F93-A173 HydrophobicContact CD1-CB 4.37Å; F93-A173 HydrophobicContact CD2-CB 3.54Å; F93-A173 HydrophobicContact CE2-CB 3.82Å; F93-A173 HydrophobicContact CG-CB 3.85Å; F93-A173 HydrophobicContact CZ-CB 4.39Å; R170-A173 HydrophobicContact CB-CB 4.45Å; R170-A173 HydrophobicContact CG-CB 4.45Å
174	I	88.5	Confident	87.3	Confident	7 Å²	7	65 Å²	65	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.6	174.7	-172.8	163.5	0	0	0	111.1	H90 L91 F93 I142 E152 T178 L179 F184	H90-I174 CarbonylContact C-O 3.59Å; H90-I174 WeakPolarHBondContact CA-O 3.48Å; L91-I174 HydrophobicContact CB-CG2 3.86Å; L91-I174 HydrophobicContact CD2-CG2 4.29Å; L91-I174 PolarHBondContact N-O 2.82Å; L91-I174 PolarHBondContact O-N 2.82Å; F93-I174 HydrophobicContact CZ-CG2 4.31Å; I142-I174 HydrophobicContact CD1-CB 3.84Å; I142-I174 HydrophobicContact CD1-CD1 3.65Å; I142-I174 HydrophobicContact CD1-CG1 4.35Å; I142-I174 HydrophobicContact CD1-CG2 3.58Å; E152-I174 HydrophobicContact CG-CD1 4.21Å; I174-T178 HydrophobicContact CD1-CG2 4.22Å; I174-T178 HydrophobicContact CG1-CG2 4.23Å; I174-L179 HydrophobicContact CD1-CB 4.43Å; I174-L179 HydrophobicContact CD1-CD1 3.89Å; I174-F184 HydrophobicContact CD1-CD2 4.12Å; I174-F184 HydrophobicContact CD1-CE2 4Å
175	D	89.6	Confident	87.2	Confident	65 Å²	65	58 Å²	58	35%	0.348	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.9	173.9	-54.8	-8.8	0	0	0	110.1	H90 S177 T178 L179	H90-D175 IonicContact CD2-OD1 3.86Å; H90-D175 PolarHBondContact CD2-OD1 2.94Å; H90-D175 IonicContact CG-OD1 3.81Å; H90-D175 IonicContact NE2-OD1 2.83Å; H90-D175 PolarHBondContact NE2-OD1 3.13Å; H90-D175 VanDerWaalsContact NE2-OD1 3.12Å; D175-S177 PolarHBondContact O-N 3.48Å; D175-T178 WeakPolarHBondContact O-CB 3.46Å; D175-T178 PolarHBondContact O-N 2.8Å; D175-L179 PolarHBondContact O-N 3.24Å
176	L	84.8	Confident	86.7	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-31.7	178.7	-66.4	174	0	0	0	112.2	R86 T89 L91 L179 S180	R86-L176 HydrophobicContact CG-CD1 4.12Å; T89-L176 PolarHBondContact O-N 3.14Å; L91-L176 HydrophobicContact CB-CD2 4.29Å; L176-L179 PolarHBondContact O-N 3.25Å; L176-S180 PolarHBondContact O-N 2.94Å; L176-S180 PolarHBondContact O-OG 3.41Å
177	S	85.6	Confident	86	Confident	75 Å²	75	60.7 Å²	60.7	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-38.3	173.4	56.2	0	0	0	0	112.4	D175 S180 S181	D175-S177 PolarHBondContact O-N 3.48Å; S177-S180 PolarHBondContact O-OG 2.8Å; S177-S180 VanDerWaalsContact O-OG 3.07Å; S177-S181 VanDerWaalsContact O-CB 3.28Å; S177-S181 WeakPolarHBondContact O-CB 3.4Å; S177-S181 PolarHBondContact O-N 2.98Å; S177-S181 PolarHBondContact O-OG 2.98Å
178	T	86.4	Confident	85	Confident	27 Å²	27	59.1 Å²	59.1	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-39.4	175.8	-67.7	0	0	0	0	110.7	I174 D175 S180 S181 K182 F184	I174-T178 HydrophobicContact CD1-CG2 4.22Å; I174-T178 HydrophobicContact CG1-CG2 4.23Å; D175-T178 WeakPolarHBondContact O-CB 3.46Å; D175-T178 PolarHBondContact O-N 2.8Å; T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 3.05Å; T178-S181 WeakPolarHBondContact CA-OG 3.24Å; T178-S181 PolarHBondContact O-N 3.35Å; T178-S181 PolarHBondContact O-OG 3.26Å; T178-K182 HydrophobicContact CG2-CD 3.58Å; T178-K182 HydrophobicContact CG2-CG 3.96Å; T178-K182 WeakPolarHBondContact O-CB 3.4Å; T178-K182 PolarHBondContact O-N 3.33Å; T178-F184 HydrophobicContact CG2-CE2 4.29Å
179	L	85.2	Confident	84.1	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-42.8	179.4	-165.5	73.2	0	0	0	112.2	L61 I142 I174 D175 L176 F184 L185	L61-L179 HydrophobicContact CD1-CD2 4.12Å; L61-L179 HydrophobicContact CD2-CD2 3.47Å; L61-L179 VanDerWaalsContact CD2-CD2 3.47Å; L61-L179 HydrophobicContact CG-CD2 4.34Å; I142-L179 HydrophobicContact CG2-CD1 4.43Å; I174-L179 HydrophobicContact CD1-CB 4.43Å; I174-L179 HydrophobicContact CD1-CD1 3.89Å; D175-L179 PolarHBondContact O-N 3.24Å; L176-L179 PolarHBondContact O-N 3.25Å; L179-F184 HydrophobicContact CD1-CB 3.58Å; L179-F184 HydrophobicContact CD1-CD2 4.3Å; L179-F184 HydrophobicContact CD1-CG 4.08Å; L179-F184 HydrophobicContact CG-CB 4.27Å; L179-F184 PolarHBondContact O-N 2.95Å; L179-L185 HydrophobicContact CD1-CD2 4.34Å; L179-L185 HydrophobicContact CD2-CD2 3.7Å; L179-L185 HydrophobicContact CD2-CG 4.43Å; L179-L185 HydrophobicContact CG-CD2 3.69Å; L179-L185 HydrophobicContact CG-CG 4.07Å
180	S	81.8	Confident	83.4	Confident	78 Å²	78	58.5 Å²	58.5	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-77.7	-42.6	178.1	59.7	0	0	0	0	113.1	L176 S177 T178	L176-S180 PolarHBondContact O-N 2.94Å; L176-S180 PolarHBondContact O-OG 3.41Å; S177-S180 PolarHBondContact O-OG 2.8Å; S177-S180 VanDerWaalsContact O-OG 3.07Å; T178-S180 VanDerWaalsContact C-N 3.33Å; T178-S180 PolarHBondContact O-N 3.05Å
181	S	81.3	Confident	83.1	Confident	84 Å²	84	52.8 Å²	52.8	59%	0.587	29%	0.286	S	S	*	.	H	α-helix	trans	-73.3	-37.9	-175.9	58	0	0	0	0	114	S177 T178 R183	S177-S181 VanDerWaalsContact O-CB 3.28Å; S177-S181 WeakPolarHBondContact O-CB 3.4Å; S177-S181 PolarHBondContact O-N 2.98Å; S177-S181 PolarHBondContact O-OG 2.98Å; T178-S181 WeakPolarHBondContact CA-OG 3.24Å; T178-S181 PolarHBondContact O-N 3.35Å; T178-S181 PolarHBondContact O-OG 3.26Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 2.76Å
182	K	81.3	Confident	83	Confident	93 Å²	93	47.2 Å²	47.2	40%	0.404	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	14.4	-175.7	-65.9	-167.4	-169.7	171.8	0	114.4	N144 E152 T178 F184	N144-K182 PolarHBondContact ND2-O 3.02Å; E152-K182 IonicContact OE1-NZ 2.74Å; E152-K182 PolarHBondContact OE1-NZ 3.4Å; T178-K182 HydrophobicContact CG2-CD 3.58Å; T178-K182 HydrophobicContact CG2-CG 3.96Å; T178-K182 WeakPolarHBondContact O-CB 3.4Å; T178-K182 PolarHBondContact O-N 3.33Å; K182-F184 HydrophobicContact CB-CD2 3.83Å; K182-F184 HydrophobicContact CB-CE2 3.47Å; K182-F184 VanDerWaalsContact CB-CE2 3.47Å; K182-F184 HydrophobicContact CB-CZ 4.36Å; K182-F184 HydrophobicContact CD-CE2 4.03Å; K182-F184 HydrophobicContact CG-CE2 4.33Å; K182-F184 PolarHBondContact O-N 3.03Å
183	R	82.5	Confident	83.1	Confident	152 Å²	152	43.7 Å²	43.7	57%	0.574	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	42.2	177.5	-58.2	-175.8	177.2	-177.5	3.2	114.9	R145 N146 S181	R145-R183 WeakPolarHBondContact CB-O 3.32Å; R145-R183 WeakPolarHBondContact CG-O 3.32Å; R145-R183 PolarHBondContact N-O 3.39Å; N146-R183 WeakPolarHBondContact ND2-CD 3.35Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 2.76Å
184	F	83.9	Confident	83.3	Confident	1 Å²	1	44 Å²	44	0%	0.004	24%	0.241	C	C	.	.			trans	-77.5	-27.8	166.3	-67.7	-76.9	0	0	0	112.2	I142 N144 Q150 E152 I174 T178 L179 K182	I142-F184 HydrophobicContact CB-CD1 4.32Å; I142-F184 HydrophobicContact CB-CE1 4.44Å; I142-F184 HydrophobicContact CG2-CB 4.37Å; I142-F184 HydrophobicContact CG2-CD1 3.62Å; I142-F184 HydrophobicContact CG2-CE1 4.22Å; I142-F184 HydrophobicContact CG2-CG 4.18Å; N144-F184 HydrophobicContact CB-CD1 4.21Å; N144-F184 HydrophobicContact CB-CE1 3.85Å; Q150-F184 WeakPolarHBondContact O-CE1 3.37Å; Q150-F184 VanDerWaalsContact O-CZ 3.26Å; Q150-F184 WeakPolarHBondContact O-CZ 3.33Å; E152-F184 HydrophobicContact CB-CZ 4.4Å; E152-F184 HydrophobicContact CG-CE1 4.29Å; E152-F184 HydrophobicContact CG-CE2 4.21Å; E152-F184 HydrophobicContact CG-CZ 3.58Å; I174-F184 HydrophobicContact CD1-CD2 4.12Å; I174-F184 HydrophobicContact CD1-CE2 4Å; T178-F184 HydrophobicContact CG2-CE2 4.29Å; L179-F184 HydrophobicContact CD1-CB 3.58Å; L179-F184 HydrophobicContact CD1-CD2 4.3Å; L179-F184 HydrophobicContact CD1-CG 4.08Å; L179-F184 HydrophobicContact CG-CB 4.27Å; L179-F184 PolarHBondContact O-N 2.95Å; K182-F184 HydrophobicContact CB-CD2 3.83Å; K182-F184 HydrophobicContact CB-CE2 3.47Å; K182-F184 VanDerWaalsContact CB-CE2 3.47Å; K182-F184 HydrophobicContact CB-CZ 4.36Å; K182-F184 HydrophobicContact CD-CE2 4.03Å; K182-F184 HydrophobicContact CG-CE2 4.33Å; K182-F184 PolarHBondContact O-N 3.03Å
185	L	83.6	Confident	83.7	Confident	41 Å²	41	43.7 Å²	43.7	22%	0.215	24%	0.239	C	C	.	.	S	Bend	trans	-83	135.9	-178	-56	-177.4	0	0	0	111.7	L61 R145 L179 K190 C191	L61-L185 HydrophobicContact CD1-CD2 3.58Å; R145-L185 WeakPolarHBondContact CD-O 3.31Å; R145-L185 PolarHBondContact NH1-O 2.95Å; L179-L185 HydrophobicContact CD1-CD2 4.34Å; L179-L185 HydrophobicContact CD2-CD2 3.7Å; L179-L185 HydrophobicContact CD2-CG 4.43Å; L179-L185 HydrophobicContact CG-CD2 3.69Å; L179-L185 HydrophobicContact CG-CG 4.07Å; L185-K190 WeakPolarHBondContact CA-O 3.43Å; L185-C191 HydrophobicContact CD2-CB 4Å
186	F	79.5	Confident	84	Confident	14 Å²	14	41.6 Å²	41.6	6%	0.061	23%	0.233	C	C	.	.			trans	-68.7	169.3	163.4	-72.4	-72.6	0	0	0	111.3	D188 G189 K190 I192 Q664 T665 I668	F186-D188 WeakPolarHBondContact CB-OD1 3.38Å; F186-D188 PolarHBondContact O-N 3.33Å; F186-G189 WeakPolarHBondContact O-CA 2.95Å; F186-G189 PolarHBondContact O-N 3.1Å; F186-K190 HydrophobicContact CB-CB 4.49Å; F186-K190 HydrophobicContact CD2-CB 4.02Å; F186-K190 WeakPolarHBondContact CD2-O 3.46Å; F186-K190 PolarHBondContact N-O 3.45Å; F186-I192 HydrophobicContact CE2-CD1 3.94Å; F186-I192 HydrophobicContact CE2-CG1 3.62Å; F186-I192 HydrophobicContact CZ-CD1 3.82Å; F186-I192 HydrophobicContact CZ-CG1 4.06Å; F186-Q664 HydrophobicContact CD1-CB 4.34Å; F186-Q664 HydrophobicContact CE1-CB 3.74Å; F186-Q664 HydrophobicContact CZ-CB 4.4Å; F186-T665 HydrophobicContact CE2-CG2 4.25Å; F186-T665 HydrophobicContact CZ-CG2 4.09Å; F186-I668 HydrophobicContact CE1-CD1 3.36Å; F186-I668 HydrophobicContact CZ-CD1 3.43Å; F186-I668 VanDerWaalsContact CZ-CD1 3.43Å
187	D	74.2	Confident	84.6	Confident	128 Å²	128	40.1 Å²	40.1	68%	0.684	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.9	-178.1	-51.4	-22.8	0	0	0	111.5	R145 G189	R145-D187 IonicContact CZ-OD1 2.87Å; R145-D187 IonicContact NH1-OD1 3.95Å; R145-D187 PolarHBondContact NH1-OD1 3.24Å; R145-D187 IonicContact NH2-OD1 2.89Å; R145-D187 PolarHBondContact NH2-OD1 2.8Å; R145-D187 IonicContact NH2-OD2 3.12Å; D187-G189 VanDerWaalsContact C-N 3.32Å
188	D	71.6	Confident	85.1	Confident	53 Å²	53	41 Å²	41	28%	0.283	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	5	171.1	66.8	-3.9	0	0	0	113.5	F186 K190	F186-D188 WeakPolarHBondContact CB-OD1 3.38Å; F186-D188 PolarHBondContact O-N 3.33Å; D188-K190 VanDerWaalsContact C-N 3.34Å; D188-K190 PolarHBondContact O-N 3.3Å; D188-K190 WeakPolarHBondContact OD1-CB 3.35Å; D188-K190 WeakPolarHBondContact OD1-CG 3.03Å; D188-K190 PolarHBondContact OD1-N 3.28Å; D188-K190 VanDerWaalsContact OD1-N 3.14Å; D188-K190 WeakPolarHBondContact OD2-CD 3.32Å; D188-K190 WeakPolarHBondContact OD2-CE 3.14Å; D188-K190 IonicContact OD2-NZ 3.05Å; D188-K190 PolarHBondContact OD2-NZ 3.15Å
189	G	75.9	Confident	85.5	Confident	20 Å²	20	43.4 Å²	43.4	21%	0.206	23%	0.229	C	C	.	.	S	Bend	trans	79.4	6	179.1	0	0	0	0	0	115.3	L61 F186 D187	L61-G189 WeakPolarHBondContact CD1-O 3.42Å; F186-G189 WeakPolarHBondContact O-CA 2.95Å; F186-G189 PolarHBondContact O-N 3.1Å; D187-G189 VanDerWaalsContact C-N 3.32Å
190	K	79.8	Confident	86	Confident	12 Å²	12	45 Å²	45	5%	0.052	24%	0.239	C	C	.	.			trans	-76.9	160.5	175.4	-62.7	177.4	-169.4	148.8	0	111.9	L55 L56 L185 F186 D188 D660	L55-K190 HydrophobicContact CD1-CB 4.13Å; L55-K190 HydrophobicContact CD1-CD 4.08Å; L55-K190 HydrophobicContact CD2-CD 3.88Å; L55-K190 HydrophobicContact CG-CD 4.05Å; L56-K190 WeakPolarHBondContact O-CA 3.12Å; L185-K190 WeakPolarHBondContact CA-O 3.43Å; F186-K190 HydrophobicContact CB-CB 4.49Å; F186-K190 HydrophobicContact CD2-CB 4.02Å; F186-K190 WeakPolarHBondContact CD2-O 3.46Å; F186-K190 PolarHBondContact N-O 3.45Å; D188-K190 VanDerWaalsContact C-N 3.34Å; D188-K190 PolarHBondContact O-N 3.3Å; D188-K190 WeakPolarHBondContact OD1-CB 3.35Å; D188-K190 WeakPolarHBondContact OD1-CG 3.03Å; D188-K190 PolarHBondContact OD1-N 3.28Å; D188-K190 VanDerWaalsContact OD1-N 3.14Å; D188-K190 WeakPolarHBondContact OD2-CD 3.32Å; D188-K190 WeakPolarHBondContact OD2-CE 3.14Å; D188-K190 IonicContact OD2-NZ 3.05Å; D188-K190 PolarHBondContact OD2-NZ 3.15Å; K190-D660 IonicContact NZ-OD2 2.87Å; K190-D660 PolarHBondContact NZ-OD2 2.86Å
191	C	84.1	Confident	86.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.6	166.2	70.6	0	0	0	0	112.6	L56 L185	L56-C191 PolarHBondContact N-O 2.83Å; L56-C191 PolarHBondContact O-N 3Å; L56-C191 VanDerWaalsContact O-N 3.13Å; L185-C191 HydrophobicContact CD2-CB 4Å
192	I	87.2	Confident	87.3	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.1	178.9	-52.7	180	0	0	0	109.3	T53 K143 F186 T665	T53-I192 HydrophobicContact CG2-CG2 3.44Å; T53-I192 VanDerWaalsContact CG2-CG2 3.44Å; K143-I192 HydrophobicContact CB-CB 4.17Å; K143-I192 HydrophobicContact CB-CG2 4.45Å; K143-I192 HydrophobicContact CG-CB 4.43Å; K143-I192 HydrophobicContact CG-CG2 4.16Å; K143-I192 PolarHBondContact N-O 2.85Å; F186-I192 HydrophobicContact CE2-CD1 3.94Å; F186-I192 HydrophobicContact CE2-CG1 3.62Å; F186-I192 HydrophobicContact CZ-CD1 3.82Å; F186-I192 HydrophobicContact CZ-CG1 4.06Å; I192-T665 HydrophobicContact CD1-CG2 3.82Å; I192-T665 HydrophobicContact CG1-CG2 4.24Å
193	I	90.7	Very high	87.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125	175.7	-56.8	175	0	0	0	108.4	T53 F54 L56 F84 F93 F140	T53-I193 CarbonylContact C-O 3.59Å; T53-I193 WeakPolarHBondContact CA-O 3.24Å; F54-I193 PolarHBondContact N-O 2.87Å; F54-I193 PolarHBondContact O-N 3.48Å; L56-I193 HydrophobicContact CB-CD1 4.13Å; L56-I193 HydrophobicContact CD2-CD1 3.94Å; F84-I193 HydrophobicContact CD1-CD1 4.09Å; F84-I193 HydrophobicContact CE1-CD1 3.53Å; F84-I193 HydrophobicContact CE1-CG2 4.19Å; F84-I193 HydrophobicContact CZ-CB 4.47Å; F84-I193 HydrophobicContact CZ-CD1 3.8Å; F84-I193 HydrophobicContact CZ-CG2 4.36Å; F93-I193 HydrophobicContact CE1-CD1 3.99Å; F93-I193 HydrophobicContact CZ-CD1 3.98Å; F140-I193 HydrophobicContact CD1-CG2 4.05Å
194	E	92.3	Very high	88.5	Confident	26 Å²	26	29.3 Å²	29.3	12%	0.121	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136	171.4	-69.5	-173.7	168.5	0	0	110.2	R39 I51 F52 T53 F140 T141 K143	R39-E194 IonicContact CZ-OE1 3.95Å; R39-E194 IonicContact NH2-OE1 3.7Å; R39-E194 PolarHBondContact NH2-OE1 3.45Å; I51-E194 HydrophobicContact CG2-CB 4.4Å; F52-E194 CarbonylContact O-C 3.55Å; F52-E194 WeakPolarHBondContact O-CA 3.46Å; T53-E194 HydrophobicContact CG2-CG 3.95Å; F140-E194 CarbonylContact C-O 3.54Å; F140-E194 VanDerWaalsContact CA-O 3.32Å; F140-E194 WeakPolarHBondContact CA-O 3.41Å; T141-E194 PolarHBondContact N-O 3.04Å; T141-E194 PolarHBondContact O-N 3.27Å; K143-E194 VanDerWaalsContact CE-OE1 3.27Å; K143-E194 WeakPolarHBondContact CE-OE1 3.41Å; K143-E194 WeakPolarHBondContact CE-OE2 3.29Å; K143-E194 IonicContact NZ-OE1 3.5Å; K143-E194 IonicContact NZ-OE2 3.34Å; K143-E194 PolarHBondContact NZ-OE2 3.09Å
195	L	96.1	Very high	88.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.8	169.4	171.8	62.6	0	0	0	108.2	I51 F52 F54 F73 V82 L95 F138 E139 F140 L197	I51-L195 CarbonylContact C-O 3.56Å; I51-L195 WeakPolarHBondContact CA-O 3.43Å; F52-L195 HydrophobicContact CB-CB 4.38Å; F52-L195 PolarHBondContact N-O 3.15Å; F52-L195 PolarHBondContact O-N 3.11Å; F54-L195 HydrophobicContact CE2-CB 4.07Å; F54-L195 HydrophobicContact CE2-CD2 4.36Å; F73-L195 HydrophobicContact CE2-CD2 4.31Å; F73-L195 HydrophobicContact CZ-CD2 3.71Å; V82-L195 HydrophobicContact CG2-CD2 3.66Å; L95-L195 HydrophobicContact CD1-CD2 3.99Å; F138-L195 HydrophobicContact CB-CD1 4.11Å; F138-L195 HydrophobicContact CD2-CD1 4.45Å; E139-L195 CarbonylContact O-C 3.6Å; E139-L195 VanDerWaalsContact O-CA 3.32Å; E139-L195 WeakPolarHBondContact O-CA 2.82Å; F140-L195 HydrophobicContact CD1-CB 4.26Å; F140-L195 HydrophobicContact CD1-CD1 4.08Å; F140-L195 HydrophobicContact CD2-CD1 4.25Å; F140-L195 HydrophobicContact CE1-CB 4.08Å; F140-L195 HydrophobicContact CE1-CD1 3.8Å; F140-L195 HydrophobicContact CE1-CD2 4.31Å; F140-L195 HydrophobicContact CE1-CG 4.28Å; F140-L195 HydrophobicContact CE2-CD1 3.99Å; F140-L195 HydrophobicContact CG-CD1 4.31Å; F140-L195 HydrophobicContact CZ-CD1 3.76Å; F140-L195 HydrophobicContact CZ-CD2 4.36Å; L195-L197 HydrophobicContact CD1-CD2 3.78Å; L195-L197 HydrophobicContact CD1-CG 4.44Å; L195-L197 HydrophobicContact CD2-CD1 4.4Å; L195-L197 HydrophobicContact CD2-CD2 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.26Å; L195-L197 HydrophobicContact CG-CD2 3.95Å; L195-L197 HydrophobicContact CG-CG 4.09Å
196	G	96	Very high	89.3	Confident	21 Å²	21	30.7 Å²	30.7	22%	0.216	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.5	167.3	0	0	0	0	0	110.3	Q50 F138 E139	Q50-G196 WeakPolarHBondContact O-CA 3.12Å; F138-G196 CarbonylContact C-O 3.57Å; F138-G196 VanDerWaalsContact CA-O 3.24Å; F138-G196 WeakPolarHBondContact CA-O 3.41Å; E139-G196 PolarHBondContact N-O 2.91Å; E139-G196 PolarHBondContact O-N 3.24Å
197	L	97.7	Very high	89.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.6	172.2	-59.2	-177.9	0	0	0	109.6	S49 Q50 F52 F73 Y75 L95 L136 D137 F138 L195	S49-L197 CarbonylContact C-O 3.58Å; S49-L197 VanDerWaalsContact CA-O 3.29Å; S49-L197 WeakPolarHBondContact CA-O 3.12Å; Q50-L197 PolarHBondContact N-O 2.78Å; Q50-L197 PolarHBondContact O-N 3.13Å; F52-L197 HydrophobicContact CD2-CD1 4.33Å; F52-L197 HydrophobicContact CD2-CG 4.48Å; F52-L197 HydrophobicContact CE2-CD1 3.88Å; F52-L197 HydrophobicContact CE2-CG 4.31Å; F73-L197 HydrophobicContact CE2-CD1 3.95Å; Y75-L197 HydrophobicContact CD1-CB 3.94Å; Y75-L197 HydrophobicContact CD1-CD1 3.55Å; Y75-L197 HydrophobicContact CD1-CG 4.35Å; Y75-L197 HydrophobicContact CD2-CB 4.11Å; Y75-L197 HydrophobicContact CD2-CD1 4.09Å; Y75-L197 HydrophobicContact CE1-CB 3.63Å; Y75-L197 HydrophobicContact CE1-CD1 4.13Å; Y75-L197 HydrophobicContact CE1-CG 4.47Å; Y75-L197 HydrophobicContact CE2-CB 3.82Å; Y75-L197 HydrophobicContact CG-CB 4.16Å; Y75-L197 HydrophobicContact CG-CD1 3.51Å; Y75-L197 HydrophobicContact CG-CG 4.48Å; Y75-L197 PolarHBondContact OH-O 3.45Å; L95-L197 HydrophobicContact CD2-CD2 3.69Å; L136-L197 HydrophobicContact CD1-CD2 4.08Å; D137-L197 WeakPolarHBondContact O-CA 3.08Å; F138-L197 HydrophobicContact CB-CD2 3.42Å; F138-L197 VanDerWaalsContact CB-CD2 3.42Å; L195-L197 HydrophobicContact CD1-CD2 3.78Å; L195-L197 HydrophobicContact CD1-CG 4.44Å; L195-L197 HydrophobicContact CD2-CD1 4.4Å; L195-L197 HydrophobicContact CD2-CD2 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.26Å; L195-L197 HydrophobicContact CG-CD2 3.95Å; L195-L197 HydrophobicContact CG-CG 4.09Å
198	R	96.4	Very high	90.4	Very high	95 Å²	95	27 Å²	27	36%	0.358	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166	-179.3	66.2	180	-168.2	-150.3	-3.5	112	A47 Y75 D137 S157	A47-R198 HydrophobicContact CB-CB 4.35Å; Y75-R198 VanDerWaalsContact OH-CA 3.29Å; Y75-R198 WeakPolarHBondContact OH-CA 3.4Å; Y75-R198 PolarHBondContact OH-N 3.32Å; D137-R198 HydrophobicContact CB-CG 3.56Å; D137-R198 PolarHBondContact N-O 3.29Å; D137-R198 PolarHBondContact O-N 2.77Å; D137-R198 IonicContact OD2-CZ 2.77Å; D137-R198 IonicContact OD2-NE 3.84Å; D137-R198 PolarHBondContact OD2-NE 2.84Å; D137-R198 IonicContact OD2-NH2 2.96Å; S157-R198 PolarHBondContact OG-NH2 3.34Å
199	N	94.3	Very high	91.1	Very high	77 Å²	77	26 Å²	26	41%	0.412	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51	54.3	175.7	-61.2	-41	0	0	0	113.9	A47 D137 H201	A47-N199 WeakPolarHBondContact CA-OD1 3.28Å; A47-N199 VanDerWaalsContact CB-OD1 3.28Å; A47-N199 WeakPolarHBondContact CB-OD1 3.44Å; A47-N199 PolarHBondContact O-N 3.43Å; D137-N199 PolarHBondContact OD2-ND2 3.42Å; N199-H201 PolarHBondContact O-N 2.8Å
200	P	95	Very high	91.5	Very high	36 Å²	36	30 Å²	30	23%	0.234	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.6	179	30.7	-29.3	0	0	0	110.4	N48 Y75 A76 T135	N48-P200 HydrophobicContact CB-CG 4.23Å; Y75-P200 HydrophobicContact CE1-CB 3.82Å; Y75-P200 HydrophobicContact CE1-CG 4.2Å; Y75-P200 VanDerWaalsContact OH-CD 3.3Å; Y75-P200 WeakPolarHBondContact OH-CD 3.48Å; A76-P200 HydrophobicContact CB-CB 3.47Å; A76-P200 VanDerWaalsContact CB-CB 3.47Å; A76-P200 HydrophobicContact CB-CG 4.16Å; T135-P200 CarbonylContact O-C 3.46Å; T135-P200 WeakPolarHBondContact O-CA 3.45Å
201	H	95.2	Very high	91.6	Very high	55 Å²	55	32.3 Å²	32.3	26%	0.255	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.5	174.7	173.6	-93.3	0	0	0	109.8	I134 T135 N199 C203 E416	I134-H201 CarbonylContact C-O 3.56Å; I134-H201 WeakPolarHBondContact CA-O 3.26Å; T135-H201 PolarHBondContact N-O 3.01Å; T135-H201 PolarHBondContact O-N 2.81Å; T135-H201 WeakPolarHBondContact OG1-CB 3.42Å; T135-H201 PolarHBondContact OG1-ND1 2.85Å; T135-H201 PolarHBondContact OG1-O 3.31Å; N199-H201 PolarHBondContact O-N 2.8Å; H201-C203 PolarHBondContact CE1-SG 2.8Å; H201-E416 IonicContact CD2-OE1 3.01Å; H201-E416 PolarHBondContact CD2-OE1 2.88Å; H201-E416 IonicContact CE1-OE1 3.62Å; H201-E416 IonicContact NE2-OE1 4Å; H201-E416 PolarHBondContact NE2-OE1 2.87Å
202	V	95.6	Very high	91.2	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.1	-171.9	-178.4	0	0	0	0	109	I134 I204 Y258 M417	I134-V202 HydrophobicContact CG1-CG1 4.25Å; I134-V202 HydrophobicContact CG1-CG2 4.19Å; I134-V202 HydrophobicContact CG2-CG2 4.15Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; V202-Y258 HydrophobicContact CG1-CD2 4.44Å; V202-Y258 HydrophobicContact CG1-CE2 4.05Å; V202-M417 HydrophobicContact CB-CB 4.14Å; V202-M417 HydrophobicContact CG1-CB 4.38Å; V202-M417 HydrophobicContact CG1-CG 4.27Å; V202-M417 PolarHBondContact O-N 2.87Å
203	C	95.1	Very high	90.3	Very high	17 Å²	17	39.4 Å²	39.4	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.1	173.1	-76.9	0	0	0	0	110.6	T133 H201 T414 L415	T133-C203 PolarHBondContact N-O 2.77Å; T133-C203 PolarHBondContact O-N 2.77Å; T133-C203 WeakPolarHBondContact OG1-CB 3.4Å; T133-C203 PolarHBondContact OG1-O 3.35Å; H201-C203 PolarHBondContact CE1-SG 2.8Å; C203-T414 HydrophobicContact CB-CG2 4.44Å; C203-L415 CarbonylContact C-O 3.56Å; C203-L415 WeakPolarHBondContact CA-O 3.38Å
204	I	93.8	Very high	89	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.2	179	-51	176.1	0	0	0	106.8	K132 V202 L206 F256 Y258 L415 M417	K132-I204 HydrophobicContact CG-CG1 4.34Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; I204-L206 HydrophobicContact CG2-CD2 3.6Å; I204-L206 HydrophobicContact CG2-CG 4.02Å; I204-F256 HydrophobicContact CD1-CD2 3.83Å; I204-F256 HydrophobicContact CD1-CE2 3.73Å; I204-F256 HydrophobicContact CG2-CD2 4.24Å; I204-Y258 HydrophobicContact CD1-CD2 4.06Å; I204-Y258 HydrophobicContact CD1-CG 4.47Å; I204-L415 HydrophobicContact CB-CB 4.48Å; I204-L415 PolarHBondContact N-O 3.31Å; I204-L415 PolarHBondContact O-N 3.06Å; I204-M417 HydrophobicContact CD1-CG 3.99Å; I204-M417 HydrophobicContact CD1-SD 4.41Å; I204-M417 HydrophobicContact CG1-CG 4.4Å
205	K	91.9	Very high	87.6	Confident	68 Å²	68	42.7 Å²	42.7	30%	0.296	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.7	170.5	-59.7	-153.7	-153.7	161.5	0	109.4	Q130 W131 I413 T414	Q130-K205 VanDerWaalsContact CA-O 3.3Å; Q130-K205 WeakPolarHBondContact CA-O 3.48Å; W131-K205 HydrophobicContact CD2-CB 4.39Å; W131-K205 HydrophobicContact CG-CB 4.33Å; W131-K205 HydrophobicContact CZ2-CB 4.29Å; W131-K205 HydrophobicContact CZ2-CD 3.65Å; W131-K205 HydrophobicContact CZ2-CG 4.44Å; W131-K205 PolarHBondContact N-O 3.03Å; W131-K205 VanDerWaalsContact NE1-CB 3.26Å; W131-K205 VanDerWaalsContact NE1-CE 3.29Å; W131-K205 PolarHBondContact O-N 2.78Å; K205-I413 CarbonylContact C-O 3.5Å; K205-I413 WeakPolarHBondContact CA-O 3.49Å; K205-T414 WeakPolarHBondContact CD-OG1 3.45Å; K205-T414 HydrophobicContact CG-CG2 4.07Å
206	L	92	Very high	85.8	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.7	-173.6	-59.1	174.3	0	0	0	109.1	Q130 I204 T253 F256 C412 I413	Q130-L206 HydrophobicContact CB-CD2 4.46Å; I204-L206 HydrophobicContact CG2-CD2 3.6Å; I204-L206 HydrophobicContact CG2-CG 4.02Å; L206-T253 HydrophobicContact CB-CG2 3.95Å; L206-T253 HydrophobicContact CD1-CG2 4.14Å; L206-F256 HydrophobicContact CD1-CD1 3.73Å; L206-F256 HydrophobicContact CD1-CE1 3.6Å; L206-F256 HydrophobicContact CD1-CG 4.43Å; L206-F256 HydrophobicContact CD1-CZ 4.21Å; L206-F256 HydrophobicContact CD2-CB 3.7Å; L206-F256 HydrophobicContact CD2-CD1 3.62Å; L206-F256 HydrophobicContact CD2-CE1 4.34Å; L206-F256 HydrophobicContact CD2-CG 3.71Å; L206-F256 HydrophobicContact CG-CD1 4.34Å; L206-C412 CarbonylContact O-C 3.58Å; L206-C412 WeakPolarHBondContact O-CA 3.45Å; L206-I413 PolarHBondContact N-O 3.17Å; L206-I413 PolarHBondContact O-N 2.92Å
207	Q	89	Confident	83.6	Confident	65 Å²	65	53.3 Å²	53.3	30%	0.304	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125	167.4	-170.9	165.5	31.3	0	0	109.2	T129 T253 D254	T129-Q207 PolarHBondContact O-N 3.33Å; Q207-T253 WeakPolarHBondContact O-CA 3.49Å; Q207-D254 PolarHBondContact O-N 3.2Å
208	A	89	Confident	81.3	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.1	171.7	0	0	0	0	0	110.4	F251 T253 K410 F411 I413	A208-F251 HydrophobicContact CB-CB 4.22Å; A208-T253 HydrophobicContact CB-CG2 4.2Å; A208-K410 WeakPolarHBondContact O-CA 3.24Å; A208-F411 HydrophobicContact CB-CD1 4.19Å; A208-F411 HydrophobicContact CB-CE1 3.81Å; A208-F411 HydrophobicContact CB-CE2 4.26Å; A208-F411 HydrophobicContact CB-CZ 3.84Å; A208-F411 PolarHBondContact N-O 3.15Å; A208-F411 PolarHBondContact O-N 3.36Å; A208-I413 HydrophobicContact CB-CD1 3.41Å; A208-I413 VanDerWaalsContact CB-CD1 3.41Å; A208-I413 HydrophobicContact CB-CG1 4.47Å
209	N	86.8	Confident	78.8	Confident	31 Å²	31	59.2 Å²	59.2	17%	0.166	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.5	175.8	-59.9	-62.8	0	0	0	108.8	V211 F251 E252 K410	N209-V211 PolarHBondContact O-N 2.88Å; N209-F251 VanDerWaalsContact O-CA 3.3Å; N209-F251 WeakPolarHBondContact O-CA 3.44Å; N209-E252 PolarHBondContact N-O 2.83Å; N209-E252 PolarHBondContact O-N 2.83Å; N209-K410 WeakPolarHBondContact OD1-CD 3.28Å; N209-K410 WeakPolarHBondContact OD1-CE 3.48Å; N209-K410 WeakPolarHBondContact OD1-CG 3.37Å; N209-K410 PolarHBondContact OD1-NZ 2.87Å
210	Q	84	Confident	76.2	Confident	104 Å²	104	62.8 Å²	62.8	49%	0.486	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.4	171.8	-170.9	178.8	-1.4	0	0	108.9	I249 H250 F251	Q210-I249 HydrophobicContact CG-CG2 3.78Å; Q210-H250 WeakPolarHBondContact CA-O 3.33Å; Q210-F251 HydrophobicContact CB-CD1 3.93Å; Q210-F251 HydrophobicContact CB-CE1 3.66Å; Q210-F251 HydrophobicContact CB-CZ 4.49Å; Q210-F251 HydrophobicContact CG-CE1 4.12Å
211	V	81.5	Confident	73.3	Confident	61 Å²	61	70.1 Å²	70.1	37%	0.37	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.3	178.8	-173.6	0	0	0	0	108.2	N209 D213 H250 E252	N209-V211 PolarHBondContact O-N 2.88Å; V211-D213 PolarHBondContact O-N 2.75Å; V211-H250 PolarHBondContact N-O 3.42Å; V211-E252 HydrophobicContact CG2-CB 4.04Å
212	E	75.6	Confident	70.5	Confident	149 Å²	149	76.3 Å²	76.3	70%	0.696	38%	0.376	S	S	*	.			trans	-61.8	132.1	170.4	-65.2	-174.3	-179.7	0	0	109.7	P214 H217	E212-P214 VanDerWaalsContact O-CD 3.29Å; E212-P214 WeakPolarHBondContact O-CD 3.41Å; E212-P214 VanDerWaalsContact O-N 3.09Å; E212-H217 IonicContact OE2-NE2 3.44Å
213	D	68.6	Low	67.6	Low	12 Å²	12	80 Å²	80	6%	0.064	42%	0.416	C	S	.	.			trans	-58.9	118.3	177.9	177.4	-6.5	0	0	0	109.1	V211 T215 N216 H250	V211-D213 PolarHBondContact O-N 2.75Å; D213-T215 PolarHBondContact O-N 2.97Å; D213-T215 WeakPolarHBondContact OD1-CA 3.31Å; D213-T215 WeakPolarHBondContact OD1-CB 3.37Å; D213-T215 WeakPolarHBondContact OD1-CG2 3.49Å; D213-T215 PolarHBondContact OD1-N 3.27Å; D213-T215 PolarHBondContact OD1-OG1 2.81Å; D213-T215 PolarHBondContact OD2-OG1 3.49Å; D213-N216 VanDerWaalsContact O-CB 3.32Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 2.9Å; D213-H250 HydrophobicContact CB-CB 4.09Å
214	P	63.8	Low	64.7	Low	71 Å²	71	88.3 Å²	88.3	46%	0.461	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	-178.9	24.1	-33.5	0	0	0	112.6	E212	E212-P214 VanDerWaalsContact O-CD 3.29Å; E212-P214 WeakPolarHBondContact O-CD 3.41Å; E212-P214 VanDerWaalsContact O-N 3.09Å
215	T	61.9	Low	62	Low	24 Å²	24	98 Å²	98	15%	0.147	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.7	175.5	77	0	0	0	0	113.8	D213 H217 M218 L219	D213-T215 PolarHBondContact O-N 2.97Å; D213-T215 WeakPolarHBondContact OD1-CA 3.31Å; D213-T215 WeakPolarHBondContact OD1-CB 3.37Å; D213-T215 WeakPolarHBondContact OD1-CG2 3.49Å; D213-T215 PolarHBondContact OD1-N 3.27Å; D213-T215 PolarHBondContact OD1-OG1 2.81Å; D213-T215 PolarHBondContact OD2-OG1 3.49Å; T215-H217 VanDerWaalsContact C-N 3.31Å; T215-H217 PolarHBondContact O-N 2.95Å; T215-M218 WeakPolarHBondContact O-CA 3.27Å; T215-M218 WeakPolarHBondContact O-CB 3.38Å; T215-M218 PolarHBondContact O-N 2.99Å; T215-L219 PolarHBondContact O-N 3.44Å
216	N	57.8	Low	59.6	Low	92 Å²	92	98.9 Å²	98.9	49%	0.492	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-61.1	-39.4	176.4	-80.4	-21.8	0	0	0	111.7	D213 M218 L219	D213-N216 VanDerWaalsContact O-CB 3.32Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 2.9Å; N216-M218 PolarHBondContact O-N 2.89Å; N216-L219 PolarHBondContact O-N 2.81Å
217	H	51	Low	57.3	Low	152 Å²	152	105.1 Å²	105.1	70%	0.704	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-66.6	-20.3	174.3	-61	-57.6	0	0	0	113.3	E212 T215	E212-H217 IonicContact OE2-NE2 3.44Å; T215-H217 VanDerWaalsContact C-N 3.31Å; T215-H217 PolarHBondContact O-N 2.95Å
218	M	50.1	Low	55.3	Low	119 Å²	119	106.2 Å²	106.2	59%	0.586	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-88.1	-11.7	177.8	-67.7	-127	83.7	0	0	113.7	T215 N216 L220	T215-M218 WeakPolarHBondContact O-CA 3.27Å; T215-M218 WeakPolarHBondContact O-CB 3.38Å; T215-M218 PolarHBondContact O-N 2.99Å; N216-M218 PolarHBondContact O-N 2.89Å; M218-L220 PolarHBondContact O-N 2.84Å
219	L	43.5	Very low	53.2	Low	100 Å²	100	113 Å²	113	52%	0.524	57%	0.567	S	S	.	*			trans	-82.8	67.4	179.6	-72.6	174.5	0	0	0	111.9	T215 N216 K221	T215-L219 PolarHBondContact O-N 3.44Å; N216-L219 PolarHBondContact O-N 2.81Å; L219-K221 PolarHBondContact O-N 3.42Å; L219-K221 VanDerWaalsContact O-N 3.09Å
220	L	39.5	Very low	51.3	Low	153 Å²	153	119.4 Å²	119.4	80%	0.801	60%	0.602	S	S	*	*	S	Bend	trans	-64.8	100.8	145.9	-84.7	157	0	0	0	108.2	M218	M218-L220 PolarHBondContact O-N 2.84Å
221	K	34.1	Very low	49.7	Very low	189 Å²	189	116.5 Å²	116.5	82%	0.822	60%	0.6	S	S	*	*	S	Bend	trans	47.9	75.5	153.6	-61.1	-178.1	178	179.9	0	116.8	L219	L219-K221 PolarHBondContact O-N 3.42Å; L219-K221 VanDerWaalsContact O-N 3.09Å
222	K	35.3	Very low	48.7	Very low	185 Å²	185	116.6 Å²	116.6	80%	0.804	60%	0.603	S	S	*	*			trans	-140.5	94.1	145.9	-80.5	-166.4	177.4	174.5	0	110	R224	K222-R224 VanDerWaalsContact C-N 3.33Å; K222-R224 PolarHBondContact O-N 3.23Å
223	G	34.6	Very low	47.9	Very low	84 Å²	84	109.6 Å²	109.6	87%	0.866	57%	0.571	S	S	*	*			trans	-61.2	92.6	169.3	0	0	0	0	0	110.5	K225	G223-K225 PolarHBondContact O-N 2.78Å
224	R	36	Very low	47.5	Very low	191 Å²	191	111.6 Å²	111.6	72%	0.721	58%	0.583	S	S	*	*			trans	-89.5	89	155.9	-83.2	-175.1	172.5	171.3	-1.6	106.2	K222 R226	K222-R224 VanDerWaalsContact C-N 3.33Å; K222-R224 PolarHBondContact O-N 3.23Å; R224-R226 VanDerWaalsContact C-N 3.34Å; R224-R226 PolarHBondContact O-N 2.94Å
225	K	37	Very low	47.3	Very low	205 Å²	205	109.5 Å²	109.5	89%	0.891	57%	0.568	S	S	*	*			trans	-57.6	101.4	161.8	-72.7	-177.2	175.2	-176.1	0	106.8	G223	G223-K225 PolarHBondContact O-N 2.78Å
226	R	41.5	Very low	47.1	Very low	86 Å²	86	116.5 Å²	116.5	33%	0.325	59%	0.592	S	S	.	*			trans	-72.3	143.9	167.5	-73.1	174.6	162.8	-131.8	-19	107.7	R224 H228 E270 K840 C841 G842	R224-R226 VanDerWaalsContact C-N 3.34Å; R224-R226 PolarHBondContact O-N 2.94Å; R226-H228 PolarHBondContact O-N 3.36Å; R226-H228 VanDerWaalsContact O-N 3.15Å; R226-E270 IonicContact NH1-OE1 3.91Å; R226-E270 IonicContact NH1-OE2 3.63Å; R226-E270 PolarHBondContact NH1-OE2 2.76Å; R226-K840 PolarHBondContact NH2-O 3.06Å; R226-C841 PolarHBondContact NH2-O 2.83Å; R226-G842 VanDerWaalsContact CZ-O 3.25Å; R226-G842 VanDerWaalsContact NH2-N 3.13Å; R226-G842 PolarHBondContact NH2-O 3.39Å
227	T	43.3	Very low	46.9	Very low	135 Å²	135	116.8 Å²	116.8	83%	0.828	59%	0.586	S	S	*	*	S	Bend	trans	-82.4	20.8	-168.2	50.3	0	0	0	0	113.8	N229	T227-N229 PolarHBondContact O-N 2.79Å
228	H	47.2	Very low	47	Very low	88 Å²	88	118 Å²	118	41%	0.407	59%	0.594	S	S	.	*	S	Bend	trans	-77.3	120.3	168.7	-62.2	-73.6	0	0	0	106.3	R226 N230	R226-H228 PolarHBondContact O-N 3.36Å; R226-H228 VanDerWaalsContact O-N 3.15Å; H228-N230 PolarHBondContact O-N 3.15Å
229	N	45.2	Very low	47.5	Very low	141 Å²	141	116.3 Å²	116.3	75%	0.754	59%	0.587	S	S	*	*			trans	-52.3	125.8	175.8	-81.2	-23.2	0	0	0	108	T227 G231	T227-N229 PolarHBondContact O-N 2.79Å; N229-G231 PolarHBondContact O-N 3.17Å
230	N	45.3	Very low	48.1	Very low	166 Å²	166	116.3 Å²	116.3	89%	0.888	59%	0.588	S	S	*	*			trans	-60.1	42.1	-175.6	-66.5	-5.2	0	0	0	115	H228 S232	H228-N230 PolarHBondContact O-N 3.15Å; N230-S232 VanDerWaalsContact C-N 3.34Å; N230-S232 PolarHBondContact O-N 3.12Å; N230-S232 VanDerWaalsContact O-N 3.08Å
231	G	51.8	Low	49.1	Very low	43 Å²	43	114.5 Å²	114.5	44%	0.443	58%	0.575	S	S	.	*			trans	-73.9	94.2	163.9	0	0	0	0	0	107.3	N229 V233	N229-G231 PolarHBondContact O-N 3.17Å; G231-V233 PolarHBondContact O-N 2.97Å
232	S	58.9	Low	50.3	Low	63 Å²	63	110.2 Å²	110.2	44%	0.441	57%	0.565	S	S	.	*			trans	-50.6	128.1	167.2	53.4	0	0	0	0	108.2	N230 V234	N230-S232 VanDerWaalsContact C-N 3.34Å; N230-S232 PolarHBondContact O-N 3.12Å; N230-S232 VanDerWaalsContact O-N 3.08Å; S232-V234 PolarHBondContact O-N 3.08Å
233	V	59.8	Low	51.5	Low	3 Å²	3	103.3 Å²	103.3	2%	0.018	54%	0.537	C	S	.	.			trans	-71.6	109.6	176.6	178.8	0	0	0	0	106.3	G231 L235 F245 P271 R273 V289	G231-V233 PolarHBondContact O-N 2.97Å; V233-L235 HydrophobicContact CG1-CD2 4.08Å; V233-L235 HydrophobicContact CG1-CG 4.06Å; V233-F245 HydrophobicContact CB-CB 4.4Å; V233-F245 WeakPolarHBondContact O-CD2 3.47Å; V233-F245 PolarHBondContact O-N 3.26Å; V233-P271 HydrophobicContact CB-CB 4.37Å; V233-P271 HydrophobicContact CG2-CB 4.11Å; V233-R273 HydrophobicContact CG2-CG 4.31Å; V233-V289 HydrophobicContact CG1-CG1 4.01Å
234	V	60.2	Low	52.8	Low	54 Å²	54	103.5 Å²	103.5	33%	0.327	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.1	172.1	-176.7	0	0	0	0	107.6	S232 T242 I243 T244	S232-V234 PolarHBondContact O-N 3.08Å; V234-T242 HydrophobicContact CG1-CG2 4.11Å; V234-I243 VanDerWaalsContact CA-O 3.31Å; V234-I243 WeakPolarHBondContact CA-O 3.48Å; V234-T244 HydrophobicContact CG2-CG2 4.29Å
235	L	60.1	Low	54.3	Low	26 Å²	26	94.9 Å²	94.9	14%	0.136	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.1	172	-59.6	177.8	0	0	0	110	V233 T242 I243 F245 V289 L404	V233-L235 HydrophobicContact CG1-CD2 4.08Å; V233-L235 HydrophobicContact CG1-CG 4.06Å; L235-T242 CarbonylContact O-C 3.56Å; L235-T242 WeakPolarHBondContact O-CA 3.33Å; L235-I243 PolarHBondContact N-O 3.12Å; L235-I243 PolarHBondContact O-N 3.15Å; L235-F245 HydrophobicContact CB-CE2 3.82Å; L235-F245 HydrophobicContact CD1-CD2 4.23Å; L235-F245 HydrophobicContact CD1-CE2 3.48Å; L235-F245 VanDerWaalsContact CD1-CE2 3.48Å; L235-F245 HydrophobicContact CD1-CZ 3.76Å; L235-F245 HydrophobicContact CG-CD2 4.18Å; L235-F245 HydrophobicContact CG-CE2 3.68Å; L235-F245 HydrophobicContact CG-CZ 4.44Å; L235-V289 HydrophobicContact CD2-CG2 4.42Å; L235-L404 HydrophobicContact CD1-CB 3.26Å; L235-L404 HydrophobicContact CD1-CD1 4.04Å; L235-L404 HydrophobicContact CD1-CG 4.31Å
236	R	56.7	Low	55.6	Low	172 Å²	172	88.4 Å²	88.4	65%	0.649	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.9	173.7	-173	170.1	155.9	170	-6	108.7	N240 E241	R236-N240 VanDerWaalsContact CZ-OD1 3.31Å; R236-N240 PolarHBondContact NE-OD1 3.5Å; R236-N240 PolarHBondContact NH2-ND2 3.31Å; R236-N240 PolarHBondContact NH2-OD1 3.46Å; R236-E241 CarbonylContact C-O 3.55Å; R236-E241 WeakPolarHBondContact CA-O 3.11Å
237	R	54.3	Low	57	Low	98 Å²	98	90.8 Å²	90.8	37%	0.37	49%	0.487	S	S	.	.			trans	-69.4	168.2	175.5	-68.4	-177.4	97.9	-175.1	-3.5	111.4	D239 N240 E241 I243	R237-D239 WeakPolarHBondContact CB-OD1 3.49Å; R237-D239 IonicContact CZ-OD2 3.15Å; R237-D239 IonicContact NE-OD2 3.71Å; R237-D239 IonicContact NH1-OD2 2.71Å; R237-D239 PolarHBondContact NH1-OD2 3.08Å; R237-D239 PolarHBondContact O-N 3.27Å; R237-N240 WeakPolarHBondContact O-CA 3.17Å; R237-N240 PolarHBondContact O-N 3.22Å; R237-E241 PolarHBondContact N-O 3.07Å; R237-E241 IonicContact NH1-OE2 3.79Å; R237-I243 HydrophobicContact CG-CD1 3.42Å; R237-I243 VanDerWaalsContact CG-CD1 3.42Å; R237-I243 HydrophobicContact CG-CG1 3.83Å
238	M	53.3	Low	58.4	Low	177 Å²	177	87.1 Å²	87.1	87%	0.872	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27	174.9	-68.9	-79.1	-95.3	0	0	113.2	N240	M238-N240 PolarHBondContact O-N 3.35Å
239	D	60	Low	60	Low	83 Å²	83	83.2 Å²	83.2	44%	0.444	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	6	173.9	57.4	17.6	0	0	0	113.4	R237 E241	R237-D239 WeakPolarHBondContact CB-OD1 3.49Å; R237-D239 IonicContact CZ-OD2 3.15Å; R237-D239 IonicContact NE-OD2 3.71Å; R237-D239 IonicContact NH1-OD2 2.71Å; R237-D239 PolarHBondContact NH1-OD2 3.08Å; R237-D239 PolarHBondContact O-N 3.27Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 2.78Å; D239-E241 WeakPolarHBondContact OD1-CB 3.35Å; D239-E241 PolarHBondContact OD1-N 3.3Å
240	N	56.7	Low	61.9	Low	101 Å²	101	77 Å²	77	54%	0.54	41%	0.413	S	S	.	.	S	Bend	trans	67.8	8.2	-173.7	-67.1	-33.3	0	0	0	116.3	R236 R237 M238	R236-N240 VanDerWaalsContact CZ-OD1 3.31Å; R236-N240 PolarHBondContact NE-OD1 3.5Å; R236-N240 PolarHBondContact NH2-ND2 3.31Å; R236-N240 PolarHBondContact NH2-OD1 3.46Å; R237-N240 WeakPolarHBondContact O-CA 3.17Å; R237-N240 PolarHBondContact O-N 3.22Å; M238-N240 PolarHBondContact O-N 3.35Å
241	E	60.1	Low	64	Low	115 Å²	115	69 Å²	69	54%	0.537	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-75	139.9	172.3	-64	-174.3	159.9	0	0	111.3	R236 R237 D239	R236-E241 CarbonylContact C-O 3.55Å; R236-E241 WeakPolarHBondContact CA-O 3.11Å; R237-E241 PolarHBondContact N-O 3.07Å; R237-E241 IonicContact NH1-OE2 3.79Å; D239-E241 VanDerWaalsContact C-N 3.26Å; D239-E241 PolarHBondContact O-N 2.78Å; D239-E241 WeakPolarHBondContact OD1-CB 3.35Å; D239-E241 PolarHBondContact OD1-N 3.3Å
242	T	58.8	Low	65.8	Low	99 Å²	99	70.2 Å²	70.2	61%	0.607	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.4	173.7	51.2	0	0	0	0	110.3	V234 L235	V234-T242 HydrophobicContact CG1-CG2 4.11Å; L235-T242 CarbonylContact O-C 3.56Å; L235-T242 WeakPolarHBondContact O-CA 3.33Å
243	I	61.1	Low	67.3	Low	40 Å²	40	67.4 Å²	67.4	21%	0.205	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124	171.4	-62.7	174.2	0	0	0	108.4	V234 L235 R237 F245 S408	V234-I243 VanDerWaalsContact CA-O 3.31Å; V234-I243 WeakPolarHBondContact CA-O 3.48Å; L235-I243 PolarHBondContact N-O 3.12Å; L235-I243 PolarHBondContact O-N 3.15Å; R237-I243 HydrophobicContact CG-CD1 3.42Å; R237-I243 VanDerWaalsContact CG-CD1 3.42Å; R237-I243 HydrophobicContact CG-CG1 3.83Å; I243-F245 HydrophobicContact CB-CE2 4.01Å; I243-F245 HydrophobicContact CG2-CD2 4Å; I243-F245 HydrophobicContact CG2-CE2 3.69Å; I243-F245 HydrophobicContact CG2-CZ 4.14Å; I243-S408 VanDerWaalsContact CD1-OG 3.31Å; I243-S408 WeakPolarHBondContact CD1-OG 3.08Å
244	T	62.4	Low	68.6	Low	88 Å²	88	70 Å²	70	54%	0.54	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.3	165.5	-46.3	0	0	0	0	108.4	V234	V234-T244 HydrophobicContact CG2-CG2 4.29Å
245	F	66.8	Low	69.9	Low	9 Å²	9	72 Å²	72	4%	0.039	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-75.8	135.1	178.7	-77.2	-103.6	0	0	0	110.2	V233 L235 I243 I249 P271 L404 V407	V233-F245 HydrophobicContact CB-CB 4.4Å; V233-F245 WeakPolarHBondContact O-CD2 3.47Å; V233-F245 PolarHBondContact O-N 3.26Å; L235-F245 HydrophobicContact CB-CE2 3.82Å; L235-F245 HydrophobicContact CD1-CD2 4.23Å; L235-F245 HydrophobicContact CD1-CE2 3.48Å; L235-F245 VanDerWaalsContact CD1-CE2 3.48Å; L235-F245 HydrophobicContact CD1-CZ 3.76Å; L235-F245 HydrophobicContact CG-CD2 4.18Å; L235-F245 HydrophobicContact CG-CE2 3.68Å; L235-F245 HydrophobicContact CG-CZ 4.44Å; I243-F245 HydrophobicContact CB-CE2 4.01Å; I243-F245 HydrophobicContact CG2-CD2 4Å; I243-F245 HydrophobicContact CG2-CE2 3.69Å; I243-F245 HydrophobicContact CG2-CZ 4.14Å; F245-I249 HydrophobicContact CD1-CD1 3.67Å; F245-I249 HydrophobicContact CE1-CD1 4.11Å; F245-P271 HydrophobicContact CB-CG 3.83Å; F245-P271 HydrophobicContact CD1-CG 4.3Å; F245-P271 HydrophobicContact CG-CG 4.33Å; F245-L404 HydrophobicContact CD1-CD2 4.35Å; F245-L404 HydrophobicContact CE1-CB 3.96Å; F245-L404 HydrophobicContact CE1-CD2 4.25Å; F245-L404 VanDerWaalsContact CE1-O 3.24Å; F245-L404 WeakPolarHBondContact CE1-O 3.33Å; F245-L404 HydrophobicContact CZ-CB 3.98Å; F245-L404 WeakPolarHBondContact CZ-O 3.46Å; F245-V407 HydrophobicContact CE1-CG2 4.37Å
246	P	64.9	Low	71.3	Confident	69 Å²	69	71 Å²	71	45%	0.448	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-66.7	163.1	169.2	32	-36.1	0	0	0	110.4	T248 I249	P246-T248 PolarHBondContact O-N 2.69Å; P246-I249 HydrophobicContact CG-CD1 4.19Å; P246-I249 HydrophobicContact CG-CG1 3.54Å
247	D	69.3	Low	72.8	Confident	136 Å²	136	64.8 Å²	64.8	73%	0.727	34%	0.342	S	S	*	.	S	Bend	trans	-55.4	-39.9	-177.5	-65.3	-13.6	0	0	0	112.2	E270	D247-E270 WeakPolarHBondContact O-CG 3.27Å
248	T	74.2	Confident	74.5	Confident	59 Å²	59	60.6 Å²	60.6	36%	0.362	33%	0.326	S	S	.	.			trans	-143.8	134.2	178.2	56.3	0	0	0	0	110.9	P246 I269 E270	P246-T248 PolarHBondContact O-N 2.69Å; T248-I269 WeakPolarHBondContact CA-O 3.09Å; T248-E270 HydrophobicContact CG2-CB 4.15Å; T248-E270 HydrophobicContact CG2-CG 4.16Å
249	I	80.5	Confident	76.1	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.6	175	-52.4	168.9	0	0	0	109.9	Q210 F245 P246 F251 D268 I269	Q210-I249 HydrophobicContact CG-CG2 3.78Å; F245-I249 HydrophobicContact CD1-CD1 3.67Å; F245-I249 HydrophobicContact CE1-CD1 4.11Å; P246-I249 HydrophobicContact CG-CD1 4.19Å; P246-I249 HydrophobicContact CG-CG1 3.54Å; I249-F251 HydrophobicContact CB-CE2 3.83Å; I249-F251 HydrophobicContact CB-CZ 4.24Å; I249-F251 HydrophobicContact CG2-CD2 4.08Å; I249-F251 HydrophobicContact CG2-CE1 4.17Å; I249-F251 HydrophobicContact CG2-CE2 3.28Å; I249-F251 HydrophobicContact CG2-CZ 3.3Å; I249-D268 WeakPolarHBondContact O-CA 3.35Å; I249-I269 PolarHBondContact N-O 3.28Å; I249-I269 PolarHBondContact O-N 2.8Å
250	H	85.1	Confident	77.1	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.7	176.9	-172.6	65.1	0	0	0	111.2	Q210 V211 D213 D268	Q210-H250 WeakPolarHBondContact CA-O 3.33Å; V211-H250 PolarHBondContact N-O 3.42Å; D213-H250 HydrophobicContact CB-CB 4.09Å; H250-D268 IonicContact CE1-OD1 3.47Å; H250-D268 IonicContact CG-OD1 3.26Å; H250-D268 IonicContact ND1-OD1 3.81Å; H250-D268 PolarHBondContact ND1-OD1 3.11Å; H250-D268 IonicContact ND1-OD2 2.65Å
251	F	88.7	Confident	78.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.3	173.1	-60.7	-87.2	0	0	0	110.7	A208 N209 Q210 I249 T266 I267 I269 V407 F411	A208-F251 HydrophobicContact CB-CB 4.22Å; N209-F251 VanDerWaalsContact O-CA 3.3Å; N209-F251 WeakPolarHBondContact O-CA 3.44Å; Q210-F251 HydrophobicContact CB-CD1 3.93Å; Q210-F251 HydrophobicContact CB-CE1 3.66Å; Q210-F251 HydrophobicContact CB-CZ 4.49Å; Q210-F251 HydrophobicContact CG-CE1 4.12Å; I249-F251 HydrophobicContact CB-CE2 3.83Å; I249-F251 HydrophobicContact CB-CZ 4.24Å; I249-F251 HydrophobicContact CG2-CD2 4.08Å; I249-F251 HydrophobicContact CG2-CE1 4.17Å; I249-F251 HydrophobicContact CG2-CE2 3.28Å; I249-F251 HydrophobicContact CG2-CZ 3.3Å; F251-T266 CarbonylContact O-C 2.95Å; F251-T266 VanDerWaalsContact O-CA 3.24Å; F251-T266 WeakPolarHBondContact O-CA 3.48Å; F251-I267 HydrophobicContact CB-CB 4.32Å; F251-I267 PolarHBondContact N-O 3.12Å; F251-I267 PolarHBondContact O-N 2.7Å; F251-I269 HydrophobicContact CD2-CD1 4.22Å; F251-I269 HydrophobicContact CD2-CG1 4.42Å; F251-I269 HydrophobicContact CE2-CD1 3.9Å; F251-I269 HydrophobicContact CE2-CG1 4.29Å; F251-V407 HydrophobicContact CE1-CB 4.33Å; F251-V407 WeakPolarHBondContact CE1-O 3.42Å; F251-V407 HydrophobicContact CE2-CB 4.07Å; F251-V407 HydrophobicContact CZ-CB 3.6Å; F251-V407 HydrophobicContact CZ-CG1 4.42Å; F251-V407 HydrophobicContact CZ-CG2 4.31Å; F251-V407 WeakPolarHBondContact CZ-O 3.24Å; F251-F411 HydrophobicContact CD1-CD1 4.24Å; F251-F411 AromaticContact CD1-CE1 3.51Å; F251-F411 HydrophobicContact CD1-CE1 3.51Å; F251-F411 HydrophobicContact CD1-CZ 4.46Å; F251-F411 HydrophobicContact CD2-CE1 4.11Å; F251-F411 HydrophobicContact CD2-CZ 4.48Å; F251-F411 HydrophobicContact CE1-CD1 4.12Å; F251-F411 AromaticContact CE1-CE1 3.62Å; F251-F411 HydrophobicContact CE1-CE1 3.62Å; F251-F411 HydrophobicContact CE2-CE1 4.2Å; F251-F411 AromaticContact CG-CE1 3.78Å; F251-F411 HydrophobicContact CG-CE1 3.78Å; F251-F411 HydrophobicContact CG-CZ 4.32Å; F251-F411 AromaticContact CZ-CE1 3.99Å; F251-F411 HydrophobicContact CZ-CE1 3.99Å
252	E	89.8	Confident	80	Confident	68 Å²	68	46.3 Å²	46.3	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.2	172.5	-175.4	173.1	-174	0	0	109.1	N209 V211 T266	N209-E252 PolarHBondContact N-O 2.83Å; N209-E252 PolarHBondContact O-N 2.83Å; V211-E252 HydrophobicContact CG2-CB 4.04Å; E252-T266 HydrophobicContact CG-CG2 4.26Å
253	T	90.5	Very high	81.6	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	156.8	172	67.9	0	0	0	0	111	L206 Q207 A208 L265 I413	L206-T253 HydrophobicContact CB-CG2 3.95Å; L206-T253 HydrophobicContact CD1-CG2 4.14Å; Q207-T253 WeakPolarHBondContact O-CA 3.49Å; A208-T253 HydrophobicContact CB-CG2 4.2Å; T253-L265 HydrophobicContact CG2-CB 3.82Å; T253-L265 HydrophobicContact CG2-CD2 4.12Å; T253-L265 HydrophobicContact CG2-CG 4.47Å; T253-L265 PolarHBondContact N-O 3.03Å; T253-L265 WeakPolarHBondContact OG1-CB 3.19Å; T253-L265 PolarHBondContact OG1-N 2.85Å; T253-L265 PolarHBondContact OG1-O 2.86Å; T253-I413 HydrophobicContact CG2-CD1 4.1Å
254	D	87	Confident	82.9	Confident	56 Å²	56	39.8 Å²	39.8	30%	0.299	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.3	153.5	163.5	-65.3	-22.3	0	0	0	110.9	T129 Q207	T129-D254 WeakPolarHBondContact CB-OD2 3.28Å; T129-D254 WeakPolarHBondContact CG2-OD2 3.45Å; T129-D254 PolarHBondContact OG1-OD2 3.38Å; Q207-D254 PolarHBondContact O-N 3.2Å
255	H	87.6	Confident	84.4	Confident	98 Å²	98	35.6 Å²	35.6	45%	0.454	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-67.3	134.3	176.4	-73.9	68.1	0	0	0	110.3	T262 W263	H255-T262 HydrophobicContact CB-CG2 3.66Å; H255-W263 CarbonylContact C-O 3.6Å; H255-W263 VanDerWaalsContact CA-O 3.22Å; H255-W263 WeakPolarHBondContact CA-O 3.07Å
256	F	89.7	Confident	85.5	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.5	-177.9	68.5	-89.7	0	0	0	111.9	I204 L206 T262 W263 L297 L415	I204-F256 HydrophobicContact CD1-CD2 3.83Å; I204-F256 HydrophobicContact CD1-CE2 3.73Å; I204-F256 HydrophobicContact CG2-CD2 4.24Å; L206-F256 HydrophobicContact CD1-CD1 3.73Å; L206-F256 HydrophobicContact CD1-CE1 3.6Å; L206-F256 HydrophobicContact CD1-CG 4.43Å; L206-F256 HydrophobicContact CD1-CZ 4.21Å; L206-F256 HydrophobicContact CD2-CB 3.7Å; L206-F256 HydrophobicContact CD2-CD1 3.62Å; L206-F256 HydrophobicContact CD2-CE1 4.34Å; L206-F256 HydrophobicContact CD2-CG 3.71Å; L206-F256 HydrophobicContact CG-CD1 4.34Å; F256-T262 CarbonylContact O-C 3.58Å; F256-T262 WeakPolarHBondContact O-CA 3.44Å; F256-W263 HydrophobicContact CD1-CB 4.08Å; F256-W263 WeakPolarHBondContact CD1-O 3.03Å; F256-W263 HydrophobicContact CD2-CB 4.09Å; F256-W263 HydrophobicContact CE1-CB 3.66Å; F256-W263 HydrophobicContact CE2-CB 3.68Å; F256-W263 HydrophobicContact CE2-CG 4.14Å; F256-W263 HydrophobicContact CG-CB 4.29Å; F256-W263 HydrophobicContact CZ-CB 3.46Å; F256-W263 VanDerWaalsContact CZ-CB 3.46Å; F256-W263 HydrophobicContact CZ-CG 4.23Å; F256-W263 PolarHBondContact N-O 2.71Å; F256-W263 PolarHBondContact O-N 2.95Å; F256-L297 HydrophobicContact CE1-CD1 4.02Å; F256-L297 HydrophobicContact CZ-CD1 3.76Å; F256-L415 HydrophobicContact CE2-CD2 4.37Å; F256-L415 HydrophobicContact CZ-CD2 3.89Å
257	S	87.8	Confident	86.7	Confident	43 Å²	43	32.5 Å²	32.5	30%	0.301	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.2	-177.8	64.9	0	0	0	0	113	K132 D261	K132-S257 PolarHBondContact NZ-O 3.27Å; S257-D261 WeakPolarHBondContact CA-O 3.3Å
258	Y	89.9	Confident	87.6	Confident	10 Å²	10	26.7 Å²	26.7	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.9	175.5	-178.6	-97.7	0	0	0	110.8	E77 H78 V202 I204 G260 D261 W263 L324 M417 Y420	E77-Y258 HydrophobicContact CB-CE2 4.45Å; E77-Y258 HydrophobicContact CG-CE1 4.5Å; H78-Y258 AromaticContact CE1-CE2 3.93Å; V202-Y258 HydrophobicContact CG1-CD2 4.44Å; V202-Y258 HydrophobicContact CG1-CE2 4.05Å; I204-Y258 HydrophobicContact CD1-CD2 4.06Å; I204-Y258 HydrophobicContact CD1-CG 4.47Å; Y258-G260 PolarHBondContact O-N 2.83Å; Y258-D261 PolarHBondContact N-O 2.82Å; Y258-D261 PolarHBondContact O-N 2.83Å; Y258-D261 VanDerWaalsContact O-N 3.07Å; Y258-W263 PolarHBondContact O-NE1 2.77Å; Y258-L324 HydrophobicContact CE1-CD1 4.06Å; Y258-M417 HydrophobicContact CD1-CE 3.38Å; Y258-M417 HydrophobicContact CD2-CE 3.99Å; Y258-M417 HydrophobicContact CD2-CG 4.18Å; Y258-M417 HydrophobicContact CE1-CE 3.34Å; Y258-M417 HydrophobicContact CE2-CB 3.91Å; Y258-M417 HydrophobicContact CE2-CE 3.95Å; Y258-M417 HydrophobicContact CE2-CG 3.81Å; Y258-M417 HydrophobicContact CG-CE 3.71Å; Y258-Y420 HydrophobicContact CD1-CD2 4.29Å; Y258-Y420 AromaticContact CE1-CD2 3.68Å; Y258-Y420 HydrophobicContact CE1-CD2 3.68Å; Y258-Y420 HydrophobicContact CE1-CE2 4.34Å; Y258-Y420 AromaticContact CE1-CG 3.98Å; Y258-Y420 HydrophobicContact CE1-CG 3.98Å
259	A	86.7	Confident	88.2	Confident	7 Å²	7	23.9 Å²	23.9	6%	0.058	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	31.6	-179	0	0	0	0	0	115.4	E77 D261 Y420	E77-A259 HydrophobicContact CB-CB 3.7Å; E77-A259 HydrophobicContact CG-CB 4.13Å; E77-A259 WeakPolarHBondContact O-CA 3.44Å; A259-D261 PolarHBondContact O-N 3.17Å; A259-Y420 HydrophobicContact CB-CD1 4.08Å; A259-Y420 HydrophobicContact CB-CD2 4.14Å; A259-Y420 HydrophobicContact CB-CE1 3.56Å; A259-Y420 HydrophobicContact CB-CE2 3.62Å; A259-Y420 HydrophobicContact CB-CG 4.33Å
260	G	82.3	Confident	88.4	Confident	83 Å²	83	25.5 Å²	25.5	86%	0.856	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-1.5	-177.8	0	0	0	0	0	114.7	Y258	Y258-G260 PolarHBondContact O-N 2.83Å
261	D	86.9	Confident	88.3	Confident	36 Å²	36	25.8 Å²	25.8	19%	0.193	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	158.2	179.7	-61.1	-58.5	0	0	0	111.7	S257 Y258 A259 W263 K299 Y420	S257-D261 WeakPolarHBondContact CA-O 3.3Å; Y258-D261 PolarHBondContact N-O 2.82Å; Y258-D261 PolarHBondContact O-N 2.83Å; Y258-D261 VanDerWaalsContact O-N 3.07Å; A259-D261 PolarHBondContact O-N 3.17Å; D261-W263 HydrophobicContact CB-CZ2 4.45Å; D261-W263 VanDerWaalsContact O-CD1 3.28Å; D261-K299 HydrophobicContact CB-CD 3.74Å; D261-K299 HydrophobicContact CB-CG 3.96Å; D261-K299 WeakPolarHBondContact OD1-CE 3.4Å; D261-K299 IonicContact OD1-NZ 3.56Å; D261-K299 PolarHBondContact OD1-NZ 3.21Å; D261-K299 WeakPolarHBondContact OD2-CD 3.5Å; D261-K299 VanDerWaalsContact OD2-CE 3.22Å; D261-K299 WeakPolarHBondContact OD2-CE 3.4Å; D261-K299 IonicContact OD2-NZ 2.83Å; D261-K299 PolarHBondContact OD2-NZ 3.49Å; D261-Y420 PolarHBondContact OD2-OH 2.82Å
262	T	89.9	Confident	87.7	Confident	49 Å²	49	27.9 Å²	27.9	30%	0.301	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.8	171.5	-50.8	0	0	0	0	110	H255 F256 K299 T300	H255-T262 HydrophobicContact CB-CG2 3.66Å; F256-T262 CarbonylContact O-C 3.58Å; F256-T262 WeakPolarHBondContact O-CA 3.44Å; T262-K299 WeakPolarHBondContact O-CA 3.25Å; T262-T300 WeakPolarHBondContact CB-OG1 3.24Å; T262-T300 HydrophobicContact CG2-CG2 4.39Å; T262-T300 PolarHBondContact O-N 2.73Å; T262-T300 PolarHBondContact O-OG1 3.19Å
263	W	91.8	Very high	86.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.2	-172.6	-63.2	86.3	0	0	0	111.1	H255 F256 Y258 D261 L297 T298 K299 T322 I343 Y420	H255-W263 CarbonylContact C-O 3.6Å; H255-W263 VanDerWaalsContact CA-O 3.22Å; H255-W263 WeakPolarHBondContact CA-O 3.07Å; F256-W263 HydrophobicContact CD1-CB 4.08Å; F256-W263 WeakPolarHBondContact CD1-O 3.03Å; F256-W263 HydrophobicContact CD2-CB 4.09Å; F256-W263 HydrophobicContact CE1-CB 3.66Å; F256-W263 HydrophobicContact CE2-CB 3.68Å; F256-W263 HydrophobicContact CE2-CG 4.14Å; F256-W263 HydrophobicContact CG-CB 4.29Å; F256-W263 HydrophobicContact CZ-CB 3.46Å; F256-W263 VanDerWaalsContact CZ-CB 3.46Å; F256-W263 HydrophobicContact CZ-CG 4.23Å; F256-W263 PolarHBondContact N-O 2.71Å; F256-W263 PolarHBondContact O-N 2.95Å; Y258-W263 PolarHBondContact O-NE1 2.77Å; D261-W263 HydrophobicContact CB-CZ2 4.45Å; D261-W263 VanDerWaalsContact O-CD1 3.28Å; W263-L297 HydrophobicContact CD2-CD2 4.18Å; W263-L297 HydrophobicContact CE3-CD1 4.4Å; W263-L297 HydrophobicContact CE3-CD2 3.43Å; W263-L297 VanDerWaalsContact CE3-CD2 3.43Å; W263-L297 HydrophobicContact CE3-CG 3.6Å; W263-L297 HydrophobicContact CZ3-CD2 3.63Å; W263-L297 HydrophobicContact CZ3-CG 4.04Å; W263-T298 CarbonylContact C-O 3.52Å; W263-T298 VanDerWaalsContact CA-O 3.25Å; W263-T298 WeakPolarHBondContact CA-O 3.35Å; W263-K299 HydrophobicContact CD2-CB 4.13Å; W263-K299 HydrophobicContact CE3-CB 3.72Å; W263-K299 HydrophobicContact CH2-CB 3.88Å; W263-K299 HydrophobicContact CH2-CD 4.01Å; W263-K299 HydrophobicContact CH2-CG 4.38Å; W263-K299 HydrophobicContact CZ2-CB 4.23Å; W263-K299 HydrophobicContact CZ2-CD 3.84Å; W263-K299 HydrophobicContact CZ2-CG 4.29Å; W263-K299 HydrophobicContact CZ3-CB 3.61Å; W263-T322 HydrophobicContact CH2-CG2 4.09Å; W263-T322 HydrophobicContact CZ2-CG2 4.44Å; W263-I343 HydrophobicContact CH2-CD1 3.81Å; W263-I343 HydrophobicContact CZ3-CD1 3.51Å; W263-Y420 HydrophobicContact CZ2-CE2 4.06Å
264	A	90.1	Very high	85.1	Confident	2 Å²	2	30.7 Å²	30.7	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.8	167.6	0	0	0	0	0	109.6	L297 T298	A264-L297 WeakPolarHBondContact O-CD1 3.01Å; A264-T298 PolarHBondContact N-O 2.92Å; A264-T298 PolarHBondContact O-N 2.88Å; A264-T298 PolarHBondContact O-OG1 3.13Å
265	L	92.2	Very high	83.5	Confident	1 Å²	1	32 Å²	32	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.6	177.6	-174.6	80.2	0	0	0	108.6	T253 I267 I295 L297 I413	T253-L265 HydrophobicContact CG2-CB 3.82Å; T253-L265 HydrophobicContact CG2-CD2 4.12Å; T253-L265 HydrophobicContact CG2-CG 4.47Å; T253-L265 PolarHBondContact N-O 3.03Å; T253-L265 WeakPolarHBondContact OG1-CB 3.19Å; T253-L265 PolarHBondContact OG1-N 2.85Å; T253-L265 PolarHBondContact OG1-O 2.86Å; L265-I267 HydrophobicContact CD2-CD1 3.99Å; L265-I267 HydrophobicContact CD2-CG1 4.23Å; L265-I267 HydrophobicContact CG-CG1 4.31Å; L265-I295 HydrophobicContact CD1-CG2 3.47Å; L265-I295 VanDerWaalsContact CD1-CG2 3.47Å; L265-I295 HydrophobicContact CG-CG2 4.15Å; L265-L297 HydrophobicContact CB-CD1 4.06Å; L265-L297 HydrophobicContact CD1-CB 4.32Å; L265-L297 HydrophobicContact CD1-CD1 3.71Å; L265-I413 HydrophobicContact CD2-CD1 4.39Å; L265-I413 HydrophobicContact CD2-CG2 4.32Å
266	T	90.9	Very high	81.7	Confident	12 Å²	12	34.2 Å²	34.2	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.9	172.3	67.9	0	0	0	0	110.4	F251 E252 I295 C296	F251-T266 CarbonylContact O-C 2.95Å; F251-T266 VanDerWaalsContact O-CA 3.24Å; F251-T266 WeakPolarHBondContact O-CA 3.48Å; E252-T266 HydrophobicContact CG-CG2 4.26Å; T266-I295 WeakPolarHBondContact O-CA 3.36Å; T266-C296 PolarHBondContact N-O 2.95Å; T266-C296 PolarHBondContact O-N 2.78Å; T266-C296 WeakPolarHBondContact OG1-CB 3.35Å
267	I	90.8	Very high	79.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.5	-177.6	-55.1	179.1	0	0	0	108.8	F251 L265 I269 V293 E294 I295 L330 I413	F251-I267 HydrophobicContact CB-CB 4.32Å; F251-I267 PolarHBondContact N-O 3.12Å; F251-I267 PolarHBondContact O-N 2.7Å; L265-I267 HydrophobicContact CD2-CD1 3.99Å; L265-I267 HydrophobicContact CD2-CG1 4.23Å; L265-I267 HydrophobicContact CG-CG1 4.31Å; I267-I269 HydrophobicContact CG2-CD1 4.24Å; I267-I269 HydrophobicContact CG2-CG1 3.82Å; I267-V293 HydrophobicContact CG2-CG1 3.72Å; I267-E294 WeakPolarHBondContact CA-O 3.23Å; I267-I295 HydrophobicContact CG1-CG1 4.18Å; I267-I295 HydrophobicContact CG1-CG2 4.4Å; I267-I295 HydrophobicContact CG2-CG1 4.23Å; I267-L330 HydrophobicContact CD1-CD2 4.47Å; I267-I413 HydrophobicContact CD1-CD1 3.36Å; I267-I413 HydrophobicContact CD1-CG1 4.2Å
268	D	88.1	Confident	77.5	Confident	14 Å²	14	38.9 Å²	38.9	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.6	171.1	-68.3	-47.3	0	0	0	108.6	I249 H250 V293 E294 R847	I249-D268 WeakPolarHBondContact O-CA 3.35Å; H250-D268 IonicContact CE1-OD1 3.47Å; H250-D268 IonicContact CG-OD1 3.26Å; H250-D268 IonicContact ND1-OD1 3.81Å; H250-D268 PolarHBondContact ND1-OD1 3.11Å; H250-D268 IonicContact ND1-OD2 2.65Å; D268-V293 CarbonylContact O-C 3.58Å; D268-V293 VanDerWaalsContact O-CA 3.31Å; D268-V293 WeakPolarHBondContact O-CA 3.49Å; D268-E294 HydrophobicContact CB-CB 4.27Å; D268-E294 PolarHBondContact N-O 2.98Å; D268-E294 PolarHBondContact O-N 2.93Å; D268-R847 IonicContact OD2-NH1 3.68Å
269	I	86.8	Confident	75.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.6	178.5	-53.6	-176.9	0	0	0	109.1	T248 I249 F251 I267 A291 V293 L404 V407	T248-I269 WeakPolarHBondContact CA-O 3.09Å; I249-I269 PolarHBondContact N-O 3.28Å; I249-I269 PolarHBondContact O-N 2.8Å; F251-I269 HydrophobicContact CD2-CD1 4.22Å; F251-I269 HydrophobicContact CD2-CG1 4.42Å; F251-I269 HydrophobicContact CE2-CD1 3.9Å; F251-I269 HydrophobicContact CE2-CG1 4.29Å; I267-I269 HydrophobicContact CG2-CD1 4.24Å; I267-I269 HydrophobicContact CG2-CG1 3.82Å; I269-A291 HydrophobicContact CG2-CB 4.15Å; I269-V293 HydrophobicContact CG1-CG1 4.42Å; I269-V293 HydrophobicContact CG1-CG2 4.16Å; I269-V293 HydrophobicContact CG2-CG2 4.23Å; I269-L404 HydrophobicContact CG2-CD2 4.05Å; I269-V407 HydrophobicContact CD1-CG1 3.97Å
270	E	84.6	Confident	73.2	Confident	39 Å²	39	51 Å²	51	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	95.9	177.2	-178.3	169.3	-172	0	0	108.6	R226 D247 T248 D292	R226-E270 IonicContact NH1-OE1 3.91Å; R226-E270 IonicContact NH1-OE2 3.63Å; R226-E270 PolarHBondContact NH1-OE2 2.76Å; D247-E270 WeakPolarHBondContact O-CG 3.27Å; T248-E270 HydrophobicContact CG2-CB 4.15Å; T248-E270 HydrophobicContact CG2-CG 4.16Å; E270-D292 HydrophobicContact CB-CB 4.36Å; E270-D292 PolarHBondContact N-O 3.24Å; E270-D292 PolarHBondContact O-N 3.01Å
271	P	81.8	Confident	71.1	Confident	15 Å²	15	56 Å²	56	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	178.8	31.3	-32.4	0	0	0	111.9	V233 F245 C290 L404	V233-P271 HydrophobicContact CB-CB 4.37Å; V233-P271 HydrophobicContact CG2-CB 4.11Å; F245-P271 HydrophobicContact CB-CG 3.83Å; F245-P271 HydrophobicContact CD1-CG 4.3Å; F245-P271 HydrophobicContact CG-CG 4.33Å; P271-C290 WeakPolarHBondContact CA-O 3.23Å; P271-L404 HydrophobicContact CB-CD1 3.96Å; P271-L404 HydrophobicContact CB-CD2 3.89Å; P271-L404 HydrophobicContact CG-CD2 4.44Å
272	Y	76	Confident	68.7	Low	44 Å²	44	61.5 Å²	61.5	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.2	174.7	61.8	-82.6	0	0	0	111.8	D274 C290 D292	Y272-D274 HydrophobicContact CE2-CB 4.35Å; Y272-C290 HydrophobicContact CD1-CB 4.39Å; Y272-C290 HydrophobicContact CD2-CB 4.03Å; Y272-C290 HydrophobicContact CE1-CB 3.9Å; Y272-C290 HydrophobicContact CE2-CB 3.51Å; Y272-C290 HydrophobicContact CG-CB 4.45Å; Y272-C290 VanDerWaalsContact CZ-CB 3.45Å; Y272-C290 PolarHBondContact N-O 2.84Å; Y272-C290 PolarHBondContact O-N 2.8Å; Y272-D292 HydrophobicContact CE1-CB 4.25Å; Y272-D292 WeakPolarHBondContact CE1-OD1 3.35Å; Y272-D292 PolarHBondContact OH-OD1 3.39Å; Y272-D292 VanDerWaalsContact OH-OD1 3.05Å
273	R	66.5	Low	66.2	Low	100 Å²	100	64.1 Å²	64.1	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.3	168.8	-68.2	-170.7	179.6	-168.3	-1	109.6	V233 V275 H287	V233-R273 HydrophobicContact CG2-CG 4.31Å; R273-V275 PolarHBondContact O-N 2.82Å; R273-H287 PolarHBondContact NH1-CD2 3.01Å
274	D	60.2	Low	63.8	Low	32 Å²	32	71.4 Å²	71.4	17%	0.171	37%	0.369	C	S	.	.			trans	-80.8	102.3	174	-164.8	0.2	0	0	0	110	Y272 L276 K277 D288	Y272-D274 HydrophobicContact CE2-CB 4.35Å; D274-L276 PolarHBondContact OD1-N 3.37Å; D274-K277 WeakPolarHBondContact OD2-CE 3.41Å; D274-D288 PolarHBondContact N-O 3.25Å
275	V	52.4	Low	61.4	Low	83 Å²	83	78.3 Å²	78.3	50%	0.503	41%	0.406	S	S	.	.			trans	-82.7	-24.8	178.6	-173.9	0	0	0	0	111.1	R273 K277 N278	R273-V275 PolarHBondContact O-N 2.82Å; V275-K277 PolarHBondContact O-N 3.49Å; V275-N278 PolarHBondContact O-N 2.88Å; V275-N278 VanDerWaalsContact O-N 3.12Å
276	L	50.4	Low	59.2	Low	144 Å²	144	84.2 Å²	84.2	75%	0.754	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.9	-172.5	-82.5	161.7	0	0	0	112.8	D274	D274-L276 PolarHBondContact OD1-N 3.37Å
277	K	48.4	Very low	57.3	Low	74 Å²	74	86.9 Å²	86.9	32%	0.322	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-80	-19.4	177.1	-68.6	-176.3	-175.1	-179.1	0	114.3	D274 V275 L279 D358	D274-K277 WeakPolarHBondContact OD2-CE 3.41Å; V275-K277 PolarHBondContact O-N 3.49Å; K277-L279 PolarHBondContact O-N 2.87Å; K277-D358 IonicContact NZ-OD1 3.91Å; K277-D358 PolarHBondContact NZ-OD1 2.98Å; K277-D358 IonicContact NZ-OD2 3.5Å; K277-D358 PolarHBondContact NZ-OD2 3.32Å
278	N	42	Very low	56.1	Low	71 Å²	71	88.4 Å²	88.4	38%	0.38	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-84.3	17.9	-177.8	-75.7	-37.7	0	0	0	114.5	V275 N280 H287	V275-N278 PolarHBondContact O-N 2.88Å; V275-N278 VanDerWaalsContact O-N 3.12Å; N278-N280 PolarHBondContact O-N 3.45Å; N278-H287 PolarHBondContact ND2-ND1 3.2Å
279	L	45.2	Very low	55.4	Low	127 Å²	127	88.5 Å²	88.5	67%	0.665	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-75.4	-7.3	170.9	-76.7	167.8	0	0	0	113.3	K277 F281	K277-L279 PolarHBondContact O-N 2.87Å; L279-F281 PolarHBondContact O-N 3.4Å
280	N	40.6	Very low	55.1	Low	143 Å²	143	88.5 Å²	88.5	77%	0.765	46%	0.458	S	S	*	.	S	Bend	trans	-83.9	101.2	165	-74.3	-13	0	0	0	108.5	N278 D282	N278-N280 PolarHBondContact O-N 3.45Å; N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.38Å
281	F	36.7	Very low	55.1	Low	190 Å²	190	86.7 Å²	86.7	83%	0.833	45%	0.449	S	S	*	.			trans	-65.4	82.5	173.5	-72.5	-93.5	0	0	0	110.1	L279	L279-F281 PolarHBondContact O-N 3.4Å
282	D	37.8	Very low	55.3	Low	151 Å²	151	88.1 Å²	88.1	81%	0.807	46%	0.456	S	S	*	.			trans	-140.6	139.7	157.7	-90.2	-39.6	0	0	0	109.5	N280	N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.38Å
283	S	37.7	Very low	55.9	Low	104 Å²	104	86.2 Å²	86.2	73%	0.727	45%	0.449	S	S	*	.	S	Bend	trans	-34.8	150.1	-178.4	48.1	0	0	0	0	117.3
284	D	41.4	Very low	57.1	Low	153 Å²	153	82.5 Å²	82.5	82%	0.818	44%	0.436	S	S	*	.			trans	87.9	103.7	173.4	-63.7	-23.7	0	0	0	115.6	N286	D284-N286 PolarHBondContact O-N 2.72Å
285	N	40	Very low	58.6	Low	147 Å²	147	81 Å²	81	79%	0.786	43%	0.428	S	S	*	.			trans	-60.6	43	-175.9	-75.6	-39.1	0	0	0	115.7	H287	N285-H287 PolarHBondContact O-N 3.29Å
286	N	45.1	Very low	60.5	Low	124 Å²	124	77.7 Å²	77.7	66%	0.663	41%	0.408	S	S	*	.			trans	-77.1	77.6	166.6	-127.7	25.4	0	0	0	107.9	D284 D288	D284-N286 PolarHBondContact O-N 2.72Å; N286-D288 PolarHBondContact O-N 3.09Å
287	H	50.7	Low	62.5	Low	68 Å²	68	70.8 Å²	70.8	32%	0.315	37%	0.372	S	S	.	.			trans	-64.2	107.8	166	-66	-55.1	0	0	0	107.7	R273 N278 N285 V289	R273-H287 PolarHBondContact NH1-CD2 3.01Å; N278-H287 PolarHBondContact ND2-ND1 3.2Å; N285-H287 PolarHBondContact O-N 3.29Å; H287-V289 PolarHBondContact O-N 2.97Å; H287-V289 VanDerWaalsContact O-N 3.09Å
288	D	65.1	Low	64.5	Low	34 Å²	34	68.2 Å²	68.2	18%	0.182	36%	0.363	C	S	.	.			trans	-54.6	117.4	173.9	-72.1	-7.5	0	0	0	109.2	D274 N286	D274-D288 PolarHBondContact N-O 3.25Å; N286-D288 PolarHBondContact O-N 3.09Å
289	V	73.5	Confident	66.7	Low	15 Å²	15	67.1 Å²	67.1	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.8	176.9	-179.2	0	0	0	0	107.5	V233 L235 H287 V400 L404	V233-V289 HydrophobicContact CG1-CG1 4.01Å; L235-V289 HydrophobicContact CD2-CG2 4.42Å; H287-V289 PolarHBondContact O-N 2.97Å; H287-V289 VanDerWaalsContact O-N 3.09Å; V289-V400 HydrophobicContact CG1-CG1 4.38Å; V289-V400 WeakPolarHBondContact O-CG1 3.44Å; V289-L404 HydrophobicContact CG1-CD1 3.41Å; V289-L404 VanDerWaalsContact CG1-CD1 3.41Å
290	C	80.6	Confident	68.3	Low	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.2	177.6	-67.6	0	0	0	0	110.2	P271 Y272 F357	P271-C290 WeakPolarHBondContact CA-O 3.23Å; Y272-C290 HydrophobicContact CD1-CB 4.39Å; Y272-C290 HydrophobicContact CD2-CB 4.03Å; Y272-C290 HydrophobicContact CE1-CB 3.9Å; Y272-C290 HydrophobicContact CE2-CB 3.51Å; Y272-C290 HydrophobicContact CG-CB 4.45Å; Y272-C290 VanDerWaalsContact CZ-CB 3.45Å; Y272-C290 PolarHBondContact N-O 2.84Å; Y272-C290 PolarHBondContact O-N 2.8Å; C290-F357 VanDerWaalsContact CA-O 3.32Å; C290-F357 WeakPolarHBondContact CA-O 3.24Å
291	A	84.4	Confident	69.4	Low	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	124.3	174.5	0	0	0	0	0	110.8	I269 F357 V400 L404	I269-A291 HydrophobicContact CG2-CB 4.15Å; A291-F357 PolarHBondContact N-O 2.87Å; A291-F357 PolarHBondContact O-N 2.88Å; A291-V400 HydrophobicContact CB-CG1 4.03Å; A291-L404 HydrophobicContact CB-CD2 4.49Å
292	D	86.6	Confident	70.3	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.1	168.5	-76.6	1	0	0	0	108.3	E270 Y272 T356	E270-D292 HydrophobicContact CB-CB 4.36Å; E270-D292 PolarHBondContact N-O 3.24Å; E270-D292 PolarHBondContact O-N 3.01Å; Y272-D292 HydrophobicContact CE1-CB 4.25Å; Y272-D292 WeakPolarHBondContact CE1-OD1 3.35Å; Y272-D292 PolarHBondContact OH-OD1 3.39Å; Y272-D292 VanDerWaalsContact OH-OD1 3.05Å; D292-T356 WeakPolarHBondContact OD1-CG2 3.49Å
293	V	89.1	Confident	70.8	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.9	-176	-178.1	0	0	0	0	110.1	I267 D268 I269 I295 C354 C355 F357	I267-V293 HydrophobicContact CG2-CG1 3.72Å; D268-V293 CarbonylContact O-C 3.58Å; D268-V293 VanDerWaalsContact O-CA 3.31Å; D268-V293 WeakPolarHBondContact O-CA 3.49Å; I269-V293 HydrophobicContact CG1-CG1 4.42Å; I269-V293 HydrophobicContact CG1-CG2 4.16Å; I269-V293 HydrophobicContact CG2-CG2 4.23Å; V293-I295 HydrophobicContact CG1-CD1 4.05Å; V293-I295 HydrophobicContact CG1-CG1 3.82Å; V293-C354 CarbonylContact O-C 3.59Å; V293-C354 WeakPolarHBondContact O-CA 3.31Å; V293-C355 PolarHBondContact N-O 3.03Å; V293-C355 PolarHBondContact O-N 2.99Å; V293-F357 HydrophobicContact CB-CD2 4.26Å; V293-F357 HydrophobicContact CB-CE2 4.01Å; V293-F357 HydrophobicContact CG1-CE2 4.4Å; V293-F357 HydrophobicContact CG2-CD2 3.51Å; V293-F357 HydrophobicContact CG2-CE2 3.62Å
294	E	90.8	Very high	71.2	Confident	23 Å²	23	58.4 Å²	58.4	11%	0.107	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.5	175.1	-178.1	171.7	169.9	0	0	109.8	I267 D268 A352 H353	I267-E294 WeakPolarHBondContact CA-O 3.23Å; D268-E294 HydrophobicContact CB-CB 4.27Å; D268-E294 PolarHBondContact N-O 2.98Å; D268-E294 PolarHBondContact O-N 2.93Å; E294-A352 HydrophobicContact CG-CB 3.54Å; E294-A352 WeakPolarHBondContact OE1-CB 3.38Å; E294-H353 CarbonylContact C-O 3.55Å; E294-H353 WeakPolarHBondContact CA-O 3.25Å
295	I	92.8	Very high	71.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.5	-174.6	-56.6	-177.6	0	0	0	109.4	L265 T266 I267 V293 T336 M339 F341 H353	L265-I295 HydrophobicContact CD1-CG2 3.47Å; L265-I295 VanDerWaalsContact CD1-CG2 3.47Å; L265-I295 HydrophobicContact CG-CG2 4.15Å; T266-I295 WeakPolarHBondContact O-CA 3.36Å; I267-I295 HydrophobicContact CG1-CG1 4.18Å; I267-I295 HydrophobicContact CG1-CG2 4.4Å; I267-I295 HydrophobicContact CG2-CG1 4.23Å; V293-I295 HydrophobicContact CG1-CD1 4.05Å; V293-I295 HydrophobicContact CG1-CG1 3.82Å; I295-T336 HydrophobicContact CD1-CG2 3.35Å; I295-M339 HydrophobicContact CB-SD 4.26Å; I295-M339 HydrophobicContact CD1-SD 3.92Å; I295-M339 HydrophobicContact CG2-SD 4.1Å; I295-F341 HydrophobicContact CG2-CZ 4.41Å; I295-F341 WeakPolarHBondContact O-CE1 3.34Å; I295-H353 PolarHBondContact N-O 2.98Å; I295-H353 PolarHBondContact O-N 3.42Å
296	C	91.6	Very high	71.4	Confident	13 Å²	13	52.3 Å²	52.3	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	173.1	-68.2	0	0	0	0	109.9	T266 P349 A352	T266-C296 PolarHBondContact N-O 2.95Å; T266-C296 PolarHBondContact O-N 2.78Å; T266-C296 WeakPolarHBondContact OG1-CB 3.35Å; C296-P349 HydrophobicContact CB-CG 4.33Å; C296-A352 WeakPolarHBondContact SG-CB 3.27Å
297	L	92.7	Very high	71.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.9	167.8	-167.9	76.6	0	0	0	109.1	F256 W263 A264 L265 L324 F341 P349	F256-L297 HydrophobicContact CE1-CD1 4.02Å; F256-L297 HydrophobicContact CZ-CD1 3.76Å; W263-L297 HydrophobicContact CD2-CD2 4.18Å; W263-L297 HydrophobicContact CE3-CD1 4.4Å; W263-L297 HydrophobicContact CE3-CD2 3.43Å; W263-L297 VanDerWaalsContact CE3-CD2 3.43Å; W263-L297 HydrophobicContact CE3-CG 3.6Å; W263-L297 HydrophobicContact CZ3-CD2 3.63Å; W263-L297 HydrophobicContact CZ3-CG 4.04Å; A264-L297 WeakPolarHBondContact O-CD1 3.01Å; L265-L297 HydrophobicContact CB-CD1 4.06Å; L265-L297 HydrophobicContact CD1-CB 4.32Å; L265-L297 HydrophobicContact CD1-CD1 3.71Å; L297-L324 HydrophobicContact CD2-CD2 3.12Å; L297-F341 HydrophobicContact CB-CD2 4.2Å; L297-F341 HydrophobicContact CB-CE2 4.17Å; L297-F341 HydrophobicContact CB-CG 4.43Å; L297-F341 HydrophobicContact CB-CZ 4.38Å; L297-P349 WeakPolarHBondContact O-CD 2.97Å
298	T	89.6	Confident	71.2	Confident	19 Å²	19	54 Å²	54	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.4	-179	61.6	0	0	0	0	109.6	W263 A264 G347 W348	W263-T298 CarbonylContact C-O 3.52Å; W263-T298 VanDerWaalsContact CA-O 3.25Å; W263-T298 WeakPolarHBondContact CA-O 3.35Å; A264-T298 PolarHBondContact N-O 2.92Å; A264-T298 PolarHBondContact O-N 2.88Å; A264-T298 PolarHBondContact O-OG1 3.13Å; T298-G347 WeakPolarHBondContact CA-O 3.34Å; T298-W348 HydrophobicContact CG2-CD2 4.27Å; T298-W348 HydrophobicContact CG2-CE3 3.43Å; T298-W348 VanDerWaalsContact CG2-CE3 3.43Å; T298-W348 HydrophobicContact CG2-CH2 4.12Å; T298-W348 HydrophobicContact CG2-CZ3 3.36Å
299	K	88.5	Confident	70.3	Confident	48 Å²	48	57.5 Å²	57.5	21%	0.209	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.7	176	173.6	174.5	147.7	169.3	0	108.4	D261 T262 W263 S301 I343 G347	D261-K299 HydrophobicContact CB-CD 3.74Å; D261-K299 HydrophobicContact CB-CG 3.96Å; D261-K299 WeakPolarHBondContact OD1-CE 3.4Å; D261-K299 IonicContact OD1-NZ 3.56Å; D261-K299 PolarHBondContact OD1-NZ 3.21Å; D261-K299 WeakPolarHBondContact OD2-CD 3.5Å; D261-K299 VanDerWaalsContact OD2-CE 3.22Å; D261-K299 WeakPolarHBondContact OD2-CE 3.4Å; D261-K299 IonicContact OD2-NZ 2.83Å; D261-K299 PolarHBondContact OD2-NZ 3.49Å; T262-K299 WeakPolarHBondContact O-CA 3.25Å; W263-K299 HydrophobicContact CD2-CB 4.13Å; W263-K299 HydrophobicContact CE3-CB 3.72Å; W263-K299 HydrophobicContact CH2-CB 3.88Å; W263-K299 HydrophobicContact CH2-CD 4.01Å; W263-K299 HydrophobicContact CH2-CG 4.38Å; W263-K299 HydrophobicContact CZ2-CB 4.23Å; W263-K299 HydrophobicContact CZ2-CD 3.84Å; W263-K299 HydrophobicContact CZ2-CG 4.29Å; W263-K299 HydrophobicContact CZ3-CB 3.61Å; K299-S301 PolarHBondContact O-N 3.42Å; K299-S301 VanDerWaalsContact O-N 3.14Å; K299-I343 HydrophobicContact CB-CG2 4.48Å; K299-G347 PolarHBondContact N-O 2.74Å; K299-G347 VanDerWaalsContact O-CA 3.22Å; K299-G347 WeakPolarHBondContact O-CA 3.37Å
300	T	79.6	Confident	69	Low	50 Å²	50	60.7 Å²	60.7	31%	0.307	31%	0.308	S	S	.	.			trans	-68	114.9	169.4	62.7	0	0	0	0	108.4	T262 Q302	T262-T300 WeakPolarHBondContact CB-OG1 3.24Å; T262-T300 HydrophobicContact CG2-CG2 4.39Å; T262-T300 PolarHBondContact O-N 2.73Å; T262-T300 PolarHBondContact O-OG1 3.19Å; T300-Q302 PolarHBondContact O-N 2.76Å; T300-Q302 VanDerWaalsContact O-N 3.13Å
301	S	63	Low	67.5	Low	50 Å²	50	62.8 Å²	62.8	35%	0.35	32%	0.316	S	S	.	.			trans	-76.1	100.8	171.1	179.8	0	0	0	0	108.6	K299 H303 S345	K299-S301 PolarHBondContact O-N 3.42Å; K299-S301 VanDerWaalsContact O-N 3.14Å; S301-H303 PolarHBondContact O-N 3.39Å; S301-H303 PolarHBondContact OG-CD2 2.86Å; S301-H303 PolarHBondContact OG-N 3.16Å; S301-S345 PolarHBondContact OG-O 3.34Å
302	Q	55.4	Low	65.9	Low	157 Å²	157	69.3 Å²	69.3	73%	0.734	35%	0.351	S	S	*	.			trans	-68.8	81.4	155.3	-68	-175.1	10.2	0	0	106.6	T300 K304	T300-Q302 PolarHBondContact O-N 2.76Å; T300-Q302 VanDerWaalsContact O-N 3.13Å; Q302-K304 PolarHBondContact O-N 3.4Å
303	H	49.1	Very low	64.5	Low	130 Å²	130	74.1 Å²	74.1	60%	0.602	38%	0.382	S	S	*	.			trans	-64.7	89	157.2	-95.6	-71.3	0	0	0	105.1	S301 T305	S301-H303 PolarHBondContact O-N 3.39Å; S301-H303 PolarHBondContact OG-CD2 2.86Å; S301-H303 PolarHBondContact OG-N 3.16Å; H303-T305 PolarHBondContact O-N 2.82Å
304	K	45.3	Very low	63.4	Low	145 Å²	145	76.6 Å²	76.6	63%	0.63	39%	0.393	S	S	*	.			trans	-55.9	102.1	141.4	-72.3	-175.6	-179.8	178.6	0	102.5	Q302 D306	Q302-K304 PolarHBondContact O-N 3.4Å; K304-D306 PolarHBondContact O-N 2.74Å
305	T	42.4	Very low	62.5	Low	109 Å²	109	84 Å²	84	67%	0.669	43%	0.425	S	S	*	.			trans	-62.4	74.7	156.3	45.2	0	0	0	0	104.3	H303 N307	H303-T305 PolarHBondContact O-N 2.82Å; T305-N307 PolarHBondContact O-N 2.96Å
306	D	43.6	Very low	61.5	Low	64 Å²	64	85.2 Å²	85.2	34%	0.342	43%	0.433	S	S	.	.			trans	-58.2	99.6	156.7	-71.2	-22.1	0	0	0	101	K304 Y308 S449	K304-D306 PolarHBondContact O-N 2.74Å; D306-Y308 VanDerWaalsContact O-CD2 3.32Å; D306-Y308 WeakPolarHBondContact O-CD2 3.15Å; D306-Y308 PolarHBondContact O-N 3.18Å; D306-S449 PolarHBondContact OD2-OG 2.93Å
307	N	43.1	Very low	60.8	Low	120 Å²	120	88.2 Å²	88.2	64%	0.642	45%	0.448	S	S	*	.			trans	-55.9	98.8	174.9	-81.7	-26.3	0	0	0	104.4	T305 T309	T305-N307 PolarHBondContact O-N 2.96Å; N307-T309 HydrophobicContact CB-CG2 4.27Å; N307-T309 WeakPolarHBondContact CB-OG1 3.28Å; N307-T309 PolarHBondContact O-N 3Å; N307-T309 PolarHBondContact O-OG1 3.14Å
308	Y	48.1	Very low	60.1	Low	108 Å²	108	90.1 Å²	90.1	42%	0.424	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-64.2	8.1	176.6	-65.2	-73.3	0	0	0	111.6	D306 Y310 Y311 P316 M445	D306-Y308 VanDerWaalsContact O-CD2 3.32Å; D306-Y308 WeakPolarHBondContact O-CD2 3.15Å; D306-Y308 PolarHBondContact O-N 3.18Å; Y308-Y310 PolarHBondContact O-N 2.81Å; Y308-Y311 PolarHBondContact O-N 2.73Å; Y308-Y311 VanDerWaalsContact O-N 3.08Å; Y308-P316 HydrophobicContact CD1-CG 3.58Å; Y308-P316 HydrophobicContact CE1-CG 3.53Å; Y308-P316 HydrophobicContact CG-CG 4.26Å; Y308-M445 HydrophobicContact CE1-CG 4.09Å
309	T	46.1	Very low	59.8	Low	107 Å²	107	92.3 Å²	92.3	66%	0.656	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-55.7	-6.8	166.7	58.3	0	0	0	0	113.2	N307	N307-T309 HydrophobicContact CB-CG2 4.27Å; N307-T309 WeakPolarHBondContact CB-OG1 3.28Å; N307-T309 PolarHBondContact O-N 3Å; N307-T309 PolarHBondContact O-OG1 3.14Å
310	Y	46.9	Very low	59.8	Low	81 Å²	81	93.3 Å²	93.3	32%	0.318	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-79.3	-29.9	173.2	-164.7	-91.2	0	0	0	113.2	Y308 D312 K472 T473 D474	Y308-Y310 PolarHBondContact O-N 2.81Å; Y310-D312 PolarHBondContact O-N 3.13Å; Y310-K472 HydrophobicContact CE1-CB 3.92Å; Y310-K472 HydrophobicContact CE1-CG 4.22Å; Y310-T473 PolarHBondContact OH-O 3.05Å; Y310-T473 VanDerWaalsContact OH-O 3.06Å; Y310-D474 WeakPolarHBondContact OH-CA 3.48Å; Y310-D474 PolarHBondContact OH-N 3.01Å; Y310-D474 PolarHBondContact OH-OD1 3.37Å
311	Y	49.3	Very low	60.3	Low	45 Å²	45	93.4 Å²	93.4	18%	0.176	48%	0.48	C	S	.	.			trans	-95.1	81.2	172.9	-57.8	-72.7	0	0	0	108.5	Y308 V313 E314 L443 P451	Y308-Y311 PolarHBondContact O-N 2.73Å; Y308-Y311 VanDerWaalsContact O-N 3.08Å; Y311-V313 PolarHBondContact O-N 3.28Å; Y311-V313 VanDerWaalsContact O-N 3.08Å; Y311-E314 VanDerWaalsContact CB-O 3.31Å; Y311-E314 WeakPolarHBondContact CB-O 3.37Å; Y311-L443 HydrophobicContact CD1-CD2 3.82Å; Y311-L443 HydrophobicContact CD2-CD2 3.9Å; Y311-L443 HydrophobicContact CE1-CD2 4.03Å; Y311-L443 HydrophobicContact CE2-CD2 4.1Å; Y311-L443 HydrophobicContact CG-CD2 3.77Å; Y311-P451 WeakPolarHBondContact OH-CB 3.35Å; Y311-P451 VanDerWaalsContact OH-CG 3.27Å; Y311-P451 WeakPolarHBondContact OH-CG 3.45Å
312	D	50.2	Low	61.7	Low	137 Å²	137	91.5 Å²	91.5	73%	0.733	47%	0.467	S	S	*	.	S	Bend	trans	-59.8	-19.1	179.6	-87.6	-31.6	0	0	0	113.3	Y310	Y310-D312 PolarHBondContact O-N 3.13Å
313	V	56.9	Low	63.5	Low	148 Å²	148	87 Å²	87	90%	0.897	44%	0.443	S	S	*	.	S	Bend	trans	-101.2	-39.6	-170.8	-171.5	0	0	0	0	113.5	Y311	Y311-V313 PolarHBondContact O-N 3.28Å; Y311-V313 VanDerWaalsContact O-N 3.08Å
314	E	66.7	Low	65.7	Low	55 Å²	55	80.8 Å²	80.8	26%	0.257	41%	0.414	S	S	.	.			trans	-143.5	120.8	-171.8	-162.3	-177.7	157.6	0	0	110.9	Y311 C442 L443 R453	Y311-E314 VanDerWaalsContact CB-O 3.31Å; Y311-E314 WeakPolarHBondContact CB-O 3.37Å; E314-C442 VanDerWaalsContact OE1-CA 3.29Å; E314-C442 WeakPolarHBondContact OE1-CA 3.29Å; E314-L443 PolarHBondContact OE1-N 3.18Å; E314-R453 IonicContact OE2-CZ 2.79Å; E314-R453 IonicContact OE2-NH1 3.44Å; E314-R453 IonicContact OE2-NH2 3.97Å; E314-R453 PolarHBondContact OE2-NH2 2.86Å; E314-R453 VanDerWaalsContact OE2-NH2 3.1Å
315	K	71	Confident	68.1	Low	178 Å²	178	75.5 Å²	75.5	77%	0.774	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-73.9	132.6	172.3	-68.6	-175.1	-178.4	-179.6	0	108.9	L317	K315-L317 PolarHBondContact O-N 2.74Å
316	P	71.7	Confident	70.6	Confident	25 Å²	25	70.3 Å²	70.3	16%	0.162	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-58.7	127.6	177.2	22.5	-30.8	0	0	0	110.2	Y308 L443 M445	Y308-P316 HydrophobicContact CD1-CG 3.58Å; Y308-P316 HydrophobicContact CE1-CG 3.53Å; Y308-P316 HydrophobicContact CG-CG 4.26Å; P316-L443 CarbonylContact C-O 3.55Å; P316-L443 WeakPolarHBondContact CA-O 2.95Å; P316-L443 HydrophobicContact CB-CD2 4.22Å; P316-L443 HydrophobicContact CB-CG 4.16Å; P316-M445 HydrophobicContact CB-CG 3.68Å; P316-M445 HydrophobicContact CB-SD 4.34Å; P316-M445 HydrophobicContact CG-CG 3.9Å
317	L	76.7	Confident	73	Confident	77 Å²	77	68.7 Å²	68.7	40%	0.403	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-85	153.8	172	-72	173	0	0	0	110	K315 V426 C442 L443 I444	K315-L317 PolarHBondContact O-N 2.74Å; L317-V426 HydrophobicContact CB-CG1 4.29Å; L317-C442 HydrophobicContact CD1-CB 3.89Å; L317-L443 PolarHBondContact N-O 3.09Å; L317-I444 WeakPolarHBondContact O-CA 3.07Å; L317-I444 WeakPolarHBondContact O-CG2 3.49Å
318	G	79.3	Confident	75.5	Confident	39 Å²	39	63 Å²	63	40%	0.402	32%	0.322	S	S	.	.			trans	117.3	148	176.5	0	0	0	0	0	113.1	V425	G318-V425 CarbonylContact C-O 3.08Å; G318-V425 VanDerWaalsContact CA-O 3.28Å; G318-V425 WeakPolarHBondContact CA-O 3.48Å
319	T	83.9	Confident	77.5	Confident	66 Å²	66	60 Å²	60	41%	0.405	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.1	174.1	50.3	0	0	0	0	108.3	W321 V425	T319-W321 PolarHBondContact OG1-NE1 3.01Å; T319-V425 PolarHBondContact N-O 2.81Å; T319-V425 PolarHBondContact O-N 2.91Å; T319-V425 PolarHBondContact OG1-O 2.83Å
320	Q	88.1	Confident	79.7	Confident	68 Å²	68	55.3 Å²	55.3	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.9	174.6	-67.6	179.5	-4.8	0	0	109.1	G344 S345 L423 D446	Q320-G344 CarbonylContact O-C 3.52Å; Q320-S345 PolarHBondContact O-N 3.46Å; Q320-L423 CarbonylContact C-O 3.54Å; Q320-L423 WeakPolarHBondContact CA-O 3.24Å; Q320-D446 PolarHBondContact NE2-O 3.35Å
321	W	90	Very high	81.5	Confident	52 Å²	52	52.5 Å²	52.5	20%	0.197	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.3	177	-69.3	86.2	0	0	0	109.8	T319 L342 I343 G344 L423 V425	T319-W321 PolarHBondContact OG1-NE1 3.01Å; W321-L342 HydrophobicContact CB-CD1 4.26Å; W321-L342 HydrophobicContact CD2-CG 4.46Å; W321-L342 HydrophobicContact CE3-CD1 4Å; W321-L342 HydrophobicContact CE3-CD2 4.18Å; W321-L342 HydrophobicContact CE3-CG 3.59Å; W321-L342 HydrophobicContact CZ3-CD2 4.28Å; W321-L342 HydrophobicContact CZ3-CG 3.94Å; W321-I343 CarbonylContact C-O 3.55Å; W321-I343 VanDerWaalsContact CA-O 3.3Å; W321-I343 WeakPolarHBondContact CA-O 3.43Å; W321-I343 VanDerWaalsContact CE3-C 3.44Å; W321-G344 VanDerWaalsContact CE3-CA 3.4Å; W321-L423 HydrophobicContact CB-CB 4.05Å; W321-L423 HydrophobicContact CB-CD1 4.5Å; W321-L423 PolarHBondContact N-O 2.7Å; W321-L423 PolarHBondContact O-N 2.9Å; W321-V425 HydrophobicContact CG-CG2 4.41Å
322	T	92.3	Very high	82.9	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.8	171.2	-58.6	0	0	0	0	107.8	W263 I343 Y420 E421	W263-T322 HydrophobicContact CH2-CG2 4.09Å; W263-T322 HydrophobicContact CZ2-CG2 4.44Å; T322-I343 PolarHBondContact N-O 2.85Å; T322-I343 PolarHBondContact O-N 2.92Å; T322-Y420 HydrophobicContact CG2-CD2 3.85Å; T322-Y420 HydrophobicContact CG2-CE2 3.3Å; T322-E421 WeakPolarHBondContact CA-O 3.36Å
323	R	93.5	Very high	84.3	Confident	61 Å²	61	51.3 Å²	51.3	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	169.9	-164.8	-175.6	-48.2	148.7	-1	108.3	F341 L342 Y420 E421 L423 E648	R323-F341 WeakPolarHBondContact CA-O 3.31Å; R323-L342 HydrophobicContact CB-CD1 4.19Å; R323-L342 HydrophobicContact CG-CD1 4.44Å; R323-Y420 WeakPolarHBondContact O-CA 3.44Å; R323-E421 HydrophobicContact CB-CG 3.52Å; R323-E421 VanDerWaalsContact CB-OE1 3.29Å; R323-E421 WeakPolarHBondContact CB-OE1 3.48Å; R323-E421 WeakPolarHBondContact CD-OE1 3.21Å; R323-E421 IonicContact CZ-OE1 3.39Å; R323-E421 PolarHBondContact N-O 3.28Å; R323-E421 IonicContact NE-OE1 3.73Å; R323-E421 PolarHBondContact NE-OE1 2.83Å; R323-E421 IonicContact NH1-OE1 3.66Å; R323-E421 PolarHBondContact NH1-OE1 3.2Å; R323-E421 IonicContact NH1-OE2 3.55Å; R323-E421 IonicContact NH2-OE1 2.79Å; R323-E421 PolarHBondContact O-N 3.44Å; R323-L423 HydrophobicContact CB-CD1 4.24Å; R323-E648 IonicContact CZ-OE1 3.03Å; R323-E648 IonicContact NH2-OE1 3.59Å; R323-E648 PolarHBondContact NH2-OE1 3.03Å; R323-E648 IonicContact NH2-OE2 3.59Å
324	L	94.1	Very high	85.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134	-176.4	-178	77.5	0	0	0	109.9	Y258 L297 F341 M417 F419 Y420	Y258-L324 HydrophobicContact CE1-CD1 4.06Å; L297-L324 HydrophobicContact CD2-CD2 3.12Å; L324-F341 PolarHBondContact N-O 3.5Å; L324-F341 PolarHBondContact O-N 3.32Å; L324-M417 HydrophobicContact CD1-CE 3.49Å; L324-M417 VanDerWaalsContact CD1-CE 3.49Å; L324-M417 HydrophobicContact CD2-CE 3.87Å; L324-M417 HydrophobicContact CG-CE 4.25Å; L324-F419 WeakPolarHBondContact CA-O 3.42Å; L324-F419 WeakPolarHBondContact CD1-O 3.48Å; L324-Y420 HydrophobicContact CD1-CD2 3.86Å
325	L	95.3	Very high	86.7	Confident	34 Å²	34	42.9 Å²	42.9	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	169.4	-56.7	172.9	0	0	0	108.9	L338 M339 K340 I418 F419	L325-L338 HydrophobicContact CB-CD1 4.02Å; L325-L338 HydrophobicContact CD2-CG 4.5Å; L325-M339 WeakPolarHBondContact CA-O 3.28Å; L325-K340 HydrophobicContact CD2-CB 3.8Å; L325-K340 HydrophobicContact CD2-CD 3.63Å; L325-K340 HydrophobicContact CD2-CG 3.37Å; L325-I418 HydrophobicContact CB-CB 4.31Å; L325-I418 WeakPolarHBondContact O-CB 2.85Å; L325-I418 PolarHBondContact O-N 3.12Å; L325-F419 HydrophobicContact CB-CB 3.82Å; L325-F419 HydrophobicContact CD1-CB 3.68Å; L325-F419 HydrophobicContact CD1-CD1 4.05Å; L325-F419 HydrophobicContact CD1-CG 4.15Å; L325-F419 HydrophobicContact CG-CB 3.95Å; L325-F419 HydrophobicContact CG-CD1 4.41Å; L325-F419 PolarHBondContact N-O 3.35Å; L325-F419 PolarHBondContact O-N 2.68Å; L325-F419 VanDerWaalsContact O-N 3.15Å
326	C	95.3	Very high	87.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.2	177.7	55.5	0	0	0	0	112.1	M339 L415 E416 M417	C326-M339 PolarHBondContact N-O 3.41Å; C326-M339 VanDerWaalsContact N-O 3.11Å; C326-M339 WeakPolarHBondContact O-CA 3.29Å; C326-M339 VanDerWaalsContact O-CB 3.27Å; C326-M339 WeakPolarHBondContact O-CB 3.48Å; C326-M339 PolarHBondContact O-N 2.79Å; C326-L415 HydrophobicContact CB-CD1 4.04Å; C326-L415 HydrophobicContact CB-CG 4.34Å; C326-E416 CarbonylContact C-O 3.54Å; C326-E416 WeakPolarHBondContact CA-O 3.03Å; C326-E416 WeakPolarHBondContact CB-O 3.43Å; C326-M417 HydrophobicContact CB-SD 3.99Å
327	N	95.5	Very high	88.2	Confident	29 Å²	29	34.5 Å²	34.5	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.8	169.3	-69.4	-24.8	0	0	0	109	Y329 G337 L338 L415 E416 I418	N327-Y329 HydrophobicContact CB-CE2 4.08Å; N327-G337 PolarHBondContact OD1-O 2.8Å; N327-G337 VanDerWaalsContact OD1-O 3.06Å; N327-L338 WeakPolarHBondContact OD1-CA 3.44Å; N327-L338 PolarHBondContact OD1-N 3.42Å; N327-L415 WeakPolarHBondContact O-CA 3.41Å; N327-E416 HydrophobicContact CB-CB 4.26Å; N327-E416 PolarHBondContact N-O 2.75Å; N327-E416 PolarHBondContact ND2-OE2 2.89Å; N327-E416 VanDerWaalsContact ND2-OE2 3.08Å; N327-E416 PolarHBondContact O-N 3.46Å; N327-I418 HydrophobicContact CB-CD1 4.4Å; N327-I418 WeakPolarHBondContact ND2-CD1 3.29Å
328	A	93.7	Very high	89	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.9	169.5	0	0	0	0	0	110.5	L330 H335 T336 M339 I413 T414 L415	A328-L330 HydrophobicContact CB-CD1 4.48Å; A328-H335 WeakPolarHBondContact O-CA 3.32Å; A328-T336 HydrophobicContact CB-CG2 3.93Å; A328-T336 PolarHBondContact N-OG1 3.32Å; A328-T336 PolarHBondContact O-N 2.93Å; A328-T336 PolarHBondContact O-OG1 3.4Å; A328-M339 HydrophobicContact CB-CE 3.6Å; A328-M339 HydrophobicContact CB-SD 4.32Å; A328-I413 HydrophobicContact CB-CG2 4.24Å; A328-T414 WeakPolarHBondContact CA-O 3.3Å; A328-L415 HydrophobicContact CB-CD1 4.13Å
329	Y	91.8	Very high	89.7	Confident	46 Å²	46	32.7 Å²	32.7	18%	0.18	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.4	175.4	-55.7	-90.8	0	0	0	108.3	N327 H335 F382 T414 E416	N327-Y329 HydrophobicContact CB-CE2 4.08Å; Y329-H335 HydrophobicContact CD1-CB 3.78Å; Y329-H335 HydrophobicContact CE1-CB 4.12Å; Y329-F382 HydrophobicContact CG-CZ 4.46Å; Y329-T414 HydrophobicContact CD2-CG2 4.42Å; Y329-T414 PolarHBondContact N-O 3.11Å; Y329-T414 PolarHBondContact O-N 2.97Å; Y329-E416 HydrophobicContact CE2-CB 3.87Å; Y329-E416 PolarHBondContact OH-OE2 2.71Å
330	L	90.6	Very high	90.1	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	18%	0.179	C	C	.	.			trans	-99.2	165.3	177.3	-64.7	91.4	0	0	0	109.9	I267 A328 C334 T336 F357 L403 F411	I267-L330 HydrophobicContact CD1-CD2 4.47Å; A328-L330 HydrophobicContact CB-CD1 4.48Å; L330-C334 WeakPolarHBondContact CA-O 3.29Å; L330-C334 HydrophobicContact CB-CB 4.19Å; L330-C334 WeakPolarHBondContact CB-O 3.34Å; L330-C334 PolarHBondContact N-O 2.76Å; L330-T336 HydrophobicContact CD1-CG2 3.62Å; L330-F357 HydrophobicContact CD1-CE2 4.43Å; L330-F357 HydrophobicContact CD1-CZ 4.17Å; L330-L403 HydrophobicContact CB-CD1 3.82Å; L330-L403 HydrophobicContact CD2-CD1 4.12Å; L330-F411 HydrophobicContact CD2-CE2 4.41Å
331	P	85.2	Confident	90.4	Very high	22 Å²	22	33.2 Å²	33.2	14%	0.143	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-53.9	150	174.5	-26.5	34.8	0	0	0	113.1	F402 L403 T406 F411	P331-F402 HydrophobicContact CB-CD1 4.26Å; P331-F402 HydrophobicContact CB-CE1 3.97Å; P331-L403 HydrophobicContact CB-CD1 4.28Å; P331-L403 HydrophobicContact CG-CD1 4.4Å; P331-T406 HydrophobicContact CB-CG2 3.96Å; P331-T406 HydrophobicContact CG-CG2 3.93Å; P331-F411 HydrophobicContact CG-CB 4.09Å; P331-F411 HydrophobicContact CG-CD2 3.65Å; P331-F411 HydrophobicContact CG-CE2 4.46Å; P331-F411 HydrophobicContact CG-CG 4.2Å
332	G	80.1	Confident	90.5	Very high	19 Å²	19	33.1 Å²	33.1	20%	0.196	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	79.5	22.3	179.6	0	0	0	0	0	114.2	C334 A399 F402	G332-C334 PolarHBondContact O-N 2.94Å; G332-C334 VanDerWaalsContact O-N 3.15Å; G332-A399 WeakPolarHBondContact O-CB 3.39Å; G332-F402 VanDerWaalsContact N-CD1 3.29Å
333	E	79.1	Confident	90.4	Very high	138 Å²	138	32.7 Å²	32.7	65%	0.645	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	62.8	14.2	-175.8	-51.9	-174.8	169.2	0	0	114.3	H335 Q366	E333-H335 PolarHBondContact O-N 2.89Å; E333-Q366 PolarHBondContact OE2-NE2 3.12Å
334	C	85.2	Confident	90	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.			trans	-71.1	114.1	175.1	-71.4	0	0	0	0	110.1	L330 G332 F357 L403	L330-C334 WeakPolarHBondContact CA-O 3.29Å; L330-C334 HydrophobicContact CB-CB 4.19Å; L330-C334 WeakPolarHBondContact CB-O 3.34Å; L330-C334 PolarHBondContact N-O 2.76Å; G332-C334 PolarHBondContact O-N 2.94Å; G332-C334 VanDerWaalsContact O-N 3.15Å; C334-F357 HydrophobicContact CB-CD1 4.02Å; C334-F357 HydrophobicContact CB-CD2 4.49Å; C334-F357 HydrophobicContact CB-CE1 3.76Å; C334-F357 HydrophobicContact CB-CE2 4.26Å; C334-F357 HydrophobicContact CB-CG 4.39Å; C334-F357 HydrophobicContact CB-CZ 3.91Å; C334-L403 HydrophobicContact CB-CD2 4.15Å
335	H	87.4	Confident	89.4	Confident	26 Å²	26	32.5 Å²	32.5	12%	0.12	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-122.3	142	176.5	72.7	84.5	0	0	0	113.1	A328 Y329 E333 G337 F357 K365	A328-H335 WeakPolarHBondContact O-CA 3.32Å; Y329-H335 HydrophobicContact CD1-CB 3.78Å; Y329-H335 HydrophobicContact CE1-CB 4.12Å; E333-H335 PolarHBondContact O-N 2.89Å; H335-G337 VanDerWaalsContact C-N 3.26Å; H335-G337 PolarHBondContact O-N 2.78Å; H335-F357 VanDerWaalsContact O-CE1 3.3Å; H335-F357 WeakPolarHBondContact O-CE1 3.48Å; H335-K365 WeakPolarHBondContact NE2-CB 3.18Å; H335-K365 PolarHBondContact O-NZ 3.08Å
336	T	88.7	Confident	88.8	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.037	18%	0.183	C	C	.	.			trans	-76.8	-16.3	-170	58.9	0	0	0	0	113.4	I295 A328 L330 M339 H353 F357	I295-T336 HydrophobicContact CD1-CG2 3.35Å; A328-T336 HydrophobicContact CB-CG2 3.93Å; A328-T336 PolarHBondContact N-OG1 3.32Å; A328-T336 PolarHBondContact O-N 2.93Å; A328-T336 PolarHBondContact O-OG1 3.4Å; L330-T336 HydrophobicContact CD1-CG2 3.62Å; T336-M339 HydrophobicContact CG2-SD 4.09Å; T336-M339 WeakPolarHBondContact OG1-CG 3.47Å; T336-M339 PolarHBondContact OG1-SD 2.96Å; T336-H353 PolarHBondContact O-NE2 3.29Å; T336-F357 HydrophobicContact CG2-CZ 4.27Å
337	G	87.3	Confident	88.2	Confident	20 Å²	20	34.7 Å²	34.7	21%	0.206	18%	0.183	C	C	.	.			trans	71	-170.2	-165.8	0	0	0	0	0	111.3	N327 H335 M339	N327-G337 PolarHBondContact OD1-O 2.8Å; N327-G337 VanDerWaalsContact OD1-O 3.06Å; H335-G337 VanDerWaalsContact C-N 3.26Å; H335-G337 PolarHBondContact O-N 2.78Å; G337-M339 WeakPolarHBondContact O-CG 3.42Å; G337-M339 PolarHBondContact O-N 2.74Å
338	L	92.5	Very high	87.7	Confident	79 Å²	79	39.7 Å²	39.7	41%	0.414	20%	0.2	S	C	.	.			trans	-68.3	104.1	-175.1	-171.4	65.6	0	0	0	111.5	L325 N327 I418	L325-L338 HydrophobicContact CB-CD1 4.02Å; L325-L338 HydrophobicContact CD2-CG 4.5Å; N327-L338 WeakPolarHBondContact OD1-CA 3.44Å; N327-L338 PolarHBondContact OD1-N 3.42Å; L338-I418 HydrophobicContact CD1-CD1 3.44Å; L338-I418 VanDerWaalsContact CD1-CD1 3.44Å
339	M	93.6	Very high	87.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.1	174.2	-48.9	-168.9	-69	0	0	109.4	I295 L325 C326 A328 T336 G337 F341 H353 L415	I295-M339 HydrophobicContact CB-SD 4.26Å; I295-M339 HydrophobicContact CD1-SD 3.92Å; I295-M339 HydrophobicContact CG2-SD 4.1Å; L325-M339 WeakPolarHBondContact CA-O 3.28Å; C326-M339 PolarHBondContact N-O 3.41Å; C326-M339 VanDerWaalsContact N-O 3.11Å; C326-M339 WeakPolarHBondContact O-CA 3.29Å; C326-M339 VanDerWaalsContact O-CB 3.27Å; C326-M339 WeakPolarHBondContact O-CB 3.48Å; C326-M339 PolarHBondContact O-N 2.79Å; A328-M339 HydrophobicContact CB-CE 3.6Å; A328-M339 HydrophobicContact CB-SD 4.32Å; T336-M339 HydrophobicContact CG2-SD 4.09Å; T336-M339 WeakPolarHBondContact OG1-CG 3.47Å; T336-M339 PolarHBondContact OG1-SD 2.96Å; G337-M339 WeakPolarHBondContact O-CG 3.42Å; G337-M339 PolarHBondContact O-N 2.74Å; M339-F341 HydrophobicContact CB-CD2 4.4Å; M339-F341 HydrophobicContact CB-CE2 3.64Å; M339-F341 HydrophobicContact CB-CZ 4.06Å; M339-F341 HydrophobicContact CE-CE2 4.18Å; M339-F341 HydrophobicContact SD-CE2 4.38Å; M339-F341 HydrophobicContact SD-CZ 4.31Å; M339-H353 HydrophobicContact CB-CB 4.22Å; M339-H353 HydrophobicContact CG-CB 4.29Å; M339-H353 HydrophobicContact SD-CB 4.33Å; M339-L415 HydrophobicContact CE-CD1 3.87Å
340	K	93.9	Very high	87	Confident	142 Å²	142	42.8 Å²	42.8	62%	0.617	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.9	179.7	-47.5	-161	174.1	175.6	0	110.1	L325	L325-K340 HydrophobicContact CD2-CB 3.8Å; L325-K340 HydrophobicContact CD2-CD 3.63Å; L325-K340 HydrophobicContact CD2-CG 3.37Å
341	F	93.7	Very high	86.8	Confident	2 Å²	2	50 Å²	50	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.2	177.8	-60.4	-73.9	0	0	0	110.6	I295 L297 R323 L324 M339 I343 P349 H353	I295-F341 HydrophobicContact CG2-CZ 4.41Å; I295-F341 WeakPolarHBondContact O-CE1 3.34Å; L297-F341 HydrophobicContact CB-CD2 4.2Å; L297-F341 HydrophobicContact CB-CE2 4.17Å; L297-F341 HydrophobicContact CB-CG 4.43Å; L297-F341 HydrophobicContact CB-CZ 4.38Å; R323-F341 WeakPolarHBondContact CA-O 3.31Å; L324-F341 PolarHBondContact N-O 3.5Å; L324-F341 PolarHBondContact O-N 3.32Å; M339-F341 HydrophobicContact CB-CD2 4.4Å; M339-F341 HydrophobicContact CB-CE2 3.64Å; M339-F341 HydrophobicContact CB-CZ 4.06Å; M339-F341 HydrophobicContact CE-CE2 4.18Å; M339-F341 HydrophobicContact SD-CE2 4.38Å; M339-F341 HydrophobicContact SD-CZ 4.31Å; F341-I343 HydrophobicContact CB-CD1 3.72Å; F341-I343 HydrophobicContact CB-CG1 4.19Å; F341-P349 HydrophobicContact CD1-CB 4.01Å; F341-H353 HydrophobicContact CE1-CB 4.06Å; F341-H353 HydrophobicContact CZ-CB 3.93Å
342	L	91.5	Very high	87	Confident	51 Å²	51	49.7 Å²	49.7	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105	168	-177	65.9	0	0	0	107.2	W321 R323 P349 L350 L423	W321-L342 HydrophobicContact CB-CD1 4.26Å; W321-L342 HydrophobicContact CD2-CG 4.46Å; W321-L342 HydrophobicContact CE3-CD1 4Å; W321-L342 HydrophobicContact CE3-CD2 4.18Å; W321-L342 HydrophobicContact CE3-CG 3.59Å; W321-L342 HydrophobicContact CZ3-CD2 4.28Å; W321-L342 HydrophobicContact CZ3-CG 3.94Å; R323-L342 HydrophobicContact CB-CD1 4.19Å; R323-L342 HydrophobicContact CG-CD1 4.44Å; L342-P349 WeakPolarHBondContact O-CA 3.37Å; L342-L350 HydrophobicContact CD2-CD2 4.33Å; L342-L350 PolarHBondContact O-N 3.42Å; L342-L423 HydrophobicContact CD1-CD1 4.39Å
343	I	91	Very high	87.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.1	-170.6	-65.1	134.8	0	0	0	109	W263 K299 W321 T322 F341 G347 P349	W263-I343 HydrophobicContact CH2-CD1 3.81Å; W263-I343 HydrophobicContact CZ3-CD1 3.51Å; K299-I343 HydrophobicContact CB-CG2 4.48Å; W321-I343 CarbonylContact C-O 3.55Å; W321-I343 VanDerWaalsContact CA-O 3.3Å; W321-I343 WeakPolarHBondContact CA-O 3.43Å; W321-I343 VanDerWaalsContact CE3-C 3.44Å; T322-I343 PolarHBondContact N-O 2.85Å; T322-I343 PolarHBondContact O-N 2.92Å; F341-I343 HydrophobicContact CB-CD1 3.72Å; F341-I343 HydrophobicContact CB-CG1 4.19Å; I343-G347 VanDerWaalsContact CG2-C 3.47Å; I343-G347 WeakPolarHBondContact CG2-O 3.4Å; I343-P349 HydrophobicContact CG1-CB 3.93Å
344	G	85.2	Confident	88	Confident	6 Å²	6	47.2 Å²	47.2	6%	0.062	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-179.4	179.5	0	0	0	0	0	112.8	Q320 W321 Q346 G347 W348	Q320-G344 CarbonylContact O-C 3.52Å; W321-G344 VanDerWaalsContact CE3-CA 3.4Å; G344-Q346 PolarHBondContact O-N 3.13Å; G344-Q346 VanDerWaalsContact O-N 3.15Å; G344-G347 PolarHBondContact O-N 2.8Å; G344-W348 PolarHBondContact N-O 3.5Å
345	S	80.3	Confident	88.2	Confident	51 Å²	51	48 Å²	48	36%	0.357	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.8	-179.7	55.9	0	0	0	0	113.5	S301 Q320 G347	S301-S345 PolarHBondContact OG-O 3.34Å; Q320-S345 PolarHBondContact O-N 3.46Å; S345-G347 PolarHBondContact O-N 3.08Å
346	Q	82.2	Confident	88.1	Confident	79 Å²	79	49.6 Å²	49.6	37%	0.369	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7	174.3	69.4	-77	-12.6	0	0	114.5	G344 W348	G344-Q346 PolarHBondContact O-N 3.13Å; G344-Q346 VanDerWaalsContact O-N 3.15Å; Q346-W348 VanDerWaalsContact C-N 3.34Å; Q346-W348 HydrophobicContact CG-CB 4.05Å; Q346-W348 HydrophobicContact CG-CG 4.32Å; Q346-W348 PolarHBondContact NE2-O 3.08Å; Q346-W348 VanDerWaalsContact O-CD1 3.31Å; Q346-W348 PolarHBondContact O-N 2.95Å
347	G	84	Confident	87.9	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	84.7	-0.8	179.3	0	0	0	0	0	115.7	T298 K299 I343 G344 S345	T298-G347 WeakPolarHBondContact CA-O 3.34Å; K299-G347 PolarHBondContact N-O 2.74Å; K299-G347 VanDerWaalsContact O-CA 3.22Å; K299-G347 WeakPolarHBondContact O-CA 3.37Å; I343-G347 VanDerWaalsContact CG2-C 3.47Å; I343-G347 WeakPolarHBondContact CG2-O 3.4Å; G344-G347 PolarHBondContact O-N 2.8Å; S345-G347 PolarHBondContact O-N 3.08Å
348	W	84.5	Confident	87.5	Confident	135 Å²	135	49.2 Å²	49.2	51%	0.511	25%	0.25	S	S	.	.			trans	-99	140.6	178.9	-62.7	92.6	0	0	0	112.2	T298 G344 Q346	T298-W348 HydrophobicContact CG2-CD2 4.27Å; T298-W348 HydrophobicContact CG2-CE3 3.43Å; T298-W348 VanDerWaalsContact CG2-CE3 3.43Å; T298-W348 HydrophobicContact CG2-CH2 4.12Å; T298-W348 HydrophobicContact CG2-CZ3 3.36Å; G344-W348 PolarHBondContact N-O 3.5Å; Q346-W348 VanDerWaalsContact C-N 3.34Å; Q346-W348 HydrophobicContact CG-CB 4.05Å; Q346-W348 HydrophobicContact CG-CG 4.32Å; Q346-W348 PolarHBondContact NE2-O 3.08Å; Q346-W348 VanDerWaalsContact O-CD1 3.31Å; Q346-W348 PolarHBondContact O-N 2.95Å
349	P	88.2	Confident	86.3	Confident	20 Å²	20	47.8 Å²	47.8	13%	0.13	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-71.4	145.3	175.2	30.5	-33	0	0	0	110.9	C296 L297 F341 L342 I343 K351	C296-P349 HydrophobicContact CB-CG 4.33Å; L297-P349 WeakPolarHBondContact O-CD 2.97Å; F341-P349 HydrophobicContact CD1-CB 4.01Å; L342-P349 WeakPolarHBondContact O-CA 3.37Å; I343-P349 HydrophobicContact CG1-CB 3.93Å; P349-K351 PolarHBondContact O-N 2.89Å
350	L	83.1	Confident	84.7	Confident	90 Å²	90	53.5 Å²	53.5	47%	0.471	27%	0.268	S	S	.	.	S	Bend	trans	-62.4	-32.5	175.8	-175.2	67.2	0	0	0	112.2	L342 I851	L342-L350 HydrophobicContact CD2-CD2 4.33Å; L342-L350 PolarHBondContact O-N 3.42Å; L350-I851 HydrophobicContact CD1-CD1 4.43Å; L350-I851 HydrophobicContact CD1-CG1 4.22Å
351	K	87	Confident	83	Confident	162 Å²	162	48.9 Å²	48.9	70%	0.704	25%	0.252	S	S	*	.	S	Bend	trans	-148	138.5	179.7	-166.2	-168.1	169.2	-174.4	0	109.8	P349	P349-K351 PolarHBondContact O-N 2.89Å
352	A	87.7	Confident	81.1	Confident	15 Å²	15	49 Å²	49	12%	0.124	25%	0.253	C	S	.	.			trans	-68.5	153.6	167.7	0	0	0	0	0	111.7	E294 C296	E294-A352 HydrophobicContact CG-CB 3.54Å; E294-A352 WeakPolarHBondContact OE1-CB 3.38Å; C296-A352 WeakPolarHBondContact SG-CB 3.27Å
353	H	91.6	Very high	79.2	Confident	39 Å²	39	52.3 Å²	52.3	18%	0.181	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.5	169	-173.1	78.3	0	0	0	109	E294 I295 T336 M339 F341	E294-H353 CarbonylContact C-O 3.55Å; E294-H353 WeakPolarHBondContact CA-O 3.25Å; I295-H353 PolarHBondContact N-O 2.98Å; I295-H353 PolarHBondContact O-N 3.42Å; T336-H353 PolarHBondContact O-NE2 3.29Å; M339-H353 HydrophobicContact CB-CB 4.22Å; M339-H353 HydrophobicContact CG-CB 4.29Å; M339-H353 HydrophobicContact SD-CB 4.33Å; F341-H353 HydrophobicContact CE1-CB 4.06Å; F341-H353 HydrophobicContact CZ-CB 3.93Å
354	C	90.4	Very high	77.3	Confident	65 Å²	65	56.1 Å²	56.1	44%	0.439	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133	175.7	-53.4	0	0	0	0	108.8	V293	V293-C354 CarbonylContact O-C 3.59Å; V293-C354 WeakPolarHBondContact O-CA 3.31Å
355	C	88.4	Confident	75.7	Confident	17 Å²	17	58 Å²	58	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.2	172.6	60.5	0	0	0	0	110.2	V293	V293-C355 PolarHBondContact N-O 3.03Å; V293-C355 PolarHBondContact O-N 2.99Å
356	T	86.1	Confident	74.3	Confident	59 Å²	59	58.7 Å²	58.7	36%	0.362	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	178.6	62.2	0	0	0	0	108.3	D292	D292-T356 WeakPolarHBondContact OD1-CG2 3.49Å
357	F	83.8	Confident	72.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.4	171.9	-68.1	-62.1	0	0	0	109.3	C290 A291 V293 L330 C334 H335 T336 V400 L403	C290-F357 VanDerWaalsContact CA-O 3.32Å; C290-F357 WeakPolarHBondContact CA-O 3.24Å; A291-F357 PolarHBondContact N-O 2.87Å; A291-F357 PolarHBondContact O-N 2.88Å; V293-F357 HydrophobicContact CB-CD2 4.26Å; V293-F357 HydrophobicContact CB-CE2 4.01Å; V293-F357 HydrophobicContact CG1-CE2 4.4Å; V293-F357 HydrophobicContact CG2-CD2 3.51Å; V293-F357 HydrophobicContact CG2-CE2 3.62Å; L330-F357 HydrophobicContact CD1-CE2 4.43Å; L330-F357 HydrophobicContact CD1-CZ 4.17Å; C334-F357 HydrophobicContact CB-CD1 4.02Å; C334-F357 HydrophobicContact CB-CD2 4.49Å; C334-F357 HydrophobicContact CB-CE1 3.76Å; C334-F357 HydrophobicContact CB-CE2 4.26Å; C334-F357 HydrophobicContact CB-CG 4.39Å; C334-F357 HydrophobicContact CB-CZ 3.91Å; H335-F357 VanDerWaalsContact O-CE1 3.3Å; H335-F357 WeakPolarHBondContact O-CE1 3.48Å; T336-F357 HydrophobicContact CG2-CZ 4.27Å; F357-V400 HydrophobicContact CB-CG2 3.97Å; F357-L403 HydrophobicContact CD2-CD2 4.17Å; F357-L403 HydrophobicContact CE2-CD2 4.45Å
358	D	78.7	Confident	70.5	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.102	33%	0.334	C	S	.	.			trans	-145.5	144.6	-177.7	168.1	23.9	0	0	0	107.3	K277 Q360 T361 N362	K277-D358 IonicContact NZ-OD1 3.91Å; K277-D358 PolarHBondContact NZ-OD1 2.98Å; K277-D358 IonicContact NZ-OD2 3.5Å; K277-D358 PolarHBondContact NZ-OD2 3.32Å; D358-Q360 VanDerWaalsContact C-N 3.32Å; D358-Q360 PolarHBondContact O-N 3.03Å; D358-T361 HydrophobicContact CB-CG2 4.17Å; D358-T361 PolarHBondContact N-OG1 3.16Å; D358-T361 PolarHBondContact O-N 3.31Å; D358-T361 PolarHBondContact O-OG1 2.79Å; D358-N362 PolarHBondContact O-N 3.44Å
359	E	67.2	Low	68.7	Low	48 Å²	48	64.1 Å²	64.1	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-44.3	-166.7	-59.2	-164.2	175.2	0	0	112	T361 N362 E363 S398	E359-T361 PolarHBondContact O-N 3.48Å; E359-N362 PolarHBondContact O-N 3.48Å; E359-E363 PolarHBondContact O-N 3.03Å; E359-S398 WeakPolarHBondContact OE1-CB 3.41Å; E359-S398 PolarHBondContact OE1-OG 3.46Å
360	Q	60.4	Low	66.4	Low	121 Å²	121	70.5 Å²	70.5	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-35.4	177.4	-66.3	-174.1	-4.2	0	0	113	D358 N362 E363 V364	D358-Q360 VanDerWaalsContact C-N 3.32Å; D358-Q360 PolarHBondContact O-N 3.03Å; Q360-N362 VanDerWaalsContact C-N 3.33Å; Q360-N362 PolarHBondContact O-N 3.04Å; Q360-E363 PolarHBondContact O-N 3.36Å; Q360-V364 PolarHBondContact O-N 3.44Å
361	T	57	Low	64.1	Low	44 Å²	44	73.9 Å²	73.9	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-69.4	-32.6	-179	64.4	0	0	0	0	112.2	D358 E359 K365	D358-T361 HydrophobicContact CB-CG2 4.17Å; D358-T361 PolarHBondContact N-OG1 3.16Å; D358-T361 PolarHBondContact O-N 3.31Å; D358-T361 PolarHBondContact O-OG1 2.79Å; E359-T361 PolarHBondContact O-N 3.48Å; T361-K365 WeakPolarHBondContact O-CB 3.06Å; T361-K365 WeakPolarHBondContact O-CD 3.17Å; T361-K365 WeakPolarHBondContact O-CG 3.43Å; T361-K365 PolarHBondContact O-N 2.74Å
362	N	54.9	Low	61.5	Low	6 Å²	6	67.7 Å²	67.7	3%	0.032	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-39.6	175.2	-84	-16.6	0	0	0	111.2	D358 E359 Q360 K365 Q366	D358-N362 PolarHBondContact O-N 3.44Å; E359-N362 PolarHBondContact O-N 3.48Å; Q360-N362 VanDerWaalsContact C-N 3.33Å; Q360-N362 PolarHBondContact O-N 3.04Å; N362-K365 PolarHBondContact O-N 3.45Å; N362-Q366 WeakPolarHBondContact O-CB 3.25Å; N362-Q366 WeakPolarHBondContact O-CG 3.24Å; N362-Q366 PolarHBondContact O-N 2.81Å
363	E	51.1	Low	59	Low	120 Å²	120	72.6 Å²	72.6	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-62.7	-44.2	175.8	-67.8	-168.1	161.2	0	0	112.8	E359 Q360 Q366 Q367	E359-E363 PolarHBondContact O-N 3.03Å; Q360-E363 PolarHBondContact O-N 3.36Å; E363-Q366 WeakPolarHBondContact O-CB 3.36Å; E363-Q366 PolarHBondContact O-N 3.46Å; E363-Q367 WeakPolarHBondContact O-CG 3.49Å; E363-Q367 PolarHBondContact O-N 3.23Å
364	V	51.5	Low	56.1	Low	81 Å²	81	80.4 Å²	80.4	49%	0.491	40%	0.402	S	S	.	.	H	α-helix	trans	-65.9	-42.3	178.3	175.9	0	0	0	0	111.1	Q360 Q366 Q367 Q368	Q360-V364 PolarHBondContact O-N 3.44Å; V364-Q366 VanDerWaalsContact C-N 3.35Å; V364-Q367 PolarHBondContact O-N 3.01Å; V364-Q368 PolarHBondContact O-N 2.82Å; V364-Q368 VanDerWaalsContact O-N 3.15Å
365	K	51.9	Low	53.3	Low	46 Å²	46	82 Å²	82	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-67	-35.4	177.1	-71.6	170.9	171.2	179.7	0	112.1	H335 T361 N362 Q367 Q368 L369	H335-K365 WeakPolarHBondContact NE2-CB 3.18Å; H335-K365 PolarHBondContact O-NZ 3.08Å; T361-K365 WeakPolarHBondContact O-CB 3.06Å; T361-K365 WeakPolarHBondContact O-CD 3.17Å; T361-K365 WeakPolarHBondContact O-CG 3.43Å; T361-K365 PolarHBondContact O-N 2.74Å; N362-K365 PolarHBondContact O-N 3.45Å; K365-Q367 PolarHBondContact O-N 2.97Å; K365-Q368 PolarHBondContact O-N 2.84Å; K365-L369 PolarHBondContact O-N 3.1Å; K365-L369 VanDerWaalsContact O-N 3.15Å
366	Q	49.6	Very low	50.5	Low	65 Å²	65	89.2 Å²	89.2	30%	0.304	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-39.5	171.8	-78.8	174.2	-0	0	0	112.2	E333 N362 E363 V364 L369 K370	E333-Q366 PolarHBondContact OE2-NE2 3.12Å; N362-Q366 WeakPolarHBondContact O-CB 3.25Å; N362-Q366 WeakPolarHBondContact O-CG 3.24Å; N362-Q366 PolarHBondContact O-N 2.81Å; E363-Q366 WeakPolarHBondContact O-CB 3.36Å; E363-Q366 PolarHBondContact O-N 3.46Å; V364-Q366 VanDerWaalsContact C-N 3.35Å; Q366-L369 PolarHBondContact O-N 2.86Å; Q366-K370 PolarHBondContact O-N 3.07Å; Q366-K370 VanDerWaalsContact O-N 3.1Å
367	Q	43.5	Very low	47.7	Very low	126 Å²	126	93.5 Å²	93.5	59%	0.589	46%	0.457	S	S	*	.	H	α-helix	trans	-66.2	-36.7	175.9	-71.1	-178.9	18.9	0	0	112.5	E363 V364 K365 L369 K370 Q371	E363-Q367 WeakPolarHBondContact O-CG 3.49Å; E363-Q367 PolarHBondContact O-N 3.23Å; V364-Q367 PolarHBondContact O-N 3.01Å; K365-Q367 PolarHBondContact O-N 2.97Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; Q367-L369 PolarHBondContact O-N 3.3Å; Q367-K370 PolarHBondContact O-N 3.31Å; Q367-Q371 PolarHBondContact O-N 2.73Å; Q367-Q371 VanDerWaalsContact O-N 3.12Å
368	Q	44.2	Very low	45	Very low	135 Å²	135	99.6 Å²	99.6	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-35.9	174.7	-70.8	-177.3	2.1	0	0	112.2	V364 K365 Q371 G372	V364-Q368 PolarHBondContact O-N 2.82Å; V364-Q368 VanDerWaalsContact O-N 3.15Å; K365-Q368 PolarHBondContact O-N 2.84Å; Q368-Q371 PolarHBondContact O-N 3.32Å; Q368-G372 PolarHBondContact O-N 2.91Å
369	L	45.7	Very low	42.6	Very low	69 Å²	69	102.6 Å²	102.6	36%	0.361	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-46.9	171.5	-92.4	155.2	0	0	0	112	K365 Q366 Q367 Q371 G372 E373	K365-L369 PolarHBondContact O-N 3.1Å; K365-L369 VanDerWaalsContact O-N 3.15Å; Q366-L369 PolarHBondContact O-N 2.86Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; Q367-L369 PolarHBondContact O-N 3.3Å; L369-Q371 PolarHBondContact O-N 2.75Å; L369-G372 CarbonylContact O-C 3.52Å; L369-G372 WeakPolarHBondContact O-CA 3.34Å; L369-G372 PolarHBondContact O-N 2.76Å; L369-E373 WeakPolarHBondContact O-CG 3.33Å; L369-E373 PolarHBondContact O-N 2.79Å
370	K	40.8	Very low	40.6	Very low	153 Å²	153	106.9 Å²	106.9	67%	0.665	53%	0.529	S	S	*	.	H	α-helix	trans	-61.6	-29.4	178.1	-72.1	-175.8	-178.7	175.9	0	113.4	Q366 Q367	Q366-K370 PolarHBondContact O-N 3.07Å; Q366-K370 VanDerWaalsContact O-N 3.1Å; Q367-K370 PolarHBondContact O-N 3.31Å
371	Q	34	Very low	38.9	Very low	161 Å²	161	110.6 Å²	110.6	75%	0.752	54%	0.543	S	S	*	.	H	α-helix	trans	-78.8	-35.8	171.8	-73.5	-174.9	-2.8	0	0	112.4	Q367 Q368 L369	Q367-Q371 PolarHBondContact O-N 2.73Å; Q367-Q371 VanDerWaalsContact O-N 3.12Å; Q368-Q371 PolarHBondContact O-N 3.32Å; L369-Q371 PolarHBondContact O-N 2.75Å
372	G	32.9	Very low	37.4	Very low	33 Å²	33	114.4 Å²	114.4	34%	0.34	56%	0.556	S	S	.	*	H	α-helix	trans	-68.2	-30.2	175.5	0	0	0	0	0	114.4	Q368 L369 K374 S375	Q368-G372 PolarHBondContact O-N 2.91Å; L369-G372 CarbonylContact O-C 3.52Å; L369-G372 WeakPolarHBondContact O-CA 3.34Å; L369-G372 PolarHBondContact O-N 2.76Å; G372-K374 PolarHBondContact O-N 3.19Å; G372-S375 PolarHBondContact O-N 3.44Å; G372-S375 PolarHBondContact O-OG 2.98Å
373	E	34.5	Very low	35.9	Very low	117 Å²	117	119.2 Å²	119.2	55%	0.547	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-61.7	-23.8	-180	-83.7	-179.6	158.2	0	0	113.9	L369 S375	L369-E373 WeakPolarHBondContact O-CG 3.33Å; L369-E373 PolarHBondContact O-N 2.79Å; E373-S375 PolarHBondContact O-N 2.81Å
374	K	31.5	Very low	34.6	Very low	204 Å²	204	117 Å²	117	89%	0.887	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-68.3	-11.9	172.8	-77.2	-171.6	177.8	-179.3	0	113.7	G372	G372-K374 PolarHBondContact O-N 3.19Å
375	S	32.2	Very low	33.4	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-113	-4.9	-179.4	64.5	0	0	0	0	114.8	G372 E373	G372-S375 PolarHBondContact O-N 3.44Å; G372-S375 PolarHBondContact O-OG 2.98Å; E373-S375 PolarHBondContact O-N 2.81Å
376	R	28.3	Very low	32.1	Very low	170 Å²	170	125.1 Å²	125.1	64%	0.642	63%	0.632	S	S	*	*	S	Bend	trans	-135	102.9	176.5	-73.6	-174.8	174.5	-176.6	-3.3	110.7	N378	R376-N378 PolarHBondContact O-N 2.91Å
377	I	27.5	Very low	30.9	Very low	148 Å²	148	132 Å²	132	76%	0.759	66%	0.656	S	S	*	*			trans	-55.1	125.3	179.5	-65	164.3	0	0	0	110.4
378	N	27.4	Very low	30	Very low	128 Å²	128	132.5 Å²	132.5	68%	0.684	66%	0.662	S	S	*	*			trans	51.9	64.8	158.8	-58.7	-21.3	0	0	0	117.1	R376 L380	R376-N378 PolarHBondContact O-N 2.91Å; N378-L380 PolarHBondContact O-N 3.16Å
379	I	28.6	Very low	29.2	Very low	83 Å²	83	134.3 Å²	134.3	43%	0.426	67%	0.671	S	S	.	*			trans	-66.8	121.8	153.2	-61.9	173.5	0	0	0	106.4	K381 F382	I379-K381 PolarHBondContact O-N 2.88Å; I379-K381 VanDerWaalsContact O-N 3.08Å; I379-F382 HydrophobicContact CG2-CE2 4.4Å
380	L	25.6	Very low	28.2	Very low	138 Å²	138	141.6 Å²	141.6	72%	0.723	70%	0.699	S	S	*	*			trans	-37.4	118.6	171	-76.7	153.3	0	0	0	109.1	N378 F382	N378-L380 PolarHBondContact O-N 3.16Å; L380-F382 PolarHBondContact O-N 2.84Å
381	K	23.6	Very low	27.5	Very low	198 Å²	198	137.2 Å²	137.2	86%	0.861	70%	0.698	S	S	*	*			trans	-41	113.3	162.7	-95.1	177.4	171.8	178	0	106.2	I379 S383	I379-K381 PolarHBondContact O-N 2.88Å; I379-K381 VanDerWaalsContact O-N 3.08Å; K381-S383 PolarHBondContact O-N 3.06Å
382	F	26.3	Very low	27.1	Very low	125 Å²	125	137 Å²	137	55%	0.548	70%	0.697	S	S	.	*			trans	-56.8	102.3	167.8	-80.2	-89.7	0	0	0	105	Y329 I379 L380 S384	Y329-F382 HydrophobicContact CG-CZ 4.46Å; I379-F382 HydrophobicContact CG2-CE2 4.4Å; L380-F382 PolarHBondContact O-N 2.84Å; F382-S384 PolarHBondContact O-N 3.31Å
383	S	23.8	Very low	26.8	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	73%	0.726	S	S	*	*			trans	-60.4	98.5	159.5	17.5	0	0	0	0	103.8	K381 C385	K381-S383 PolarHBondContact O-N 3.06Å; S383-C385 PolarHBondContact O-N 2.89Å
384	S	24.3	Very low	26.5	Very low	72 Å²	72	144.2 Å²	144.2	50%	0.503	73%	0.733	S	S	.	*			trans	-27.7	127.8	150.5	50.6	0	0	0	0	108	F382 E386	F382-S384 PolarHBondContact O-N 3.31Å; S384-E386 PolarHBondContact O-N 2.91Å
385	C	24.9	Very low	26.8	Very low	106 Å²	106	139.7 Å²	139.7	72%	0.716	72%	0.723	S	S	*	*			trans	-34	132.3	171.5	-70.3	0	0	0	0	109.6	S383 Y387	S383-C385 PolarHBondContact O-N 2.89Å; C385-Y387 PolarHBondContact O-N 2.94Å
386	E	24.4	Very low	27.1	Very low	192 Å²	192	144.7 Å²	144.7	90%	0.897	74%	0.735	S	S	*	*	S	Bend	trans	-60.5	18.6	-175.9	-68.6	178.2	145.8	0	0	114.7	S384	S384-E386 PolarHBondContact O-N 2.91Å
387	Y	24.6	Very low	28.5	Very low	211 Å²	211	142.1 Å²	142.1	83%	0.827	73%	0.73	S	S	*	*			trans	-92.4	19.7	171.6	-73.9	-77.1	0	0	0	113.9	C385 E389	C385-Y387 PolarHBondContact O-N 2.94Å; Y387-E389 PolarHBondContact O-N 3.35Å
388	L	25.1	Very low	30.6	Very low	135 Å²	135	136.2 Å²	136.2	71%	0.707	70%	0.702	S	S	*	*			trans	-87.7	69.5	163.2	-87.6	158.2	0	0	0	109	K390	L388-K390 PolarHBondContact O-N 2.94Å
389	E	26.8	Very low	32.9	Very low	173 Å²	173	131.2 Å²	131.2	81%	0.808	68%	0.678	S	S	*	*			trans	-58.2	134.2	160.5	-74.9	-172.2	158.2	0	0	108.6	Y387 G391	Y387-E389 PolarHBondContact O-N 3.35Å; E389-G391 PolarHBondContact O-N 3.34Å
390	K	25.3	Very low	35.3	Very low	222 Å²	222	127.2 Å²	127.2	97%	0.965	66%	0.658	S	S	*	*	S	Bend	trans	-42.1	90.1	177.7	-66.2	167.9	176.1	174.6	0	111.8	L388	L388-K390 PolarHBondContact O-N 2.94Å
391	G	25.2	Very low	37.6	Very low	61 Å²	61	122.1 Å²	122.1	63%	0.629	64%	0.636	S	S	*	*			trans	-146.9	123.8	178.6	0	0	0	0	0	108.7	E389	E389-G391 PolarHBondContact O-N 3.34Å
392	E	26.7	Very low	40.3	Very low	157 Å²	157	116.9 Å²	116.9	73%	0.734	61%	0.613	S	S	*	*			trans	-18.7	134.3	174.9	-63.9	166.1	157.1	0	0	115.7	R394	E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.83Å
393	A	27.2	Very low	42.9	Very low	115 Å²	115	111 Å²	111	95%	0.95	59%	0.587	S	S	*	*			trans	-54	86.5	175.6	0	0	0	0	0	111.8	T395	A393-T395 PolarHBondContact O-N 2.73Å
394	R	27.8	Very low	45.4	Very low	186 Å²	186	105.9 Å²	105.9	70%	0.702	55%	0.551	S	S	*	*			trans	-88	109.8	177.5	-76	-177.3	-178.5	-173.2	1.3	109.4	E392	E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.83Å
395	T	36.9	Very low	47.8	Very low	109 Å²	109	104.6 Å²	104.6	67%	0.669	54%	0.542	S	S	*	.			trans	39.4	102.8	139.5	57.9	0	0	0	0	115.9	A393 Q397	A393-T395 PolarHBondContact O-N 2.73Å; T395-Q397 VanDerWaalsContact C-N 3.3Å; T395-Q397 WeakPolarHBondContact O-CG 3.44Å; T395-Q397 PolarHBondContact O-N 3.17Å
396	H	39.7	Very low	50.2	Low	202 Å²	202	101.2 Å²	101.2	94%	0.935	52%	0.519	S	S	*	.			trans	6.2	72.9	155.6	-63	-85.7	0	0	0	114.6	S398	H396-S398 PolarHBondContact O-N 2.78Å
397	Q	57	Low	52.5	Low	117 Å²	117	92 Å²	92	55%	0.547	48%	0.476	S	S	.	.			trans	-76.6	114.9	175	-69.5	-173.9	-8.9	0	0	105.6	T395 A399	T395-Q397 VanDerWaalsContact C-N 3.3Å; T395-Q397 WeakPolarHBondContact O-CG 3.44Å; T395-Q397 PolarHBondContact O-N 3.17Å; Q397-A399 PolarHBondContact O-N 3.09Å
398	S	70.4	Confident	54.5	Low	23 Å²	23	83.8 Å²	83.8	16%	0.161	45%	0.449	C	S	.	.			trans	-45.8	125.1	176.8	168.4	0	0	0	0	110.3	E359 H396 V400 A401 F402	E359-S398 WeakPolarHBondContact OE1-CB 3.41Å; E359-S398 PolarHBondContact OE1-OG 3.46Å; H396-S398 PolarHBondContact O-N 2.78Å; S398-V400 PolarHBondContact O-N 2.78Å; S398-A401 WeakPolarHBondContact O-CB 3.45Å; S398-A401 PolarHBondContact O-N 3.15Å; S398-A401 PolarHBondContact OG-N 2.93Å; S398-F402 PolarHBondContact O-N 2.73Å
399	A	76.2	Confident	56.7	Low	23 Å²	23	80.4 Å²	80.4	19%	0.19	44%	0.436	C	S	.	.	H	α-helix	trans	-52.9	-39.6	178.1	0	0	0	0	0	111.8	G332 Q397 F402 L403	G332-A399 WeakPolarHBondContact O-CB 3.39Å; Q397-A399 PolarHBondContact O-N 3.09Å; A399-F402 PolarHBondContact O-N 3.39Å; A399-L403 PolarHBondContact O-N 2.98Å
400	V	78.3	Confident	59.3	Low	0 Å²	0	78.5 Å²	78.5	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-71.4	-42.6	178.4	-172.1	0	0	0	0	110.7	V289 A291 F357 S398 F402 L403 L404	V289-V400 HydrophobicContact CG1-CG1 4.38Å; V289-V400 WeakPolarHBondContact O-CG1 3.44Å; A291-V400 HydrophobicContact CB-CG1 4.03Å; F357-V400 HydrophobicContact CB-CG2 3.97Å; S398-V400 PolarHBondContact O-N 2.78Å; V400-F402 VanDerWaalsContact C-N 3.29Å; V400-F402 PolarHBondContact O-N 3.45Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.45Å; V400-L404 HydrophobicContact CG1-CD1 4.17Å; V400-L404 HydrophobicContact CG1-CG 4.44Å; V400-L404 WeakPolarHBondContact O-CB 3.36Å; V400-L404 WeakPolarHBondContact O-CG 3.47Å; V400-L404 PolarHBondContact O-N 2.77Å
401	A	75.8	Confident	62.2	Low	30 Å²	30	68.4 Å²	68.4	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-39.3	174.7	0	0	0	0	0	111.7	S398 L404 S405	S398-A401 WeakPolarHBondContact O-CB 3.45Å; S398-A401 PolarHBondContact O-N 3.15Å; S398-A401 PolarHBondContact OG-N 2.93Å; A401-L404 PolarHBondContact O-N 2.71Å; A401-S405 WeakPolarHBondContact O-CB 3.3Å; A401-S405 PolarHBondContact O-N 3.13Å; A401-S405 PolarHBondContact O-OG 2.96Å
402	F	78.7	Confident	65.2	Low	89 Å²	89	68.4 Å²	68.4	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-47.5	174.5	-176.1	-88.2	0	0	0	111.6	P331 G332 S398 A399 V400 L404 S405 T406	P331-F402 HydrophobicContact CB-CD1 4.26Å; P331-F402 HydrophobicContact CB-CE1 3.97Å; G332-F402 VanDerWaalsContact N-CD1 3.29Å; S398-F402 PolarHBondContact O-N 2.73Å; A399-F402 PolarHBondContact O-N 3.39Å; V400-F402 VanDerWaalsContact C-N 3.29Å; V400-F402 PolarHBondContact O-N 3.45Å; F402-L404 VanDerWaalsContact C-N 3.35Å; F402-L404 PolarHBondContact O-N 2.79Å; F402-S405 PolarHBondContact O-N 2.89Å; F402-S405 PolarHBondContact O-OG 3.49Å; F402-T406 WeakPolarHBondContact CE1-OG1 3.28Å; F402-T406 WeakPolarHBondContact O-CB 3.42Å; F402-T406 PolarHBondContact O-N 3.31Å; F402-T406 PolarHBondContact O-OG1 3.46Å
403	L	81.3	Confident	68.2	Low	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-51.9	-55.7	173.8	174.9	65.6	0	0	0	110.1	L330 P331 C334 F357 A399 V400 S405 T406 V407	L330-L403 HydrophobicContact CB-CD1 3.82Å; L330-L403 HydrophobicContact CD2-CD1 4.12Å; P331-L403 HydrophobicContact CB-CD1 4.28Å; P331-L403 HydrophobicContact CG-CD1 4.4Å; C334-L403 HydrophobicContact CB-CD2 4.15Å; F357-L403 HydrophobicContact CD2-CD2 4.17Å; F357-L403 HydrophobicContact CE2-CD2 4.45Å; A399-L403 PolarHBondContact O-N 2.98Å; V400-L403 WeakPolarHBondContact O-CB 3.37Å; V400-L403 PolarHBondContact O-N 3.45Å; L403-S405 VanDerWaalsContact C-N 3.34Å; L403-S405 PolarHBondContact O-N 3.15Å; L403-T406 WeakPolarHBondContact O-CB 3.42Å; L403-T406 PolarHBondContact O-N 2.87Å; L403-V407 HydrophobicContact CD1-CG1 3.74Å; L403-V407 HydrophobicContact CG-CG1 4.22Å; L403-V407 WeakPolarHBondContact O-CG1 3.45Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 2.95Å
404	L	77.5	Confident	71.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-41.3	-177.9	-68.3	175.6	0	0	0	112.4	L235 F245 I269 P271 V289 A291 V400 A401 F402 T406 V407 S408	L235-L404 HydrophobicContact CD1-CB 3.26Å; L235-L404 HydrophobicContact CD1-CD1 4.04Å; L235-L404 HydrophobicContact CD1-CG 4.31Å; F245-L404 HydrophobicContact CD1-CD2 4.35Å; F245-L404 HydrophobicContact CE1-CB 3.96Å; F245-L404 HydrophobicContact CE1-CD2 4.25Å; F245-L404 VanDerWaalsContact CE1-O 3.24Å; F245-L404 WeakPolarHBondContact CE1-O 3.33Å; F245-L404 HydrophobicContact CZ-CB 3.98Å; F245-L404 WeakPolarHBondContact CZ-O 3.46Å; I269-L404 HydrophobicContact CG2-CD2 4.05Å; P271-L404 HydrophobicContact CB-CD1 3.96Å; P271-L404 HydrophobicContact CB-CD2 3.89Å; P271-L404 HydrophobicContact CG-CD2 4.44Å; V289-L404 HydrophobicContact CG1-CD1 3.41Å; V289-L404 VanDerWaalsContact CG1-CD1 3.41Å; A291-L404 HydrophobicContact CB-CD2 4.49Å; V400-L404 HydrophobicContact CG1-CD1 4.17Å; V400-L404 HydrophobicContact CG1-CG 4.44Å; V400-L404 WeakPolarHBondContact O-CB 3.36Å; V400-L404 WeakPolarHBondContact O-CG 3.47Å; V400-L404 PolarHBondContact O-N 2.77Å; A401-L404 PolarHBondContact O-N 2.71Å; F402-L404 VanDerWaalsContact C-N 3.35Å; F402-L404 PolarHBondContact O-N 2.79Å; L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 2.74Å; L404-V407 HydrophobicContact CD2-CG2 4.41Å; L404-V407 VanDerWaalsContact O-CG2 3.3Å; L404-V407 WeakPolarHBondContact O-CG2 3.38Å; L404-S408 PolarHBondContact O-OG 3.32Å
405	S	74.4	Confident	74.6	Confident	45 Å²	45	47.2 Å²	47.2	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-32.5	174.7	76.3	0	0	0	0	113.1	A401 F402 L403 S408	A401-S405 WeakPolarHBondContact O-CB 3.3Å; A401-S405 PolarHBondContact O-N 3.13Å; A401-S405 PolarHBondContact O-OG 2.96Å; F402-S405 PolarHBondContact O-N 2.89Å; F402-S405 PolarHBondContact O-OG 3.49Å; L403-S405 VanDerWaalsContact C-N 3.34Å; L403-S405 PolarHBondContact O-N 3.15Å; S405-S408 PolarHBondContact O-OG 3.27Å
406	T	74.8	Confident	77.4	Confident	35 Å²	35	42.6 Å²	42.6	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-80.9	-41.7	-178	-52.3	0	0	0	0	111.8	P331 F402 L403 L404 S408 S409 F411	P331-T406 HydrophobicContact CB-CG2 3.96Å; P331-T406 HydrophobicContact CG-CG2 3.93Å; F402-T406 WeakPolarHBondContact CE1-OG1 3.28Å; F402-T406 WeakPolarHBondContact O-CB 3.42Å; F402-T406 PolarHBondContact O-N 3.31Å; F402-T406 PolarHBondContact O-OG1 3.46Å; L403-T406 WeakPolarHBondContact O-CB 3.42Å; L403-T406 PolarHBondContact O-N 2.87Å; L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 2.74Å; T406-S408 PolarHBondContact O-N 3.29Å; T406-S408 VanDerWaalsContact O-N 3.08Å; T406-S409 PolarHBondContact O-N 3.15Å; T406-S409 VanDerWaalsContact O-N 3.14Å; T406-S409 PolarHBondContact O-OG 3.5Å; T406-F411 HydrophobicContact CG2-CB 3.99Å
407	V	71.9	Confident	80	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-2.7	-180	-58.2	0	0	0	0	113.3	F245 F251 I269 L403 L404 S409 F411	F245-V407 HydrophobicContact CE1-CG2 4.37Å; F251-V407 HydrophobicContact CE1-CB 4.33Å; F251-V407 WeakPolarHBondContact CE1-O 3.42Å; F251-V407 HydrophobicContact CE2-CB 4.07Å; F251-V407 HydrophobicContact CZ-CB 3.6Å; F251-V407 HydrophobicContact CZ-CG1 4.42Å; F251-V407 HydrophobicContact CZ-CG2 4.31Å; F251-V407 WeakPolarHBondContact CZ-O 3.24Å; I269-V407 HydrophobicContact CD1-CG1 3.97Å; L403-V407 HydrophobicContact CD1-CG1 3.74Å; L403-V407 HydrophobicContact CG-CG1 4.22Å; L403-V407 WeakPolarHBondContact O-CG1 3.45Å; L403-V407 WeakPolarHBondContact O-CG2 3.43Å; L403-V407 PolarHBondContact O-N 2.95Å; L404-V407 HydrophobicContact CD2-CG2 4.41Å; L404-V407 VanDerWaalsContact O-CG2 3.3Å; L404-V407 WeakPolarHBondContact O-CG2 3.38Å; V407-S409 PolarHBondContact O-N 3.05Å; V407-S409 VanDerWaalsContact O-N 3.09Å; V407-F411 HydrophobicContact CB-CD1 4.2Å; V407-F411 HydrophobicContact CB-CE1 4.09Å; V407-F411 HydrophobicContact CG1-CD1 3.81Å; V407-F411 HydrophobicContact CG1-CE1 3.6Å; V407-F411 HydrophobicContact CG1-CE2 4.32Å; V407-F411 HydrophobicContact CG1-CG 4.28Å; V407-F411 HydrophobicContact CG1-CZ 3.87Å
408	S	68.4	Low	81.7	Confident	38 Å²	38	31.2 Å²	31.2	27%	0.266	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.4	165.9	-56	0	0	0	0	112.9	I243 L404 S405 T406	I243-S408 VanDerWaalsContact CD1-OG 3.31Å; I243-S408 WeakPolarHBondContact CD1-OG 3.08Å; L404-S408 PolarHBondContact O-OG 3.32Å; S405-S408 PolarHBondContact O-OG 3.27Å; T406-S408 PolarHBondContact O-N 3.29Å; T406-S408 VanDerWaalsContact O-N 3.08Å
409	S	71.3	Confident	82.7	Confident	63 Å²	63	34.3 Å²	34.3	44%	0.441	19%	0.192	S	C	.	.	S	Bend	trans	-147	-177.4	178.8	69.1	0	0	0	0	111.1	T406 V407 F411	T406-S409 PolarHBondContact O-N 3.15Å; T406-S409 VanDerWaalsContact O-N 3.14Å; T406-S409 PolarHBondContact O-OG 3.5Å; V407-S409 PolarHBondContact O-N 3.05Å; V407-S409 VanDerWaalsContact O-N 3.09Å; S409-F411 PolarHBondContact O-N 3.08Å
410	K	80.2	Confident	83.5	Confident	134 Å²	134	33.9 Å²	33.9	58%	0.583	19%	0.186	S	C	*	.			trans	-60.2	130.3	173.8	-60.2	-176.9	175.1	-162	0	110.5	A208 N209	A208-K410 WeakPolarHBondContact O-CA 3.24Å; N209-K410 WeakPolarHBondContact OD1-CD 3.28Å; N209-K410 WeakPolarHBondContact OD1-CE 3.48Å; N209-K410 WeakPolarHBondContact OD1-CG 3.37Å; N209-K410 PolarHBondContact OD1-NZ 2.87Å
411	F	85.9	Confident	84.1	Confident	9 Å²	9	34.3 Å²	34.3	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.9	-179	71.2	-85.3	0	0	0	112.3	A208 F251 L330 P331 T406 V407 S409 I413	A208-F411 HydrophobicContact CB-CD1 4.19Å; A208-F411 HydrophobicContact CB-CE1 3.81Å; A208-F411 HydrophobicContact CB-CE2 4.26Å; A208-F411 HydrophobicContact CB-CZ 3.84Å; A208-F411 PolarHBondContact N-O 3.15Å; A208-F411 PolarHBondContact O-N 3.36Å; F251-F411 HydrophobicContact CD1-CD1 4.24Å; F251-F411 AromaticContact CD1-CE1 3.51Å; F251-F411 HydrophobicContact CD1-CE1 3.51Å; F251-F411 HydrophobicContact CD1-CZ 4.46Å; F251-F411 HydrophobicContact CD2-CE1 4.11Å; F251-F411 HydrophobicContact CD2-CZ 4.48Å; F251-F411 HydrophobicContact CE1-CD1 4.12Å; F251-F411 AromaticContact CE1-CE1 3.62Å; F251-F411 HydrophobicContact CE1-CE1 3.62Å; F251-F411 HydrophobicContact CE2-CE1 4.2Å; F251-F411 AromaticContact CG-CE1 3.78Å; F251-F411 HydrophobicContact CG-CE1 3.78Å; F251-F411 HydrophobicContact CG-CZ 4.32Å; F251-F411 AromaticContact CZ-CE1 3.99Å; F251-F411 HydrophobicContact CZ-CE1 3.99Å; L330-F411 HydrophobicContact CD2-CE2 4.41Å; P331-F411 HydrophobicContact CG-CB 4.09Å; P331-F411 HydrophobicContact CG-CD2 3.65Å; P331-F411 HydrophobicContact CG-CE2 4.46Å; P331-F411 HydrophobicContact CG-CG 4.2Å; T406-F411 HydrophobicContact CG2-CB 3.99Å; V407-F411 HydrophobicContact CB-CD1 4.2Å; V407-F411 HydrophobicContact CB-CE1 4.09Å; V407-F411 HydrophobicContact CG1-CD1 3.81Å; V407-F411 HydrophobicContact CG1-CE1 3.6Å; V407-F411 HydrophobicContact CG1-CE2 4.32Å; V407-F411 HydrophobicContact CG1-CG 4.28Å; V407-F411 HydrophobicContact CG1-CZ 3.87Å; S409-F411 PolarHBondContact O-N 3.08Å; F411-I413 HydrophobicContact CD2-CD1 4.38Å; F411-I413 HydrophobicContact CD2-CG1 3.89Å; F411-I413 HydrophobicContact CE2-CD1 3.62Å; F411-I413 HydrophobicContact CE2-CG1 3.34Å; F411-I413 HydrophobicContact CZ-CD1 3.97Å; F411-I413 HydrophobicContact CZ-CG1 4.19Å
412	C	88.1	Confident	84.9	Confident	61 Å²	61	34.6 Å²	34.6	41%	0.412	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.4	-179.8	-174	0	0	0	0	111.1	L206	L206-C412 CarbonylContact O-C 3.58Å; L206-C412 WeakPolarHBondContact O-CA 3.45Å
413	I	91.2	Very high	85.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.3	173.7	-62.5	146.5	0	0	0	107.8	K205 L206 A208 T253 L265 I267 A328 F411	K205-I413 CarbonylContact C-O 3.5Å; K205-I413 WeakPolarHBondContact CA-O 3.49Å; L206-I413 PolarHBondContact N-O 3.17Å; L206-I413 PolarHBondContact O-N 2.92Å; A208-I413 HydrophobicContact CB-CD1 3.41Å; A208-I413 VanDerWaalsContact CB-CD1 3.41Å; A208-I413 HydrophobicContact CB-CG1 4.47Å; T253-I413 HydrophobicContact CG2-CD1 4.1Å; L265-I413 HydrophobicContact CD2-CD1 4.39Å; L265-I413 HydrophobicContact CD2-CG2 4.32Å; I267-I413 HydrophobicContact CD1-CD1 3.36Å; I267-I413 HydrophobicContact CD1-CG1 4.2Å; A328-I413 HydrophobicContact CB-CG2 4.24Å; F411-I413 HydrophobicContact CD2-CD1 4.38Å; F411-I413 HydrophobicContact CD2-CG1 3.89Å; F411-I413 HydrophobicContact CE2-CD1 3.62Å; F411-I413 HydrophobicContact CE2-CG1 3.34Å; F411-I413 HydrophobicContact CZ-CD1 3.97Å; F411-I413 HydrophobicContact CZ-CG1 4.19Å
414	T	93.4	Very high	86	Confident	14 Å²	14	30.4 Å²	30.4	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.3	169.8	-55.3	0	0	0	0	109.2	C203 K205 A328 Y329	C203-T414 HydrophobicContact CB-CG2 4.44Å; K205-T414 WeakPolarHBondContact CD-OG1 3.45Å; K205-T414 HydrophobicContact CG-CG2 4.07Å; A328-T414 WeakPolarHBondContact CA-O 3.3Å; Y329-T414 HydrophobicContact CD2-CG2 4.42Å; Y329-T414 PolarHBondContact N-O 3.11Å; Y329-T414 PolarHBondContact O-N 2.97Å
415	L	94.7	Very high	86.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.1	174.8	-167.5	70.9	0	0	0	109.2	C203 I204 F256 C326 N327 A328 M339 M417	C203-L415 CarbonylContact C-O 3.56Å; C203-L415 WeakPolarHBondContact CA-O 3.38Å; I204-L415 HydrophobicContact CB-CB 4.48Å; I204-L415 PolarHBondContact N-O 3.31Å; I204-L415 PolarHBondContact O-N 3.06Å; F256-L415 HydrophobicContact CE2-CD2 4.37Å; F256-L415 HydrophobicContact CZ-CD2 3.89Å; C326-L415 HydrophobicContact CB-CD1 4.04Å; C326-L415 HydrophobicContact CB-CG 4.34Å; N327-L415 WeakPolarHBondContact O-CA 3.41Å; A328-L415 HydrophobicContact CB-CD1 4.13Å; M339-L415 HydrophobicContact CE-CD1 3.87Å; L415-M417 HydrophobicContact CD2-CE 4.5Å; L415-M417 HydrophobicContact CD2-SD 3.44Å; L415-M417 WeakPolarHBondContact CD2-SD 3.38Å; L415-M417 HydrophobicContact CG-SD 3.7Å
416	E	95.7	Very high	87.2	Confident	11 Å²	11	29.6 Å²	29.6	5%	0.051	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.2	173.8	174.3	-176.7	-148.2	0	0	108.7	H201 C326 N327 Y329 I418	H201-E416 IonicContact CD2-OE1 3.01Å; H201-E416 PolarHBondContact CD2-OE1 2.88Å; H201-E416 IonicContact CE1-OE1 3.62Å; H201-E416 IonicContact NE2-OE1 4Å; H201-E416 PolarHBondContact NE2-OE1 2.87Å; C326-E416 CarbonylContact C-O 3.54Å; C326-E416 WeakPolarHBondContact CA-O 3.03Å; C326-E416 WeakPolarHBondContact CB-O 3.43Å; N327-E416 HydrophobicContact CB-CB 4.26Å; N327-E416 PolarHBondContact N-O 2.75Å; N327-E416 PolarHBondContact ND2-OE2 2.89Å; N327-E416 VanDerWaalsContact ND2-OE2 3.08Å; N327-E416 PolarHBondContact O-N 3.46Å; Y329-E416 HydrophobicContact CE2-CB 3.87Å; Y329-E416 PolarHBondContact OH-OE2 2.71Å; E416-I418 HydrophobicContact CG-CG1 4.18Å
417	M	94.5	Very high	87.7	Confident	9 Å²	9	32.1 Å²	32.1	4%	0.044	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.6	-179.1	-51.8	-62.7	-83.3	0	0	108.8	V202 I204 Y258 L324 C326 L415	V202-M417 HydrophobicContact CB-CB 4.14Å; V202-M417 HydrophobicContact CG1-CB 4.38Å; V202-M417 HydrophobicContact CG1-CG 4.27Å; V202-M417 PolarHBondContact O-N 2.87Å; I204-M417 HydrophobicContact CD1-CG 3.99Å; I204-M417 HydrophobicContact CD1-SD 4.41Å; I204-M417 HydrophobicContact CG1-CG 4.4Å; Y258-M417 HydrophobicContact CD1-CE 3.38Å; Y258-M417 HydrophobicContact CD2-CE 3.99Å; Y258-M417 HydrophobicContact CD2-CG 4.18Å; Y258-M417 HydrophobicContact CE1-CE 3.34Å; Y258-M417 HydrophobicContact CE2-CB 3.91Å; Y258-M417 HydrophobicContact CE2-CE 3.95Å; Y258-M417 HydrophobicContact CE2-CG 3.81Å; Y258-M417 HydrophobicContact CG-CE 3.71Å; L324-M417 HydrophobicContact CD1-CE 3.49Å; L324-M417 VanDerWaalsContact CD1-CE 3.49Å; L324-M417 HydrophobicContact CD2-CE 3.87Å; L324-M417 HydrophobicContact CG-CE 4.25Å; C326-M417 HydrophobicContact CB-SD 3.99Å; L415-M417 HydrophobicContact CD2-CE 4.5Å; L415-M417 HydrophobicContact CD2-SD 3.44Å; L415-M417 WeakPolarHBondContact CD2-SD 3.38Å; L415-M417 HydrophobicContact CG-SD 3.7Å
418	I	93	Very high	88.2	Confident	72 Å²	72	32.2 Å²	32.2	37%	0.369	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-43.2	-170.8	-63.6	166.8	0	0	0	110.9	L325 N327 L338 E416	L325-I418 HydrophobicContact CB-CB 4.31Å; L325-I418 WeakPolarHBondContact O-CB 2.85Å; L325-I418 PolarHBondContact O-N 3.12Å; N327-I418 HydrophobicContact CB-CD1 4.4Å; N327-I418 WeakPolarHBondContact ND2-CD1 3.29Å; L338-I418 HydrophobicContact CD1-CD1 3.44Å; L338-I418 VanDerWaalsContact CD1-CD1 3.44Å; E416-I418 HydrophobicContact CG-CG1 4.18Å
419	F	91.2	Very high	88.5	Confident	88 Å²	88	32.9 Å²	32.9	39%	0.386	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.6	-176.6	-169.3	-108.2	0	0	0	110.7	L324 L325 E421	L324-F419 WeakPolarHBondContact CA-O 3.42Å; L324-F419 WeakPolarHBondContact CD1-O 3.48Å; L325-F419 HydrophobicContact CB-CB 3.82Å; L325-F419 HydrophobicContact CD1-CB 3.68Å; L325-F419 HydrophobicContact CD1-CD1 4.05Å; L325-F419 HydrophobicContact CD1-CG 4.15Å; L325-F419 HydrophobicContact CG-CB 3.95Å; L325-F419 HydrophobicContact CG-CD1 4.41Å; L325-F419 PolarHBondContact N-O 3.35Å; L325-F419 PolarHBondContact O-N 2.68Å; L325-F419 VanDerWaalsContact O-N 3.15Å; F419-E421 HydrophobicContact CD1-CG 4.47Å; F419-E421 HydrophobicContact CE1-CB 4Å; F419-E421 HydrophobicContact CE1-CG 3.81Å; F419-E421 HydrophobicContact CZ-CB 4.37Å
420	Y	92.6	Very high	88.4	Confident	14 Å²	14	30.7 Å²	30.7	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135	177.2	176.1	-89.6	0	0	0	108.7	E77 Y258 A259 D261 W263 T322 R323 L324 R422	E77-Y420 VanDerWaalsContact CD-CD1 3.42Å; E77-Y420 HydrophobicContact CG-CD1 3.61Å; E77-Y420 HydrophobicContact CG-CE1 4.33Å; E77-Y420 HydrophobicContact CG-CG 4Å; Y258-Y420 HydrophobicContact CD1-CD2 4.29Å; Y258-Y420 AromaticContact CE1-CD2 3.68Å; Y258-Y420 HydrophobicContact CE1-CD2 3.68Å; Y258-Y420 HydrophobicContact CE1-CE2 4.34Å; Y258-Y420 AromaticContact CE1-CG 3.98Å; Y258-Y420 HydrophobicContact CE1-CG 3.98Å; A259-Y420 HydrophobicContact CB-CD1 4.08Å; A259-Y420 HydrophobicContact CB-CD2 4.14Å; A259-Y420 HydrophobicContact CB-CE1 3.56Å; A259-Y420 HydrophobicContact CB-CE2 3.62Å; A259-Y420 HydrophobicContact CB-CG 4.33Å; D261-Y420 PolarHBondContact OD2-OH 2.82Å; W263-Y420 HydrophobicContact CZ2-CE2 4.06Å; T322-Y420 HydrophobicContact CG2-CD2 3.85Å; T322-Y420 HydrophobicContact CG2-CE2 3.3Å; R323-Y420 WeakPolarHBondContact O-CA 3.44Å; L324-Y420 HydrophobicContact CD1-CD2 3.86Å; Y420-R422 HydrophobicContact CE1-CG 3.58Å; Y420-R422 WeakPolarHBondContact OH-CG 3.4Å
421	E	91.2	Very high	87.5	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145	173.8	58.6	-178.5	154.5	0	0	111	T322 R323 F419 L423 Q650	T322-E421 WeakPolarHBondContact CA-O 3.36Å; R323-E421 HydrophobicContact CB-CG 3.52Å; R323-E421 VanDerWaalsContact CB-OE1 3.29Å; R323-E421 WeakPolarHBondContact CB-OE1 3.48Å; R323-E421 WeakPolarHBondContact CD-OE1 3.21Å; R323-E421 IonicContact CZ-OE1 3.39Å; R323-E421 PolarHBondContact N-O 3.28Å; R323-E421 IonicContact NE-OE1 3.73Å; R323-E421 PolarHBondContact NE-OE1 2.83Å; R323-E421 IonicContact NH1-OE1 3.66Å; R323-E421 PolarHBondContact NH1-OE1 3.2Å; R323-E421 IonicContact NH1-OE2 3.55Å; R323-E421 IonicContact NH2-OE1 2.79Å; R323-E421 PolarHBondContact O-N 3.44Å; F419-E421 HydrophobicContact CD1-CG 4.47Å; F419-E421 HydrophobicContact CE1-CB 4Å; F419-E421 HydrophobicContact CE1-CG 3.81Å; F419-E421 HydrophobicContact CZ-CB 4.37Å; E421-L423 HydrophobicContact CG-CD2 4.25Å; E421-L423 HydrophobicContact CG-CG 4.34Å; E421-Q650 HydrophobicContact CB-CG 4.24Å; E421-Q650 WeakPolarHBondContact OE2-CG 3.49Å; E421-Q650 PolarHBondContact OE2-NE2 3.05Å
422	R	92.4	Very high	85.9	Confident	36 Å²	36	33.3 Å²	33.3	14%	0.136	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.3	175	-68.7	-180	-94.4	-174	-7.2	109.1	E77 Y420 P447 F448 W651	E77-R422 IonicContact OE2-NH2 3.33Å; Y420-R422 HydrophobicContact CE1-CG 3.58Å; Y420-R422 WeakPolarHBondContact OH-CG 3.4Å; R422-P447 HydrophobicContact CB-CB 4.18Å; R422-P447 HydrophobicContact CB-CG 3.76Å; R422-P447 HydrophobicContact CG-CB 4.49Å; R422-F448 VanDerWaalsContact NH1-CZ 3.27Å; R422-W651 HydrophobicContact CB-CB 4.44Å; R422-W651 PolarHBondContact O-N 2.84Å
423	L	92.3	Very high	83.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.7	-173.6	-55.9	175.2	0	0	0	109.9	Q320 W321 R323 L342 E421 E648 I649 Q650	Q320-L423 CarbonylContact C-O 3.54Å; Q320-L423 WeakPolarHBondContact CA-O 3.24Å; W321-L423 HydrophobicContact CB-CB 4.05Å; W321-L423 HydrophobicContact CB-CD1 4.5Å; W321-L423 PolarHBondContact N-O 2.7Å; W321-L423 PolarHBondContact O-N 2.9Å; R323-L423 HydrophobicContact CB-CD1 4.24Å; L342-L423 HydrophobicContact CD1-CD1 4.39Å; E421-L423 HydrophobicContact CG-CD2 4.25Å; E421-L423 HydrophobicContact CG-CG 4.34Å; L423-E648 HydrophobicContact CD2-CG 4.14Å; L423-I649 CarbonylContact C-O 3.51Å; L423-I649 VanDerWaalsContact CA-O 3.24Å; L423-I649 WeakPolarHBondContact CA-O 3.32Å; L423-Q650 HydrophobicContact CD2-CB 3.74Å; L423-Q650 HydrophobicContact CD2-CG 3.85Å
424	T	90.8	Very high	81.7	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.2	162	-56.6	0	0	0	0	107.6	V426 M445 I649 W651	T424-V426 HydrophobicContact CG2-CG2 3.99Å; T424-M445 PolarHBondContact OG1-O 3.27Å; T424-I649 PolarHBondContact N-O 3.27Å; T424-I649 PolarHBondContact O-N 2.9Å; T424-W651 PolarHBondContact OG1-NE1 3.06Å
425	V	89.4	Confident	79.1	Confident	27 Å²	27	46.9 Å²	46.9	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	-179.7	-178.1	0	0	0	0	109.2	G318 T319 W321 T646 I647 E648	G318-V425 CarbonylContact C-O 3.08Å; G318-V425 VanDerWaalsContact CA-O 3.28Å; G318-V425 WeakPolarHBondContact CA-O 3.48Å; T319-V425 PolarHBondContact N-O 2.81Å; T319-V425 PolarHBondContact O-N 2.91Å; T319-V425 PolarHBondContact OG1-O 2.83Å; W321-V425 HydrophobicContact CG-CG2 4.41Å; V425-T646 HydrophobicContact CG1-CG2 3.46Å; V425-T646 VanDerWaalsContact CG1-CG2 3.46Å; V425-I647 WeakPolarHBondContact CA-O 3.41Å; V425-E648 HydrophobicContact CG2-CG 4.5Å
426	V	88.3	Confident	76.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.3	-172.7	-173.8	0	0	0	0	109.4	L317 T424 F428 I444 L454 T646 I647	L317-V426 HydrophobicContact CB-CG1 4.29Å; T424-V426 HydrophobicContact CG2-CG2 3.99Å; V426-F428 PolarHBondContact O-N 3.47Å; V426-I444 HydrophobicContact CG1-CG2 4.27Å; V426-I444 HydrophobicContact CG2-CG2 3.77Å; V426-L454 HydrophobicContact CB-CD2 4.17Å; V426-L454 HydrophobicContact CG1-CD2 4.15Å; V426-L454 HydrophobicContact CG2-CD2 4.19Å; V426-T646 CarbonylContact O-C 3.57Å; V426-T646 WeakPolarHBondContact O-CA 3.47Å; V426-I647 PolarHBondContact N-O 2.59Å; V426-I647 PolarHBondContact O-N 2.77Å
427	N	85	Confident	74.4	Confident	89 Å²	89	63.1 Å²	63.1	48%	0.476	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	96.1	167.7	-68.7	-37.4	0	0	0	108.1	P429 I645 T646	N427-P429 WeakPolarHBondContact O-CD 3.4Å; N427-I645 CarbonylContact C-O 3.6Å; N427-I645 WeakPolarHBondContact CA-O 3.36Å; N427-T646 PolarHBondContact OD1-OG1 2.89Å
428	F	82.8	Confident	72.2	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.009	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.9	-175.1	-165.4	-88.5	0	0	0	110.2	V426 D440 L454 L456 T644 I645 I647	V426-F428 PolarHBondContact O-N 3.47Å; F428-D440 HydrophobicContact CE1-CB 3.64Å; F428-D440 HydrophobicContact CZ-CB 3.69Å; F428-D440 WeakPolarHBondContact CZ-O 3.31Å; F428-L454 HydrophobicContact CD2-CD2 4.01Å; F428-L454 HydrophobicContact CD2-CG 4.31Å; F428-L454 HydrophobicContact CE2-CD2 4.47Å; F428-L454 HydrophobicContact CE2-CG 4.29Å; F428-L456 HydrophobicContact CD1-CB 4.46Å; F428-L456 HydrophobicContact CD1-CD2 4.46Å; F428-L456 HydrophobicContact CE1-CB 3.64Å; F428-L456 HydrophobicContact CE1-CD2 4.15Å; F428-L456 HydrophobicContact CZ-CB 3.83Å; F428-T644 CarbonylContact O-C 3.53Å; F428-T644 VanDerWaalsContact O-CA 3.26Å; F428-T644 WeakPolarHBondContact O-CA 3.4Å; F428-T644 WeakPolarHBondContact O-CB 3.47Å; F428-I645 PolarHBondContact N-O 2.84Å; F428-I645 PolarHBondContact O-N 2.91Å; F428-I647 HydrophobicContact CB-CD1 3.77Å; F428-I647 HydrophobicContact CB-CG1 4.23Å; F428-I647 HydrophobicContact CD2-CD1 4.15Å; F428-I647 HydrophobicContact CG-CD1 3.92Å
429	P	74.8	Confident	70.4	Confident	52 Å²	52	69.8 Å²	69.8	34%	0.338	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.5	176.9	29.7	-32.3	0	0	0	110.3	N427 T644	N427-P429 WeakPolarHBondContact O-CD 3.4Å; P429-T644 HydrophobicContact CB-CG2 4.09Å
430	I	69.1	Low	69.5	Low	17 Å²	17	66.1 Å²	66.1	9%	0.087	34%	0.341	C	S	.	.			trans	-97.1	112.5	169.1	-67.7	-178.4	0	0	0	107.5	N432 L456 L638 I645	I430-N432 PolarHBondContact O-N 3.28Å; I430-L456 HydrophobicContact CD1-CD2 4.23Å; I430-L456 HydrophobicContact CG1-CD2 4.29Å; I430-L638 HydrophobicContact CD1-CD2 4.07Å; I430-I645 HydrophobicContact CD1-CD1 3.19Å; I430-I645 HydrophobicContact CD1-CG1 3.6Å; I430-I645 HydrophobicContact CG1-CD1 4.32Å; I430-I645 HydrophobicContact CG1-CG1 4.31Å
431	N	61.8	Low	69	Low	88 Å²	88	67.4 Å²	67.4	47%	0.471	35%	0.352	S	S	.	.			trans	-77.3	113.1	170.3	-64.2	-43.7	0	0	0	108.2	L433 D440 R458	N431-L433 PolarHBondContact O-N 2.92Å; N431-L433 VanDerWaalsContact O-N 3.11Å; N431-D440 PolarHBondContact ND2-OD1 3.08Å; N431-R458 PolarHBondContact O-NH1 2.81Å; N431-R458 PolarHBondContact O-NH2 2.92Å
432	N	51.5	Low	68.6	Low	109 Å²	109	67.2 Å²	67.2	58%	0.583	35%	0.352	S	S	*	.			trans	-69.7	7.5	168.9	-84	-5.6	0	0	0	112.9	I430 D434	I430-N432 PolarHBondContact O-N 3.28Å; N432-D434 PolarHBondContact O-N 3.06Å
433	L	45.4	Very low	68.2	Low	124 Å²	124	65.7 Å²	65.7	65%	0.649	35%	0.347	S	S	*	.			trans	-72.5	115	177.4	-147.3	76.4	0	0	0	108.2	N431 N435	N431-L433 PolarHBondContact O-N 2.92Å; N431-L433 VanDerWaalsContact O-N 3.11Å; L433-N435 PolarHBondContact O-N 2.97Å
434	D	45.3	Very low	68	Low	140 Å²	140	65.7 Å²	65.7	75%	0.749	35%	0.346	S	S	*	.			trans	-59.6	17.2	-177.3	-67.3	-47.9	0	0	0	115.6	N432 F436	N432-D434 PolarHBondContact O-N 3.06Å; D434-F436 VanDerWaalsContact C-N 3.34Å; D434-F436 WeakPolarHBondContact O-CD2 3.44Å; D434-F436 PolarHBondContact O-N 2.8Å
435	N	40.5	Very low	67.7	Low	97 Å²	97	66.4 Å²	66.4	52%	0.519	35%	0.35	S	S	.	.			trans	-76.5	88.1	172.5	-78.5	-10.5	0	0	0	109.3	L433 N437 H438	L433-N435 PolarHBondContact O-N 2.97Å; N435-N437 PolarHBondContact O-N 2.72Å; N435-H438 PolarHBondContact O-N 3.25Å
436	F	43.8	Very low	67.4	Low	199 Å²	199	65.1 Å²	65.1	87%	0.873	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-6.3	173.9	-74.6	-84.4	0	0	0	115.9	D434	D434-F436 VanDerWaalsContact C-N 3.34Å; D434-F436 WeakPolarHBondContact O-CD2 3.44Å; D434-F436 PolarHBondContact O-N 2.8Å
437	N	46.9	Very low	67	Low	153 Å²	153	66.5 Å²	66.5	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.2	-176.2	-68.5	-15.5	0	0	0	114.8	N435	N435-N437 PolarHBondContact O-N 2.72Å
438	H	48.1	Very low	66.6	Low	141 Å²	141	64.7 Å²	64.7	65%	0.653	34%	0.339	S	S	*	.			trans	-95.2	107.3	172.1	-80.3	-61.5	0	0	0	110.1	N435 D440	N435-H438 PolarHBondContact O-N 3.25Å; H438-D440 PolarHBondContact O-N 2.97Å; H438-D440 VanDerWaalsContact O-N 3.1Å
439	V	56.4	Low	66.4	Low	80 Å²	80	66.8 Å²	66.8	49%	0.485	35%	0.354	S	S	.	.			trans	-63.6	108	159.2	175.8	0	0	0	0	106.1	S441 F455	V439-S441 PolarHBondContact O-N 2.67Å; V439-S441 VanDerWaalsContact O-N 3.15Å; V439-F455 HydrophobicContact CG1-CB 3.62Å; V439-F455 HydrophobicContact CG1-CD2 3.86Å; V439-F455 HydrophobicContact CG1-CG 4.09Å
440	D	71.7	Confident	66.7	Low	11 Å²	11	64.9 Å²	64.9	6%	0.059	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	124.5	171.9	-65.9	-56.4	0	0	0	106.6	F428 N431 H438 F455 L456 R458	F428-D440 HydrophobicContact CE1-CB 3.64Å; F428-D440 HydrophobicContact CZ-CB 3.69Å; F428-D440 WeakPolarHBondContact CZ-O 3.31Å; N431-D440 PolarHBondContact ND2-OD1 3.08Å; H438-D440 PolarHBondContact O-N 2.97Å; H438-D440 VanDerWaalsContact O-N 3.1Å; D440-F455 VanDerWaalsContact O-CA 3.28Å; D440-F455 WeakPolarHBondContact O-CA 3.35Å; D440-L456 PolarHBondContact O-N 3.37Å; D440-R458 IonicContact OD2-CZ 2.8Å; D440-R458 IonicContact OD2-NE 2.78Å; D440-R458 PolarHBondContact OD2-NE 2.99Å; D440-R458 IonicContact OD2-NH2 3.83Å; D440-R458 PolarHBondContact OD2-NH2 2.86Å
441	S	80.8	Confident	67.4	Low	41 Å²	41	64.1 Å²	64.1	29%	0.287	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	149	178.8	63.5	0	0	0	0	110.7	V439 R453 L454	V439-S441 PolarHBondContact O-N 2.67Å; V439-S441 VanDerWaalsContact O-N 3.15Å; S441-R453 PolarHBondContact OG-NE 2.77Å; S441-R453 PolarHBondContact OG-NH2 2.73Å; S441-L454 CarbonylContact C-O 3.55Å; S441-L454 WeakPolarHBondContact CA-O 3.45Å; S441-L454 WeakPolarHBondContact CB-O 3.42Å
442	C	83.6	Confident	68.5	Low	4 Å²	4	59.9 Å²	59.9	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.3	173.4	64.3	0	0	0	0	111.2	E314 L317 L454	E314-C442 VanDerWaalsContact OE1-CA 3.29Å; E314-C442 WeakPolarHBondContact OE1-CA 3.29Å; L317-C442 HydrophobicContact CD1-CB 3.89Å; C442-L454 PolarHBondContact N-O 3.27Å; C442-L454 PolarHBondContact O-N 3.37Å
443	L	85	Confident	70.1	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.9	172.1	-173.7	66.6	0	0	0	110.5	Y311 E314 P316 L317 P451 E470	Y311-L443 HydrophobicContact CD1-CD2 3.82Å; Y311-L443 HydrophobicContact CD2-CD2 3.9Å; Y311-L443 HydrophobicContact CE1-CD2 4.03Å; Y311-L443 HydrophobicContact CE2-CD2 4.1Å; Y311-L443 HydrophobicContact CG-CD2 3.77Å; E314-L443 PolarHBondContact OE1-N 3.18Å; P316-L443 CarbonylContact C-O 3.55Å; P316-L443 WeakPolarHBondContact CA-O 2.95Å; P316-L443 HydrophobicContact CB-CD2 4.22Å; P316-L443 HydrophobicContact CB-CG 4.16Å; L317-L443 PolarHBondContact N-O 3.09Å; L443-P451 HydrophobicContact CD1-CB 4.09Å; L443-E470 HydrophobicContact CD1-CB 4.03Å; L443-E470 HydrophobicContact CD1-CG 4.03Å
444	I	86.8	Confident	72.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.3	174.7	72.7	167	0	0	0	109.9	L317 V426 W452 L454 L467 I649	L317-I444 WeakPolarHBondContact O-CA 3.07Å; L317-I444 WeakPolarHBondContact O-CG2 3.49Å; V426-I444 HydrophobicContact CG1-CG2 4.27Å; V426-I444 HydrophobicContact CG2-CG2 3.77Å; I444-W452 HydrophobicContact CD1-CB 4.27Å; I444-W452 HydrophobicContact CG1-CB 3.75Å; I444-W452 WeakPolarHBondContact CG1-O 3.49Å; I444-W452 PolarHBondContact N-O 3Å; I444-W452 PolarHBondContact O-N 2.83Å; I444-L454 HydrophobicContact CD1-CB 4.21Å; I444-L454 HydrophobicContact CG1-CB 4.44Å; I444-L454 HydrophobicContact CG2-CB 3.99Å; I444-L454 HydrophobicContact CG2-CD2 4.32Å; I444-L467 HydrophobicContact CD1-CD2 3.74Å; I444-I649 HydrophobicContact CD1-CD1 3.33Å
445	M	85.1	Confident	74.1	Confident	17 Å²	17	46.3 Å²	46.3	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.4	170.8	-60.6	-57.6	-62	0	0	109.9	Y308 P316 T424 S449 P451	Y308-M445 HydrophobicContact CE1-CG 4.09Å; P316-M445 HydrophobicContact CB-CG 3.68Å; P316-M445 HydrophobicContact CB-SD 4.34Å; P316-M445 HydrophobicContact CG-CG 3.9Å; T424-M445 PolarHBondContact OG1-O 3.27Å; M445-S449 WeakPolarHBondContact CE-O 3.19Å; M445-P451 HydrophobicContact CE-CB 4.35Å; M445-P451 HydrophobicContact SD-CB 3.85Å
446	D	83.4	Confident	76.2	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-73.9	169.2	168.3	78.3	5.2	0	0	0	111.1	Q320 F448 S449 L450 W452 W651	Q320-D446 PolarHBondContact NE2-O 3.35Å; D446-F448 PolarHBondContact O-N 2.76Å; D446-F448 VanDerWaalsContact OD1-C 3.25Å; D446-F448 VanDerWaalsContact OD1-CA 3.27Å; D446-F448 WeakPolarHBondContact OD1-CA 3.36Å; D446-F448 WeakPolarHBondContact OD1-CB 3.25Å; D446-F448 PolarHBondContact OD1-N 2.85Å; D446-S449 PolarHBondContact O-N 2.94Å; D446-S449 PolarHBondContact OD1-N 2.77Å; D446-S449 VanDerWaalsContact OD1-N 3.13Å; D446-L450 PolarHBondContact N-O 2.91Å; D446-L450 PolarHBondContact OD1-N 2.81Å; D446-L450 WeakPolarHBondContact OD2-CB 3.22Å; D446-W452 PolarHBondContact OD2-NE1 2.9Å; D446-W651 HydrophobicContact CB-CD2 4.22Å; D446-W651 HydrophobicContact CB-CE3 4.43Å; D446-W651 HydrophobicContact CB-CH2 3.66Å; D446-W651 HydrophobicContact CB-CZ2 3.39Å; D446-W651 HydrophobicContact CB-CZ3 4.17Å
447	P	79.7	Confident	78.1	Confident	29 Å²	29	34 Å²	34	19%	0.188	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-5.9	176.7	-25	34.9	0	0	0	115.2	R422 W651	R422-P447 HydrophobicContact CB-CB 4.18Å; R422-P447 HydrophobicContact CB-CG 3.76Å; R422-P447 HydrophobicContact CG-CB 4.49Å; P447-W651 VanDerWaalsContact CD-NE1 3.33Å; P447-W651 HydrophobicContact CG-CB 4.4Å; P447-W651 VanDerWaalsContact CG-CD1 3.49Å; P447-W651 HydrophobicContact CG-CG 3.97Å
448	F	77.2	Confident	79.5	Confident	51 Å²	51	30.6 Å²	30.6	22%	0.224	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	14.3	-178.9	-52.3	-82.6	0	0	0	112.2	R422 D446 L450 R654	R422-F448 VanDerWaalsContact NH1-CZ 3.27Å; D446-F448 PolarHBondContact O-N 2.76Å; D446-F448 VanDerWaalsContact OD1-C 3.25Å; D446-F448 VanDerWaalsContact OD1-CA 3.27Å; D446-F448 WeakPolarHBondContact OD1-CA 3.36Å; D446-F448 WeakPolarHBondContact OD1-CB 3.25Å; D446-F448 PolarHBondContact OD1-N 2.85Å; F448-L450 PolarHBondContact O-N 2.84Å; F448-R654 HydrophobicContact CE2-CB 4.19Å; F448-R654 HydrophobicContact CZ-CB 4.18Å
449	S	78	Confident	80.7	Confident	46 Å²	46	28.8 Å²	28.8	32%	0.322	16%	0.158	S	C	.	.	S	Bend	trans	59.6	30.4	-177.2	-60.7	0	0	0	0	113.8	D306 M445 D446	D306-S449 PolarHBondContact OD2-OG 2.93Å; M445-S449 WeakPolarHBondContact CE-O 3.19Å; D446-S449 PolarHBondContact O-N 2.94Å; D446-S449 PolarHBondContact OD1-N 2.77Å; D446-S449 VanDerWaalsContact OD1-N 3.13Å
450	L	80.4	Confident	81.6	Confident	12 Å²	12	26.5 Å²	26.5	6%	0.063	15%	0.146	C	C	.	.			trans	-95.6	135.8	168.7	-58.9	174.4	0	0	0	110.6	D446 F448 F511 F547	D446-L450 PolarHBondContact N-O 2.91Å; D446-L450 PolarHBondContact OD1-N 2.81Å; D446-L450 WeakPolarHBondContact OD2-CB 3.22Å; F448-L450 PolarHBondContact O-N 2.84Å; L450-F511 HydrophobicContact CD1-CE1 3.82Å; L450-F511 HydrophobicContact CD1-CZ 3.5Å; L450-F547 HydrophobicContact CB-CD1 4.34Å; L450-F547 HydrophobicContact CB-CE1 3.98Å; L450-F547 HydrophobicContact CB-CZ 4.43Å; L450-F547 HydrophobicContact CD1-CE2 4.39Å; L450-F547 HydrophobicContact CD1-CZ 4.2Å; L450-F547 HydrophobicContact CD2-CD1 4.49Å; L450-F547 HydrophobicContact CD2-CG 4.49Å
451	P	83	Confident	82.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.2	179.8	34.3	-36.6	0	0	0	111.9	Y311 L443 M445 E470 K472 F547	Y311-P451 WeakPolarHBondContact OH-CB 3.35Å; Y311-P451 VanDerWaalsContact OH-CG 3.27Å; Y311-P451 WeakPolarHBondContact OH-CG 3.45Å; L443-P451 HydrophobicContact CD1-CB 4.09Å; M445-P451 HydrophobicContact CE-CB 4.35Å; M445-P451 HydrophobicContact SD-CB 3.85Å; P451-E470 HydrophobicContact CB-CB 4.17Å; P451-E470 HydrophobicContact CG-CB 4.44Å; P451-E470 WeakPolarHBondContact CG-O 3.34Å; P451-E470 PolarHBondContact O-N 3.43Å; P451-E470 VanDerWaalsContact O-N 3.09Å; P451-K472 HydrophobicContact CG-CG 4.49Å; P451-F547 HydrophobicContact CG-CD1 4.36Å; P451-F547 WeakPolarHBondContact O-CE1 3.17Å
452	W	85.9	Confident	82.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.6	177.1	-62	84.1	0	0	0	109.7	I444 D446 L467 I468 P469 F511 I540 F547 W651	I444-W452 HydrophobicContact CD1-CB 4.27Å; I444-W452 HydrophobicContact CG1-CB 3.75Å; I444-W452 WeakPolarHBondContact CG1-O 3.49Å; I444-W452 PolarHBondContact N-O 3Å; I444-W452 PolarHBondContact O-N 2.83Å; D446-W452 PolarHBondContact OD2-NE1 2.9Å; W452-L467 HydrophobicContact CB-CD2 4.25Å; W452-L467 HydrophobicContact CE3-CB 4.18Å; W452-I468 CarbonylContact C-O 3.58Å; W452-I468 WeakPolarHBondContact CA-O 3.39Å; W452-P469 HydrophobicContact CE3-CB 4.36Å; W452-P469 HydrophobicContact CZ3-CB 4.27Å; W452-F511 HydrophobicContact CH2-CB 4.31Å; W452-F511 HydrophobicContact CH2-CD1 4.46Å; W452-F511 AromaticContact CH2-CD2 3.71Å; W452-F511 HydrophobicContact CH2-CD2 3.71Å; W452-F511 HydrophobicContact CH2-CE2 4.08Å; W452-F511 AromaticContact CH2-CG 3.93Å; W452-F511 HydrophobicContact CH2-CG 3.93Å; W452-F511 HydrophobicContact CZ2-CB 4.47Å; W452-F511 AromaticContact CZ2-CD1 3.87Å; W452-F511 HydrophobicContact CZ2-CD1 3.87Å; W452-F511 AromaticContact CZ2-CD2 3.82Å; W452-F511 HydrophobicContact CZ2-CD2 3.82Å; W452-F511 AromaticContact CZ2-CE1 3.95Å; W452-F511 HydrophobicContact CZ2-CE1 3.95Å; W452-F511 AromaticContact CZ2-CE2 3.9Å; W452-F511 HydrophobicContact CZ2-CE2 3.9Å; W452-F511 AromaticContact CZ2-CG 3.8Å; W452-F511 HydrophobicContact CZ2-CG 3.8Å; W452-F511 AromaticContact CZ2-CZ 3.99Å; W452-F511 HydrophobicContact CZ2-CZ 3.99Å; W452-I540 HydrophobicContact CH2-CD1 4.46Å; W452-I540 HydrophobicContact CH2-CG2 4.28Å; W452-I540 HydrophobicContact CZ3-CD1 3.99Å; W452-I540 HydrophobicContact CZ3-CG2 4.02Å; W452-F547 HydrophobicContact CH2-CZ 4.13Å; W452-F547 HydrophobicContact CZ2-CE1 4.36Å; W452-F547 AromaticContact CZ2-CZ 3.81Å; W452-F547 HydrophobicContact CZ2-CZ 3.81Å; W452-W651 AromaticContact CD1-CH2 3.96Å; W452-W651 HydrophobicContact CD2-CH2 4.13Å; W452-W651 AromaticContact CE2-CH2 3.78Å; W452-W651 HydrophobicContact CG-CH2 4.24Å; W452-W651 HydrophobicContact CZ2-CH2 4.25Å; W452-W651 HydrophobicContact CZ2-CZ3 4.17Å; W452-W651 AromaticContact NE1-CH2 3.67Å
453	R	85.9	Confident	82.4	Confident	68 Å²	68	37.6 Å²	37.6	26%	0.257	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110	169.1	-162.3	155.1	-163.7	112.1	16.6	109.1	E314 S441 I468 E470	E314-R453 IonicContact OE2-CZ 2.79Å; E314-R453 IonicContact OE2-NH1 3.44Å; E314-R453 IonicContact OE2-NH2 3.97Å; E314-R453 PolarHBondContact OE2-NH2 2.86Å; E314-R453 VanDerWaalsContact OE2-NH2 3.1Å; S441-R453 PolarHBondContact OG-NE 2.77Å; S441-R453 PolarHBondContact OG-NH2 2.73Å; R453-I468 PolarHBondContact N-O 2.84Å; R453-I468 PolarHBondContact O-N 2.84Å; R453-E470 WeakPolarHBondContact CB-OE2 3.27Å; R453-E470 WeakPolarHBondContact CD-OE2 3.4Å; R453-E470 IonicContact NH1-OE1 3.76Å; R453-E470 PolarHBondContact NH1-OE1 3.02Å
454	L	88.9	Confident	82.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.6	173	176.4	66	0	0	0	108.1	V426 F428 S441 C442 I444 V465 L467 I647 I649	V426-L454 HydrophobicContact CB-CD2 4.17Å; V426-L454 HydrophobicContact CG1-CD2 4.15Å; V426-L454 HydrophobicContact CG2-CD2 4.19Å; F428-L454 HydrophobicContact CD2-CD2 4.01Å; F428-L454 HydrophobicContact CD2-CG 4.31Å; F428-L454 HydrophobicContact CE2-CD2 4.47Å; F428-L454 HydrophobicContact CE2-CG 4.29Å; S441-L454 CarbonylContact C-O 3.55Å; S441-L454 WeakPolarHBondContact CA-O 3.45Å; S441-L454 WeakPolarHBondContact CB-O 3.42Å; C442-L454 PolarHBondContact N-O 3.27Å; C442-L454 PolarHBondContact O-N 3.37Å; I444-L454 HydrophobicContact CD1-CB 4.21Å; I444-L454 HydrophobicContact CG1-CB 4.44Å; I444-L454 HydrophobicContact CG2-CB 3.99Å; I444-L454 HydrophobicContact CG2-CD2 4.32Å; L454-V465 HydrophobicContact CD1-CG1 3.56Å; L454-L467 HydrophobicContact CB-CD2 4.05Å; L454-L467 HydrophobicContact CD1-CD2 3.81Å; L454-L467 HydrophobicContact CD1-CG 4.32Å; L454-I647 HydrophobicContact CD2-CD1 4.06Å; L454-I647 HydrophobicContact CD2-CG2 4.41Å; L454-I649 HydrophobicContact CD1-CD1 4.35Å; L454-I649 HydrophobicContact CD2-CD1 4.43Å
455	F	85.6	Confident	82.6	Confident	19 Å²	19	41.4 Å²	41.4	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.7	-179.9	68.5	-87.3	0	0	0	112.6	V439 D440 N457 G466 I468 Q620	V439-F455 HydrophobicContact CG1-CB 3.62Å; V439-F455 HydrophobicContact CG1-CD2 3.86Å; V439-F455 HydrophobicContact CG1-CG 4.09Å; D440-F455 VanDerWaalsContact O-CA 3.28Å; D440-F455 WeakPolarHBondContact O-CA 3.35Å; F455-N457 HydrophobicContact CD2-CB 4.43Å; F455-N457 HydrophobicContact CE2-CB 4.43Å; F455-G466 VanDerWaalsContact CD1-O 3.25Å; F455-G466 WeakPolarHBondContact CD1-O 3.27Å; F455-G466 PolarHBondContact N-O 3.2Å; F455-G466 PolarHBondContact O-N 2.95Å; F455-I468 HydrophobicContact CD1-CD1 3.8Å; F455-I468 HydrophobicContact CD1-CG1 4.28Å; F455-I468 HydrophobicContact CE1-CD1 3.39Å; F455-I468 HydrophobicContact CE1-CG1 3.68Å; F455-I468 HydrophobicContact CZ-CD1 4.1Å; F455-Q620 HydrophobicContact CE2-CB 4.25Å; F455-Q620 HydrophobicContact CZ-CB 4.1Å
456	L	85	Confident	82.5	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.3	175.9	-174.8	71.3	0	0	0	109.3	F428 I430 D440 R458 A463 R464 V465	F428-L456 HydrophobicContact CD1-CB 4.46Å; F428-L456 HydrophobicContact CD1-CD2 4.46Å; F428-L456 HydrophobicContact CE1-CB 3.64Å; F428-L456 HydrophobicContact CE1-CD2 4.15Å; F428-L456 HydrophobicContact CZ-CB 3.83Å; I430-L456 HydrophobicContact CD1-CD2 4.23Å; I430-L456 HydrophobicContact CG1-CD2 4.29Å; D440-L456 PolarHBondContact O-N 3.37Å; L456-R458 HydrophobicContact CG-CG 4.46Å; L456-A463 HydrophobicContact CD1-CB 4.24Å; L456-R464 WeakPolarHBondContact CA-O 3.46Å; L456-V465 HydrophobicContact CD1-CG2 3.71Å
457	N	82.1	Confident	82.6	Confident	32 Å²	32	40.6 Å²	40.6	17%	0.171	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121	177.2	-178.4	-0.9	0	0	0	110.5	F455 S459 R464 Q620	F455-N457 HydrophobicContact CD2-CB 4.43Å; F455-N457 HydrophobicContact CE2-CB 4.43Å; N457-S459 PolarHBondContact ND2-OG 2.62Å; N457-S459 VanDerWaalsContact OD1-CB 3.32Å; N457-S459 WeakPolarHBondContact OD1-CB 3.36Å; N457-S459 PolarHBondContact OD1-N 2.67Å; N457-S459 PolarHBondContact OD1-OG 3.4Å; N457-R464 HydrophobicContact CB-CB 4.18Å; N457-R464 PolarHBondContact N-O 3Å; N457-R464 PolarHBondContact O-N 3.39Å; N457-Q620 PolarHBondContact ND2-OE1 3.3Å; N457-Q620 VanDerWaalsContact ND2-OE1 3.17Å
458	R	76.2	Confident	82.7	Confident	81 Å²	81	41.8 Å²	41.8	31%	0.306	20%	0.199	S	C	.	.			trans	-105.4	7.3	-177.9	-62.4	-177.1	-79.7	164.7	-7.8	114	N431 D440 L456 S460	N431-R458 PolarHBondContact O-NH1 2.81Å; N431-R458 PolarHBondContact O-NH2 2.92Å; D440-R458 IonicContact OD2-CZ 2.8Å; D440-R458 IonicContact OD2-NE 2.78Å; D440-R458 PolarHBondContact OD2-NE 2.99Å; D440-R458 IonicContact OD2-NH2 3.83Å; D440-R458 PolarHBondContact OD2-NH2 2.86Å; L456-R458 HydrophobicContact CG-CG 4.46Å; R458-S460 VanDerWaalsContact C-N 3.28Å; R458-S460 PolarHBondContact O-N 2.96Å
459	S	73.4	Confident	82.8	Confident	103 Å²	103	39.9 Å²	39.9	72%	0.72	19%	0.191	S	C	*	.	S	Bend	trans	-73.1	-16.2	-177.2	60.3	0	0	0	0	114.4	N457	N457-S459 PolarHBondContact ND2-OG 2.62Å; N457-S459 VanDerWaalsContact OD1-CB 3.32Å; N457-S459 WeakPolarHBondContact OD1-CB 3.36Å; N457-S459 PolarHBondContact OD1-N 2.67Å; N457-S459 PolarHBondContact OD1-OG 3.4Å
460	S	76.5	Confident	82.7	Confident	32 Å²	32	40.1 Å²	40.1	22%	0.224	19%	0.187	C	C	.	.	S	Bend	trans	-104.6	166	176.5	56.8	0	0	0	0	112.3	R458 L462 R464 C627	R458-S460 VanDerWaalsContact C-N 3.28Å; R458-S460 PolarHBondContact O-N 2.96Å; S460-L462 VanDerWaalsContact C-N 3.31Å; S460-L462 PolarHBondContact O-N 3.17Å; S460-L462 PolarHBondContact OG-O 3.38Å; S460-R464 WeakPolarHBondContact OG-CD 3.48Å; S460-R464 PolarHBondContact OG-NE 2.9Å; S460-C627 PolarHBondContact O-SG 2.83Å
461	R	83.8	Confident	82	Confident	232 Å²	232	44.3 Å²	44.3	88%	0.875	21%	0.206	S	C	*	.	S	Bend	trans	-54.8	-46	176.7	-66.8	-175.1	179.4	-167.7	-0.6	112.8	T626 C627	R461-T626 WeakPolarHBondContact O-CA 3.44Å; R461-C627 PolarHBondContact O-N 3.12Å
462	L	85.5	Confident	80.7	Confident	57 Å²	57	46.9 Å²	46.9	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.4	172.6	-63.1	177.8	0	0	0	109.6	S460 V533 A622 I625 T626	S460-L462 VanDerWaalsContact C-N 3.31Å; S460-L462 PolarHBondContact O-N 3.17Å; S460-L462 PolarHBondContact OG-O 3.38Å; L462-V533 HydrophobicContact CD1-CG2 4.1Å; L462-A622 HydrophobicContact CB-CB 4.4Å; L462-A622 HydrophobicContact CD1-CB 4.38Å; L462-I625 WeakPolarHBondContact CA-O 3.43Å; L462-I625 WeakPolarHBondContact CD2-O 3.5Å; L462-T626 HydrophobicContact CD2-CG2 4.15Å
463	A	83.4	Confident	78.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.6	173.5	0	0	0	0	0	111.4	L456 M623 I625 C627 L630	L456-A463 HydrophobicContact CD1-CB 4.24Å; A463-M623 PolarHBondContact O-N 2.83Å; A463-I625 PolarHBondContact N-O 3.03Å; A463-I625 VanDerWaalsContact N-O 3.1Å; A463-C627 VanDerWaalsContact CA-SG 3.6Å; A463-L630 HydrophobicContact CB-CD1 3.03Å
464	R	86.3	Confident	76.8	Confident	85 Å²	85	52.9 Å²	52.9	32%	0.321	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.3	-179.2	-66.6	175.8	-177.6	-102.6	-1.1	110.3	L456 N457 S460 Q620 V621 A622	L456-R464 WeakPolarHBondContact CA-O 3.46Å; N457-R464 HydrophobicContact CB-CB 4.18Å; N457-R464 PolarHBondContact N-O 3Å; N457-R464 PolarHBondContact O-N 3.39Å; S460-R464 WeakPolarHBondContact OG-CD 3.48Å; S460-R464 PolarHBondContact OG-NE 2.9Å; R464-Q620 HydrophobicContact CB-CB 4.45Å; R464-V621 CarbonylContact C-O 3.57Å; R464-V621 WeakPolarHBondContact CA-O 3.44Å; R464-A622 HydrophobicContact CG-CB 4.2Å
465	V	88.3	Confident	74.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.7	174.5	-177	0	0	0	0	108	L454 L456 L515 I517 Q620 V621 M623 I647	L454-V465 HydrophobicContact CD1-CG1 3.56Å; L456-V465 HydrophobicContact CD1-CG2 3.71Å; V465-L515 HydrophobicContact CB-CD1 4.3Å; V465-L515 HydrophobicContact CG1-CD1 4.02Å; V465-I517 HydrophobicContact CG2-CD1 4.24Å; V465-Q620 CarbonylContact O-C 3.59Å; V465-Q620 WeakPolarHBondContact O-CA 3.39Å; V465-V621 PolarHBondContact N-O 3.33Å; V465-V621 PolarHBondContact O-N 3.12Å; V465-M623 HydrophobicContact CB-CG 4.47Å; V465-M623 HydrophobicContact CB-SD 4.38Å; V465-M623 HydrophobicContact CG2-CE 4.4Å; V465-M623 HydrophobicContact CG2-CG 3.77Å; V465-M623 HydrophobicContact CG2-SD 4.15Å; V465-I647 HydrophobicContact CG1-CD1 4.4Å
466	G	84.6	Confident	72	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.4	178.2	0	0	0	0	0	113.4	F455 V619	F455-G466 VanDerWaalsContact CD1-O 3.25Å; F455-G466 WeakPolarHBondContact CD1-O 3.27Å; F455-G466 PolarHBondContact N-O 3.2Å; F455-G466 PolarHBondContact O-N 2.95Å; G466-V619 VanDerWaalsContact CA-O 3.24Å; G466-V619 WeakPolarHBondContact CA-O 3.4Å
467	L	85.9	Confident	69.4	Low	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135	177.5	-73.5	168.7	0	0	0	109	I444 W452 L454 L515 I540 V619 I649 W651	I444-L467 HydrophobicContact CD1-CD2 3.74Å; W452-L467 HydrophobicContact CB-CD2 4.25Å; W452-L467 HydrophobicContact CE3-CB 4.18Å; L454-L467 HydrophobicContact CB-CD2 4.05Å; L454-L467 HydrophobicContact CD1-CD2 3.81Å; L454-L467 HydrophobicContact CD1-CG 4.32Å; L467-L515 HydrophobicContact CD1-CD2 4.16Å; L467-I540 HydrophobicContact CB-CD1 3.75Å; L467-I540 HydrophobicContact CD1-CD1 4.14Å; L467-V619 PolarHBondContact N-O 3.48Å; L467-I649 HydrophobicContact CD1-CD1 4.44Å; L467-I649 HydrophobicContact CD1-CG2 4.42Å; L467-I649 HydrophobicContact CD2-CD1 4.15Å; L467-W651 HydrophobicContact CD1-CH2 4.39Å
468	I	81.8	Confident	66.7	Low	54 Å²	54	81.8 Å²	81.8	28%	0.277	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.9	172.9	-72.6	157.1	0	0	0	107.7	W452 R453 F455 E470 S618	W452-I468 CarbonylContact C-O 3.58Å; W452-I468 WeakPolarHBondContact CA-O 3.39Å; R453-I468 PolarHBondContact N-O 2.84Å; R453-I468 PolarHBondContact O-N 2.84Å; F455-I468 HydrophobicContact CD1-CD1 3.8Å; F455-I468 HydrophobicContact CD1-CG1 4.28Å; F455-I468 HydrophobicContact CE1-CD1 3.39Å; F455-I468 HydrophobicContact CE1-CG1 3.68Å; F455-I468 HydrophobicContact CZ-CD1 4.1Å; I468-E470 PolarHBondContact O-N 2.75Å; I468-S618 VanDerWaalsContact CG1-CB 3.5Å
469	P	79	Confident	64.5	Low	11 Å²	11	82 Å²	82	7%	0.071	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.9	171	28.6	-35.4	0	0	0	110.1	W452 C542 D546 F547 S617	W452-P469 HydrophobicContact CE3-CB 4.36Å; W452-P469 HydrophobicContact CZ3-CB 4.27Å; P469-C542 HydrophobicContact CG-CB 4.35Å; P469-D546 HydrophobicContact CB-CB 4.26Å; P469-D546 HydrophobicContact CG-CB 3.93Å; P469-F547 HydrophobicContact CB-CD1 4Å; P469-F547 HydrophobicContact CB-CE1 3.42Å; P469-F547 VanDerWaalsContact CB-CE1 3.42Å; P469-F547 HydrophobicContact CB-CE2 4.21Å; P469-F547 HydrophobicContact CB-CZ 3.55Å; P469-S617 WeakPolarHBondContact CD-O 3.36Å
470	E	74.5	Confident	62.4	Low	51 Å²	51	84.1 Å²	84.1	24%	0.238	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-91.7	134.8	177.7	-165	81.1	157.7	0	0	109.8	L443 P451 R453 I468	L443-E470 HydrophobicContact CD1-CB 4.03Å; L443-E470 HydrophobicContact CD1-CG 4.03Å; P451-E470 HydrophobicContact CB-CB 4.17Å; P451-E470 HydrophobicContact CG-CB 4.44Å; P451-E470 WeakPolarHBondContact CG-O 3.34Å; P451-E470 PolarHBondContact O-N 3.43Å; P451-E470 VanDerWaalsContact O-N 3.09Å; R453-E470 WeakPolarHBondContact CB-OE2 3.27Å; R453-E470 WeakPolarHBondContact CD-OE2 3.4Å; R453-E470 IonicContact NH1-OE1 3.76Å; R453-E470 PolarHBondContact NH1-OE1 3.02Å; I468-E470 PolarHBondContact O-N 2.75Å
471	Q	65.9	Low	60.2	Low	99 Å²	99	92.9 Å²	92.9	46%	0.463	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-79.1	131.8	177.3	-74.3	176.7	8.7	0	0	111	T473 D546	Q471-T473 PolarHBondContact O-N 2.85Å; Q471-T473 VanDerWaalsContact O-N 3.12Å; Q471-D546 WeakPolarHBondContact CG-O 3.32Å
472	K	57.1	Low	57.6	Low	54 Å²	54	90.5 Å²	90.5	24%	0.235	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-70.7	103.4	164.3	-72.1	-178.1	176.4	179.1	0	108.7	Y310 P451 D474 F547 Y548	Y310-K472 HydrophobicContact CE1-CB 3.92Å; Y310-K472 HydrophobicContact CE1-CG 4.22Å; P451-K472 HydrophobicContact CG-CG 4.49Å; K472-D474 PolarHBondContact O-N 3.09Å; K472-D474 VanDerWaalsContact O-N 3.11Å; K472-F547 WeakPolarHBondContact CB-O 3.49Å; K472-F547 PolarHBondContact N-O 2.89Å; K472-Y548 HydrophobicContact CD-CD1 4.18Å; K472-Y548 HydrophobicContact CD-CE1 3.92Å
473	T	46.6	Very low	54.8	Low	99 Å²	99	95.6 Å²	95.6	61%	0.607	46%	0.457	S	S	*	.			trans	-72.4	99.1	169.4	51.1	0	0	0	0	108.8	Y310 Q471 L475	Y310-T473 PolarHBondContact OH-O 3.05Å; Y310-T473 VanDerWaalsContact OH-O 3.06Å; Q471-T473 PolarHBondContact O-N 2.85Å; Q471-T473 VanDerWaalsContact O-N 3.12Å; T473-L475 PolarHBondContact O-N 2.85Å
474	D	43.4	Very low	52.1	Low	96 Å²	96	104.1 Å²	104.1	51%	0.513	50%	0.501	S	S	.	.			trans	-57.1	116.7	162.6	-79.4	-32.5	0	0	0	107.6	Y310 K472 Q476	Y310-D474 WeakPolarHBondContact OH-CA 3.48Å; Y310-D474 PolarHBondContact OH-N 3.01Å; Y310-D474 PolarHBondContact OH-OD1 3.37Å; K472-D474 PolarHBondContact O-N 3.09Å; K472-D474 VanDerWaalsContact O-N 3.11Å; D474-Q476 PolarHBondContact O-N 3.2Å
475	L	39.2	Very low	49.3	Very low	140 Å²	140	104.5 Å²	104.5	73%	0.733	52%	0.516	S	S	*	.			trans	-44.8	110.9	169.4	-88.6	152.2	0	0	0	107	T473 H477	T473-L475 PolarHBondContact O-N 2.85Å; L475-H477 PolarHBondContact O-N 3.39Å; L475-H477 VanDerWaalsContact O-N 3.13Å
476	Q	33.3	Very low	46.4	Very low	170 Å²	170	112.1 Å²	112.1	79%	0.794	55%	0.552	S	S	*	*			trans	-50.6	124.4	170.5	-67.7	177.5	-4	0	0	105.9	D474 E478	D474-Q476 PolarHBondContact O-N 3.2Å; Q476-E478 PolarHBondContact O-N 3.41Å
477	H	31.4	Very low	43.7	Very low	185 Å²	185	120.3 Å²	120.3	86%	0.856	59%	0.588	S	S	*	*			trans	-45.9	105.9	149.3	-94.7	-78.8	0	0	0	105.3	L475 P479	L475-H477 PolarHBondContact O-N 3.39Å; L475-H477 VanDerWaalsContact O-N 3.13Å; H477-P479 WeakPolarHBondContact O-CD 3.2Å
478	E	25	Very low	40.8	Very low	168 Å²	168	126.1 Å²	126.1	79%	0.785	63%	0.628	S	S	*	*			trans	-44	117.3	168	-106.7	-108.6	142.4	0	0	105.8	Q476 E480	Q476-E478 PolarHBondContact O-N 3.41Å; E478-E480 VanDerWaalsContact C-N 3.35Å; E478-E480 PolarHBondContact O-N 3.06Å
479	P	28.9	Very low	38.2	Very low	87 Å²	87	128.1 Å²	128.1	57%	0.565	65%	0.647	S	S	*	*			trans	-67.8	102.8	-179.7	26.2	-30.3	0	0	0	106	H477 Y481	H477-P479 WeakPolarHBondContact O-CD 3.2Å; P479-Y481 HydrophobicContact CB-CD2 3.96Å; P479-Y481 HydrophobicContact CB-CE2 4.18Å; P479-Y481 PolarHBondContact O-N 3.06Å
480	E	29.1	Very low	35.8	Very low	146 Å²	146	137.6 Å²	137.6	68%	0.682	69%	0.687	S	S	*	*			trans	-62.1	65.5	174.8	-74.9	-167.2	136.8	0	0	110.7	E478 M482 K483	E478-E480 VanDerWaalsContact C-N 3.35Å; E478-E480 PolarHBondContact O-N 3.06Å; E480-M482 PolarHBondContact O-N 3.19Å; E480-K483 IonicContact OE1-NZ 3.76Å
481	Y	30.5	Very low	33.5	Very low	217 Å²	217	141.3 Å²	141.3	85%	0.851	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	49.5	159.6	-73.2	-78.2	0	0	0	109.3	P479	P479-Y481 HydrophobicContact CB-CD2 3.96Å; P479-Y481 HydrophobicContact CB-CE2 4.18Å; P479-Y481 PolarHBondContact O-N 3.06Å
482	M	29	Very low	31.6	Very low	182 Å²	182	145.3 Å²	145.3	90%	0.897	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.3	37.5	168	-92.2	-136.1	-179.1	0	0	112.8	E480	E480-M482 PolarHBondContact O-N 3.19Å
483	K	27	Very low	30.1	Very low	164 Å²	164	148.9 Å²	148.9	71%	0.713	75%	0.747	S	S	*	*			trans	-139.9	80.7	160.6	-74.2	-173	-174.6	152.4	0	111.5	E480 S485	E480-K483 IonicContact OE1-NZ 3.76Å; K483-S485 PolarHBondContact O-N 3.01Å
484	I	26.2	Very low	29	Very low	179 Å²	179	153.7 Å²	153.7	92%	0.918	76%	0.76	S	S	*	*			trans	-75.9	94.7	157.6	-59.1	167.2	0	0	0	106.3
485	S	27.5	Very low	28.1	Very low	92 Å²	92	156.2 Å²	156.2	64%	0.643	77%	0.768	S	S	*	*			trans	-174.4	114.5	147.9	63.1	0	0	0	0	111.3	K483	K483-S485 PolarHBondContact O-N 3.01Å
486	E	28.1	Very low	27.3	Very low	161 Å²	161	154.5 Å²	154.5	75%	0.752	77%	0.768	S	S	*	*			trans	67.1	127.2	135.6	-62.8	-170.2	-178.2	0	0	121.2
487	K	28.8	Very low	26.8	Very low	172 Å²	172	154 Å²	154	75%	0.748	77%	0.766	S	S	*	*			trans	88.5	87.1	151.4	-67.3	165.2	-171.9	169.3	0	116.6	S489	K487-S489 PolarHBondContact O-N 3.32Å
488	S	24	Very low	26.5	Very low	122 Å²	122	149.9 Å²	149.9	85%	0.853	76%	0.757	S	S	*	*			trans	-24.2	106.8	144.7	55.3	0	0	0	0	114.5
489	S	28.4	Very low	26.4	Very low	95 Å²	95	149.9 Å²	149.9	66%	0.664	76%	0.758	S	S	*	*			trans	-118	115.8	152.4	49.9	0	0	0	0	107.6	K487 I491	K487-S489 PolarHBondContact O-N 3.32Å; S489-I491 VanDerWaalsContact C-N 3.29Å; S489-I491 PolarHBondContact O-N 2.81Å
490	K	26.9	Very low	26.2	Very low	210 Å²	210	154 Å²	154	91%	0.913	76%	0.762	S	S	*	*			trans	-67.6	85.1	175.6	-70.1	174	175.2	177.1	0	108.6	Q492	K490-Q492 PolarHBondContact O-N 3.11Å
491	I	27.9	Very low	26.1	Very low	130 Å²	130	149.5 Å²	149.5	67%	0.667	75%	0.747	S	S	*	*			trans	-86.7	109.9	166.7	-62.6	176.7	0	0	0	106	S489 D493	S489-I491 VanDerWaalsContact C-N 3.29Å; S489-I491 PolarHBondContact O-N 2.81Å; I491-D493 VanDerWaalsContact C-N 3.32Å; I491-D493 PolarHBondContact O-N 2.86Å
492	Q	26	Very low	26.1	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	74%	0.735	S	S	*	*			trans	-61.9	96.5	168.4	-77.2	172.9	-20.7	0	0	107.6	K490 K494	K490-Q492 PolarHBondContact O-N 3.11Å; Q492-K494 PolarHBondContact O-N 3.02Å
493	D	25	Very low	26.4	Very low	128 Å²	128	136.8 Å²	136.8	68%	0.684	70%	0.7	S	S	*	*			trans	-60.6	104.6	165.2	-79.4	-31.9	0	0	0	107.5	I491 H495	I491-D493 VanDerWaalsContact C-N 3.32Å; I491-D493 PolarHBondContact O-N 2.86Å; D493-H495 PolarHBondContact O-N 2.97Å
494	K	24.4	Very low	27.2	Very low	200 Å²	200	131 Å²	131	87%	0.87	68%	0.679	S	S	*	*			trans	-58.6	97.3	159.2	-80.8	-179.3	175.7	177.9	0	105.7	Q492 S496	Q492-K494 PolarHBondContact O-N 3.02Å; K494-S496 PolarHBondContact O-N 2.83Å
495	H	24.5	Very low	28.3	Very low	149 Å²	149	130.7 Å²	130.7	69%	0.69	68%	0.678	S	S	*	*			trans	-57.5	86.4	165.8	-74.5	-63	0	0	0	107.9	D493 H497	D493-H495 PolarHBondContact O-N 2.97Å; H495-H497 PolarHBondContact O-N 3.13Å
496	S	21.5	Very low	29.9	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	66%	0.658	S	S	*	*			trans	-63.8	97.4	150.1	49.6	0	0	0	0	104.2	K494 S498	K494-S496 PolarHBondContact O-N 2.83Å; S496-S498 PolarHBondContact O-N 2.84Å
497	H	22.3	Very low	31.8	Very low	159 Å²	159	121 Å²	121	74%	0.736	63%	0.627	S	S	*	*			trans	-62	81.5	161.7	-68.4	-71	0	0	0	106.1	H495 E499	H495-H497 PolarHBondContact O-N 3.13Å; H497-E499 PolarHBondContact O-N 2.91Å
498	S	25.4	Very low	33.9	Very low	98 Å²	98	113.7 Å²	113.7	69%	0.685	60%	0.596	S	S	*	*			trans	-62.7	96.1	147.6	46.3	0	0	0	0	103.5	S496 R500	S496-S498 PolarHBondContact O-N 2.84Å; S498-R500 VanDerWaalsContact C-N 3.3Å; S498-R500 PolarHBondContact O-N 2.89Å
499	E	23.7	Very low	36.5	Very low	169 Å²	169	109.7 Å²	109.7	79%	0.79	56%	0.563	S	S	*	*			trans	-53.9	104	171	-74	-175.1	160.3	0	0	106.1	H497 S501	H497-E499 PolarHBondContact O-N 2.91Å; E499-S501 VanDerWaalsContact C-N 3.33Å; E499-S501 PolarHBondContact O-N 2.83Å
500	R	23.5	Very low	39.2	Very low	173 Å²	173	106.1 Å²	106.1	65%	0.653	54%	0.536	S	S	*	.			trans	-56.6	102	174.7	-83.6	-178.3	-179.6	-157.9	-3.8	106.1	S498 T502 S551	S498-R500 VanDerWaalsContact C-N 3.3Å; S498-R500 PolarHBondContact O-N 2.89Å; R500-T502 PolarHBondContact O-N 3.27Å; R500-T502 PolarHBondContact O-OG1 3.37Å; R500-S551 PolarHBondContact NH1-OG 3.06Å
501	S	27.7	Very low	42	Very low	52 Å²	52	96.1 Å²	96.1	36%	0.364	49%	0.493	S	S	.	.			trans	-69.2	72.8	175.9	56.9	0	0	0	0	109.3	E499 I503 K544	E499-S501 VanDerWaalsContact C-N 3.33Å; E499-S501 PolarHBondContact O-N 2.83Å; S501-I503 PolarHBondContact O-N 3.04Å; S501-K544 PolarHBondContact O-NZ 3.07Å
502	T	31.4	Very low	44.8	Very low	98 Å²	98	90 Å²	90	60%	0.601	46%	0.461	S	S	*	.			trans	-64.8	106.8	167.8	23.8	0	0	0	0	105.6	R500	R500-T502 PolarHBondContact O-N 3.27Å; R500-T502 PolarHBondContact O-OG1 3.37Å
503	I	34.9	Very low	47.9	Very low	34 Å²	34	81.2 Å²	81.2	17%	0.174	42%	0.421	C	S	.	.			trans	-56.5	129.8	170.3	-72.1	-174.9	0	0	0	106.2	S501 I505 Y507 Y509 K544	S501-I503 PolarHBondContact O-N 3.04Å; I503-I505 PolarHBondContact O-N 3.07Å; I503-Y507 HydrophobicContact CG2-CD2 3.98Å; I503-Y507 HydrophobicContact CG2-CG 4.14Å; I503-Y509 HydrophobicContact CD1-CE2 4.28Å; I503-K544 HydrophobicContact CB-CD 4.31Å; I503-K544 HydrophobicContact CD1-CB 3.82Å; I503-K544 HydrophobicContact CD1-CD 3.37Å; I503-K544 HydrophobicContact CD1-CG 3.65Å; I503-K544 HydrophobicContact CG1-CD 3.67Å; I503-K544 HydrophobicContact CG1-CG 4.46Å
504	P	43.2	Very low	51	Low	41 Å²	41	75.9 Å²	75.9	27%	0.266	39%	0.391	S	S	.	.			trans	-53	137.5	-179.5	-24.6	31.5	0	0	0	110.3	G506 Y507 L569 L572	P504-G506 PolarHBondContact O-N 2.94Å; P504-Y507 HydrophobicContact CB-CD2 4.14Å; P504-Y507 HydrophobicContact CB-CE2 4.03Å; P504-Y507 HydrophobicContact CG-CD2 4.31Å; P504-Y507 HydrophobicContact CG-CE2 4Å; P504-Y507 PolarHBondContact O-N 2.84Å; P504-L569 HydrophobicContact CB-CD1 4.41Å; P504-L569 HydrophobicContact CB-CD2 4.11Å; P504-L572 HydrophobicContact CB-CD2 4.5Å; P504-L572 HydrophobicContact CG-CD2 4.5Å
505	I	49	Very low	54.2	Low	173 Å²	173	66.5 Å²	66.5	89%	0.887	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	114.1	171.9	-59.9	168.6	0	0	0	107.3	I503	I503-I505 PolarHBondContact O-N 3.07Å
506	G	60.8	Low	57.3	Low	23 Å²	23	61.4 Å²	61.4	24%	0.237	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	137	-19.5	-179.5	0	0	0	0	0	115.7	P504 I659	P504-G506 PolarHBondContact O-N 2.94Å; G506-I659 PolarHBondContact O-N 2.97Å
507	Y	69.5	Low	60.4	Low	26 Å²	26	56.4 Å²	56.4	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.6	177.8	-67.3	-88.9	0	0	0	113.2	P36 I503 P504 Q656 I657 Y658	P36-Y507 HydrophobicContact CB-CE1 4.13Å; I503-Y507 HydrophobicContact CG2-CD2 3.98Å; I503-Y507 HydrophobicContact CG2-CG 4.14Å; P504-Y507 HydrophobicContact CB-CD2 4.14Å; P504-Y507 HydrophobicContact CB-CE2 4.03Å; P504-Y507 HydrophobicContact CG-CD2 4.31Å; P504-Y507 HydrophobicContact CG-CE2 4Å; P504-Y507 PolarHBondContact O-N 2.84Å; Y507-Q656 HydrophobicContact CD1-CG 3.85Å; Y507-Q656 VanDerWaalsContact CD1-NE2 3.31Å; Y507-Q656 HydrophobicContact CG-CG 4.39Å; Y507-I657 CarbonylContact C-O 3.47Å; Y507-I657 WeakPolarHBondContact CA-O 3.33Å; Y507-Y658 HydrophobicContact CD1-CD2 4.22Å; Y507-Y658 HydrophobicContact CD2-CD2 4.17Å; Y507-Y658 HydrophobicContact CE1-CD2 4.03Å; Y507-Y658 HydrophobicContact CE1-CG 4.23Å; Y507-Y658 AromaticContact CE2-CD2 3.94Å; Y507-Y658 HydrophobicContact CE2-CD2 3.94Å; Y507-Y658 HydrophobicContact CG-CD2 4.3Å; Y507-Y658 AromaticContact CZ-CD2 3.88Å
508	L	72.6	Confident	63.3	Low	19 Å²	19	53 Å²	53	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.9	169.3	-62.9	-168.4	0	0	0	110.2	A541 C542 K543 A613 Q656 I657 I659	L508-A541 HydrophobicContact CD1-CB 4.04Å; L508-C542 CarbonylContact C-O 3.51Å; L508-C542 WeakPolarHBondContact CA-O 3.48Å; L508-K543 HydrophobicContact CD2-CB 4.2Å; L508-K543 HydrophobicContact CD2-CD 4.38Å; L508-K543 HydrophobicContact CD2-CG 3.24Å; L508-A613 HydrophobicContact CD1-CB 4.45Å; L508-Q656 CarbonylContact O-C 3.59Å; L508-Q656 WeakPolarHBondContact O-CA 3.4Å; L508-I657 PolarHBondContact N-O 2.81Å; L508-I657 PolarHBondContact O-N 2.82Å; L508-I659 HydrophobicContact CD1-CD1 3.25Å; L508-I659 HydrophobicContact CD1-CG1 4.31Å; L508-I659 HydrophobicContact CG-CD1 3.7Å; L508-I659 HydrophobicContact CG-CG1 4.31Å
509	Y	79.1	Confident	65.4	Low	39 Å²	39	48.8 Å²	48.8	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.9	163.7	-69.5	-78.2	0	0	0	109.6	I503 F511 A541 C542 K544 H655 Q656	I503-Y509 HydrophobicContact CD1-CE2 4.28Å; Y509-F511 HydrophobicContact CG-CE2 4.38Å; Y509-A541 CarbonylContact O-C 3.5Å; Y509-A541 WeakPolarHBondContact O-CA 3.3Å; Y509-C542 PolarHBondContact N-O 3.11Å; Y509-C542 PolarHBondContact O-N 2.88Å; Y509-K544 HydrophobicContact CE2-CB 4.25Å; Y509-K544 HydrophobicContact CE2-CG 4.34Å; Y509-H655 CarbonylContact C-O 3.58Å; Y509-H655 WeakPolarHBondContact CA-O 3.22Å; Y509-Q656 HydrophobicContact CD1-CB 4.06Å; Y509-Q656 HydrophobicContact CE1-CB 3.95Å; Y509-Q656 HydrophobicContact CE1-CG 4.27Å
510	L	83.6	Confident	67.4	Low	20 Å²	20	45.1 Å²	45.1	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.9	170.8	-177.4	71.5	0	0	0	109.5	Y40 Q539 A541 F653 R654 H655 I657	Y40-L510 HydrophobicContact CD1-CD2 3.98Å; L510-Q539 HydrophobicContact CD1-CB 4.3Å; L510-A541 HydrophobicContact CD1-CB 4.45Å; L510-F653 HydrophobicContact CD2-CE2 3.97Å; L510-F653 HydrophobicContact CG-CE2 4.09Å; L510-R654 WeakPolarHBondContact O-CA 3.13Å; L510-H655 PolarHBondContact N-O 3.05Å; L510-H655 PolarHBondContact O-N 2.72Å; L510-I657 HydrophobicContact CB-CD1 3.53Å; L510-I657 HydrophobicContact CB-CG1 4.08Å; L510-I657 HydrophobicContact CD2-CD1 3.41Å; L510-I657 VanDerWaalsContact CD2-CD1 3.41Å; L510-I657 HydrophobicContact CG-CD1 4.04Å
511	F	85.5	Confident	69	Low	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.8	174.8	-63.1	-94.2	0	0	0	110.1	L450 W452 Y509 Q539 I540 C542 F547 W651 R654	L450-F511 HydrophobicContact CD1-CE1 3.82Å; L450-F511 HydrophobicContact CD1-CZ 3.5Å; W452-F511 HydrophobicContact CH2-CB 4.31Å; W452-F511 HydrophobicContact CH2-CD1 4.46Å; W452-F511 AromaticContact CH2-CD2 3.71Å; W452-F511 HydrophobicContact CH2-CD2 3.71Å; W452-F511 HydrophobicContact CH2-CE2 4.08Å; W452-F511 AromaticContact CH2-CG 3.93Å; W452-F511 HydrophobicContact CH2-CG 3.93Å; W452-F511 HydrophobicContact CZ2-CB 4.47Å; W452-F511 AromaticContact CZ2-CD1 3.87Å; W452-F511 HydrophobicContact CZ2-CD1 3.87Å; W452-F511 AromaticContact CZ2-CD2 3.82Å; W452-F511 HydrophobicContact CZ2-CD2 3.82Å; W452-F511 AromaticContact CZ2-CE1 3.95Å; W452-F511 HydrophobicContact CZ2-CE1 3.95Å; W452-F511 AromaticContact CZ2-CE2 3.9Å; W452-F511 HydrophobicContact CZ2-CE2 3.9Å; W452-F511 AromaticContact CZ2-CG 3.8Å; W452-F511 HydrophobicContact CZ2-CG 3.8Å; W452-F511 AromaticContact CZ2-CZ 3.99Å; W452-F511 HydrophobicContact CZ2-CZ 3.99Å; Y509-F511 HydrophobicContact CG-CE2 4.38Å; F511-Q539 WeakPolarHBondContact O-CA 3.33Å; F511-I540 PolarHBondContact N-O 3.37Å; F511-I540 PolarHBondContact O-N 2.85Å; F511-C542 HydrophobicContact CE2-CB 4.38Å; F511-F547 HydrophobicContact CE2-CE2 4.2Å; F511-F547 HydrophobicContact CE2-CZ 4.25Å; F511-F547 HydrophobicContact CZ-CE2 4.39Å; F511-F547 HydrophobicContact CZ-CZ 4.35Å; F511-W651 HydrophobicContact CD1-CZ3 4.43Å; F511-R654 HydrophobicContact CD1-CB 4.13Å; F511-R654 HydrophobicContact CD1-CG 3.96Å; F511-R654 HydrophobicContact CE1-CB 4.18Å; F511-R654 HydrophobicContact CE1-CG 3.57Å; F511-R654 HydrophobicContact CZ-CG 4.1Å
512	G	87.1	Confident	69.9	Low	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.3	171.4	0	0	0	0	0	110.8	L538 L652 F653	G512-L538 WeakPolarHBondContact CA-O 3.36Å; G512-L652 PolarHBondContact O-N 3.06Å; G512-F653 VanDerWaalsContact CA-CE2 3.49Å; G512-F653 VanDerWaalsContact CA-CZ 3.42Å; G512-F653 PolarHBondContact N-O 3.44Å; G512-F653 PolarHBondContact O-N 3.38Å
513	C	90.5	Very high	70.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.7	174.4	64.6	0	0	0	0	113	L538 I649 Q650 W651	C513-L538 PolarHBondContact N-O 3.28Å; C513-L538 WeakPolarHBondContact O-CB 3.41Å; C513-L538 PolarHBondContact O-N 3.08Å; C513-I649 HydrophobicContact CB-CG2 4.09Å; C513-Q650 CarbonylContact C-O 3.5Å; C513-Q650 WeakPolarHBondContact CA-O 3.45Å; C513-Q650 VanDerWaalsContact CB-O 3.31Å; C513-Q650 WeakPolarHBondContact CB-O 3.44Å; C513-W651 HydrophobicContact CB-CD2 4.5Å; C513-W651 HydrophobicContact CB-CE3 4.12Å; C513-W651 HydrophobicContact CB-CZ3 4.46Å
514	K	91.4	Very high	71.4	Confident	15 Å²	15	54 Å²	54	7%	0.065	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.4	167.6	-56.2	-175.2	172.4	176.6	0	108.7	N44 E536 I537 I649 Q650 L652	N44-K514 PolarHBondContact OD1-NZ 3.4Å; K514-E536 HydrophobicContact CD-CG 3.98Å; K514-E536 VanDerWaalsContact CE-CD 3.45Å; K514-E536 WeakPolarHBondContact CE-OE1 3.39Å; K514-E536 WeakPolarHBondContact CG-O 3.4Å; K514-E536 IonicContact NZ-OE1 2.83Å; K514-E536 PolarHBondContact NZ-OE1 2.97Å; K514-E536 IonicContact NZ-OE2 3.07Å; K514-E536 PolarHBondContact NZ-OE2 2.84Å; K514-E536 VanDerWaalsContact NZ-OE2 3.15Å; K514-I537 HydrophobicContact CD-CG1 4.41Å; K514-I537 VanDerWaalsContact CE-CG1 3.45Å; K514-I537 HydrophobicContact CG-CG1 4.13Å; K514-I649 WeakPolarHBondContact O-CA 3.49Å; K514-Q650 HydrophobicContact CB-CB 4.2Å; K514-Q650 PolarHBondContact N-O 3.41Å; K514-Q650 PolarHBondContact O-N 2.83Å; K514-L652 HydrophobicContact CD-CD1 4.35Å; K514-L652 HydrophobicContact CG-CD1 3.95Å; K514-L652 HydrophobicContact CG-CG 4.47Å
515	L	90.3	Very high	71.7	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	179.8	-64.2	174.1	0	0	0	109.1	V465 L467 P532 L538 M623 I649	V465-L515 HydrophobicContact CB-CD1 4.3Å; V465-L515 HydrophobicContact CG1-CD1 4.02Å; L467-L515 HydrophobicContact CD1-CD2 4.16Å; L515-P532 WeakPolarHBondContact O-CD 3.49Å; L515-L538 HydrophobicContact CD1-CD2 3.83Å; L515-M623 HydrophobicContact CB-CE 4.48Å; L515-I649 HydrophobicContact CD2-CB 4.16Å; L515-I649 HydrophobicContact CD2-CD1 4.18Å; L515-I649 HydrophobicContact CD2-CG1 3.64Å; L515-I649 HydrophobicContact CD2-CG2 3.91Å
516	R	89.8	Confident	71.7	Confident	42 Å²	42	56.7 Å²	56.7	16%	0.158	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.5	177.6	-72.3	174	172	145.1	1.1	110.6	V529 E531 E536 E648	R516-V529 HydrophobicContact CB-CG1 4.09Å; R516-V529 HydrophobicContact CG-CG1 4.11Å; R516-E531 WeakPolarHBondContact CG-OE2 3.44Å; R516-E531 IonicContact CZ-OE1 3.45Å; R516-E531 IonicContact CZ-OE2 2.78Å; R516-E531 VanDerWaalsContact NE-CD 3.31Å; R516-E531 IonicContact NE-OE1 3.1Å; R516-E531 PolarHBondContact NE-OE1 3.34Å; R516-E531 IonicContact NE-OE2 3.84Å; R516-E531 PolarHBondContact NE-OE2 3.24Å; R516-E531 IonicContact NH2-OE1 3.81Å; R516-E531 PolarHBondContact NH2-OE1 3.46Å; R516-E531 IonicContact NH2-OE2 2.94Å; R516-E536 IonicContact NH2-OE1 2.66Å; R516-E648 HydrophobicContact CB-CB 4.44Å; R516-E648 PolarHBondContact N-O 3.47Å; R516-E648 PolarHBondContact O-N 3.01Å
517	I	87.3	Confident	71.5	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.2	169.1	-68.8	160.5	0	0	0	108.3	V465 I530 M623 I637 I645 I647	V465-I517 HydrophobicContact CG2-CD1 4.24Å; I517-I530 HydrophobicContact CB-CB 4.1Å; I517-I530 HydrophobicContact CB-CD1 4.27Å; I517-I530 HydrophobicContact CG2-CD1 3.97Å; I517-I530 PolarHBondContact N-O 2.83Å; I517-I530 VanDerWaalsContact N-O 3.11Å; I517-I530 PolarHBondContact O-N 2.86Å; I517-M623 HydrophobicContact CB-CE 4.45Å; I517-M623 HydrophobicContact CD1-CB 4.23Å; I517-M623 HydrophobicContact CD1-CE 3.77Å; I517-M623 HydrophobicContact CD1-CG 3.87Å; I517-M623 HydrophobicContact CG1-CE 3.77Å; I517-I637 HydrophobicContact CG2-CG2 4.11Å; I517-I645 HydrophobicContact CB-CG2 4.46Å; I517-I645 HydrophobicContact CG1-CG2 4.41Å; I517-I645 HydrophobicContact CG2-CG2 3.36Å; I517-I647 HydrophobicContact CG1-CG1 4.23Å
518	R	82.5	Confident	71.5	Confident	86 Å²	86	60.6 Å²	60.6	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	173.5	-70.2	-164	178.7	-146.9	-1.5	110.3	T646 E648	R518-T646 PolarHBondContact N-O 3.3Å; R518-E648 IonicContact CZ-OE2 3.66Å; R518-E648 IonicContact NE-OE2 3.32Å; R518-E648 PolarHBondContact NE-OE2 2.89Å; R518-E648 IonicContact NH2-OE1 2.59Å; R518-E648 IonicContact NH2-OE2 3.53Å; R518-E648 PolarHBondContact NH2-OE2 3.2Å
519	G	71.2	Confident	71.8	Confident	11 Å²	11	62.4 Å²	62.4	11%	0.113	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73.2	137.5	168.5	0	0	0	0	0	112.1	Q521 C528 G636	G519-Q521 PolarHBondContact O-N 3.15Å; G519-C528 PolarHBondContact N-O 2.74Å; G519-G636 CarbonylContact C-O 3.54Å
520	Y	64.7	Low	72.1	Confident	92 Å²	92	61.1 Å²	61.1	36%	0.361	32%	0.32	S	S	.	.			trans	-74.8	56.6	166.4	-167.6	-94.2	0	0	0	111.8	S522 G636 N639 P640	Y520-S522 PolarHBondContact O-N 2.85Å; Y520-G636 CarbonylContact C-O 3.57Å; Y520-G636 WeakPolarHBondContact CA-O 3.49Å; Y520-G636 PolarHBondContact N-O 3.06Å; Y520-G636 VanDerWaalsContact O-O 3.13Å; Y520-N639 HydrophobicContact CD2-CB 3.84Å; Y520-N639 HydrophobicContact CE2-CB 4.16Å; Y520-N639 HydrophobicContact CG-CB 4.18Å; Y520-P640 HydrophobicContact CD1-CG 4.09Å; Y520-P640 HydrophobicContact CE1-CG 3.74Å
521	Q	56.5	Low	72.2	Confident	91 Å²	91	63 Å²	63	43%	0.425	33%	0.328	S	S	.	.			trans	-83.7	118.1	172.9	-78.8	-167	0.1	0	0	110.8	G519 N523 N526 G636	G519-Q521 PolarHBondContact O-N 3.15Å; Q521-N523 PolarHBondContact O-N 3.04Å; Q521-N526 WeakPolarHBondContact CB-O 3.11Å; Q521-N526 PolarHBondContact OE1-O 2.81Å; Q521-G636 PolarHBondContact N-O 3.1Å
522	S	48	Very low	72.3	Confident	112 Å²	112	63.8 Å²	63.8	78%	0.783	33%	0.334	S	S	*	.			trans	-66.2	-17.4	178.1	178.2	0	0	0	0	113.5	Y520 K524	Y520-S522 PolarHBondContact O-N 2.85Å; S522-K524 PolarHBondContact O-N 2.77Å
523	N	45.6	Very low	72	Confident	131 Å²	131	67.4 Å²	67.4	70%	0.701	36%	0.355	S	S	*	.	S	Bend	trans	-80.2	113.8	177.6	-94.7	-15.7	0	0	0	109.2	Q521 N525 N526	Q521-N523 PolarHBondContact O-N 3.04Å; N523-N525 PolarHBondContact O-N 2.9Å; N523-N526 PolarHBondContact O-N 3.07Å
524	K	50.4	Low	71.5	Confident	210 Å²	210	70.8 Å²	70.8	91%	0.913	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-11.7	-175.8	-74.2	-178.7	175.8	177.2	0	116.1	S522	S522-K524 PolarHBondContact O-N 2.77Å
525	N	49.9	Very low	70.7	Confident	149 Å²	149	78.5 Å²	78.5	80%	0.797	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-8.2	-170.6	-73.2	7.5	0	0	0	115.7	N523	N523-N525 PolarHBondContact O-N 2.9Å
526	N	49.9	Very low	70.2	Confident	120 Å²	120	82 Å²	82	64%	0.642	44%	0.44	S	S	*	.			trans	-146.3	90.3	173.6	-103.9	1.4	0	0	0	110.3	Q521 N523 C528	Q521-N526 WeakPolarHBondContact CB-O 3.11Å; Q521-N526 PolarHBondContact OE1-O 2.81Å; N523-N526 PolarHBondContact O-N 3.07Å; N526-C528 PolarHBondContact O-N 3.26Å; N526-C528 VanDerWaalsContact O-N 3.11Å
527	S	57.2	Low	69.9	Low	74 Å²	74	81.3 Å²	81.3	52%	0.517	44%	0.439	S	S	.	.			trans	-68	106.2	157.1	57.1	0	0	0	0	106.8	V529	S527-V529 PolarHBondContact O-N 2.95Å
528	C	67.9	Low	69.7	Low	57 Å²	57	81.9 Å²	81.9	39%	0.385	44%	0.442	S	S	.	.			trans	-62.1	121	169.1	-175	0	0	0	0	107.8	G519 N526	G519-C528 PolarHBondContact N-O 2.74Å; N526-C528 PolarHBondContact O-N 3.26Å; N526-C528 VanDerWaalsContact O-N 3.11Å
529	V	80.5	Confident	69.6	Low	57 Å²	57	82.5 Å²	82.5	35%	0.345	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.9	173.5	178.9	0	0	0	0	106.2	R516 S527	R516-V529 HydrophobicContact CB-CG1 4.09Å; R516-V529 HydrophobicContact CG-CG1 4.11Å; S527-V529 PolarHBondContact O-N 2.95Å
530	I	84.4	Confident	70	Confident	12 Å²	12	82 Å²	82	6%	0.062	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.7	178.9	-55.2	169.5	0	0	0	107.5	I517 M623 E624 I625 I637	I517-I530 HydrophobicContact CB-CB 4.1Å; I517-I530 HydrophobicContact CB-CD1 4.27Å; I517-I530 HydrophobicContact CG2-CD1 3.97Å; I517-I530 PolarHBondContact N-O 2.83Å; I517-I530 VanDerWaalsContact N-O 3.11Å; I517-I530 PolarHBondContact O-N 2.86Å; I530-M623 HydrophobicContact CG2-CB 4.39Å; I530-E624 HydrophobicContact CG2-CB 4.22Å; I530-I625 HydrophobicContact CD1-CB 4.16Å; I530-I625 HydrophobicContact CD1-CD1 3.62Å; I530-I625 HydrophobicContact CD1-CG1 4.49Å; I530-I625 HydrophobicContact CD1-CG2 4.23Å; I530-I625 HydrophobicContact CG2-CB 4.14Å; I530-I625 HydrophobicContact CG2-CG2 4Å; I530-I637 HydrophobicContact CD1-CD1 3.87Å; I530-I637 HydrophobicContact CD1-CG1 4.43Å; I530-I637 HydrophobicContact CD1-CG2 4.43Å
531	E	86.7	Confident	70.5	Confident	60 Å²	60	78.5 Å²	78.5	28%	0.28	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-94.6	161.1	-177.8	-65.9	-68.4	176.7	0	0	111	R516 E624	R516-E531 WeakPolarHBondContact CG-OE2 3.44Å; R516-E531 IonicContact CZ-OE1 3.45Å; R516-E531 IonicContact CZ-OE2 2.78Å; R516-E531 VanDerWaalsContact NE-CD 3.31Å; R516-E531 IonicContact NE-OE1 3.1Å; R516-E531 PolarHBondContact NE-OE1 3.34Å; R516-E531 IonicContact NE-OE2 3.84Å; R516-E531 PolarHBondContact NE-OE2 3.24Å; R516-E531 IonicContact NH2-OE1 3.81Å; R516-E531 PolarHBondContact NH2-OE1 3.46Å; R516-E531 IonicContact NH2-OE2 2.94Å; E531-E624 WeakPolarHBondContact O-CB 3.38Å; E531-E624 PolarHBondContact O-N 3.32Å
532	P	86.8	Confident	71.2	Confident	17 Å²	17	74.1 Å²	74.1	11%	0.11	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-72.7	146	173.6	28.2	-32.6	0	0	0	112.1	L515 G534 V621 M623	L515-P532 WeakPolarHBondContact O-CD 3.49Å; P532-G534 PolarHBondContact O-N 2.68Å; P532-V621 HydrophobicContact CB-CG1 3.31Å; P532-M623 HydrophobicContact CB-SD 4.38Å
533	V	81	Confident	72.1	Confident	75 Å²	75	70.6 Å²	70.6	46%	0.455	38%	0.384	S	S	.	.	S	Bend	trans	-77.7	118.4	170.5	-179.1	0	0	0	0	109.6	L462 A622 E624	L462-V533 HydrophobicContact CD1-CG2 4.1Å; V533-A622 HydrophobicContact CB-CB 4.41Å; V533-A622 PolarHBondContact N-O 3.13Å; V533-E624 HydrophobicContact CG2-CB 4.11Å
534	G	79.9	Confident	73	Confident	71 Å²	71	66.3 Å²	66.3	73%	0.732	36%	0.359	S	S	*	.	S	Bend	trans	97.3	-116.5	174.4	0	0	0	0	0	112.9	P532 E536	P532-G534 PolarHBondContact O-N 2.68Å; G534-E536 PolarHBondContact O-N 2.74Å
535	K	73.4	Confident	73.4	Confident	178 Å²	178	58.8 Å²	58.8	77%	0.774	33%	0.332	S	S	*	.			trans	-70.4	121.5	-175.9	-69.5	-172.8	178.8	-176.3	0	110.3
536	E	80.3	Confident	73.7	Confident	75 Å²	75	53.1 Å²	53.1	35%	0.35	30%	0.302	S	S	.	.	S	Bend	trans	-65.6	-37.9	178	-162.7	-166.8	173.7	0	0	112.3	N44 K514 R516 G534	N44-E536 PolarHBondContact ND2-OE2 2.72Å; K514-E536 HydrophobicContact CD-CG 3.98Å; K514-E536 VanDerWaalsContact CE-CD 3.45Å; K514-E536 WeakPolarHBondContact CE-OE1 3.39Å; K514-E536 WeakPolarHBondContact CG-O 3.4Å; K514-E536 IonicContact NZ-OE1 2.83Å; K514-E536 PolarHBondContact NZ-OE1 2.97Å; K514-E536 IonicContact NZ-OE2 3.07Å; K514-E536 PolarHBondContact NZ-OE2 2.84Å; K514-E536 VanDerWaalsContact NZ-OE2 3.15Å; R516-E536 IonicContact NH2-OE1 2.66Å; G534-E536 PolarHBondContact O-N 2.74Å
537	I	83.8	Confident	73.8	Confident	28 Å²	28	47.6 Å²	47.6	14%	0.144	27%	0.272	C	S	.	.	S	Bend	trans	-102.4	122.3	-179.4	-57.8	174.4	0	0	0	110	N44 K514 Q539 L652 F653	N44-I537 HydrophobicContact CB-CD1 4.03Å; K514-I537 HydrophobicContact CD-CG1 4.41Å; K514-I537 VanDerWaalsContact CE-CG1 3.45Å; K514-I537 HydrophobicContact CG-CG1 4.13Å; I537-Q539 HydrophobicContact CG2-CG 4.44Å; I537-L652 HydrophobicContact CB-CD1 4.45Å; I537-L652 HydrophobicContact CD1-CD1 3.63Å; I537-L652 HydrophobicContact CG1-CD1 3.7Å; I537-L652 HydrophobicContact CG2-CD1 3.95Å; I537-F653 HydrophobicContact CG2-CE1 4.26Å; I537-F653 HydrophobicContact CG2-CZ 4.46Å
538	L	83	Confident	73.6	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.5	169.5	-170.3	61	0	0	0	109.8	G512 C513 L515 I540 V619 V621	G512-L538 WeakPolarHBondContact CA-O 3.36Å; C513-L538 PolarHBondContact N-O 3.28Å; C513-L538 WeakPolarHBondContact O-CB 3.41Å; C513-L538 PolarHBondContact O-N 3.08Å; L515-L538 HydrophobicContact CD1-CD2 3.83Å; L538-I540 HydrophobicContact CD2-CD1 3.99Å; L538-I540 HydrophobicContact CD2-CG1 4.2Å; L538-I540 HydrophobicContact CG-CD1 4.36Å; L538-I540 HydrophobicContact CG-CG1 4.04Å; L538-V619 HydrophobicContact CD1-CB 3.88Å; L538-V619 HydrophobicContact CD1-CG1 3.28Å; L538-V619 HydrophobicContact CG-CB 4.4Å; L538-V619 HydrophobicContact CG-CG1 4.27Å; L538-V621 HydrophobicContact CB-CG2 4.31Å; L538-V621 HydrophobicContact CD1-CG2 3.33Å; L538-V621 HydrophobicContact CD2-CG2 4.01Å; L538-V621 HydrophobicContact CG-CG2 4.09Å
539	Q	80.3	Confident	72.6	Confident	99 Å²	99	49.6 Å²	49.6	46%	0.463	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.8	174.6	-71	-177.1	-7.8	0	0	109.7	L510 F511 I537 F653	L510-Q539 HydrophobicContact CD1-CB 4.3Å; F511-Q539 WeakPolarHBondContact O-CA 3.33Å; I537-Q539 HydrophobicContact CG2-CG 4.44Å; Q539-F653 HydrophobicContact CG-CZ 4.2Å
540	I	79.9	Confident	70.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.1	-179.2	-48.8	174.1	0	0	0	108.2	W452 L467 F511 L538 V619	W452-I540 HydrophobicContact CH2-CD1 4.46Å; W452-I540 HydrophobicContact CH2-CG2 4.28Å; W452-I540 HydrophobicContact CZ3-CD1 3.99Å; W452-I540 HydrophobicContact CZ3-CG2 4.02Å; L467-I540 HydrophobicContact CB-CD1 3.75Å; L467-I540 HydrophobicContact CD1-CD1 4.14Å; F511-I540 PolarHBondContact N-O 3.37Å; F511-I540 PolarHBondContact O-N 2.85Å; L538-I540 HydrophobicContact CD2-CD1 3.99Å; L538-I540 HydrophobicContact CD2-CG1 4.2Å; L538-I540 HydrophobicContact CG-CD1 4.36Å; L538-I540 HydrophobicContact CG-CG1 4.04Å; I540-V619 HydrophobicContact CB-CG2 4.44Å; I540-V619 HydrophobicContact CG1-CB 4.28Å; I540-V619 HydrophobicContact CG1-CG2 4.08Å; I540-V619 HydrophobicContact CG2-CG2 4.2Å
541	A	75.5	Confident	68.2	Low	18 Å²	18	53.2 Å²	53.2	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.3	176.1	0	0	0	0	0	109.8	L508 Y509 L510 I616	L508-A541 HydrophobicContact CD1-CB 4.04Å; Y509-A541 CarbonylContact O-C 3.5Å; Y509-A541 WeakPolarHBondContact O-CA 3.3Å; L510-A541 HydrophobicContact CD1-CB 4.45Å; A541-I616 HydrophobicContact CB-CG2 3.97Å
542	C	69.9	Low	65.7	Low	0 Å²	0	58 Å²	58	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.4	-177	-53.2	0	0	0	0	110.4	P469 L508 Y509 F511 F547	P469-C542 HydrophobicContact CG-CB 4.35Å; L508-C542 CarbonylContact C-O 3.51Å; L508-C542 WeakPolarHBondContact CA-O 3.48Å; Y509-C542 PolarHBondContact N-O 3.11Å; Y509-C542 PolarHBondContact O-N 2.88Å; F511-C542 HydrophobicContact CE2-CB 4.38Å; C542-F547 HydrophobicContact CB-CE2 3.71Å; C542-F547 HydrophobicContact CB-CZ 4.21Å
543	K	67.7	Low	62.7	Low	38 Å²	38	61.3 Å²	61.3	17%	0.165	34%	0.338	C	S	.	.			trans	-83.4	156.9	166.6	-65.6	168	-170.3	160.3	0	109.7	L508 S545 D546 L610 N614	L508-K543 HydrophobicContact CD2-CB 4.2Å; L508-K543 HydrophobicContact CD2-CD 4.38Å; L508-K543 HydrophobicContact CD2-CG 3.24Å; K543-S545 VanDerWaalsContact CB-OG 3.3Å; K543-S545 WeakPolarHBondContact CB-OG 3.46Å; K543-S545 PolarHBondContact O-N 2.68Å; K543-D546 PolarHBondContact N-OD2 3.12Å; K543-D546 VanDerWaalsContact O-CB 3.28Å; K543-D546 WeakPolarHBondContact O-CB 3.39Å; K543-D546 PolarHBondContact O-N 2.99Å; K543-L610 VanDerWaalsContact NZ-CD1 3.27Å; K543-N614 PolarHBondContact NZ-OD1 3.4Å
544	K	64.6	Low	60.2	Low	41 Å²	41	63.1 Å²	63.1	18%	0.178	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-57.3	-38.3	169.7	-160.3	-151.8	-161.1	174	0	111.8	S501 I503 Y509 D546 F547 Y548 E550	S501-K544 PolarHBondContact O-NZ 3.07Å; I503-K544 HydrophobicContact CB-CD 4.31Å; I503-K544 HydrophobicContact CD1-CB 3.82Å; I503-K544 HydrophobicContact CD1-CD 3.37Å; I503-K544 HydrophobicContact CD1-CG 3.65Å; I503-K544 HydrophobicContact CG1-CD 3.67Å; I503-K544 HydrophobicContact CG1-CG 4.46Å; Y509-K544 HydrophobicContact CE2-CB 4.25Å; Y509-K544 HydrophobicContact CE2-CG 4.34Å; K544-D546 PolarHBondContact O-N 2.77Å; K544-F547 PolarHBondContact O-N 2.8Å; K544-Y548 HydrophobicContact CG-CD2 4.24Å; K544-Y548 PolarHBondContact O-N 2.76Å; K544-Y548 VanDerWaalsContact O-N 3.11Å; K544-E550 WeakPolarHBondContact CD-OE1 3.14Å; K544-E550 IonicContact NZ-OE1 2.73Å; K544-E550 PolarHBondContact NZ-OE1 2.8Å
545	S	59.6	Low	57.6	Low	51 Å²	51	66.1 Å²	66.1	36%	0.357	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.6	-20	175	59.9	0	0	0	0	113.7	K543 F547 Y548	K543-S545 VanDerWaalsContact CB-OG 3.3Å; K543-S545 WeakPolarHBondContact CB-OG 3.46Å; K543-S545 PolarHBondContact O-N 2.68Å; S545-F547 PolarHBondContact O-N 2.77Å; S545-Y548 CarbonylContact C-O 3.42Å; S545-Y548 WeakPolarHBondContact CA-O 3.41Å
546	D	55.1	Low	55.3	Low	31 Å²	31	68.5 Å²	68.5	17%	0.166	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-76	-15.5	178.2	-57.2	-18.1	0	0	0	111.5	P469 Q471 K543 K544	P469-D546 HydrophobicContact CB-CB 4.26Å; P469-D546 HydrophobicContact CG-CB 3.93Å; Q471-D546 WeakPolarHBondContact CG-O 3.32Å; K543-D546 PolarHBondContact N-OD2 3.12Å; K543-D546 VanDerWaalsContact O-CB 3.28Å; K543-D546 WeakPolarHBondContact O-CB 3.39Å; K543-D546 PolarHBondContact O-N 2.99Å; K544-D546 PolarHBondContact O-N 2.77Å
547	F	52.4	Low	52.8	Low	3 Å²	3	73.9 Å²	73.9	1%	0.013	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-28.9	175.8	-63.9	-74.4	0	0	0	113.2	L450 P451 W452 P469 K472 F511 C542 K544 S545	L450-F547 HydrophobicContact CB-CD1 4.34Å; L450-F547 HydrophobicContact CB-CE1 3.98Å; L450-F547 HydrophobicContact CB-CZ 4.43Å; L450-F547 HydrophobicContact CD1-CE2 4.39Å; L450-F547 HydrophobicContact CD1-CZ 4.2Å; L450-F547 HydrophobicContact CD2-CD1 4.49Å; L450-F547 HydrophobicContact CD2-CG 4.49Å; P451-F547 HydrophobicContact CG-CD1 4.36Å; P451-F547 WeakPolarHBondContact O-CE1 3.17Å; W452-F547 HydrophobicContact CH2-CZ 4.13Å; W452-F547 HydrophobicContact CZ2-CE1 4.36Å; W452-F547 AromaticContact CZ2-CZ 3.81Å; W452-F547 HydrophobicContact CZ2-CZ 3.81Å; P469-F547 HydrophobicContact CB-CD1 4Å; P469-F547 HydrophobicContact CB-CE1 3.42Å; P469-F547 VanDerWaalsContact CB-CE1 3.42Å; P469-F547 HydrophobicContact CB-CE2 4.21Å; P469-F547 HydrophobicContact CB-CZ 3.55Å; K472-F547 WeakPolarHBondContact CB-O 3.49Å; K472-F547 PolarHBondContact N-O 2.89Å; F511-F547 HydrophobicContact CE2-CE2 4.2Å; F511-F547 HydrophobicContact CE2-CZ 4.25Å; F511-F547 HydrophobicContact CZ-CE2 4.39Å; F511-F547 HydrophobicContact CZ-CZ 4.35Å; C542-F547 HydrophobicContact CB-CE2 3.71Å; C542-F547 HydrophobicContact CB-CZ 4.21Å; K544-F547 PolarHBondContact O-N 2.8Å; S545-F547 PolarHBondContact O-N 2.77Å
548	Y	53.1	Low	50	Low	98 Å²	98	79.9 Å²	79.9	38%	0.384	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-130.2	137.1	-173.5	-58.5	-85.6	0	0	0	111.4	K472 K544 S545 E550	K472-Y548 HydrophobicContact CD-CD1 4.18Å; K472-Y548 HydrophobicContact CD-CE1 3.92Å; K544-Y548 HydrophobicContact CG-CD2 4.24Å; K544-Y548 PolarHBondContact O-N 2.76Å; K544-Y548 VanDerWaalsContact O-N 3.11Å; S545-Y548 CarbonylContact C-O 3.42Å; S545-Y548 WeakPolarHBondContact CA-O 3.41Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.1Å
549	N	46.2	Very low	47.3	Very low	76 Å²	76	87.4 Å²	87.4	41%	0.406	44%	0.439	S	S	.	.			trans	-69	84.6	169.9	-87.1	-22.9	0	0	0	110.8	S551	N549-S551 VanDerWaalsContact C-N 3.31Å; N549-S551 PolarHBondContact O-N 2.88Å
550	E	38.2	Very low	44.6	Very low	73 Å²	73	86.8 Å²	86.8	34%	0.341	45%	0.445	S	S	.	.			trans	-71.8	96.6	156.4	-80.3	-174.5	-172.2	0	0	107.3	K544 Y548 L552	K544-E550 WeakPolarHBondContact CD-OE1 3.14Å; K544-E550 IonicContact NZ-OE1 2.73Å; K544-E550 PolarHBondContact NZ-OE1 2.8Å; Y548-E550 VanDerWaalsContact C-N 3.31Å; Y548-E550 PolarHBondContact O-N 3.1Å; E550-L552 PolarHBondContact O-N 3Å
551	S	33.9	Very low	41.9	Very low	71 Å²	71	91 Å²	91	50%	0.497	49%	0.489	S	S	.	.			trans	-58.4	89.5	169.4	47.3	0	0	0	0	109.4	R500 N549 S553	R500-S551 PolarHBondContact NH1-OG 3.06Å; N549-S551 VanDerWaalsContact C-N 3.31Å; N549-S551 PolarHBondContact O-N 2.88Å; S551-S553 PolarHBondContact O-N 3.2Å
552	L	34.3	Very low	39.5	Very low	161 Å²	161	96 Å²	96	84%	0.843	51%	0.512	S	S	*	.			trans	-61.7	83.2	155.6	-78.5	158	0	0	0	105.9	E550 P554	E550-L552 PolarHBondContact O-N 3Å; L552-P554 WeakPolarHBondContact O-CD 3.25Å
553	S	24.9	Very low	37.3	Very low	87 Å²	87	103.2 Å²	103.2	61%	0.608	55%	0.55	S	S	*	*			trans	-55	112.9	172.1	51.7	0	0	0	0	108.2	S551 N555	S551-S553 PolarHBondContact O-N 3.2Å; S553-N555 PolarHBondContact O-N 3.23Å
554	P	27.6	Very low	35.3	Very low	112 Å²	112	106.4 Å²	106.4	73%	0.727	57%	0.573	S	S	*	*			trans	-75.9	-7.1	179.7	-11.9	29.3	0	0	0	112.4	L552	L552-P554 WeakPolarHBondContact O-CD 3.25Å
555	N	25.8	Very low	33.6	Very low	134 Å²	134	107.7 Å²	107.7	72%	0.717	59%	0.585	S	S	*	*	S	Bend	trans	-109.6	36.8	-156.7	-84.4	-0.6	0	0	0	116.9	S553	S553-N555 PolarHBondContact O-N 3.23Å
556	R	25	Very low	32.3	Very low	229 Å²	229	110.8 Å²	110.8	86%	0.864	59%	0.594	S	S	*	*	S	Bend	trans	-136.8	3.6	163.5	-119.2	-175.4	-138.8	176.4	6.6	118.2
557	F	27.5	Very low	31.3	Very low	187 Å²	187	113.2 Å²	113.2	82%	0.82	61%	0.607	S	S	*	*			trans	-110.3	54	170.1	-62.1	-71.2	0	0	0	111
558	Q	24.8	Very low	30.6	Very low	155 Å²	155	116 Å²	116	72%	0.724	62%	0.623	S	S	*	*			trans	-97.1	15.9	164.6	-82.2	-165.4	-1.5	0	0	112.8
559	H	26.2	Very low	30	Very low	172 Å²	172	112.2 Å²	112.2	80%	0.796	61%	0.609	S	S	*	*	S	Bend	trans	-145.3	107.5	172.1	-66.9	-62.4	0	0	0	111.3
560	S	24.4	Very low	29.7	Very low	85 Å²	85	110.1 Å²	110.1	59%	0.594	60%	0.598	S	S	*	*			trans	127.4	119.8	161.1	66.8	0	0	0	0	110.2	I562	S560-I562 PolarHBondContact O-N 3.22Å
561	G	23.2	Very low	29.6	Very low	89 Å²	89	108.5 Å²	108.5	92%	0.918	59%	0.591	S	S	*	*			trans	-68.5	43.7	176	0	0	0	0	0	113	N563	G561-N563 PolarHBondContact O-N 3.1Å
562	I	24.9	Very low	29.6	Very low	124 Å²	124	107.4 Å²	107.4	64%	0.636	58%	0.579	S	S	*	*			trans	-85.4	97.2	170.3	-55.4	173.8	0	0	0	104.5	S560 V564	S560-I562 PolarHBondContact O-N 3.22Å; I562-V564 VanDerWaalsContact C-N 3.29Å; I562-V564 PolarHBondContact O-N 2.96Å
563	N	23.9	Very low	29.9	Very low	150 Å²	150	100 Å²	100	80%	0.802	54%	0.54	S	S	*	.			trans	-42.6	102.8	158.4	-80	-37.1	0	0	0	106.9	G561 P565	G561-N563 PolarHBondContact O-N 3.1Å; N563-P565 WeakPolarHBondContact O-CD 3.28Å
564	V	26.3	Very low	30.7	Very low	106 Å²	106	96.4 Å²	96.4	64%	0.642	51%	0.514	S	S	*	.			trans	-61.2	107.3	170.5	179.2	0	0	0	0	103.4	I562 Q566	I562-V564 VanDerWaalsContact C-N 3.29Å; I562-V564 PolarHBondContact O-N 2.96Å; V564-Q566 PolarHBondContact O-N 3.23Å; V564-Q566 VanDerWaalsContact O-N 3.12Å
565	P	28.1	Very low	31.3	Very low	67 Å²	67	100.9 Å²	100.9	44%	0.435	52%	0.517	S	S	.	.			trans	-56.7	129.2	178.9	-15.5	30	0	0	0	104.5	N563 N567	N563-P565 WeakPolarHBondContact O-CD 3.28Å; P565-N567 WeakPolarHBondContact O-CA 3.42Å; P565-N567 PolarHBondContact O-N 3.11Å; P565-N567 PolarHBondContact O-OD1 3.02Å; P565-N567 VanDerWaalsContact O-OD1 3.11Å
566	Q	33.4	Very low	32.1	Very low	116 Å²	116	98.9 Å²	98.9	54%	0.542	51%	0.506	S	S	.	.			trans	-57.5	100.5	167.2	-74.9	-178.6	-10.4	0	0	104.9	V564 N568	V564-Q566 PolarHBondContact O-N 3.23Å; V564-Q566 VanDerWaalsContact O-N 3.12Å; Q566-N568 PolarHBondContact O-N 2.84Å
567	N	33.4	Very low	33.2	Very low	83 Å²	83	88.4 Å²	88.4	44%	0.444	47%	0.467	S	S	.	.			trans	-59.4	106.6	-160.3	-75.5	-34.2	0	0	0	107.8	P565 L569 L572	P565-N567 WeakPolarHBondContact O-CA 3.42Å; P565-N567 PolarHBondContact O-N 3.11Å; P565-N567 PolarHBondContact O-OD1 3.02Å; P565-N567 VanDerWaalsContact O-OD1 3.11Å; N567-L569 PolarHBondContact O-N 2.95Å; N567-L572 HydrophobicContact CB-CD1 3.76Å; N567-L572 WeakPolarHBondContact ND2-CD1 3.4Å
568	N	37.8	Very low	34.2	Very low	62 Å²	62	80.6 Å²	80.6	33%	0.332	44%	0.435	S	S	.	.			trans	-51.5	119.3	165.7	-93.7	-23.9	0	0	0	105.9	Q566 N570 I571 L572	Q566-N568 PolarHBondContact O-N 2.84Å; N568-N570 PolarHBondContact O-N 2.82Å; N568-I571 HydrophobicContact CB-CD1 4.4Å; N568-I571 HydrophobicContact CB-CG1 4.37Å; N568-I571 WeakPolarHBondContact O-CA 3.41Å; N568-I571 WeakPolarHBondContact O-CB 3.12Å; N568-I571 PolarHBondContact O-N 2.87Å; N568-L572 PolarHBondContact O-N 2.79Å
569	L	39.7	Very low	35.7	Very low	18 Å²	18	82 Å²	82	9%	0.094	44%	0.439	C	S	.	.	H	α-helix	trans	-57.1	-21.5	-177.8	-108.9	154	0	0	0	111.5	P504 N567 I571 L572 L573 Y658	P504-L569 HydrophobicContact CB-CD1 4.41Å; P504-L569 HydrophobicContact CB-CD2 4.11Å; N567-L569 PolarHBondContact O-N 2.95Å; L569-I571 PolarHBondContact O-N 2.66Å; L569-L572 HydrophobicContact CD2-CB 4.23Å; L569-L572 HydrophobicContact CD2-CD2 4.5Å; L569-L572 PolarHBondContact O-N 2.68Å; L569-L572 VanDerWaalsContact O-N 3.09Å; L569-L573 HydrophobicContact CB-CD1 4.08Å; L569-L573 HydrophobicContact CB-CG 4.25Å; L569-L573 HydrophobicContact CD2-CD1 4.17Å; L569-L573 HydrophobicContact CD2-CD2 3.69Å; L569-L573 HydrophobicContact CD2-CG 3.56Å; L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 WeakPolarHBondContact O-CD1 3.11Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.88Å; L569-Y658 HydrophobicContact CD1-CD2 4.24Å; L569-Y658 HydrophobicContact CD1-CE2 3.19Å; L569-Y658 VanDerWaalsContact CD1-OH 3.28Å; L569-Y658 WeakPolarHBondContact CD1-OH 3.49Å
570	N	39.9	Very low	37.2	Very low	32 Å²	32	81.2 Å²	81.2	17%	0.171	43%	0.43	C	S	.	.	H	α-helix	trans	-47.9	-50.1	165.3	-67.5	-6.2	0	0	0	110.9	L57 N568 L572 I574	L57-N570 WeakPolarHBondContact CD2-OD1 3.24Å; N568-N570 PolarHBondContact O-N 2.82Å; N570-L572 PolarHBondContact O-N 2.96Å; N570-I574 WeakPolarHBondContact O-CB 3.47Å; N570-I574 WeakPolarHBondContact O-CD1 3.41Å; N570-I574 WeakPolarHBondContact O-CG1 3.46Å; N570-I574 PolarHBondContact O-N 2.88Å
571	I	37.2	Very low	38.4	Very low	38 Å²	38	78 Å²	78	20%	0.195	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-42.1	177.9	-54.3	175.9	0	0	0	111.7	N568 L569 R575 C594	N568-I571 HydrophobicContact CB-CD1 4.4Å; N568-I571 HydrophobicContact CB-CG1 4.37Å; N568-I571 WeakPolarHBondContact O-CA 3.41Å; N568-I571 WeakPolarHBondContact O-CB 3.12Å; N568-I571 PolarHBondContact O-N 2.87Å; L569-I571 PolarHBondContact O-N 2.66Å; I571-R575 WeakPolarHBondContact O-CB 3.3Å; I571-R575 PolarHBondContact O-N 2.81Å; I571-C594 WeakPolarHBondContact CD1-O 3.45Å; I571-C594 HydrophobicContact CG1-CB 4.11Å; I571-C594 HydrophobicContact CG2-CB 4.33Å
572	L	33.7	Very low	40.1	Very low	49 Å²	49	75.3 Å²	75.3	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-77.4	-37.7	-173.8	-146.4	127.7	0	0	0	112.5	I32 P504 N567 N568 L569 N570 N576	I32-L572 WeakPolarHBondContact CD1-O 3.47Å; P504-L572 HydrophobicContact CB-CD2 4.5Å; P504-L572 HydrophobicContact CG-CD2 4.5Å; N567-L572 HydrophobicContact CB-CD1 3.76Å; N567-L572 WeakPolarHBondContact ND2-CD1 3.4Å; N568-L572 PolarHBondContact O-N 2.79Å; L569-L572 HydrophobicContact CD2-CB 4.23Å; L569-L572 HydrophobicContact CD2-CD2 4.5Å; L569-L572 PolarHBondContact O-N 2.68Å; L569-L572 VanDerWaalsContact O-N 3.09Å; N570-L572 PolarHBondContact O-N 2.96Å; L572-N576 PolarHBondContact O-N 2.8Å; L572-N576 PolarHBondContact O-ND2 2.65Å
573	L	39.7	Very low	41.7	Very low	6 Å²	6	73.3 Å²	73.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-40.9	172.6	-60.5	160.8	0	0	0	110.4	I32 F34 L57 L569 N576 L577	I32-L573 HydrophobicContact CG2-CB 3.95Å; I32-L573 HydrophobicContact CG2-CD2 3.29Å; I32-L573 HydrophobicContact CG2-CG 4.16Å; F34-L573 HydrophobicContact CE1-CB 4.3Å; L57-L573 HydrophobicContact CD1-CD1 3.48Å; L57-L573 VanDerWaalsContact CD1-CD1 3.48Å; L57-L573 HydrophobicContact CD2-CD1 3.53Å; L57-L573 HydrophobicContact CG-CD1 4.13Å; L569-L573 HydrophobicContact CB-CD1 4.08Å; L569-L573 HydrophobicContact CB-CG 4.25Å; L569-L573 HydrophobicContact CD2-CD1 4.17Å; L569-L573 HydrophobicContact CD2-CD2 3.69Å; L569-L573 HydrophobicContact CD2-CG 3.56Å; L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 WeakPolarHBondContact O-CD1 3.11Å; L569-L573 WeakPolarHBondContact O-CG 3.14Å; L569-L573 PolarHBondContact O-N 2.88Å; L573-N576 CarbonylContact O-C 3.53Å; L573-L577 PolarHBondContact O-N 2.95Å
574	I	43.2	Very low	43	Very low	11 Å²	11	73.8 Å²	73.8	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-44.7	176.1	-73	166.2	0	0	0	110.7	H59 N570 N576 L577 L590 L593 C594	H59-I574 WeakPolarHBondContact NE2-CD1 3.43Å; H59-I574 WeakPolarHBondContact NE2-CG1 3.35Å; N570-I574 WeakPolarHBondContact O-CB 3.47Å; N570-I574 WeakPolarHBondContact O-CD1 3.41Å; N570-I574 WeakPolarHBondContact O-CG1 3.46Å; N570-I574 PolarHBondContact O-N 2.88Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.93Å; I574-L577 VanDerWaalsContact O-CB 3.26Å; I574-L577 WeakPolarHBondContact O-CB 3.27Å; I574-L577 PolarHBondContact O-N 3.07Å; I574-L590 HydrophobicContact CB-CD2 4.46Å; I574-L590 HydrophobicContact CG1-CD2 4.12Å; I574-L590 HydrophobicContact CG2-CB 3.59Å; I574-L590 HydrophobicContact CG2-CD1 4.29Å; I574-L590 HydrophobicContact CG2-CD2 3.73Å; I574-L590 HydrophobicContact CG2-CG 4.06Å; I574-L593 HydrophobicContact CD1-CB 3.86Å; I574-C594 WeakPolarHBondContact CG2-SG 3.47Å
575	R	40	Very low	44.2	Very low	206 Å²	206	75.7 Å²	75.7	78%	0.777	37%	0.366	S	S	*	.	H	α-helix	trans	-63.7	-37.2	-178.9	-101.7	-173.3	171	171.8	-1.2	113.5	I571	I571-R575 WeakPolarHBondContact O-CB 3.3Å; I571-R575 PolarHBondContact O-N 2.81Å
576	N	42.7	Very low	45.3	Very low	91 Å²	91	74.3 Å²	74.3	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	25.7	176.7	-31.5	-65.6	0	0	0	112.6	I32 L572 L573 I574 P578	I32-N576 HydrophobicContact CD1-CB 3.47Å; I32-N576 VanDerWaalsContact CD1-CB 3.47Å; I32-N576 VanDerWaalsContact CD1-ND2 3.31Å; I32-N576 WeakPolarHBondContact CD1-ND2 3.37Å; I32-N576 HydrophobicContact CG1-CB 3.93Å; L572-N576 PolarHBondContact O-N 2.8Å; L572-N576 PolarHBondContact O-ND2 2.65Å; L573-N576 CarbonylContact O-C 3.53Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.93Å; N576-P578 VanDerWaalsContact O-CD 3.23Å; N576-P578 WeakPolarHBondContact O-CD 3.38Å; N576-P578 VanDerWaalsContact O-N 3.17Å
577	L	47.5	Very low	46.1	Very low	10 Å²	10	71.9 Å²	71.9	5%	0.052	36%	0.355	C	S	.	.			trans	-58.7	118.6	168.3	-166.3	73.6	0	0	0	107.4	F34 V65 L573 I574 K579 L582 L590	F34-L577 HydrophobicContact CD1-CD1 4.02Å; F34-L577 HydrophobicContact CE1-CD1 3.17Å; F34-L577 HydrophobicContact CE1-CG 4.48Å; F34-L577 HydrophobicContact CE2-CD1 3.82Å; F34-L577 HydrophobicContact CZ-CD1 3.07Å; F34-L577 HydrophobicContact CZ-CG 4.19Å; V65-L577 HydrophobicContact CG1-CD1 4.14Å; V65-L577 HydrophobicContact CG1-CD2 4.29Å; L573-L577 PolarHBondContact O-N 2.95Å; I574-L577 VanDerWaalsContact O-CB 3.26Å; I574-L577 WeakPolarHBondContact O-CB 3.27Å; I574-L577 PolarHBondContact O-N 3.07Å; L577-K579 PolarHBondContact O-N 2.85Å; L577-K579 VanDerWaalsContact O-N 3.13Å; L577-L582 HydrophobicContact CD2-CD1 3.74Å; L577-L582 HydrophobicContact CD2-CD2 3.38Å; L577-L582 HydrophobicContact CD2-CG 3.31Å; L577-L582 HydrophobicContact CG-CD1 4.39Å; L577-L582 HydrophobicContact CG-CG 4.17Å; L577-L590 HydrophobicContact CD2-CD1 3.99Å; L577-L590 HydrophobicContact CD2-CD2 3.98Å
578	P	49.5	Very low	46.9	Very low	22 Å²	22	75.9 Å²	75.9	14%	0.143	37%	0.371	C	S	.	.			trans	-56.8	125.8	176.8	-21.3	29.6	0	0	0	109.2	N576 Y580 L581	N576-P578 VanDerWaalsContact O-CD 3.23Å; N576-P578 WeakPolarHBondContact O-CD 3.38Å; N576-P578 VanDerWaalsContact O-N 3.17Å; P578-Y580 HydrophobicContact CB-CD1 3.46Å; P578-Y580 VanDerWaalsContact CB-CD1 3.46Å; P578-Y580 HydrophobicContact CB-CE1 3.09Å; P578-Y580 HydrophobicContact CB-CE2 4.42Å; P578-Y580 HydrophobicContact CB-CG 4.27Å; P578-Y580 HydrophobicContact CG-CE1 3.95Å; P578-Y580 PolarHBondContact O-N 3.49Å; P578-L581 HydrophobicContact CB-CG 4.49Å; P578-L581 HydrophobicContact CG-CD1 4.15Å; P578-L581 PolarHBondContact O-N 2.79Å
579	K	54.5	Low	47.4	Very low	185 Å²	185	77.5 Å²	77.5	80%	0.804	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55	-25.6	-174.6	-68.2	-176.2	179.5	179.8	0	113	L577 L581 L582	L577-K579 PolarHBondContact O-N 2.85Å; L577-K579 VanDerWaalsContact O-N 3.13Å; K579-L581 VanDerWaalsContact C-N 3.3Å; K579-L581 PolarHBondContact O-N 2.86Å; K579-L582 PolarHBondContact O-N 3.12Å
580	Y	57.4	Low	47.6	Very low	155 Å²	155	77.1 Å²	77.1	61%	0.608	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-71.2	-17.9	177.7	70.7	-100.7	0	0	0	114.5	P578	P578-Y580 HydrophobicContact CB-CD1 3.46Å; P578-Y580 VanDerWaalsContact CB-CD1 3.46Å; P578-Y580 HydrophobicContact CB-CE1 3.09Å; P578-Y580 HydrophobicContact CB-CE2 4.42Å; P578-Y580 HydrophobicContact CB-CG 4.27Å; P578-Y580 HydrophobicContact CG-CE1 3.95Å; P578-Y580 PolarHBondContact O-N 3.49Å
581	L	51.7	Low	47.9	Very low	19 Å²	19	82 Å²	82	10%	0.099	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-84.9	-18	176	-68.7	178.8	0	0	0	112.6	F34 V65 Y67 P578 K579	F34-L581 HydrophobicContact CD2-CD1 4.07Å; F34-L581 HydrophobicContact CE2-CD1 3.46Å; F34-L581 VanDerWaalsContact CE2-CD1 3.46Å; F34-L581 HydrophobicContact CZ-CD1 4.36Å; V65-L581 HydrophobicContact CG1-CB 4.01Å; V65-L581 WeakPolarHBondContact CG1-O 3.22Å; Y67-L581 HydrophobicContact CE1-CD2 3.85Å; Y67-L581 HydrophobicContact CE2-CD2 3.81Å; Y67-L581 WeakPolarHBondContact OH-CD2 3.33Å; P578-L581 HydrophobicContact CB-CG 4.49Å; P578-L581 HydrophobicContact CG-CD1 4.15Å; P578-L581 PolarHBondContact O-N 2.79Å; K579-L581 VanDerWaalsContact C-N 3.3Å; K579-L581 PolarHBondContact O-N 2.86Å
582	L	57	Low	48.1	Very low	31 Å²	31	83.3 Å²	83.3	16%	0.162	41%	0.412	C	S	.	.	S	Bend	trans	-79.8	143.5	-176.2	-83.7	160.1	0	0	0	112.4	L577 K579 L590	L577-L582 HydrophobicContact CD2-CD1 3.74Å; L577-L582 HydrophobicContact CD2-CD2 3.38Å; L577-L582 HydrophobicContact CD2-CG 3.31Å; L577-L582 HydrophobicContact CG-CD1 4.39Å; L577-L582 HydrophobicContact CG-CG 4.17Å; K579-L582 PolarHBondContact O-N 3.12Å; L582-L590 HydrophobicContact CD1-CD1 3.66Å; L582-L590 HydrophobicContact CD2-CD1 3.35Å; L582-L590 HydrophobicContact CD2-CD2 4.28Å; L582-L590 HydrophobicContact CD2-CG 4Å; L582-L590 HydrophobicContact CG-CD1 4.07Å
583	K	59.6	Low	48.4	Very low	82 Å²	82	83.1 Å²	83.1	36%	0.357	41%	0.41	S	S	.	.			trans	-68.5	130.9	156.6	-69.7	175.6	179.6	166.8	0	108.4	G63 L64 N66 N585 D586	G63-K583 WeakPolarHBondContact O-CE 3.28Å; G63-K583 PolarHBondContact O-NZ 2.63Å; L64-K583 PolarHBondContact O-N 3.05Å; N66-K583 VanDerWaalsContact OD1-CE 3.26Å; N66-K583 WeakPolarHBondContact OD1-CE 3.4Å; K583-N585 PolarHBondContact O-N 3.48Å; K583-D586 WeakPolarHBondContact CB-OD2 3Å; K583-D586 PolarHBondContact O-N 3.39Å; K583-D586 VanDerWaalsContact O-N 3.13Å
584	N	52.1	Low	48.4	Very low	160 Å²	160	83.8 Å²	83.8	86%	0.856	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-5.7	-167.7	-72.4	-22.6	0	0	0	116.3
585	N	51.1	Low	48.1	Very low	147 Å²	147	89.3 Å²	89.3	79%	0.786	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-1.1	-177.4	-66.1	-11.2	0	0	0	114.9	K583	K583-N585 PolarHBondContact O-N 3.48Å
586	D	50.6	Low	47.7	Very low	37 Å²	37	83.4 Å²	83.4	20%	0.198	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	10.8	-169.2	-65.9	-23.9	0	0	0	114.5	L64 K583 E588 L589 L590	L64-D586 HydrophobicContact CD2-CB 3.85Å; K583-D586 WeakPolarHBondContact CB-OD2 3Å; K583-D586 PolarHBondContact O-N 3.39Å; K583-D586 VanDerWaalsContact O-N 3.13Å; D586-E588 PolarHBondContact O-N 3.19Å; D586-L589 PolarHBondContact O-N 3.43Å; D586-L589 VanDerWaalsContact O-N 3.15Å; D586-L590 PolarHBondContact O-N 3.26Å
587	A	51.1	Low	47.2	Very low	66 Å²	66	83.3 Å²	83.3	55%	0.545	44%	0.438	S	S	.	.	H	α-helix	trans	-60	-30.8	179.1	0	0	0	0	0	113	L590 Q591	A587-L590 WeakPolarHBondContact O-CB 3.41Å; A587-Q591 PolarHBondContact O-N 3.31Å
588	E	49.7	Very low	46.2	Very low	166 Å²	166	88.3 Å²	88.3	78%	0.776	47%	0.469	S	S	*	.	H	α-helix	trans	-73.6	-38.9	175.8	-67.2	-173.8	169.9	0	0	112.3	D586 L590 Q591 S592	D586-E588 PolarHBondContact O-N 3.19Å; E588-L590 VanDerWaalsContact C-N 3.3Å; E588-L590 PolarHBondContact O-N 3.28Å; E588-Q591 PolarHBondContact O-N 3.3Å; E588-Q591 VanDerWaalsContact O-N 3.1Å; E588-S592 PolarHBondContact O-N 2.9Å
589	L	48.2	Very low	45.1	Very low	96 Å²	96	94.2 Å²	94.2	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-36.9	174.6	-101.2	161.8	0	0	0	111.6	L64 D586 Q591 S592 L593	L64-L589 HydrophobicContact CD2-CB 4.22Å; D586-L589 PolarHBondContact O-N 3.43Å; D586-L589 VanDerWaalsContact O-N 3.15Å; L589-Q591 VanDerWaalsContact C-N 3.3Å; L589-Q591 PolarHBondContact O-N 2.93Å; L589-S592 WeakPolarHBondContact O-CB 3.05Å; L589-S592 PolarHBondContact O-N 2.98Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 2.81Å
590	L	43.5	Very low	43.9	Very low	11 Å²	11	92.9 Å²	92.9	6%	0.058	50%	0.498	C	S	.	.	H	α-helix	trans	-58.9	-41	171	-74.4	175.8	0	0	0	112.1	L64 I574 L577 L582 D586 A587 E588 L593 C594	L64-L590 HydrophobicContact CD1-CD2 3.63Å; I574-L590 HydrophobicContact CB-CD2 4.46Å; I574-L590 HydrophobicContact CG1-CD2 4.12Å; I574-L590 HydrophobicContact CG2-CB 3.59Å; I574-L590 HydrophobicContact CG2-CD1 4.29Å; I574-L590 HydrophobicContact CG2-CD2 3.73Å; I574-L590 HydrophobicContact CG2-CG 4.06Å; L577-L590 HydrophobicContact CD2-CD1 3.99Å; L577-L590 HydrophobicContact CD2-CD2 3.98Å; L582-L590 HydrophobicContact CD1-CD1 3.66Å; L582-L590 HydrophobicContact CD2-CD1 3.35Å; L582-L590 HydrophobicContact CD2-CD2 4.28Å; L582-L590 HydrophobicContact CD2-CG 4Å; L582-L590 HydrophobicContact CG-CD1 4.07Å; D586-L590 PolarHBondContact O-N 3.26Å; A587-L590 WeakPolarHBondContact O-CB 3.41Å; E588-L590 VanDerWaalsContact C-N 3.3Å; E588-L590 PolarHBondContact O-N 3.28Å; L590-L593 PolarHBondContact O-N 2.88Å; L590-C594 PolarHBondContact O-N 3.03Å; L590-C594 PolarHBondContact O-SG 2.69Å
591	Q	45.8	Very low	42.6	Very low	133 Å²	133	88.4 Å²	88.4	62%	0.621	48%	0.484	S	S	*	.	H	α-helix	trans	-71.5	-34.4	179.4	-163.4	147.2	9.4	0	0	111.7	A587 E588 L589 C594 N595	A587-Q591 PolarHBondContact O-N 3.31Å; E588-Q591 PolarHBondContact O-N 3.3Å; E588-Q591 VanDerWaalsContact O-N 3.1Å; L589-Q591 VanDerWaalsContact C-N 3.3Å; L589-Q591 PolarHBondContact O-N 2.93Å; Q591-C594 WeakPolarHBondContact O-CB 3.11Å; Q591-C594 PolarHBondContact O-N 3.33Å; Q591-N595 VanDerWaalsContact O-CG 3.23Å; Q591-N595 PolarHBondContact O-N 3.11Å; Q591-N595 PolarHBondContact O-ND2 2.91Å
592	S	42.6	Very low	41.4	Very low	67 Å²	67	89.2 Å²	89.2	47%	0.469	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-48.6	169.3	169.7	0	0	0	0	111.9	E588 L589 C594 N595 T596	E588-S592 PolarHBondContact O-N 2.9Å; L589-S592 WeakPolarHBondContact O-CB 3.05Å; L589-S592 PolarHBondContact O-N 2.98Å; S592-C594 VanDerWaalsContact C-N 3.28Å; S592-C594 PolarHBondContact O-N 2.84Å; S592-N595 PolarHBondContact O-N 3.03Å; S592-T596 PolarHBondContact O-N 3.29Å
593	L	39.3	Very low	40.2	Very low	44 Å²	44	92.6 Å²	92.6	23%	0.23	52%	0.515	C	S	.	.	H	α-helix	trans	-60.9	-36.7	177.1	-73.9	164.5	0	0	0	112.1	L64 I574 L589 L590 N595 T596	L64-L593 HydrophobicContact CD1-CD1 3.34Å; L64-L593 HydrophobicContact CG-CD1 4.47Å; I574-L593 HydrophobicContact CD1-CB 3.86Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 2.81Å; L590-L593 PolarHBondContact O-N 2.88Å; L593-N595 PolarHBondContact O-N 3Å; L593-T596 PolarHBondContact O-N 3.17Å; L593-T596 PolarHBondContact O-OG1 2.66Å
594	C	40.5	Very low	38.8	Very low	21 Å²	21	97.5 Å²	97.5	14%	0.142	54%	0.537	C	S	.	.	H	α-helix	trans	-61.4	-30.4	172.7	-66.9	0	0	0	0	113.4	I571 I574 L590 Q591 S592	I571-C594 WeakPolarHBondContact CD1-O 3.45Å; I571-C594 HydrophobicContact CG1-CB 4.11Å; I571-C594 HydrophobicContact CG2-CB 4.33Å; I574-C594 WeakPolarHBondContact CG2-SG 3.47Å; L590-C594 PolarHBondContact O-N 3.03Å; L590-C594 PolarHBondContact O-SG 2.69Å; Q591-C594 WeakPolarHBondContact O-CB 3.11Å; Q591-C594 PolarHBondContact O-N 3.33Å; S592-C594 VanDerWaalsContact C-N 3.28Å; S592-C594 PolarHBondContact O-N 2.84Å
595	N	36.5	Very low	38.1	Very low	126 Å²	126	93.9 Å²	93.9	67%	0.674	52%	0.517	S	S	*	.	H	α-helix	trans	-90.6	-7	-176	-65.8	-18.2	0	0	0	113.1	Q591 S592 L593 S597	Q591-N595 VanDerWaalsContact O-CG 3.23Å; Q591-N595 PolarHBondContact O-N 3.11Å; Q591-N595 PolarHBondContact O-ND2 2.91Å; S592-N595 PolarHBondContact O-N 3.03Å; L593-N595 PolarHBondContact O-N 3Å; N595-S597 PolarHBondContact O-N 2.83Å; N595-S597 VanDerWaalsContact O-N 3.09Å
596	T	30.7	Very low	37.3	Very low	83 Å²	83	88.7 Å²	88.7	51%	0.509	49%	0.492	S	S	.	.	S	Bend	trans	-72	104.8	177.9	55.9	0	0	0	0	111.5	S592 L593	S592-T596 PolarHBondContact O-N 3.29Å; L593-T596 PolarHBondContact O-N 3.17Å; L593-T596 PolarHBondContact O-OG1 2.66Å
597	S	32.3	Very low	36.6	Very low	88 Å²	88	91.9 Å²	91.9	62%	0.615	50%	0.504	S	S	*	.			trans	44.2	96.2	169.9	69.4	0	0	0	0	117.3	N595 M599	N595-S597 PolarHBondContact O-N 2.83Å; N595-S597 VanDerWaalsContact O-N 3.09Å; S597-M599 VanDerWaalsContact C-N 3.33Å; S597-M599 PolarHBondContact O-N 3.41Å
598	V	27.6	Very low	36	Very low	116 Å²	116	97 Å²	97	70%	0.703	51%	0.509	S	S	*	.			trans	-61.7	93.3	152.3	-179.3	0	0	0	0	107.8	D600	V598-D600 PolarHBondContact O-N 2.64Å
599	M	26.2	Very low	35.4	Very low	146 Å²	146	91.6 Å²	91.6	72%	0.719	49%	0.485	S	S	*	.			trans	-74.6	118.5	157.8	-78.5	-150.7	-153.8	0	0	107.5	S597 I601	S597-M599 VanDerWaalsContact C-N 3.33Å; S597-M599 PolarHBondContact O-N 3.41Å; M599-I601 HydrophobicContact CB-CG1 4.13Å; M599-I601 PolarHBondContact O-N 3.37Å
600	D	28.1	Very low	35	Very low	156 Å²	156	91.1 Å²	91.1	83%	0.834	48%	0.482	S	S	*	.			trans	-66.3	74.2	171	-168.5	13.8	0	0	0	109	V598 G602	V598-D600 PolarHBondContact O-N 2.64Å; D600-G602 PolarHBondContact O-N 2.59Å
601	I	30	Very low	34.9	Very low	61 Å²	61	98.5 Å²	98.5	31%	0.313	51%	0.51	S	S	.	.			trans	-74.1	90.5	175.8	-59.2	174.7	0	0	0	106.2	M599 N603	M599-I601 HydrophobicContact CB-CG1 4.13Å; M599-I601 PolarHBondContact O-N 3.37Å; I601-N603 PolarHBondContact O-N 3.07Å
602	G	27.8	Very low	34.7	Very low	36 Å²	36	98.3 Å²	98.3	37%	0.371	51%	0.507	S	S	.	.			trans	-44.2	135	-173.2	0	0	0	0	0	113.8	D600 K604 I605	D600-G602 PolarHBondContact O-N 2.59Å; G602-K604 PolarHBondContact O-N 3.23Å; G602-I605 PolarHBondContact O-N 2.87Å; G602-I605 VanDerWaalsContact O-N 3.12Å
603	N	30.5	Very low	34.6	Very low	102 Å²	102	95.9 Å²	95.9	55%	0.545	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-2.1	176.4	-149.1	-4.4	0	0	0	116.2	I601 K607	I601-N603 PolarHBondContact O-N 3.07Å; N603-K607 VanDerWaalsContact O-CD 3.31Å; N603-K607 WeakPolarHBondContact O-CD 3.25Å; N603-K607 VanDerWaalsContact O-CE 3.27Å; N603-K607 WeakPolarHBondContact O-CE 3.48Å; N603-K607 WeakPolarHBondContact O-CG 3.47Å
604	K	30.6	Very low	34.6	Very low	186 Å²	186	98.1 Å²	98.1	81%	0.809	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-28.2	175.8	-72.7	-177.5	178.4	176.2	0	113.3	G602	G602-K604 PolarHBondContact O-N 3.23Å
605	I	37.3	Very low	34.8	Very low	84 Å²	84	104.4 Å²	104.4	43%	0.431	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-36.8	-168.8	-55.3	176.1	0	0	0	112.6	G602 K607 R608 L609 Y663	G602-I605 PolarHBondContact O-N 2.87Å; G602-I605 VanDerWaalsContact O-N 3.12Å; I605-K607 PolarHBondContact O-N 2.96Å; I605-K607 VanDerWaalsContact O-N 3.15Å; I605-R608 WeakPolarHBondContact O-CB 3.48Å; I605-R608 PolarHBondContact O-N 3.47Å; I605-L609 PolarHBondContact O-N 2.84Å; I605-Y663 HydrophobicContact CG2-CE2 3.63Å
606	S	35.3	Very low	35.4	Very low	37 Å²	37	101.4 Å²	101.4	26%	0.259	51%	0.514	S	S	.	.	H	α-helix	trans	-54.8	-33.6	168	-49.6	0	0	0	0	110.5	R608 L609 L610	S606-R608 VanDerWaalsContact C-N 3.28Å; S606-R608 PolarHBondContact O-N 2.79Å; S606-L609 PolarHBondContact O-N 3.25Å; S606-L610 WeakPolarHBondContact O-CB 3.22Å; S606-L610 PolarHBondContact O-N 3.44Å
607	K	35.3	Very low	36.4	Very low	104 Å²	104	99.5 Å²	99.5	45%	0.452	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-26.4	172	-67.5	179.1	-176.2	-179.2	0	113.6	N603 I605 R611	N603-K607 VanDerWaalsContact O-CD 3.31Å; N603-K607 WeakPolarHBondContact O-CD 3.25Å; N603-K607 VanDerWaalsContact O-CE 3.27Å; N603-K607 WeakPolarHBondContact O-CE 3.48Å; N603-K607 WeakPolarHBondContact O-CG 3.47Å; I605-K607 PolarHBondContact O-N 2.96Å; I605-K607 VanDerWaalsContact O-N 3.15Å; K607-R611 WeakPolarHBondContact O-CA 3.45Å; K607-R611 WeakPolarHBondContact O-CB 3.37Å; K607-R611 WeakPolarHBondContact O-CD 3.36Å; K607-R611 WeakPolarHBondContact O-CG 3.44Å; K607-R611 PolarHBondContact O-N 2.8Å
608	R	38.1	Very low	37.9	Very low	175 Å²	175	98.3 Å²	98.3	66%	0.66	50%	0.496	S	S	*	.	H	α-helix	trans	-76.5	-43.4	178.9	-163.6	179.4	-172.4	171.8	1.8	111.8	I605 S606 R611 K612	I605-R608 WeakPolarHBondContact O-CB 3.48Å; I605-R608 PolarHBondContact O-N 3.47Å; S606-R608 VanDerWaalsContact C-N 3.28Å; S606-R608 PolarHBondContact O-N 2.79Å; R608-R611 PolarHBondContact O-N 2.98Å; R608-K612 PolarHBondContact O-N 3.41Å
609	L	38.3	Very low	40	Very low	51 Å²	51	94.4 Å²	94.4	27%	0.267	47%	0.472	S	S	.	.	H	α-helix	trans	-68.1	-42.6	171.7	-75.3	171.6	0	0	0	110.8	I605 S606 R611 K612 A613 I659	I605-L609 PolarHBondContact O-N 2.84Å; S606-L609 PolarHBondContact O-N 3.25Å; L609-R611 VanDerWaalsContact C-N 3.28Å; L609-R611 PolarHBondContact O-N 3.29Å; L609-K612 CarbonylContact O-C 3.52Å; L609-K612 WeakPolarHBondContact O-CB 3.02Å; L609-K612 PolarHBondContact O-N 2.85Å; L609-K612 VanDerWaalsContact O-N 3.16Å; L609-A613 WeakPolarHBondContact O-CB 3.35Å; L609-A613 PolarHBondContact O-N 3.14Å; L609-I659 HydrophobicContact CD1-CG2 4.23Å
610	L	39.6	Very low	42.7	Very low	86 Å²	86	90.8 Å²	90.8	45%	0.45	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-32.2	174.4	-151.6	80.9	0	0	0	111.6	K543 S606 N614	K543-L610 VanDerWaalsContact NZ-CD1 3.27Å; S606-L610 WeakPolarHBondContact O-CB 3.22Å; S606-L610 PolarHBondContact O-N 3.44Å; L610-N614 WeakPolarHBondContact O-CB 3.12Å; L610-N614 PolarHBondContact O-N 3.21Å; L610-N614 PolarHBondContact O-OD1 3.48Å; L610-N614 VanDerWaalsContact O-OD1 3.08Å
611	R	40	Very low	45.4	Very low	166 Å²	166	84.3 Å²	84.3	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-70	-40.6	171.2	-82.9	169.3	-172.9	-170.6	1.9	111.5	K607 R608 L609 N614 Q615	K607-R611 WeakPolarHBondContact O-CA 3.45Å; K607-R611 WeakPolarHBondContact O-CB 3.37Å; K607-R611 WeakPolarHBondContact O-CD 3.36Å; K607-R611 WeakPolarHBondContact O-CG 3.44Å; K607-R611 PolarHBondContact O-N 2.8Å; R608-R611 PolarHBondContact O-N 2.98Å; L609-R611 VanDerWaalsContact C-N 3.28Å; L609-R611 PolarHBondContact O-N 3.29Å; R611-N614 PolarHBondContact O-N 2.75Å; R611-Q615 VanDerWaalsContact O-CB 3.24Å; R611-Q615 WeakPolarHBondContact O-CB 3.43Å; R611-Q615 VanDerWaalsContact O-CG 3.25Å; R611-Q615 WeakPolarHBondContact O-CG 3.26Å; R611-Q615 PolarHBondContact O-N 3.41Å
612	K	42.1	Very low	48.1	Very low	129 Å²	129	82 Å²	82	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-60.1	-48.9	170.4	-84.3	-171.9	173.8	-176.1	0	110	R608 L609 N614 Q615 I616	R608-K612 PolarHBondContact O-N 3.41Å; L609-K612 CarbonylContact O-C 3.52Å; L609-K612 WeakPolarHBondContact O-CB 3.02Å; L609-K612 PolarHBondContact O-N 2.85Å; L609-K612 VanDerWaalsContact O-N 3.16Å; K612-N614 PolarHBondContact O-N 2.88Å; K612-Q615 CarbonylContact O-C 3.59Å; K612-Q615 PolarHBondContact O-N 3.29Å; K612-Q615 VanDerWaalsContact O-N 3.16Å; K612-I616 WeakPolarHBondContact O-CD1 3.25Å; K612-I616 WeakPolarHBondContact O-CG1 3.22Å; K612-I616 PolarHBondContact O-N 2.95Å
613	A	40.5	Very low	51	Low	17 Å²	17	80.3 Å²	80.3	14%	0.14	39%	0.392	C	S	.	.	H	α-helix	trans	-59.7	-43.7	176.4	0	0	0	0	0	112.5	L508 L609 Q615 I616 S617	L508-A613 HydrophobicContact CD1-CB 4.45Å; L609-A613 WeakPolarHBondContact O-CB 3.35Å; L609-A613 PolarHBondContact O-N 3.14Å; A613-Q615 VanDerWaalsContact C-N 3.33Å; A613-Q615 PolarHBondContact O-N 2.94Å; A613-I616 WeakPolarHBondContact O-CB 3.42Å; A613-I616 PolarHBondContact O-N 3.48Å; A613-S617 PolarHBondContact O-N 3.08Å
614	N	39.4	Very low	53.6	Low	90 Å²	90	82.2 Å²	82.2	48%	0.481	40%	0.397	S	S	.	.	H	α-helix	trans	-71.1	-27.9	177.3	-69.9	6.2	0	0	0	112.2	K543 L610 R611 K612 S617	K543-N614 PolarHBondContact NZ-OD1 3.4Å; L610-N614 WeakPolarHBondContact O-CB 3.12Å; L610-N614 PolarHBondContact O-N 3.21Å; L610-N614 PolarHBondContact O-OD1 3.48Å; L610-N614 VanDerWaalsContact O-OD1 3.08Å; R611-N614 PolarHBondContact O-N 2.75Å; K612-N614 PolarHBondContact O-N 2.88Å; N614-S617 PolarHBondContact O-OG 3.27Å
615	Q	45.1	Very low	56.1	Low	154 Å²	154	73.6 Å²	73.6	72%	0.72	36%	0.36	S	S	*	.	H	α-helix	trans	-74.6	-14.1	169.4	-78.5	177.1	-11	0	0	112.4	R611 K612 A613	R611-Q615 VanDerWaalsContact O-CB 3.24Å; R611-Q615 WeakPolarHBondContact O-CB 3.43Å; R611-Q615 VanDerWaalsContact O-CG 3.25Å; R611-Q615 WeakPolarHBondContact O-CG 3.26Å; R611-Q615 PolarHBondContact O-N 3.41Å; K612-Q615 CarbonylContact O-C 3.59Å; K612-Q615 PolarHBondContact O-N 3.29Å; K612-Q615 VanDerWaalsContact O-N 3.16Å; A613-Q615 VanDerWaalsContact C-N 3.33Å; A613-Q615 PolarHBondContact O-N 2.94Å
616	I	47.6	Very low	58.3	Low	62 Å²	62	71.9 Å²	71.9	32%	0.318	35%	0.353	S	S	.	.	S	Bend	trans	-92.2	-10.2	-179.6	-67.8	158.3	0	0	0	112.1	A541 K612 A613 S618 V619	A541-I616 HydrophobicContact CB-CG2 3.97Å; K612-I616 WeakPolarHBondContact O-CD1 3.25Å; K612-I616 WeakPolarHBondContact O-CG1 3.22Å; K612-I616 PolarHBondContact O-N 2.95Å; A613-I616 WeakPolarHBondContact O-CB 3.42Å; A613-I616 PolarHBondContact O-N 3.48Å; I616-S618 PolarHBondContact O-N 3.39Å; I616-S618 VanDerWaalsContact O-N 3.13Å; I616-V619 HydrophobicContact CG2-CG2 4.18Å; I616-V619 VanDerWaalsContact O-CG2 3.24Å; I616-V619 WeakPolarHBondContact O-CG2 3.43Å
617	S	53.2	Low	60.3	Low	44 Å²	44	71.2 Å²	71.2	31%	0.308	35%	0.348	S	S	.	.	S	Bend	trans	-60.7	-29.5	-175.6	65.1	0	0	0	0	113.4	P469 A613 N614	P469-S617 WeakPolarHBondContact CD-O 3.36Å; A613-S617 PolarHBondContact O-N 3.08Å; N614-S617 PolarHBondContact O-OG 3.27Å
618	S	62.7	Low	62.1	Low	63 Å²	63	72.6 Å²	72.6	44%	0.441	36%	0.356	S	S	.	.	S	Bend	trans	-112.7	112.2	169.3	62.3	0	0	0	0	110.6	I468 I616	I468-S618 VanDerWaalsContact CG1-CB 3.5Å; I616-S618 PolarHBondContact O-N 3.39Å; I616-S618 VanDerWaalsContact O-N 3.13Å
619	V	72.8	Confident	63.9	Low	33 Å²	33	67.6 Å²	67.6	20%	0.2	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125	170.1	-155.2	0	0	0	0	108.5	G466 L467 L538 I540 I616	G466-V619 VanDerWaalsContact CA-O 3.24Å; G466-V619 WeakPolarHBondContact CA-O 3.4Å; L467-V619 PolarHBondContact N-O 3.48Å; L538-V619 HydrophobicContact CD1-CB 3.88Å; L538-V619 HydrophobicContact CD1-CG1 3.28Å; L538-V619 HydrophobicContact CG-CB 4.4Å; L538-V619 HydrophobicContact CG-CG1 4.27Å; I540-V619 HydrophobicContact CB-CG2 4.44Å; I540-V619 HydrophobicContact CG1-CB 4.28Å; I540-V619 HydrophobicContact CG1-CG2 4.08Å; I540-V619 HydrophobicContact CG2-CG2 4.2Å; I616-V619 HydrophobicContact CG2-CG2 4.18Å; I616-V619 VanDerWaalsContact O-CG2 3.24Å; I616-V619 WeakPolarHBondContact O-CG2 3.43Å
620	Q	81.8	Confident	65.6	Low	71 Å²	71	65.4 Å²	65.4	33%	0.332	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.7	177.2	63.2	176.7	3.2	0	0	110.2	F455 N457 R464 V465	F455-Q620 HydrophobicContact CE2-CB 4.25Å; F455-Q620 HydrophobicContact CZ-CB 4.1Å; N457-Q620 PolarHBondContact ND2-OE1 3.3Å; N457-Q620 VanDerWaalsContact ND2-OE1 3.17Å; R464-Q620 HydrophobicContact CB-CB 4.45Å; V465-Q620 CarbonylContact O-C 3.59Å; V465-Q620 WeakPolarHBondContact O-CA 3.39Å
621	V	86.1	Confident	67.1	Low	19 Å²	19	63.9 Å²	63.9	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.5	-179.3	-176	0	0	0	0	108.8	R464 V465 P532 L538	R464-V621 CarbonylContact C-O 3.57Å; R464-V621 WeakPolarHBondContact CA-O 3.44Å; V465-V621 PolarHBondContact N-O 3.33Å; V465-V621 PolarHBondContact O-N 3.12Å; P532-V621 HydrophobicContact CB-CG1 3.31Å; L538-V621 HydrophobicContact CB-CG2 4.31Å; L538-V621 HydrophobicContact CD1-CG2 3.33Å; L538-V621 HydrophobicContact CD2-CG2 4.01Å; L538-V621 HydrophobicContact CG-CG2 4.09Å
622	A	86.6	Confident	68.4	Low	13 Å²	13	59.4 Å²	59.4	11%	0.107	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.6	172.5	0	0	0	0	0	109.3	L462 R464 V533	L462-A622 HydrophobicContact CB-CB 4.4Å; L462-A622 HydrophobicContact CD1-CB 4.38Å; R464-A622 HydrophobicContact CG-CB 4.2Å; V533-A622 HydrophobicContact CB-CB 4.41Å; V533-A622 PolarHBondContact N-O 3.13Å
623	M	87.2	Confident	69.3	Low	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	154.6	178.4	-53	-58	-86.8	0	0	109.5	A463 V465 L515 I517 I530 P532 I625	A463-M623 PolarHBondContact O-N 2.83Å; V465-M623 HydrophobicContact CB-CG 4.47Å; V465-M623 HydrophobicContact CB-SD 4.38Å; V465-M623 HydrophobicContact CG2-CE 4.4Å; V465-M623 HydrophobicContact CG2-CG 3.77Å; V465-M623 HydrophobicContact CG2-SD 4.15Å; L515-M623 HydrophobicContact CB-CE 4.48Å; I517-M623 HydrophobicContact CB-CE 4.45Å; I517-M623 HydrophobicContact CD1-CB 4.23Å; I517-M623 HydrophobicContact CD1-CE 3.77Å; I517-M623 HydrophobicContact CD1-CG 3.87Å; I517-M623 HydrophobicContact CG1-CE 3.77Å; I530-M623 HydrophobicContact CG2-CB 4.39Å; P532-M623 HydrophobicContact CB-SD 4.38Å; M623-I625 HydrophobicContact CB-CG2 3.84Å; M623-I625 PolarHBondContact O-N 3.26Å
624	E	86.4	Confident	70.2	Confident	142 Å²	142	63.8 Å²	63.8	66%	0.664	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	52	175.9	-162.4	177.9	-174.4	0	0	111.4	I530 E531 V533	I530-E624 HydrophobicContact CG2-CB 4.22Å; E531-E624 WeakPolarHBondContact O-CB 3.38Å; E531-E624 PolarHBondContact O-N 3.32Å; V533-E624 HydrophobicContact CG2-CB 4.11Å
625	I	83.6	Confident	71.1	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	139.5	178	-174.9	160.9	0	0	0	110.8	L462 A463 I530 M623 E629 L630 I637	L462-I625 WeakPolarHBondContact CA-O 3.43Å; L462-I625 WeakPolarHBondContact CD2-O 3.5Å; A463-I625 PolarHBondContact N-O 3.03Å; A463-I625 VanDerWaalsContact N-O 3.1Å; I530-I625 HydrophobicContact CD1-CB 4.16Å; I530-I625 HydrophobicContact CD1-CD1 3.62Å; I530-I625 HydrophobicContact CD1-CG1 4.49Å; I530-I625 HydrophobicContact CD1-CG2 4.23Å; I530-I625 HydrophobicContact CG2-CB 4.14Å; I530-I625 HydrophobicContact CG2-CG2 4Å; M623-I625 HydrophobicContact CB-CG2 3.84Å; M623-I625 PolarHBondContact O-N 3.26Å; I625-E629 HydrophobicContact CD1-CB 3.98Å; I625-E629 HydrophobicContact CG1-CB 3.76Å; I625-L630 HydrophobicContact CD1-CD2 4.1Å; I625-L630 HydrophobicContact CD1-CG 3.72Å; I625-L630 HydrophobicContact CG1-CD1 4.3Å; I625-L630 HydrophobicContact CG1-CG 3.91Å; I625-L630 HydrophobicContact CG2-CD1 3.77Å; I625-L630 HydrophobicContact CG2-CD2 4.39Å; I625-L630 HydrophobicContact CG2-CG 4.06Å; I625-I637 HydrophobicContact CD1-CD1 3.12Å
626	T	83.3	Confident	71.9	Confident	47 Å²	47	57 Å²	57	29%	0.288	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	153.8	176.1	67.1	0	0	0	0	111.9	R461 L462 Q628 E629 L630	R461-T626 WeakPolarHBondContact O-CA 3.44Å; L462-T626 HydrophobicContact CD2-CG2 4.15Å; T626-Q628 PolarHBondContact O-N 3.19Å; T626-E629 WeakPolarHBondContact CB-OE2 3.43Å; T626-E629 PolarHBondContact N-OE2 2.73Å; T626-E629 PolarHBondContact O-N 3.23Å; T626-E629 WeakPolarHBondContact OG1-CB 3.46Å; T626-E629 WeakPolarHBondContact OG1-CG 3.29Å; T626-E629 PolarHBondContact OG1-N 3.24Å; T626-E629 PolarHBondContact OG1-OE2 3.3Å; T626-L630 PolarHBondContact O-N 3.3Å
627	C	75.9	Confident	73.1	Confident	23 Å²	23	54.6 Å²	54.6	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-26.2	176.5	-67.4	0	0	0	0	113.2	S460 R461 A463	S460-C627 PolarHBondContact O-SG 2.83Å; R461-C627 PolarHBondContact O-N 3.12Å; A463-C627 VanDerWaalsContact CA-SG 3.6Å
628	Q	73.8	Confident	73.9	Confident	133 Å²	133	53.5 Å²	53.5	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-73	-46.8	176.1	-175	-178.1	-20	0	0	111.4	T626 L630 T631 E632	T626-Q628 PolarHBondContact O-N 3.19Å; Q628-L630 PolarHBondContact O-N 2.98Å; Q628-T631 PolarHBondContact O-N 3.23Å; Q628-T631 VanDerWaalsContact O-N 3.12Å; Q628-T631 PolarHBondContact O-OG1 3.2Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.36Å; Q628-E632 PolarHBondContact NE2-OE1 3.45Å; Q628-E632 WeakPolarHBondContact O-CG 3.28Å; Q628-E632 PolarHBondContact O-N 3.4Å
629	E	76.2	Confident	74.4	Confident	71 Å²	71	51.6 Å²	51.6	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-27.9	177.5	-72.1	160.4	160.3	0	0	112.6	I625 T626	I625-E629 HydrophobicContact CD1-CB 3.98Å; I625-E629 HydrophobicContact CG1-CB 3.76Å; T626-E629 WeakPolarHBondContact CB-OE2 3.43Å; T626-E629 PolarHBondContact N-OE2 2.73Å; T626-E629 PolarHBondContact O-N 3.23Å; T626-E629 WeakPolarHBondContact OG1-CB 3.46Å; T626-E629 WeakPolarHBondContact OG1-CG 3.29Å; T626-E629 PolarHBondContact OG1-N 3.24Å; T626-E629 PolarHBondContact OG1-OE2 3.3Å
630	L	74	Confident	74.1	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-30.9	176.6	-86.7	156.5	0	0	0	114	A463 I625 T626 Q628 I637 L638 I645	A463-L630 HydrophobicContact CB-CD1 3.03Å; I625-L630 HydrophobicContact CD1-CD2 4.1Å; I625-L630 HydrophobicContact CD1-CG 3.72Å; I625-L630 HydrophobicContact CG1-CD1 4.3Å; I625-L630 HydrophobicContact CG1-CG 3.91Å; I625-L630 HydrophobicContact CG2-CD1 3.77Å; I625-L630 HydrophobicContact CG2-CD2 4.39Å; I625-L630 HydrophobicContact CG2-CG 4.06Å; T626-L630 PolarHBondContact O-N 3.3Å; Q628-L630 PolarHBondContact O-N 2.98Å; L630-I637 HydrophobicContact CD2-CG2 4.48Å; L630-L638 VanDerWaalsContact O-CD1 3.25Å; L630-L638 WeakPolarHBondContact O-CD1 3.5Å; L630-L638 WeakPolarHBondContact O-CG 3.35Å; L630-I645 HydrophobicContact CD2-CD1 3.05Å; L630-I645 HydrophobicContact CG-CD1 4.38Å
631	T	70.2	Confident	73.5	Confident	53 Å²	53	60 Å²	60	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-90.8	-17.2	180	54.7	0	0	0	0	112.4	Q628 S633	Q628-T631 PolarHBondContact O-N 3.23Å; Q628-T631 VanDerWaalsContact O-N 3.12Å; Q628-T631 PolarHBondContact O-OG1 3.2Å; T631-S633 PolarHBondContact O-N 3.18Å
632	E	67.3	Low	72.8	Confident	73 Å²	73	62.7 Å²	62.7	34%	0.341	34%	0.338	S	S	.	.			trans	-71.9	115	177.5	-73.9	177.5	-168.7	0	0	111.6	Q628 N634 M635	Q628-E632 WeakPolarHBondContact CG-OE1 3.36Å; Q628-E632 PolarHBondContact NE2-OE1 3.45Å; Q628-E632 WeakPolarHBondContact O-CG 3.28Å; Q628-E632 PolarHBondContact O-N 3.4Å; E632-N634 PolarHBondContact O-N 2.78Å; E632-N634 VanDerWaalsContact O-N 3.14Å; E632-M635 HydrophobicContact CB-CG 4.29Å; E632-M635 PolarHBondContact O-N 3.11Å
633	S	60.8	Low	72.1	Confident	89 Å²	89	63.8 Å²	63.8	62%	0.622	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.4	179.3	50.3	0	0	0	0	114	T631	T631-S633 PolarHBondContact O-N 3.18Å
634	N	59.7	Low	71.8	Confident	148 Å²	148	64.6 Å²	64.6	79%	0.791	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-80.2	-15.7	-172.4	-63.7	-20.4	0	0	0	114	E632 G636	E632-N634 PolarHBondContact O-N 2.78Å; E632-N634 VanDerWaalsContact O-N 3.14Å; N634-G636 VanDerWaalsContact C-N 3.25Å; N634-G636 PolarHBondContact O-N 3.3Å
635	M	59.4	Low	71.6	Confident	85 Å²	85	58 Å²	58	42%	0.419	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-79.6	-7.4	-175.2	-66.4	-60	-77.3	0	0	113.6	E632 I637	E632-M635 HydrophobicContact CB-CG 4.29Å; E632-M635 PolarHBondContact O-N 3.11Å; M635-I637 VanDerWaalsContact C-N 3.25Å; M635-I637 HydrophobicContact CB-CD1 3.98Å; M635-I637 HydrophobicContact CB-CG1 4.12Å; M635-I637 PolarHBondContact O-N 2.79Å
636	G	62.2	Low	71.8	Confident	18 Å²	18	59.1 Å²	59.1	19%	0.186	33%	0.332	C	S	.	.	S	Bend	trans	66.4	28.4	-178.6	0	0	0	0	0	112.7	G519 Y520 Q521 N634	G519-G636 CarbonylContact C-O 3.54Å; Y520-G636 CarbonylContact C-O 3.57Å; Y520-G636 WeakPolarHBondContact CA-O 3.49Å; Y520-G636 PolarHBondContact N-O 3.06Å; Y520-G636 VanDerWaalsContact O-O 3.13Å; Q521-G636 PolarHBondContact N-O 3.1Å; N634-G636 VanDerWaalsContact C-N 3.25Å; N634-G636 PolarHBondContact O-N 3.3Å
637	I	71.3	Confident	72	Confident	11 Å²	11	57 Å²	57	6%	0.056	32%	0.319	C	S	.	.			trans	-98.8	-51.1	177	-59.4	171.1	0	0	0	109.5	I517 I530 I625 L630 M635 N639 I645	I517-I637 HydrophobicContact CG2-CG2 4.11Å; I530-I637 HydrophobicContact CD1-CD1 3.87Å; I530-I637 HydrophobicContact CD1-CG1 4.43Å; I530-I637 HydrophobicContact CD1-CG2 4.43Å; I625-I637 HydrophobicContact CD1-CD1 3.12Å; L630-I637 HydrophobicContact CD2-CG2 4.48Å; M635-I637 VanDerWaalsContact C-N 3.25Å; M635-I637 HydrophobicContact CB-CD1 3.98Å; M635-I637 HydrophobicContact CB-CG1 4.12Å; M635-I637 PolarHBondContact O-N 2.79Å; I637-N639 PolarHBondContact O-N 3.15Å; I637-I645 HydrophobicContact CG2-CD1 3.91Å; I637-I645 HydrophobicContact CG2-CG1 4.35Å; I637-I645 HydrophobicContact CG2-CG2 4.39Å
638	L	71.7	Confident	72.8	Confident	20 Å²	20	56.2 Å²	56.2	11%	0.105	31%	0.313	C	S	.	.	S	Bend	trans	-64.1	130.5	170	-71.5	165.2	0	0	0	109.8	I430 L630 P640 I645	I430-L638 HydrophobicContact CD1-CD2 4.07Å; L630-L638 VanDerWaalsContact O-CD1 3.25Å; L630-L638 WeakPolarHBondContact O-CD1 3.5Å; L630-L638 WeakPolarHBondContact O-CG 3.35Å; L638-P640 VanDerWaalsContact O-CD 3.27Å; L638-P640 WeakPolarHBondContact O-CD 3.3Å; L638-I645 HydrophobicContact CD2-CD1 4.19Å; L638-I645 HydrophobicContact CD2-CG1 3.7Å; L638-I645 HydrophobicContact CG-CG1 4.4Å
639	N	71.6	Confident	73.7	Confident	24 Å²	24	49.9 Å²	49.9	13%	0.128	28%	0.283	C	S	.	.			trans	-66.4	114	166	179.7	-15.3	0	0	0	108.1	Y520 I637 K641 T642 G643 T644	Y520-N639 HydrophobicContact CD2-CB 3.84Å; Y520-N639 HydrophobicContact CE2-CB 4.16Å; Y520-N639 HydrophobicContact CG-CB 4.18Å; I637-N639 PolarHBondContact O-N 3.15Å; N639-K641 PolarHBondContact O-N 2.73Å; N639-K641 WeakPolarHBondContact OD1-CB 3.32Å; N639-K641 PolarHBondContact OD1-N 3.31Å; N639-T642 WeakPolarHBondContact CB-OG1 3.36Å; N639-T642 VanDerWaalsContact CG-OG1 3.23Å; N639-T642 PolarHBondContact ND2-OG1 2.84Å; N639-T642 VanDerWaalsContact ND2-OG1 3.16Å; N639-T642 PolarHBondContact O-N 2.95Å; N639-G643 WeakPolarHBondContact O-CA 3.31Å; N639-G643 PolarHBondContact O-N 2.86Å; N639-T644 WeakPolarHBondContact CB-O 3.41Å; N639-T644 PolarHBondContact N-O 2.88Å
640	P	67.2	Low	74.5	Confident	101 Å²	101	47 Å²	47	66%	0.656	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.8	-173.7	27.8	-35.1	0	0	0	112.6	Y520 L638	Y520-P640 HydrophobicContact CD1-CG 4.09Å; Y520-P640 HydrophobicContact CE1-CG 3.74Å; L638-P640 VanDerWaalsContact O-CD 3.27Å; L638-P640 WeakPolarHBondContact O-CD 3.3Å
641	K	69.4	Low	75.3	Confident	179 Å²	179	47.3 Å²	47.3	78%	0.778	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-35.4	179	-65.7	-179.1	177.6	178.5	0	113.2	N639	N639-K641 PolarHBondContact O-N 2.73Å; N639-K641 WeakPolarHBondContact OD1-CB 3.32Å; N639-K641 PolarHBondContact OD1-N 3.31Å
642	T	71.1	Confident	76.2	Confident	75 Å²	75	47.1 Å²	47.1	46%	0.46	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-12.2	-172.4	56.3	0	0	0	0	113.3	N639 T644	N639-T642 WeakPolarHBondContact CB-OG1 3.36Å; N639-T642 VanDerWaalsContact CG-OG1 3.23Å; N639-T642 PolarHBondContact ND2-OG1 2.84Å; N639-T642 VanDerWaalsContact ND2-OG1 3.16Å; N639-T642 PolarHBondContact O-N 2.95Å; T642-T644 PolarHBondContact O-N 3.03Å; T642-T644 PolarHBondContact OG1-OG1 3.1Å
643	G	72.5	Confident	77.2	Confident	36 Å²	36	44.4 Å²	44.4	37%	0.371	25%	0.254	S	S	.	.			trans	64	19.1	-173.3	0	0	0	0	0	113.4	N639	N639-G643 WeakPolarHBondContact O-CA 3.31Å; N639-G643 PolarHBondContact O-N 2.86Å
644	T	79.8	Confident	78.4	Confident	17 Å²	17	43.8 Å²	43.8	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	153.5	-175.6	63.2	0	0	0	0	111.7	F428 P429 N639 T642	F428-T644 CarbonylContact O-C 3.53Å; F428-T644 VanDerWaalsContact O-CA 3.26Å; F428-T644 WeakPolarHBondContact O-CA 3.4Å; F428-T644 WeakPolarHBondContact O-CB 3.47Å; P429-T644 HydrophobicContact CB-CG2 4.09Å; N639-T644 WeakPolarHBondContact CB-O 3.41Å; N639-T644 PolarHBondContact N-O 2.88Å; T642-T644 PolarHBondContact O-N 3.03Å; T642-T644 PolarHBondContact OG1-OG1 3.1Å
645	I	83.4	Confident	79.7	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.9	170.4	-63	-166.2	0	0	0	109.9	N427 F428 I430 I517 L630 I637 L638 I647	N427-I645 CarbonylContact C-O 3.6Å; N427-I645 WeakPolarHBondContact CA-O 3.36Å; F428-I645 PolarHBondContact N-O 2.84Å; F428-I645 PolarHBondContact O-N 2.91Å; I430-I645 HydrophobicContact CD1-CD1 3.19Å; I430-I645 HydrophobicContact CD1-CG1 3.6Å; I430-I645 HydrophobicContact CG1-CD1 4.32Å; I430-I645 HydrophobicContact CG1-CG1 4.31Å; I517-I645 HydrophobicContact CB-CG2 4.46Å; I517-I645 HydrophobicContact CG1-CG2 4.41Å; I517-I645 HydrophobicContact CG2-CG2 3.36Å; L630-I645 HydrophobicContact CD2-CD1 3.05Å; L630-I645 HydrophobicContact CG-CD1 4.38Å; I637-I645 HydrophobicContact CG2-CD1 3.91Å; I637-I645 HydrophobicContact CG2-CG1 4.35Å; I637-I645 HydrophobicContact CG2-CG2 4.39Å; L638-I645 HydrophobicContact CD2-CD1 4.19Å; L638-I645 HydrophobicContact CD2-CG1 3.7Å; L638-I645 HydrophobicContact CG-CG1 4.4Å; I645-I647 HydrophobicContact CG2-CG1 4.44Å
646	T	86.4	Confident	80.7	Confident	30 Å²	30	34.9 Å²	34.9	18%	0.184	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.2	175.5	-56	0	0	0	0	110.2	V425 V426 N427 R518	V425-T646 HydrophobicContact CG1-CG2 3.46Å; V425-T646 VanDerWaalsContact CG1-CG2 3.46Å; V426-T646 CarbonylContact O-C 3.57Å; V426-T646 WeakPolarHBondContact O-CA 3.47Å; N427-T646 PolarHBondContact OD1-OG1 2.89Å; R518-T646 PolarHBondContact N-O 3.3Å
647	I	89.3	Confident	81.5	Confident	3 Å²	3	35 Å²	35	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.1	174.1	-59.2	175.8	0	0	0	108.4	V425 V426 F428 L454 V465 I517 I645 I649	V425-I647 WeakPolarHBondContact CA-O 3.41Å; V426-I647 PolarHBondContact N-O 2.59Å; V426-I647 PolarHBondContact O-N 2.77Å; F428-I647 HydrophobicContact CB-CD1 3.77Å; F428-I647 HydrophobicContact CB-CG1 4.23Å; F428-I647 HydrophobicContact CD2-CD1 4.15Å; F428-I647 HydrophobicContact CG-CD1 3.92Å; L454-I647 HydrophobicContact CD2-CD1 4.06Å; L454-I647 HydrophobicContact CD2-CG2 4.41Å; V465-I647 HydrophobicContact CG1-CD1 4.4Å; I517-I647 HydrophobicContact CG1-CG1 4.23Å; I645-I647 HydrophobicContact CG2-CG1 4.44Å; I647-I649 HydrophobicContact CG2-CG1 4.23Å
648	E	91.5	Very high	81.6	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.1	172.6	176.8	173.4	145.5	0	0	109.7	R323 L423 V425 R516 R518	R323-E648 IonicContact CZ-OE1 3.03Å; R323-E648 IonicContact NH2-OE1 3.59Å; R323-E648 PolarHBondContact NH2-OE1 3.03Å; R323-E648 IonicContact NH2-OE2 3.59Å; L423-E648 HydrophobicContact CD2-CG 4.14Å; V425-E648 HydrophobicContact CG2-CG 4.5Å; R516-E648 HydrophobicContact CB-CB 4.44Å; R516-E648 PolarHBondContact N-O 3.47Å; R516-E648 PolarHBondContact O-N 3.01Å; R518-E648 IonicContact CZ-OE2 3.66Å; R518-E648 IonicContact NE-OE2 3.32Å; R518-E648 PolarHBondContact NE-OE2 2.89Å; R518-E648 IonicContact NH2-OE1 2.59Å; R518-E648 IonicContact NH2-OE2 3.53Å; R518-E648 PolarHBondContact NH2-OE2 3.2Å
649	I	93.4	Very high	81.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.4	175.9	-50.4	179.5	0	0	0	107.6	L423 T424 I444 L454 L467 C513 K514 L515 I647 W651	L423-I649 CarbonylContact C-O 3.51Å; L423-I649 VanDerWaalsContact CA-O 3.24Å; L423-I649 WeakPolarHBondContact CA-O 3.32Å; T424-I649 PolarHBondContact N-O 3.27Å; T424-I649 PolarHBondContact O-N 2.9Å; I444-I649 HydrophobicContact CD1-CD1 3.33Å; L454-I649 HydrophobicContact CD1-CD1 4.35Å; L454-I649 HydrophobicContact CD2-CD1 4.43Å; L467-I649 HydrophobicContact CD1-CD1 4.44Å; L467-I649 HydrophobicContact CD1-CG2 4.42Å; L467-I649 HydrophobicContact CD2-CD1 4.15Å; C513-I649 HydrophobicContact CB-CG2 4.09Å; K514-I649 WeakPolarHBondContact O-CA 3.49Å; L515-I649 HydrophobicContact CD2-CB 4.16Å; L515-I649 HydrophobicContact CD2-CD1 4.18Å; L515-I649 HydrophobicContact CD2-CG1 3.64Å; L515-I649 HydrophobicContact CD2-CG2 3.91Å; I647-I649 HydrophobicContact CG2-CG1 4.23Å; I649-W651 HydrophobicContact CG2-CD2 4.26Å; I649-W651 HydrophobicContact CG2-CZ2 3.89Å
650	Q	92.8	Very high	80.8	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.2	174.6	-176.2	-173.1	4.2	0	0	109.5	E421 L423 C513 K514 L652	E421-Q650 HydrophobicContact CB-CG 4.24Å; E421-Q650 WeakPolarHBondContact OE2-CG 3.49Å; E421-Q650 PolarHBondContact OE2-NE2 3.05Å; L423-Q650 HydrophobicContact CD2-CB 3.74Å; L423-Q650 HydrophobicContact CD2-CG 3.85Å; C513-Q650 CarbonylContact C-O 3.5Å; C513-Q650 WeakPolarHBondContact CA-O 3.45Å; C513-Q650 VanDerWaalsContact CB-O 3.31Å; C513-Q650 WeakPolarHBondContact CB-O 3.44Å; K514-Q650 HydrophobicContact CB-CB 4.2Å; K514-Q650 PolarHBondContact N-O 3.41Å; K514-Q650 PolarHBondContact O-N 2.83Å; Q650-L652 HydrophobicContact CG-CD2 3.96Å
651	W	91.2	Very high	80.1	Confident	10 Å²	10	35 Å²	35	4%	0.038	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.5	177.6	-59.9	92.4	0	0	0	109.8	R422 T424 D446 P447 W452 L467 F511 C513 I649	R422-W651 HydrophobicContact CB-CB 4.44Å; R422-W651 PolarHBondContact O-N 2.84Å; T424-W651 PolarHBondContact OG1-NE1 3.06Å; D446-W651 HydrophobicContact CB-CD2 4.22Å; D446-W651 HydrophobicContact CB-CE3 4.43Å; D446-W651 HydrophobicContact CB-CH2 3.66Å; D446-W651 HydrophobicContact CB-CZ2 3.39Å; D446-W651 HydrophobicContact CB-CZ3 4.17Å; P447-W651 VanDerWaalsContact CD-NE1 3.33Å; P447-W651 HydrophobicContact CG-CB 4.4Å; P447-W651 VanDerWaalsContact CG-CD1 3.49Å; P447-W651 HydrophobicContact CG-CG 3.97Å; W452-W651 AromaticContact CD1-CH2 3.96Å; W452-W651 HydrophobicContact CD2-CH2 4.13Å; W452-W651 AromaticContact CE2-CH2 3.78Å; W452-W651 HydrophobicContact CG-CH2 4.24Å; W452-W651 HydrophobicContact CZ2-CH2 4.25Å; W452-W651 HydrophobicContact CZ2-CZ3 4.17Å; W452-W651 AromaticContact NE1-CH2 3.67Å; L467-W651 HydrophobicContact CD1-CH2 4.39Å; F511-W651 HydrophobicContact CD1-CZ3 4.43Å; C513-W651 HydrophobicContact CB-CD2 4.5Å; C513-W651 HydrophobicContact CB-CE3 4.12Å; C513-W651 HydrophobicContact CB-CZ3 4.46Å; I649-W651 HydrophobicContact CG2-CD2 4.26Å; I649-W651 HydrophobicContact CG2-CZ2 3.89Å
652	L	88.5	Confident	79.2	Confident	49 Å²	49	28.8 Å²	28.8	26%	0.257	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-48.4	-174.1	-60.7	179.4	0	0	0	112.4	G512 K514 I537 Q650	G512-L652 PolarHBondContact O-N 3.06Å; K514-L652 HydrophobicContact CD-CD1 4.35Å; K514-L652 HydrophobicContact CG-CD1 3.95Å; K514-L652 HydrophobicContact CG-CG 4.47Å; I537-L652 HydrophobicContact CB-CD1 4.45Å; I537-L652 HydrophobicContact CD1-CD1 3.63Å; I537-L652 HydrophobicContact CG1-CD1 3.7Å; I537-L652 HydrophobicContact CG2-CD1 3.95Å; Q650-L652 HydrophobicContact CG-CD2 3.96Å
653	F	88.2	Confident	78.5	Confident	16 Å²	16	29.5 Å²	29.5	7%	0.07	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.5	-175.5	56.4	-99	0	0	0	111.8	Y40 H42 L510 G512 I537 Q539	Y40-F653 AromaticContact CD1-CD2 3.97Å; Y40-F653 HydrophobicContact CD1-CD2 3.97Å; Y40-F653 AromaticContact CD1-CE2 3.85Å; Y40-F653 HydrophobicContact CD1-CE2 3.85Å; Y40-F653 HydrophobicContact CD1-CG 4.48Å; Y40-F653 HydrophobicContact CD1-CZ 4.26Å; Y40-F653 HydrophobicContact CE1-CB 4.27Å; Y40-F653 AromaticContact CE1-CD1 3.71Å; Y40-F653 HydrophobicContact CE1-CD1 3.71Å; Y40-F653 AromaticContact CE1-CD2 3.44Å; Y40-F653 HydrophobicContact CE1-CD2 3.44Å; Y40-F653 VanDerWaalsContact CE1-CD2 3.44Å; Y40-F653 AromaticContact CE1-CE1 3.79Å; Y40-F653 HydrophobicContact CE1-CE1 3.79Å; Y40-F653 AromaticContact CE1-CE2 3.53Å; Y40-F653 HydrophobicContact CE1-CE2 3.53Å; Y40-F653 AromaticContact CE1-CG 3.53Å; Y40-F653 HydrophobicContact CE1-CG 3.53Å; Y40-F653 AromaticContact CE1-CZ 3.7Å; Y40-F653 HydrophobicContact CE1-CZ 3.7Å; Y40-F653 AromaticContact CZ-CG 3.98Å; H42-F653 HydrophobicContact CB-CD1 4.37Å; H42-F653 HydrophobicContact CB-CE1 3.97Å; L510-F653 HydrophobicContact CD2-CE2 3.97Å; L510-F653 HydrophobicContact CG-CE2 4.09Å; G512-F653 VanDerWaalsContact CA-CE2 3.49Å; G512-F653 VanDerWaalsContact CA-CZ 3.42Å; G512-F653 PolarHBondContact N-O 3.44Å; G512-F653 PolarHBondContact O-N 3.38Å; I537-F653 HydrophobicContact CG2-CE1 4.26Å; I537-F653 HydrophobicContact CG2-CZ 4.46Å; Q539-F653 HydrophobicContact CG-CZ 4.2Å
654	R	87	Confident	77.9	Confident	77 Å²	77	30.9 Å²	30.9	29%	0.291	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	119.9	171.9	174.7	-173	171.8	-155.8	-6.2	107.7	F448 L510 F511	F448-R654 HydrophobicContact CE2-CB 4.19Å; F448-R654 HydrophobicContact CZ-CB 4.18Å; L510-R654 WeakPolarHBondContact O-CA 3.13Å; F511-R654 HydrophobicContact CD1-CB 4.13Å; F511-R654 HydrophobicContact CD1-CG 3.96Å; F511-R654 HydrophobicContact CE1-CB 4.18Å; F511-R654 HydrophobicContact CE1-CG 3.57Å; F511-R654 HydrophobicContact CZ-CG 4.1Å
655	H	85	Confident	77.1	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.1	177.6	-66.1	-58	0	0	0	110.8	L37 Y40 F52 Q74 Y509 L510 I657	L37-H655 HydrophobicContact CD2-CB 3.96Å; Y40-H655 AromaticContact CD1-CD2 3.69Å; Y40-H655 AromaticContact CD2-CD2 3.62Å; Y40-H655 AromaticContact CD2-NE2 3.79Å; Y40-H655 AromaticContact CE1-CD2 3.74Å; Y40-H655 AromaticContact CE2-CD2 3.65Å; Y40-H655 AromaticContact CE2-NE2 3.39Å; Y40-H655 WeakPolarHBondContact CE2-NE2 3.24Å; Y40-H655 AromaticContact CG-CD2 3.61Å; Y40-H655 AromaticContact CZ-CD2 3.69Å; Y40-H655 AromaticContact CZ-NE2 3.51Å; F52-H655 AromaticContact CE1-CE1 3.78Å; F52-H655 AromaticContact CE1-NE2 3.93Å; Q74-H655 PolarHBondContact O-CE1 2.96Å; Q74-H655 VanDerWaalsContact O-CE1 3.32Å; Y509-H655 CarbonylContact C-O 3.58Å; Y509-H655 WeakPolarHBondContact CA-O 3.22Å; L510-H655 PolarHBondContact N-O 3.05Å; L510-H655 PolarHBondContact O-N 2.72Å; H655-I657 HydrophobicContact CB-CG1 4.42Å
656	Q	82.1	Confident	76.3	Confident	38 Å²	38	34.8 Å²	34.8	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.3	166.3	-177.1	175.6	-15.6	0	0	108.2	Q71 Y507 L508 Y509	Q71-Q656 PolarHBondContact OE1-O 2.99Å; Y507-Q656 HydrophobicContact CD1-CG 3.85Å; Y507-Q656 VanDerWaalsContact CD1-NE2 3.31Å; Y507-Q656 HydrophobicContact CG-CG 4.39Å; L508-Q656 CarbonylContact O-C 3.59Å; L508-Q656 WeakPolarHBondContact O-CA 3.4Å; Y509-Q656 HydrophobicContact CD1-CB 4.06Å; Y509-Q656 HydrophobicContact CE1-CB 3.95Å; Y509-Q656 HydrophobicContact CE1-CG 4.27Å
657	I	77.3	Confident	75.6	Confident	20 Å²	20	38.3 Å²	38.3	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.5	-175.4	-62.2	-172.5	0	0	0	109.2	L37 H38 Y507 L508 L510 H655	L37-I657 HydrophobicContact CD2-CG1 4.41Å; L37-I657 CarbonylContact O-C 3.48Å; L37-I657 VanDerWaalsContact O-CA 3.29Å; L37-I657 WeakPolarHBondContact O-CA 3.48Å; H38-I657 WeakPolarHBondContact O-CG2 3.45Å; Y507-I657 CarbonylContact C-O 3.47Å; Y507-I657 WeakPolarHBondContact CA-O 3.33Å; L508-I657 PolarHBondContact N-O 2.81Å; L508-I657 PolarHBondContact O-N 2.82Å; L510-I657 HydrophobicContact CB-CD1 3.53Å; L510-I657 HydrophobicContact CB-CG1 4.08Å; L510-I657 HydrophobicContact CD2-CD1 3.41Å; L510-I657 VanDerWaalsContact CD2-CD1 3.41Å; L510-I657 HydrophobicContact CG-CD1 4.04Å; H655-I657 HydrophobicContact CB-CG1 4.42Å
658	Y	75	Confident	74.8	Confident	21 Å²	21	38.5 Å²	38.5	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.9	171.8	179.2	-111.2	0	0	0	111.3	P36 L37 H38 L55 Y507 L569 D660	P36-Y658 HydrophobicContact CB-CD1 4.23Å; P36-Y658 HydrophobicContact CB-CG 4Å; P36-Y658 HydrophobicContact CG-CD1 4.02Å; P36-Y658 HydrophobicContact CG-CG 4.26Å; L37-Y658 PolarHBondContact O-N 2.83Å; H38-Y658 WeakPolarHBondContact CA-O 3.45Å; H38-Y658 PolarHBondContact ND1-O 2.8Å; L55-Y658 HydrophobicContact CD2-CE1 4.3Å; Y507-Y658 HydrophobicContact CD1-CD2 4.22Å; Y507-Y658 HydrophobicContact CD2-CD2 4.17Å; Y507-Y658 HydrophobicContact CE1-CD2 4.03Å; Y507-Y658 HydrophobicContact CE1-CG 4.23Å; Y507-Y658 AromaticContact CE2-CD2 3.94Å; Y507-Y658 HydrophobicContact CE2-CD2 3.94Å; Y507-Y658 HydrophobicContact CG-CD2 4.3Å; Y507-Y658 AromaticContact CZ-CD2 3.88Å; L569-Y658 HydrophobicContact CD1-CD2 4.24Å; L569-Y658 HydrophobicContact CD1-CE2 3.19Å; L569-Y658 VanDerWaalsContact CD1-OH 3.28Å; L569-Y658 WeakPolarHBondContact CD1-OH 3.49Å; Y658-D660 HydrophobicContact CD1-CB 4.34Å; Y658-D660 HydrophobicContact CE1-CB 3.62Å
659	I	66.5	Low	73.9	Confident	61 Å²	61	39.3 Å²	39.3	31%	0.313	20%	0.195	S	C	.	.			trans	-93.7	105.3	170	-58.8	-172.5	0	0	0	107.8	G506 L508 L609	G506-I659 PolarHBondContact O-N 2.97Å; L508-I659 HydrophobicContact CD1-CD1 3.25Å; L508-I659 HydrophobicContact CD1-CG1 4.31Å; L508-I659 HydrophobicContact CG-CD1 3.7Å; L508-I659 HydrophobicContact CG-CG1 4.31Å; L609-I659 HydrophobicContact CD1-CG2 4.23Å
660	D	59.4	Low	72.9	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.07	22%	0.219	C	C	.	.			trans	-70.6	149.9	165.4	-155	-12.2	0	0	0	109.4	L55 K190 Y658 L662	L55-D660 HydrophobicContact CD2-CB 4.48Å; K190-D660 IonicContact NZ-OD2 2.87Å; K190-D660 PolarHBondContact NZ-OD2 2.86Å; Y658-D660 HydrophobicContact CD1-CB 4.34Å; Y658-D660 HydrophobicContact CE1-CB 3.62Å; D660-L662 PolarHBondContact O-N 3.23Å
661	T	52.5	Low	72.1	Confident	62 Å²	62	47.2 Å²	47.2	38%	0.38	24%	0.237	S	C	.	.	S	Bend	trans	-72.2	-12.8	174.2	56.5	0	0	0	0	112.5
662	L	50.8	Low	71.5	Confident	47 Å²	47	47.5 Å²	47.5	25%	0.246	24%	0.239	C	C	.	.			trans	-89	108.3	-172.6	-74.7	153.4	0	0	0	112.1	D660 Q664	D660-L662 PolarHBondContact O-N 3.23Å; L662-Q664 PolarHBondContact O-N 3.21Å
663	Y	55.5	Low	71.1	Confident	91 Å²	91	51.5 Å²	51.5	36%	0.357	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-11.5	172.8	-76.3	-95.4	0	0	0	114.8	I605 T665 D666 E667	I605-Y663 HydrophobicContact CG2-CE2 3.63Å; Y663-T665 VanDerWaalsContact C-N 3.28Å; Y663-T665 PolarHBondContact O-N 2.92Å; Y663-D666 PolarHBondContact O-N 3.17Å; Y663-E667 WeakPolarHBondContact O-CG 3.24Å; Y663-E667 PolarHBondContact O-N 3.13Å
664	Q	59.9	Low	70.6	Confident	65 Å²	65	56 Å²	56	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-33.2	-171	-59.7	-173.3	5.9	0	0	112.9	F186 L662 I668	F186-Q664 HydrophobicContact CD1-CB 4.34Å; F186-Q664 HydrophobicContact CE1-CB 3.74Å; F186-Q664 HydrophobicContact CZ-CB 4.4Å; L662-Q664 PolarHBondContact O-N 3.21Å; Q664-I668 WeakPolarHBondContact O-CG1 3.24Å; Q664-I668 PolarHBondContact O-N 2.86Å; Q664-I668 VanDerWaalsContact O-N 3.15Å
665	T	63.7	Low	70.4	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-48.1	178.1	54.2	0	0	0	0	111.3	H38 L55 F186 I192 Y663 E667 I668 G669	H38-T665 WeakPolarHBondContact NE2-CB 3.44Å; H38-T665 PolarHBondContact NE2-OG1 3.15Å; L55-T665 HydrophobicContact CD1-CG2 4.31Å; F186-T665 HydrophobicContact CE2-CG2 4.25Å; F186-T665 HydrophobicContact CZ-CG2 4.09Å; I192-T665 HydrophobicContact CD1-CG2 3.82Å; I192-T665 HydrophobicContact CG1-CG2 4.24Å; Y663-T665 VanDerWaalsContact C-N 3.28Å; Y663-T665 PolarHBondContact O-N 2.92Å; T665-E667 PolarHBondContact O-N 2.81Å; T665-I668 PolarHBondContact O-N 2.67Å; T665-G669 PolarHBondContact O-N 3.22Å; T665-G669 VanDerWaalsContact O-N 3.15Å
666	D	67.5	Low	70.3	Confident	91 Å²	91	59 Å²	59	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-38.3	177.3	-77.4	-18.1	0	0	0	112	Y663 G669 A670	Y663-D666 PolarHBondContact O-N 3.17Å; D666-G669 PolarHBondContact O-N 3.5Å; D666-A670 WeakPolarHBondContact O-CB 3.09Å; D666-A670 PolarHBondContact O-N 2.91Å
667	E	71	Confident	70.4	Confident	104 Å²	104	63.5 Å²	63.5	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-37.8	176.5	-77.5	-173.6	174.7	0	0	112.9	Y663 T665 R671	Y663-E667 WeakPolarHBondContact O-CG 3.24Å; Y663-E667 PolarHBondContact O-N 3.13Å; T665-E667 PolarHBondContact O-N 2.81Å; E667-R671 VanDerWaalsContact O-CB 3.23Å; E667-R671 WeakPolarHBondContact O-CB 3.3Å; E667-R671 VanDerWaalsContact O-CG 3.25Å; E667-R671 WeakPolarHBondContact O-CG 3.49Å; E667-R671 PolarHBondContact O-N 3.27Å; E667-R671 PolarHBondContact O-NE 2.9Å
668	I	71.4	Confident	70.8	Confident	6 Å²	6	66 Å²	66	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-46.8	174.6	-69.9	167.4	0	0	0	109.6	R145 F186 Q664 T665 A670 R671 Q672	R145-I668 HydrophobicContact CB-CD1 4.28Å; R145-I668 HydrophobicContact CG-CD1 3.94Å; F186-I668 HydrophobicContact CE1-CD1 3.36Å; F186-I668 HydrophobicContact CZ-CD1 3.43Å; F186-I668 VanDerWaalsContact CZ-CD1 3.43Å; Q664-I668 WeakPolarHBondContact O-CG1 3.24Å; Q664-I668 PolarHBondContact O-N 2.86Å; Q664-I668 VanDerWaalsContact O-N 3.15Å; T665-I668 PolarHBondContact O-N 2.67Å; I668-A670 VanDerWaalsContact C-N 3.33Å; I668-A670 PolarHBondContact O-N 3.09Å; I668-R671 PolarHBondContact O-N 3.41Å; I668-Q672 HydrophobicContact CG2-CG 4.16Å; I668-Q672 WeakPolarHBondContact O-CB 3.46Å; I668-Q672 WeakPolarHBondContact O-CG 3.37Å; I668-Q672 PolarHBondContact O-N 3.29Å
669	G	73.2	Confident	71.3	Confident	24 Å²	24	68.2 Å²	68.2	25%	0.247	33%	0.332	C	S	.	.	H	α-helix	trans	-56.5	-47.1	176.4	0	0	0	0	0	112.1	T665 D666 Y673	T665-G669 PolarHBondContact O-N 3.22Å; T665-G669 VanDerWaalsContact O-N 3.15Å; D666-G669 PolarHBondContact O-N 3.5Å; G669-Y673 WeakPolarHBondContact O-CB 3.36Å; G669-Y673 PolarHBondContact O-N 3.06Å
670	A	73	Confident	72.1	Confident	61 Å²	61	70.6 Å²	70.6	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-43.9	178.2	0	0	0	0	0	112.7	D666 I668 Y673 H674	D666-A670 WeakPolarHBondContact O-CB 3.09Å; D666-A670 PolarHBondContact O-N 2.91Å; I668-A670 VanDerWaalsContact C-N 3.33Å; I668-A670 PolarHBondContact O-N 3.09Å; A670-Y673 PolarHBondContact O-N 2.91Å; A670-H674 WeakPolarHBondContact O-CB 3.18Å; A670-H674 PolarHBondContact O-N 2.89Å
671	R	75.2	Confident	73.5	Confident	115 Å²	115	73.5 Å²	73.5	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-47.7	176.8	-79.6	-175.5	-77	142.7	-9.2	111.6	R145 E667 I668 H674 Q675	R145-R671 PolarHBondContact O-NH1 2.85Å; E667-R671 VanDerWaalsContact O-CB 3.23Å; E667-R671 WeakPolarHBondContact O-CB 3.3Å; E667-R671 VanDerWaalsContact O-CG 3.25Å; E667-R671 WeakPolarHBondContact O-CG 3.49Å; E667-R671 PolarHBondContact O-N 3.27Å; E667-R671 PolarHBondContact O-NE 2.9Å; I668-R671 PolarHBondContact O-N 3.41Å; R671-H674 PolarHBondContact O-N 3.14Å; R671-Q675 WeakPolarHBondContact O-CG 3.3Å; R671-Q675 PolarHBondContact O-N 2.78Å
672	Q	79.5	Confident	75.3	Confident	16 Å²	16	76.7 Å²	76.7	8%	0.075	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-40.1	178	-73.2	-169.8	-2	0	0	111.8	N144 F148 I668 H674 Q675 M676	N144-Q672 PolarHBondContact O-NE2 2.9Å; F148-Q672 HydrophobicContact CB-CB 4.17Å; F148-Q672 HydrophobicContact CB-CG 4.07Å; I668-Q672 HydrophobicContact CG2-CG 4.16Å; I668-Q672 WeakPolarHBondContact O-CB 3.46Å; I668-Q672 WeakPolarHBondContact O-CG 3.37Å; I668-Q672 PolarHBondContact O-N 3.29Å; Q672-H674 VanDerWaalsContact C-N 3.33Å; Q672-H674 PolarHBondContact O-N 3.13Å; Q672-Q675 PolarHBondContact O-N 2.71Å; Q672-M676 WeakPolarHBondContact O-CB 3.32Å; Q672-M676 PolarHBondContact O-N 3.44Å
673	Y	78.7	Confident	77	Confident	133 Å²	133	78.7 Å²	78.7	52%	0.522	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-43.3	174	177.2	-97.1	0	0	0	111.6	G669 A670 M676 R677	G669-Y673 WeakPolarHBondContact O-CB 3.36Å; G669-Y673 PolarHBondContact O-N 3.06Å; A670-Y673 PolarHBondContact O-N 2.91Å; Y673-M676 HydrophobicContact CD2-CE 4.12Å; Y673-M676 PolarHBondContact O-N 3.37Å; Y673-R677 VanDerWaalsContact O-CB 3.29Å; Y673-R677 WeakPolarHBondContact O-CB 3.4Å; Y673-R677 PolarHBondContact O-N 3.29Å
674	H	78.8	Confident	78.7	Confident	110 Å²	110	77.3 Å²	77.3	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-43.7	176	-174.6	71.3	0	0	0	112.2	A670 R671 Q672 R677 N678	A670-H674 WeakPolarHBondContact O-CB 3.18Å; A670-H674 PolarHBondContact O-N 2.89Å; R671-H674 PolarHBondContact O-N 3.14Å; Q672-H674 VanDerWaalsContact C-N 3.33Å; Q672-H674 PolarHBondContact O-N 3.13Å; H674-R677 PolarHBondContact O-N 2.85Å; H674-N678 PolarHBondContact CD2-ND2 2.95Å; H674-N678 PolarHBondContact NE2-ND2 2.82Å; H674-N678 VanDerWaalsContact O-CG 3.24Å; H674-N678 PolarHBondContact O-N 3.01Å; H674-N678 PolarHBondContact O-ND2 2.9Å
675	Q	82.4	Confident	80.1	Confident	51 Å²	51	81.1 Å²	81.1	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-56.8	-52.4	173.4	-73	173.6	0.8	0	0	110.8	N146 F148 R671 Q672 R677 N678 E679	N146-Q675 PolarHBondContact O-NE2 2.88Å; N146-Q675 VanDerWaalsContact O-NE2 3.12Å; F148-Q675 HydrophobicContact CD1-CB 4.05Å; F148-Q675 HydrophobicContact CE1-CB 4.08Å; R671-Q675 WeakPolarHBondContact O-CG 3.3Å; R671-Q675 PolarHBondContact O-N 2.78Å; Q672-Q675 PolarHBondContact O-N 2.71Å; Q675-R677 VanDerWaalsContact C-N 3.34Å; Q675-R677 PolarHBondContact O-N 3.43Å; Q675-N678 PolarHBondContact O-N 2.91Å; Q675-E679 WeakPolarHBondContact O-CG 3.31Å; Q675-E679 PolarHBondContact O-N 3.42Å
676	M	82.8	Confident	81.5	Confident	98 Å²	98	85.8 Å²	85.8	48%	0.483	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-40.6	179.9	-175.1	-178.1	69.8	0	0	112.2	F148 Q672 Y673 E679 L680	F148-M676 HydrophobicContact CE1-CB 4.35Å; Q672-M676 WeakPolarHBondContact O-CB 3.32Å; Q672-M676 PolarHBondContact O-N 3.44Å; Y673-M676 HydrophobicContact CD2-CE 4.12Å; Y673-M676 PolarHBondContact O-N 3.37Å; M676-E679 PolarHBondContact O-N 3.09Å; M676-L680 WeakPolarHBondContact O-CB 3.45Å; M676-L680 PolarHBondContact O-N 2.9Å
677	R	83.7	Confident	82.6	Confident	132 Å²	132	87 Å²	87	50%	0.498	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.7	-175.4	177.2	179.7	135.9	-1.9	111.9	Y673 H674 Q675 L680 I681	Y673-R677 VanDerWaalsContact O-CB 3.29Å; Y673-R677 WeakPolarHBondContact O-CB 3.4Å; Y673-R677 PolarHBondContact O-N 3.29Å; H674-R677 PolarHBondContact O-N 2.85Å; Q675-R677 VanDerWaalsContact C-N 3.34Å; Q675-R677 PolarHBondContact O-N 3.43Å; R677-L680 PolarHBondContact O-N 3.33Å; R677-I681 HydrophobicContact CG-CD1 4.06Å; R677-I681 VanDerWaalsContact O-CG1 3.26Å; R677-I681 WeakPolarHBondContact O-CG1 2.98Å; R677-I681 PolarHBondContact O-N 2.91Å
678	N	85.7	Confident	83.5	Confident	72 Å²	72	86 Å²	86	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-67.4	-40.6	177.1	-68.2	-14.8	0	0	0	111.6	H674 Q675 L680 I681 R682	H674-N678 PolarHBondContact CD2-ND2 2.95Å; H674-N678 PolarHBondContact NE2-ND2 2.82Å; H674-N678 VanDerWaalsContact O-CG 3.24Å; H674-N678 PolarHBondContact O-N 3.01Å; H674-N678 PolarHBondContact O-ND2 2.9Å; Q675-N678 PolarHBondContact O-N 2.91Å; N678-L680 VanDerWaalsContact C-N 3.35Å; N678-I681 PolarHBondContact O-N 3.17Å; N678-R682 PolarHBondContact O-N 2.77Å
679	E	86	Confident	84.2	Confident	69 Å²	69	88.6 Å²	88.6	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-43.6	173.5	-68	-65.2	120.6	0	0	111.1	F148 Q675 M676 R682 I683	F148-E679 HydrophobicContact CE1-CG 4.35Å; F148-E679 HydrophobicContact CZ-CG 4.3Å; Q675-E679 WeakPolarHBondContact O-CG 3.31Å; Q675-E679 PolarHBondContact O-N 3.42Å; M676-E679 PolarHBondContact O-N 3.09Å; E679-R682 WeakPolarHBondContact O-CB 3.34Å; E679-R682 PolarHBondContact O-N 3.01Å; E679-R682 IonicContact OE1-CZ 3.12Å; E679-R682 IonicContact OE1-NH1 3.05Å; E679-R682 PolarHBondContact OE1-NH1 3.42Å; E679-R682 IonicContact OE1-NH2 2.63Å; E679-R682 IonicContact OE2-CZ 3.92Å; E679-R682 IonicContact OE2-NH1 3.84Å; E679-R682 PolarHBondContact OE2-NH1 2.95Å; E679-R682 IonicContact OE2-NH2 3.56Å; E679-R682 PolarHBondContact OE2-NH2 2.98Å; E679-I683 VanDerWaalsContact O-CG1 3.28Å; E679-I683 WeakPolarHBondContact O-CG1 3.08Å; E679-I683 PolarHBondContact O-N 3.32Å
680	L	84.4	Confident	84.8	Confident	110 Å²	110	92 Å²	92	58%	0.576	44%	0.435	S	S	*	.	H	α-helix	trans	-61.6	-46.2	175.9	-171.5	71	0	0	0	111.3	M676 R677 N678 R682 I683 T684	M676-L680 WeakPolarHBondContact O-CB 3.45Å; M676-L680 PolarHBondContact O-N 2.9Å; R677-L680 PolarHBondContact O-N 3.33Å; N678-L680 VanDerWaalsContact C-N 3.35Å; L680-R682 VanDerWaalsContact C-N 3.29Å; L680-R682 PolarHBondContact O-N 3.46Å; L680-I683 PolarHBondContact O-N 3.37Å; L680-T684 WeakPolarHBondContact O-CB 3.45Å; L680-T684 PolarHBondContact O-N 3.01Å; L680-T684 PolarHBondContact O-OG1 3.48Å
681	I	88.3	Confident	85.5	Confident	74 Å²	74	93.8 Å²	93.8	38%	0.379	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-38.5	176.7	-69.1	164.2	0	0	0	111	R677 N678 K685	R677-I681 HydrophobicContact CG-CD1 4.06Å; R677-I681 VanDerWaalsContact O-CG1 3.26Å; R677-I681 WeakPolarHBondContact O-CG1 2.98Å; R677-I681 PolarHBondContact O-N 2.91Å; N678-I681 PolarHBondContact O-N 3.17Å; I681-K685 HydrophobicContact CG2-CD 4.27Å; I681-K685 WeakPolarHBondContact O-CB 3.18Å; I681-K685 VanDerWaalsContact O-CG 3.3Å; I681-K685 WeakPolarHBondContact O-CG 3.27Å; I681-K685 PolarHBondContact O-N 3.42Å
682	R	89.2	Confident	85.9	Confident	129 Å²	129	93.7 Å²	93.7	49%	0.487	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-47.7	175.8	-169.3	-177.1	75.5	-138.7	-6.6	111	N678 E679 L680 T684 K685 E686	N678-R682 PolarHBondContact O-N 2.77Å; E679-R682 WeakPolarHBondContact O-CB 3.34Å; E679-R682 PolarHBondContact O-N 3.01Å; E679-R682 IonicContact OE1-CZ 3.12Å; E679-R682 IonicContact OE1-NH1 3.05Å; E679-R682 PolarHBondContact OE1-NH1 3.42Å; E679-R682 IonicContact OE1-NH2 2.63Å; E679-R682 IonicContact OE2-CZ 3.92Å; E679-R682 IonicContact OE2-NH1 3.84Å; E679-R682 PolarHBondContact OE2-NH1 2.95Å; E679-R682 IonicContact OE2-NH2 3.56Å; E679-R682 PolarHBondContact OE2-NH2 2.98Å; L680-R682 VanDerWaalsContact C-N 3.29Å; L680-R682 PolarHBondContact O-N 3.46Å; R682-T684 VanDerWaalsContact C-N 3.35Å; R682-K685 PolarHBondContact O-N 3.35Å; R682-E686 WeakPolarHBondContact O-CB 3.43Å; R682-E686 PolarHBondContact O-N 3.48Å
683	I	88.1	Confident	86	Confident	90 Å²	90	96.6 Å²	96.6	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-40.2	178.6	-67.4	165.5	0	0	0	110.8	E679 L680 E686 K687	E679-I683 VanDerWaalsContact O-CG1 3.28Å; E679-I683 WeakPolarHBondContact O-CG1 3.08Å; E679-I683 PolarHBondContact O-N 3.32Å; L680-I683 PolarHBondContact O-N 3.37Å; I683-E686 PolarHBondContact O-N 3.14Å; I683-K687 VanDerWaalsContact O-CB 3.32Å; I683-K687 WeakPolarHBondContact O-CB 3.26Å; I683-K687 PolarHBondContact O-N 3.32Å
684	T	89.8	Confident	86.1	Confident	62 Å²	62	96.1 Å²	96.1	38%	0.38	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175.1	-58.4	0	0	0	0	110.9	L680 R682 E686 K687 D688	L680-T684 WeakPolarHBondContact O-CB 3.45Å; L680-T684 PolarHBondContact O-N 3.01Å; L680-T684 PolarHBondContact O-OG1 3.48Å; R682-T684 VanDerWaalsContact C-N 3.35Å; T684-E686 VanDerWaalsContact C-N 3.31Å; T684-E686 PolarHBondContact O-N 3.09Å; T684-K687 WeakPolarHBondContact O-CB 3.35Å; T684-K687 PolarHBondContact O-N 3.22Å; T684-D688 WeakPolarHBondContact O-CB 3.45Å; T684-D688 PolarHBondContact O-N 2.96Å
685	K	90.4	Very high	86.2	Confident	144 Å²	144	96.4 Å²	96.4	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-61.1	-40.2	175.5	-74.6	176.1	179.8	-176.5	0	112.6	I681 R682 D688 E689	I681-K685 HydrophobicContact CG2-CD 4.27Å; I681-K685 WeakPolarHBondContact O-CB 3.18Å; I681-K685 VanDerWaalsContact O-CG 3.3Å; I681-K685 WeakPolarHBondContact O-CG 3.27Å; I681-K685 PolarHBondContact O-N 3.42Å; R682-K685 PolarHBondContact O-N 3.35Å; K685-D688 PolarHBondContact O-N 3.22Å; K685-E689 VanDerWaalsContact O-CB 3.29Å; K685-E689 WeakPolarHBondContact O-CB 3.34Å; K685-E689 PolarHBondContact O-N 3.25Å
686	E	93.4	Very high	85.9	Confident	110 Å²	110	94.1 Å²	94.1	51%	0.514	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-43.6	175.7	-174.9	177.3	176.1	0	0	111	R682 I683 T684 E689 L690	R682-E686 WeakPolarHBondContact O-CB 3.43Å; R682-E686 PolarHBondContact O-N 3.48Å; I683-E686 PolarHBondContact O-N 3.14Å; T684-E686 VanDerWaalsContact C-N 3.31Å; T684-E686 PolarHBondContact O-N 3.09Å; E686-E689 PolarHBondContact O-N 3.28Å; E686-L690 HydrophobicContact CG-CD1 4.18Å; E686-L690 WeakPolarHBondContact O-CB 3.48Å; E686-L690 VanDerWaalsContact O-CG 3.24Å; E686-L690 WeakPolarHBondContact O-CG 3.31Å; E686-L690 PolarHBondContact O-N 3.36Å
687	K	89.9	Confident	85.3	Confident	116 Å²	116	97.2 Å²	97.2	50%	0.504	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-48.5	173.9	-178.8	-170	164.3	-173.7	0	111.5	I683 T684 E689 L690 E691	I683-K687 VanDerWaalsContact O-CB 3.32Å; I683-K687 WeakPolarHBondContact O-CB 3.26Å; I683-K687 PolarHBondContact O-N 3.32Å; T684-K687 WeakPolarHBondContact O-CB 3.35Å; T684-K687 PolarHBondContact O-N 3.22Å; K687-E689 VanDerWaalsContact C-N 3.3Å; K687-E689 PolarHBondContact O-N 3.11Å; K687-L690 PolarHBondContact O-N 3.29Å; K687-E691 WeakPolarHBondContact CE-OE1 3.21Å; K687-E691 HydrophobicContact CG-CG 4.48Å; K687-E691 IonicContact NZ-OE1 3Å; K687-E691 WeakPolarHBondContact O-CB 2.99Å; K687-E691 WeakPolarHBondContact O-CG 3.32Å; K687-E691 PolarHBondContact O-N 3.42Å
688	D	88.7	Confident	84.9	Confident	85 Å²	85	101.3 Å²	101.3	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-63.6	-38.4	-179.7	-62.7	-18.5	0	0	0	111.1	T684 K685 R692	T684-D688 WeakPolarHBondContact O-CB 3.45Å; T684-D688 PolarHBondContact O-N 2.96Å; K685-D688 PolarHBondContact O-N 3.22Å; D688-R692 WeakPolarHBondContact O-CB 3.31Å; D688-R692 PolarHBondContact O-N 3.4Å
689	E	87.9	Confident	84.1	Confident	60 Å²	60	104.6 Å²	104.6	28%	0.28	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-44.7	174.1	-176.4	62.8	-139.6	0	0	111.6	K685 E686 K687 R692 Q693	K685-E689 VanDerWaalsContact O-CB 3.29Å; K685-E689 WeakPolarHBondContact O-CB 3.34Å; K685-E689 PolarHBondContact O-N 3.25Å; E686-E689 PolarHBondContact O-N 3.28Å; K687-E689 VanDerWaalsContact C-N 3.3Å; K687-E689 PolarHBondContact O-N 3.11Å; E689-R692 PolarHBondContact O-N 3.32Å; E689-R692 IonicContact OE1-CZ 3.49Å; E689-R692 IonicContact OE1-NE 3.59Å; E689-R692 IonicContact OE1-NH2 3.38Å; E689-R692 PolarHBondContact OE1-NH2 2.74Å; E689-R692 IonicContact OE2-CZ 3.24Å; E689-R692 VanDerWaalsContact OE2-CZ 3.24Å; E689-R692 IonicContact OE2-NE 3.78Å; E689-R692 IonicContact OE2-NH1 2.61Å; E689-R692 IonicContact OE2-NH2 2.68Å; E689-R692 PolarHBondContact OE2-NH2 3.48Å; E689-Q693 WeakPolarHBondContact O-CG 3.47Å; E689-Q693 PolarHBondContact O-N 2.93Å; E689-Q693 PolarHBondContact OE1-NE2 2.74Å
690	L	85.9	Confident	83.4	Confident	96 Å²	96	102.9 Å²	102.9	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-65.1	-41.1	176.7	-72.8	170.4	0	0	0	111.8	E686 K687 R692 Q693 L694	E686-L690 HydrophobicContact CG-CD1 4.18Å; E686-L690 WeakPolarHBondContact O-CB 3.48Å; E686-L690 VanDerWaalsContact O-CG 3.24Å; E686-L690 WeakPolarHBondContact O-CG 3.31Å; E686-L690 PolarHBondContact O-N 3.36Å; K687-L690 PolarHBondContact O-N 3.29Å; L690-R692 VanDerWaalsContact C-N 3.34Å; L690-Q693 PolarHBondContact O-N 2.87Å; L690-L694 VanDerWaalsContact O-CB 3.31Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 PolarHBondContact O-N 3.07Å
691	E	86.4	Confident	82.1	Confident	98 Å²	98	99.8 Å²	99.8	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-39.8	174.5	-76.8	-175.4	177.8	0	0	111.4	K687 L694 M695	K687-E691 WeakPolarHBondContact CE-OE1 3.21Å; K687-E691 HydrophobicContact CG-CG 4.48Å; K687-E691 IonicContact NZ-OE1 3Å; K687-E691 WeakPolarHBondContact O-CB 2.99Å; K687-E691 WeakPolarHBondContact O-CG 3.32Å; K687-E691 PolarHBondContact O-N 3.42Å; E691-L694 PolarHBondContact O-N 2.9Å; E691-M695 WeakPolarHBondContact O-CB 3.49Å; E691-M695 VanDerWaalsContact O-CG 3.28Å; E691-M695 WeakPolarHBondContact O-CG 3.48Å; E691-M695 PolarHBondContact O-N 2.73Å
692	R	83	Confident	80.7	Confident	112 Å²	112	98.9 Å²	98.9	42%	0.423	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-43.7	174.8	-172.8	-180	69.8	-177.4	2.3	112.1	D688 E689 L690 L694 M695 G696	D688-R692 WeakPolarHBondContact O-CB 3.31Å; D688-R692 PolarHBondContact O-N 3.4Å; E689-R692 PolarHBondContact O-N 3.32Å; E689-R692 IonicContact OE1-CZ 3.49Å; E689-R692 IonicContact OE1-NE 3.59Å; E689-R692 IonicContact OE1-NH2 3.38Å; E689-R692 PolarHBondContact OE1-NH2 2.74Å; E689-R692 IonicContact OE2-CZ 3.24Å; E689-R692 VanDerWaalsContact OE2-CZ 3.24Å; E689-R692 IonicContact OE2-NE 3.78Å; E689-R692 IonicContact OE2-NH1 2.61Å; E689-R692 IonicContact OE2-NH2 2.68Å; E689-R692 PolarHBondContact OE2-NH2 3.48Å; L690-R692 VanDerWaalsContact C-N 3.34Å; R692-L694 VanDerWaalsContact C-N 3.35Å; R692-M695 PolarHBondContact O-N 2.73Å; R692-G696 PolarHBondContact O-N 3.37Å
693	Q	83.2	Confident	79.2	Confident	77 Å²	77	96.9 Å²	96.9	36%	0.36	47%	0.465	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.9	-72.9	174.8	13.1	0	0	110.8	E689 L690 M695 G696 F697	E689-Q693 WeakPolarHBondContact O-CG 3.47Å; E689-Q693 PolarHBondContact O-N 2.93Å; E689-Q693 PolarHBondContact OE1-NE2 2.74Å; L690-Q693 PolarHBondContact O-N 2.87Å; Q693-M695 PolarHBondContact O-N 3.27Å; Q693-G696 WeakPolarHBondContact O-CA 3.41Å; Q693-G696 PolarHBondContact O-N 3.33Å; Q693-G696 VanDerWaalsContact O-N 3.11Å; Q693-F697 WeakPolarHBondContact O-CD2 3.12Å; Q693-F697 PolarHBondContact O-N 3.08Å
694	L	80.8	Confident	77.5	Confident	123 Å²	123	94.2 Å²	94.2	64%	0.644	45%	0.451	S	S	*	.	H	α-helix	trans	-61.6	-42.4	177.3	-172	69.3	0	0	0	112.1	L690 E691 R692 G696 F697 R698	L690-L694 VanDerWaalsContact O-CB 3.31Å; L690-L694 WeakPolarHBondContact O-CB 3.45Å; L690-L694 PolarHBondContact O-N 3.07Å; E691-L694 PolarHBondContact O-N 2.9Å; R692-L694 VanDerWaalsContact C-N 3.35Å; L694-G696 VanDerWaalsContact C-N 3.34Å; L694-F697 PolarHBondContact O-N 2.89Å; L694-R698 WeakPolarHBondContact O-CB 3.31Å; L694-R698 PolarHBondContact O-N 3.22Å
695	M	80.1	Confident	75.5	Confident	117 Å²	117	96.5 Å²	96.5	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-60.3	-43.7	171.4	-77.8	-103.1	-150.8	0	0	111.4	E691 R692 Q693 R698 M699	E691-M695 WeakPolarHBondContact O-CB 3.49Å; E691-M695 VanDerWaalsContact O-CG 3.28Å; E691-M695 WeakPolarHBondContact O-CG 3.48Å; E691-M695 PolarHBondContact O-N 2.73Å; R692-M695 PolarHBondContact O-N 2.73Å; Q693-M695 PolarHBondContact O-N 3.27Å; M695-R698 PolarHBondContact O-N 3.12Å; M695-M699 WeakPolarHBondContact O-CB 3.37Å; M695-M699 VanDerWaalsContact O-CG 3.28Å; M695-M699 WeakPolarHBondContact O-CG 3.46Å; M695-M699 PolarHBondContact O-N 3.2Å
696	G	75.2	Confident	73.7	Confident	3 Å²	3	92.5 Å²	92.5	3%	0.031	45%	0.451	C	S	.	.	H	α-helix	trans	-56.3	-53.3	174.8	0	0	0	0	0	112	R692 Q693 L694 R698 M699 G700 L701 M714	R692-G696 PolarHBondContact O-N 3.37Å; Q693-G696 WeakPolarHBondContact O-CA 3.41Å; Q693-G696 PolarHBondContact O-N 3.33Å; Q693-G696 VanDerWaalsContact O-N 3.11Å; L694-G696 VanDerWaalsContact C-N 3.34Å; G696-R698 VanDerWaalsContact C-N 3.32Å; G696-R698 PolarHBondContact O-N 3.22Å; G696-M699 CarbonylContact O-C 3.57Å; G696-M699 PolarHBondContact O-N 3.21Å; G696-G700 PolarHBondContact O-N 3.05Å; G696-G700 VanDerWaalsContact O-N 3.1Å; G696-L701 CarbonylContact C-O 3.34Å; G696-L701 PolarHBondContact O-N 3.38Å; G696-M714 VanDerWaalsContact CA-CE 3.4Å
697	F	71.6	Confident	71.9	Confident	162 Å²	162	97.5 Å²	97.5	71%	0.711	47%	0.465	S	S	*	.	H	α-helix	trans	-57.7	-42.7	175.5	-78.3	-68.9	0	0	0	112.6	Q693 L694 M699 G700	Q693-F697 WeakPolarHBondContact O-CD2 3.12Å; Q693-F697 PolarHBondContact O-N 3.08Å; L694-F697 PolarHBondContact O-N 2.89Å; F697-M699 VanDerWaalsContact C-N 3.34Å; F697-M699 PolarHBondContact O-N 3.42Å; F697-G700 PolarHBondContact O-N 3.34Å; F697-G700 VanDerWaalsContact O-N 3.15Å
698	R	74.9	Confident	70.1	Confident	218 Å²	218	96.4 Å²	96.4	82%	0.823	47%	0.468	S	S	*	.	H	α-helix	trans	-66.2	-34.7	179.2	-174.8	174.1	175.8	178.1	-1.1	113	L694 M695 G696 G700	L694-R698 WeakPolarHBondContact O-CB 3.31Å; L694-R698 PolarHBondContact O-N 3.22Å; M695-R698 PolarHBondContact O-N 3.12Å; G696-R698 VanDerWaalsContact C-N 3.32Å; G696-R698 PolarHBondContact O-N 3.22Å; R698-G700 VanDerWaalsContact C-N 3.26Å
699	M	69.4	Low	68	Low	142 Å²	142	97.7 Å²	97.7	70%	0.7	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.6	175.7	-65.5	-64.1	-136.4	0	0	113	M695 G696 F697 L701	M695-M699 WeakPolarHBondContact O-CB 3.37Å; M695-M699 VanDerWaalsContact O-CG 3.28Å; M695-M699 WeakPolarHBondContact O-CG 3.46Å; M695-M699 PolarHBondContact O-N 3.2Å; G696-M699 CarbonylContact O-C 3.57Å; G696-M699 PolarHBondContact O-N 3.21Å; F697-M699 VanDerWaalsContact C-N 3.34Å; F697-M699 PolarHBondContact O-N 3.42Å; M699-L701 HydrophobicContact CB-CD1 3.8Å; M699-L701 HydrophobicContact CB-CG 3.87Å; M699-L701 HydrophobicContact CG-CD1 4.49Å; M699-L701 PolarHBondContact O-N 3.08Å
700	G	70.1	Confident	66.1	Low	32 Å²	32	97.1 Å²	97.1	33%	0.33	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	26.5	-173	0	0	0	0	0	113.1	G696 F697 R698 L717	G696-G700 PolarHBondContact O-N 3.05Å; G696-G700 VanDerWaalsContact O-N 3.1Å; F697-G700 PolarHBondContact O-N 3.34Å; F697-G700 VanDerWaalsContact O-N 3.15Å; R698-G700 VanDerWaalsContact C-N 3.26Å; G700-L717 WeakPolarHBondContact O-CB 3.35Å; G700-L717 PolarHBondContact O-N 2.82Å
701	L	57.8	Low	64.3	Low	45 Å²	45	98.5 Å²	98.5	24%	0.236	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.6	175.7	-63.7	169.2	0	0	0	109	G696 M699 M714 L715 P716	G696-L701 CarbonylContact C-O 3.34Å; G696-L701 PolarHBondContact O-N 3.38Å; M699-L701 HydrophobicContact CB-CD1 3.8Å; M699-L701 HydrophobicContact CB-CG 3.87Å; M699-L701 HydrophobicContact CG-CD1 4.49Å; M699-L701 PolarHBondContact O-N 3.08Å; L701-M714 HydrophobicContact CB-CB 4.34Å; L701-M714 HydrophobicContact CB-CE 3.51Å; L701-M714 HydrophobicContact CD1-CB 4.22Å; L701-M714 HydrophobicContact CD1-CE 3.71Å; L701-M714 HydrophobicContact CD1-SD 4.46Å; L701-M714 HydrophobicContact CD2-CB 4.48Å; L701-M714 HydrophobicContact CG-CE 4.23Å; L701-L715 WeakPolarHBondContact CA-O 3.47Å; L701-L715 VanDerWaalsContact CD2-C 3.42Å; L701-P716 HydrophobicContact CD2-CB 4.43Å; L701-P716 HydrophobicContact CD2-CG 4.08Å; L701-P716 VanDerWaalsContact CD2-N 3.35Å
702	V	58.6	Low	62.3	Low	56 Å²	56	100.2 Å²	100.2	34%	0.339	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.1	171.9	176.7	0	0	0	0	108.3	I704 L715 L717 I720	V702-I704 PolarHBondContact O-N 2.97Å; V702-L715 PolarHBondContact N-O 2.71Å; V702-L717 HydrophobicContact CG2-CD1 3.38Å; V702-I720 HydrophobicContact CB-CD1 4.37Å
703	Q	57	Low	60.8	Low	86 Å²	86	97.2 Å²	97.2	40%	0.402	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	115.5	173.4	-173.5	173	-0.5	0	0	108.8
704	I	54.1	Low	59.2	Low	34 Å²	34	97.3 Å²	97.3	17%	0.174	50%	0.5	C	S	.	.			trans	-90.1	134.3	173.1	-50.7	-167.2	0	0	0	108.7	V702 T708 L715 I720	V702-I704 PolarHBondContact O-N 2.97Å; I704-T708 WeakPolarHBondContact CG2-OG1 3.35Å; I704-L715 HydrophobicContact CD1-CB 4.22Å; I704-L715 HydrophobicContact CD1-CD1 3.59Å; I704-L715 HydrophobicContact CD1-CG 4.46Å; I704-L715 HydrophobicContact CG1-CD1 4.48Å; I704-I720 HydrophobicContact CD1-CD1 3.93Å; I704-I720 HydrophobicContact CD1-CG1 4.1Å; I704-I720 HydrophobicContact CG1-CD1 4.41Å
705	D	47.9	Very low	57.9	Low	110 Å²	110	93.9 Å²	93.9	59%	0.588	48%	0.482	S	S	*	.			trans	-63.4	139.8	-179.5	-152.8	1.1	0	0	0	110.5	R707 T708	D705-R707 PolarHBondContact O-N 3.03Å; D705-T708 PolarHBondContact O-N 3.46Å; D705-T708 PolarHBondContact O-OG1 2.85Å
706	S	52.4	Low	56.7	Low	61 Å²	61	91.4 Å²	91.4	43%	0.427	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-3.8	-171.3	54.5	0	0	0	0	114.1	T708 G710	S706-T708 VanDerWaalsContact C-N 3.26Å; S706-T708 PolarHBondContact O-N 2.93Å; S706-G710 VanDerWaalsContact CB-O 3.24Å; S706-G710 WeakPolarHBondContact CB-O 3.42Å
707	R	55.8	Low	55.5	Low	214 Å²	214	94.7 Å²	94.7	81%	0.808	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.3	176.4	-70.9	-173.5	178.4	-156	0.2	112.9	D705	D705-R707 PolarHBondContact O-N 3.03Å
708	T	51.8	Low	54.6	Low	93 Å²	93	95 Å²	95	57%	0.571	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-33.6	-178.5	46.5	0	0	0	0	113.6	I704 D705 S706	I704-T708 WeakPolarHBondContact CG2-OG1 3.35Å; D705-T708 PolarHBondContact O-N 3.46Å; D705-T708 PolarHBondContact O-OG1 2.85Å; S706-T708 VanDerWaalsContact C-N 3.26Å; S706-T708 PolarHBondContact O-N 2.93Å
709	H	44.4	Very low	53.5	Low	113 Å²	113	87.3 Å²	87.3	52%	0.523	48%	0.475	S	S	.	.	S	Bend	trans	-141.5	78	-173.4	-58.8	-59	0	0	0	113.1
710	G	48.7	Very low	52.4	Low	48 Å²	48	82.4 Å²	82.4	50%	0.495	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-160.5	162.3	0	0	0	0	0	115.2	S706 K712	S706-G710 VanDerWaalsContact CB-O 3.24Å; S706-G710 WeakPolarHBondContact CB-O 3.42Å; G710-K712 PolarHBondContact O-N 2.89Å
711	P	46.3	Very low	51.1	Low	125 Å²	125	87 Å²	87	81%	0.812	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	124.9	177.5	24.6	-30.5	0	0	0	109.8	S713	P711-S713 PolarHBondContact O-N 3.47Å
712	K	45.5	Very low	50.7	Low	133 Å²	133	87.6 Å²	87.6	58%	0.578	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-11.1	85.4	177.9	-66.8	178.7	175.8	-175.5	0	113.6	G710	G710-K712 PolarHBondContact O-N 2.89Å
713	S	50.8	Low	50	Low	50 Å²	50	89.5 Å²	89.5	35%	0.35	50%	0.5	S	S	.	.			trans	-89	138.5	-179.8	-174	0	0	0	0	110.4	P711	P711-S713 PolarHBondContact O-N 3.47Å
714	M	51.2	Low	49.1	Very low	78 Å²	78	90.6 Å²	90.6	38%	0.384	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122	170.5	-64	-167.2	70	0	0	108.4	G696 L701	G696-M714 VanDerWaalsContact CA-CE 3.4Å; L701-M714 HydrophobicContact CB-CB 4.34Å; L701-M714 HydrophobicContact CB-CE 3.51Å; L701-M714 HydrophobicContact CD1-CB 4.22Å; L701-M714 HydrophobicContact CD1-CE 3.71Å; L701-M714 HydrophobicContact CD1-SD 4.46Å; L701-M714 HydrophobicContact CD2-CB 4.48Å; L701-M714 HydrophobicContact CG-CE 4.23Å
715	L	53.4	Low	48.1	Very low	52 Å²	52	91.8 Å²	91.8	27%	0.272	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	-178.1	-81.7	174.2	0	0	0	110.3	L701 V702 I704 S719	L701-L715 WeakPolarHBondContact CA-O 3.47Å; L701-L715 VanDerWaalsContact CD2-C 3.42Å; V702-L715 PolarHBondContact N-O 2.71Å; I704-L715 HydrophobicContact CD1-CB 4.22Å; I704-L715 HydrophobicContact CD1-CD1 3.59Å; I704-L715 HydrophobicContact CD1-CG 4.46Å; I704-L715 HydrophobicContact CG1-CD1 4.48Å; L715-S719 WeakPolarHBondContact CB-OG 3.45Å
716	P	53.1	Low	47.5	Very low	64 Å²	64	94.2 Å²	94.2	42%	0.416	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	140.5	172	-24.5	32.9	0	0	0	110.7	L701 E718 S719	L701-P716 HydrophobicContact CD2-CB 4.43Å; L701-P716 HydrophobicContact CD2-CG 4.08Å; L701-P716 VanDerWaalsContact CD2-N 3.35Å; P716-E718 PolarHBondContact O-N 2.82Å; P716-S719 WeakPolarHBondContact CD-OG 3.29Å; P716-S719 WeakPolarHBondContact O-CB 3.46Å; P716-S719 PolarHBondContact O-N 2.9Å; P716-S719 PolarHBondContact O-OG 2.88Å
717	L	50.3	Low	46.3	Very low	73 Å²	73	96.7 Å²	96.7	38%	0.382	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-51.5	-34	176.5	-159.6	77.1	0	0	0	111.8	G700 V702 S719 I720 L723	G700-L717 WeakPolarHBondContact O-CB 3.35Å; G700-L717 PolarHBondContact O-N 2.82Å; V702-L717 HydrophobicContact CG2-CD1 3.38Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 3.32Å; L717-I720 PolarHBondContact O-N 2.89Å; L717-L723 HydrophobicContact CD1-CD2 4.07Å
718	E	52.4	Low	44.9	Very low	169 Å²	169	96.5 Å²	96.5	79%	0.79	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-66.2	-26.6	177	-63	-178.4	172.3	0	0	113.9	P716 I720	P716-E718 PolarHBondContact O-N 2.82Å; E718-I720 PolarHBondContact O-N 3.41Å
719	S	52.1	Low	43.7	Very low	56 Å²	56	98.9 Å²	98.9	39%	0.392	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-80.2	-3.7	179.4	67.5	0	0	0	0	113.6	L715 P716 L717 P721	L715-S719 WeakPolarHBondContact CB-OG 3.45Å; P716-S719 WeakPolarHBondContact CD-OG 3.29Å; P716-S719 WeakPolarHBondContact O-CB 3.46Å; P716-S719 PolarHBondContact O-N 2.9Å; P716-S719 PolarHBondContact O-OG 2.88Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 3.32Å; S719-P721 WeakPolarHBondContact O-CD 3.34Å
720	I	47	Very low	42.8	Very low	38 Å²	38	99.4 Å²	99.4	20%	0.195	58%	0.583	C	S	.	*	S	Bend	trans	-96.3	98.3	171.8	-54.1	176.5	0	0	0	108.4	V702 I704 L717 E718 G722 L723	V702-I720 HydrophobicContact CB-CD1 4.37Å; I704-I720 HydrophobicContact CD1-CD1 3.93Å; I704-I720 HydrophobicContact CD1-CG1 4.1Å; I704-I720 HydrophobicContact CG1-CD1 4.41Å; L717-I720 PolarHBondContact O-N 2.89Å; E718-I720 PolarHBondContact O-N 3.41Å; I720-G722 PolarHBondContact O-N 2.83Å; I720-L723 HydrophobicContact CG2-CD1 4.01Å; I720-L723 PolarHBondContact O-N 2.65Å
721	P	43.6	Very low	41.7	Very low	128 Å²	128	102.2 Å²	102.2	83%	0.831	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	108.2	173.1	24.5	-31.2	0	0	0	108.8	S719	S719-P721 WeakPolarHBondContact O-CD 3.34Å
722	G	48.9	Very low	40.8	Very low	59 Å²	59	104 Å²	104	61%	0.608	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.8	-24.1	179.4	0	0	0	0	0	115.1	I720	I720-G722 PolarHBondContact O-N 2.83Å
723	L	43.3	Very low	39.9	Very low	96 Å²	96	103.5 Å²	103.5	50%	0.503	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.8	-15.3	176.7	-99.1	100.1	0	0	0	114.6	L717 I720 G725	L717-L723 HydrophobicContact CD1-CD2 4.07Å; I720-L723 HydrophobicContact CG2-CD1 4.01Å; I720-L723 PolarHBondContact O-N 2.65Å; L723-G725 PolarHBondContact O-N 2.78Å
724	V	37.3	Very low	38.8	Very low	109 Å²	109	106.5 Å²	106.5	66%	0.661	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-7.9	-179.2	-178.5	0	0	0	0	112.8
725	G	33.7	Very low	37.5	Very low	59 Å²	59	106.3 Å²	106.3	61%	0.608	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-3.9	-176.1	0	0	0	0	0	117.6	L723	L723-G725 PolarHBondContact O-N 2.78Å
726	H	34.9	Very low	36.3	Very low	160 Å²	160	112.3 Å²	112.3	74%	0.741	67%	0.672	S	S	*	*			trans	-114.1	50.4	-171.1	-63.6	-27.1	0	0	0	113.7	R728	H726-R728 PolarHBondContact O-N 2.88Å; H726-R728 VanDerWaalsContact O-N 3.1Å
727	S	27.7	Very low	34.9	Very low	113 Å²	113	116.6 Å²	116.6	79%	0.79	69%	0.691	S	S	*	*			trans	-74.3	79.5	152.5	168.8	0	0	0	0	108.7
728	R	27.1	Very low	33.7	Very low	210 Å²	210	124.5 Å²	124.5	79%	0.792	72%	0.716	S	S	*	*	S	Bend	trans	-176.7	109	158.9	-104.7	167	-139.2	-143.8	5.4	108.8	H726 T730	H726-R728 PolarHBondContact O-N 2.88Å; H726-R728 VanDerWaalsContact O-N 3.1Å; R728-T730 PolarHBondContact O-N 3.25Å
729	T	25.3	Very low	32.4	Very low	143 Å²	143	124.4 Å²	124.4	88%	0.877	72%	0.716	S	S	*	*			trans	5.8	88.8	145	49.9	0	0	0	0	115
730	T	27.3	Very low	31.2	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	73%	0.734	S	S	*	*			trans	-124.6	112.2	165	44.3	0	0	0	0	109.2	R728	R728-T730 PolarHBondContact O-N 3.25Å
731	S	25.2	Very low	30.1	Very low	108 Å²	108	132 Å²	132	76%	0.755	76%	0.761	S	S	*	*			trans	-24.1	135.8	161.7	46	0	0	0	0	115.1
732	I	26.8	Very low	29.1	Very low	161 Å²	161	131 Å²	131	83%	0.826	76%	0.757	S	S	*	*			trans	-32.1	114.5	163.4	-58.4	162.7	0	0	0	110.6	S734	I732-S734 PolarHBondContact O-N 3.07Å
733	P	27.3	Very low	27.9	Very low	124 Å²	124	139 Å²	139	81%	0.805	77%	0.769	S	S	*	*			trans	-73.3	114	174.4	-6.6	22.3	0	0	0	108.7	G735	P733-G735 PolarHBondContact O-N 2.93Å
734	S	26.4	Very low	27.1	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	79%	0.786	S	S	*	*			trans	-69.3	119.3	164.2	51	0	0	0	0	109.8	I732	I732-S734 PolarHBondContact O-N 3.07Å
735	G	24.9	Very low	26.6	Very low	74 Å²	74	144.9 Å²	144.9	76%	0.763	79%	0.791	S	S	*	*			trans	66.9	91.8	151.1	0	0	0	0	0	117	P733	P733-G735 PolarHBondContact O-N 2.93Å
736	E	27.6	Very low	26.1	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	80%	0.803	S	S	*	*			trans	-119.9	122.5	152.3	-76.4	-169.9	160.5	0	0	110.5	W738	E736-W738 PolarHBondContact O-N 3.02Å
737	N	23.8	Very low	25.7	Very low	154 Å²	154	153 Å²	153	82%	0.824	81%	0.81	S	S	*	*			trans	-62.4	105.4	179.4	-80.4	-38.5	0	0	0	111	Q739	N737-Q739 VanDerWaalsContact C-N 3.26Å; N737-Q739 PolarHBondContact O-N 2.99Å
738	W	25.8	Very low	25.6	Very low	239 Å²	239	152.1 Å²	152.1	91%	0.905	81%	0.81	S	S	*	*			trans	-90.2	68.4	159.7	-70.9	86.1	0	0	0	109.5	E736	E736-W738 PolarHBondContact O-N 3.02Å
739	Q	24.8	Very low	25.5	Very low	167 Å²	167	148.3 Å²	148.3	78%	0.78	81%	0.81	S	S	*	*			trans	-88.1	92.3	150.8	-76.1	-172.3	-13.2	0	0	106.2	N737	N737-Q739 VanDerWaalsContact C-N 3.26Å; N737-Q739 PolarHBondContact O-N 2.99Å
740	D	25.8	Very low	25.6	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	81%	0.808	S	S	*	*			trans	165.1	88.1	149.7	-88	-20.7	0	0	0	110.4
741	S	25.5	Very low	25.5	Very low	111 Å²	111	152 Å²	152	78%	0.776	81%	0.813	S	S	*	*			trans	-160.1	60.2	149	-179.1	0	0	0	0	109.6	R743	S741-R743 VanDerWaalsContact C-N 3.29Å; S741-R743 PolarHBondContact O-N 2.81Å; S741-R743 VanDerWaalsContact O-N 3.08Å
742	S	22.7	Very low	25.4	Very low	107 Å²	107	155.2 Å²	155.2	75%	0.748	82%	0.816	S	S	*	*			trans	-73.8	80	162.9	48.5	0	0	0	0	109.5
743	R	23.7	Very low	25.4	Very low	226 Å²	226	152.5 Å²	152.5	85%	0.853	81%	0.808	S	S	*	*			trans	-168.3	71.8	164.2	-113.6	-174.2	-97.3	-161	-1.1	111.7	S741	S741-R743 VanDerWaalsContact C-N 3.29Å; S741-R743 PolarHBondContact O-N 2.81Å; S741-R743 VanDerWaalsContact O-N 3.08Å
744	Y	25.5	Very low	25.2	Very low	220 Å²	220	152.5 Å²	152.5	86%	0.863	81%	0.81	S	S	*	*			trans	-137.6	119.3	151.6	-104.3	-83.6	0	0	0	109.5
745	S	26.3	Very low	25.1	Very low	109 Å²	109	157.4 Å²	157.4	76%	0.762	81%	0.813	S	S	*	*			trans	-67.8	140.5	-172.8	58.2	0	0	0	0	112.7	K747	S745-K747 PolarHBondContact O-N 3.47Å
746	E	23.6	Very low	25.1	Very low	183 Å²	183	162.9 Å²	162.9	86%	0.855	82%	0.815	S	S	*	*			trans	-35.3	127.4	156.7	-67.8	168	128.2	0	0	113.3
747	K	25.8	Very low	24.9	Very low	207 Å²	207	163.3 Å²	163.3	90%	0.9	82%	0.82	S	S	*	*			trans	-178.9	77.7	146.3	-101.7	170	-170.9	-175.8	0	109.9	S745	S745-K747 PolarHBondContact O-N 3.47Å
748	A	26.7	Very low	25	Very low	94 Å²	94	162.8 Å²	162.8	78%	0.777	82%	0.817	S	S	*	*			trans	-164.8	80.7	154.5	0	0	0	0	0	108.3	L750	A748-L750 PolarHBondContact O-N 3.06Å
749	V	24.7	Very low	24.9	Very low	131 Å²	131	158.7 Å²	158.7	79%	0.794	81%	0.813	S	S	*	*			trans	-69.9	94.4	169.1	177.7	0	0	0	0	107.3	Q751	V749-Q751 HydrophobicContact CG1-CG 4.38Å
750	L	27.8	Very low	25.1	Very low	162 Å²	162	156.3 Å²	156.3	85%	0.848	81%	0.812	S	S	*	*			trans	-117.2	100.1	160.4	-82.5	169.2	0	0	0	107.4	A748 Q752	A748-L750 PolarHBondContact O-N 3.06Å; L750-Q752 PolarHBondContact O-N 3.06Å
751	Q	24.3	Very low	25	Very low	182 Å²	182	155.3 Å²	155.3	85%	0.85	81%	0.811	S	S	*	*			trans	-60.2	98.9	173.8	-71.1	168.7	-19.4	0	0	109.3	V749	V749-Q751 HydrophobicContact CG1-CG 4.38Å
752	Q	24.4	Very low	25.1	Very low	176 Å²	176	155 Å²	155	82%	0.822	81%	0.808	S	S	*	*			trans	-106.2	120.2	157.1	-91.8	-174	-12.6	0	0	108.6	L750 C754	L750-Q752 PolarHBondContact O-N 3.06Å; Q752-C754 PolarHBondContact O-N 2.78Å
753	P	25	Very low	25.1	Very low	103 Å²	103	157.1 Å²	157.1	67%	0.669	81%	0.811	S	S	*	*			trans	-70.6	111.9	176	12.4	-6.6	0	0	0	109.9	Y755	P753-Y755 PolarHBondContact O-N 3.19Å
754	C	23.4	Very low	25.2	Very low	124 Å²	124	152.2 Å²	152.2	84%	0.838	81%	0.806	S	S	*	*			trans	-67.5	107	168.3	-69.2	0	0	0	0	109.8	Q752 K756	Q752-C754 PolarHBondContact O-N 2.78Å; C754-K756 PolarHBondContact O-N 3.28Å
755	Y	25.5	Very low	25.2	Very low	217 Å²	217	151.2 Å²	151.2	85%	0.851	81%	0.806	S	S	*	*			trans	-70.7	109.9	162.8	-72.9	-83.7	0	0	0	108.9	P753 M757	P753-Y755 PolarHBondContact O-N 3.19Å; Y755-M757 PolarHBondContact O-N 3.16Å
756	K	24.5	Very low	24.9	Very low	188 Å²	188	156.3 Å²	156.3	82%	0.817	81%	0.811	S	S	*	*			trans	-66.2	108.5	169.2	-76.9	179	173.8	178.6	0	109.1	C754 N758	C754-K756 PolarHBondContact O-N 3.28Å; K756-N758 PolarHBondContact O-N 3.12Å
757	M	23	Very low	24.8	Very low	187 Å²	187	156.2 Å²	156.2	92%	0.921	81%	0.81	S	S	*	*			trans	-76.3	104.1	161.2	-97.9	178	163.5	0	0	108.2	Y755 N759	Y755-M757 PolarHBondContact O-N 3.16Å; M757-N759 PolarHBondContact O-N 3.13Å
758	N	26.8	Very low	24.6	Very low	143 Å²	143	156.7 Å²	156.7	77%	0.765	81%	0.808	S	S	*	*			trans	-76.1	114.1	167.9	-70.8	-21.1	0	0	0	108.3	K756 P760	K756-N758 PolarHBondContact O-N 3.12Å; N758-P760 WeakPolarHBondContact O-CD 3.49Å
759	N	23	Very low	24.5	Very low	153 Å²	153	159.7 Å²	159.7	82%	0.818	81%	0.811	S	S	*	*			trans	-72.9	122.9	164.4	-93.1	-22.9	0	0	0	109.8	M757	M757-N759 PolarHBondContact O-N 3.13Å
760	P	29	Very low	24.4	Very low	117 Å²	117	157.9 Å²	157.9	76%	0.76	80%	0.804	S	S	*	*			trans	-95.5	108.9	154.6	29.1	-15.5	0	0	0	108.6	N758 S762	N758-P760 WeakPolarHBondContact O-CD 3.49Å; P760-S762 PolarHBondContact O-N 3.16Å
761	V	24.3	Very low	24.4	Very low	121 Å²	121	159.2 Å²	159.2	73%	0.733	81%	0.806	S	S	*	*			trans	-70.3	112	168	175.5	0	0	0	0	108
762	S	26.8	Very low	24.3	Very low	104 Å²	104	157.9 Å²	157.9	73%	0.727	80%	0.799	S	S	*	*			trans	-113.7	103.2	163.7	46.6	0	0	0	0	109.7	P760 V764	P760-S762 PolarHBondContact O-N 3.16Å; S762-V764 PolarHBondContact O-N 3.38Å
763	N	22.9	Very low	24.5	Very low	152 Å²	152	156.3 Å²	156.3	81%	0.813	80%	0.802	S	S	*	*			trans	-60	113.9	170.8	-79.4	-35.8	0	0	0	110.4
764	V	26.6	Very low	24.4	Very low	124 Å²	124	159.5 Å²	159.5	75%	0.752	81%	0.805	S	S	*	*			trans	-116.2	115.1	162.7	-178.6	0	0	0	0	107.8	S762	S762-V764 PolarHBondContact O-N 3.38Å
765	K	23.8	Very low	24.6	Very low	198 Å²	198	159.2 Å²	159.2	86%	0.861	81%	0.805	S	S	*	*			trans	-64.6	129.7	-176.9	-77.4	174.5	170.8	179.3	0	110.9
766	Y	21.4	Very low	24.5	Very low	217 Å²	217	156.6 Å²	156.6	85%	0.851	80%	0.8	S	S	*	*			trans	-85.2	117.6	163.2	-80.9	-92	0	0	0	109.1
767	E	21.6	Very low	24.7	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	80%	0.803	S	S	*	*			trans	-92.4	112.1	163.8	-81.9	-178.4	166.9	0	0	108.7
768	Y	21.3	Very low	24.8	Very low	217 Å²	217	148.7 Å²	148.7	85%	0.851	79%	0.789	S	S	*	*			trans	-101.8	103.8	178.8	-138.4	-94.3	0	0	0	107.9	S770	Y768-S770 PolarHBondContact O-N 3.34Å
769	N	23.9	Very low	24.6	Very low	157 Å²	157	150.8 Å²	150.8	84%	0.84	79%	0.792	S	S	*	*			trans	-81.9	104.5	174.4	-87.2	-30.5	0	0	0	109.8
770	S	23.4	Very low	24.7	Very low	92 Å²	92	148.9 Å²	148.9	64%	0.643	79%	0.79	S	S	*	*			trans	-78	115.8	169.9	60.7	0	0	0	0	110.4	Y768	Y768-S770 PolarHBondContact O-N 3.34Å
771	Q	26.8	Very low	24.5	Very low	191 Å²	191	148.8 Å²	148.8	89%	0.893	79%	0.79	S	S	*	*			trans	-116.7	105.6	159.5	-74.9	-172.9	-2.8	0	0	108.8
772	H	23.4	Very low	24.6	Very low	153 Å²	153	149 Å²	149	71%	0.708	80%	0.796	S	S	*	*			trans	-73.2	124.8	172.2	-82.4	-81.2	0	0	0	110.3
773	T	27.2	Very low	24.4	Very low	144 Å²	144	150.6 Å²	150.6	88%	0.883	80%	0.797	S	S	*	*			trans	-127.2	96.4	152.9	38.5	0	0	0	0	108.6
774	K	23.8	Very low	24.4	Very low	169 Å²	169	154.1 Å²	154.1	74%	0.735	80%	0.8	S	S	*	*			trans	-77.7	121.5	168	-76.2	175.1	173.5	176.3	0	108.2
775	S	26.7	Very low	24.3	Very low	119 Å²	119	153 Å²	153	83%	0.832	80%	0.798	S	S	*	*			trans	-116.9	115.2	157.4	51.1	0	0	0	0	108.9
776	H	25.3	Very low	24.3	Very low	162 Å²	162	148.6 Å²	148.6	75%	0.75	79%	0.792	S	S	*	*			trans	-77.2	126.3	174.8	-78.4	-97.5	0	0	0	109.2
777	A	27.8	Very low	24.7	Very low	107 Å²	107	145.5 Å²	145.5	88%	0.884	79%	0.79	S	S	*	*			trans	-121.8	125.8	159.1	0	0	0	0	0	108.1
778	T	24.3	Very low	24.8	Very low	102 Å²	102	145.9 Å²	145.9	63%	0.626	79%	0.789	S	S	*	*			trans	-116.7	125.9	-153.6	-47.8	0	0	0	0	107.3
779	F	22.4	Very low	25	Very low	186 Å²	186	144.6 Å²	144.6	82%	0.816	79%	0.788	S	S	*	*			trans	55.3	130.4	151	-69.3	-112.1	0	0	0	118.1
780	S	25.2	Very low	25	Very low	113 Å²	113	146 Å²	146	79%	0.79	79%	0.787	S	S	*	*				-178.9	143.4	71.2	29.3	0	0	0	0	111.1
781	P	25.4	Very low	24.9	Very low	116 Å²	116	148.9 Å²	148.9	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-96.7	131.6	176.3	31.2	-21.8	0	0	0	112
782	S	26.5	Very low	24.7	Very low	124 Å²	124	145.9 Å²	145.9	87%	0.867	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93.1	129.5	173.5	46.2	0	0	0	0	111.8
783	N	21.9	Very low	24.7	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.5	169.4	175.2	-74.7	-45	0	0	0	112.2
784	Y	22.9	Very low	24.7	Very low	227 Å²	227	146.3 Å²	146.3	89%	0.89	79%	0.792	S	S	*	*			trans	84.6	135.3	172.5	-65.5	-90.3	0	0	0	114.6
785	S	25.6	Very low	24.8	Very low	99 Å²	99	149.4 Å²	149.4	69%	0.692	80%	0.801	S	S	*	*			cis	-153.7	140.4	21.9	-175.8	0	0	0	0	109.9
786	S	23.7	Very low	24.8	Very low	106 Å²	106	147 Å²	147	74%	0.741	80%	0.795	S	S	*	*			trans	-88.2	107.8	174.2	52.8	0	0	0	0	110.3
787	D	29	Very low	24.6	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	80%	0.802	S	S	*	*			trans	-100.3	122.1	167.2	-93.6	-35	0	0	0	111.7
788	K	23.7	Very low	24.4	Very low	189 Å²	189	146 Å²	146	82%	0.822	80%	0.798	S	S	*	*			trans	-78.2	118.8	-178.6	-68.6	168.4	174.7	172.1	0	109.7
789	F	26.4	Very low	24.4	Very low	190 Å²	190	144.5 Å²	144.5	83%	0.833	79%	0.792	S	S	*	*			trans	-132.4	103.4	154.1	-90.2	-80.1	0	0	0	112.6
790	K	23.9	Very low	24.4	Very low	186 Å²	186	142.3 Å²	142.3	81%	0.809	79%	0.794	S	S	*	*			trans	35.6	104.4	142.5	-73.8	177.9	175.2	176.4	0	119.3	C792	K790-C792 PolarHBondContact O-N 3Å
791	I	21.8	Very low	24.2	Very low	153 Å²	153	146.4 Å²	146.4	79%	0.785	79%	0.794	S	S	*	*			trans	-49.1	118.1	151.2	-63.8	153.5	0	0	0	110.9	K793	I791-K793 HydrophobicContact CG2-CG 4.06Å
792	C	21.8	Very low	24.1	Very low	129 Å²	129	149.4 Å²	149.4	87%	0.872	80%	0.797	S	S	*	*			trans	-105.7	120.7	151.7	-85.4	0	0	0	0	108	K790	K790-C792 PolarHBondContact O-N 3Å
793	K	23.4	Very low	23.9	Very low	181 Å²	181	151.5 Å²	151.5	79%	0.787	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.7	161.2	178.8	-90.5	-176.9	179.4	-179.1	0	111.7	I791	I791-K793 HydrophobicContact CG2-CG 4.06Å
794	P	26.9	Very low	24	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.6	147.8	-158.9	34.9	-33.1	0	0	0	113.3
795	Y	27.2	Very low	24	Very low	235 Å²	235	149.3 Å²	149.3	92%	0.922	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-90.1	135.1	165	-88.3	-87.5	0	0	0	110.6
796	G	25.5	Very low	23.9	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	80%	0.801	S	S	*	*			trans	84.6	82.5	135.5	0	0	0	0	0	117.2	C798	G796-C798 PolarHBondContact O-N 3.41Å
797	S	21.8	Very low	24	Very low	127 Å²	127	154.1 Å²	154.1	89%	0.888	80%	0.8	S	S	*	*			trans	-44.3	117.2	147.5	44.4	0	0	0	0	112.1
798	C	23.5	Very low	23.8	Very low	120 Å²	120	152.5 Å²	152.5	81%	0.811	80%	0.801	S	S	*	*			trans	-125.3	112.1	164.8	-120.5	0	0	0	0	109.7	G796	G796-C798 PolarHBondContact O-N 3.41Å
799	S	23.6	Very low	23.8	Very low	71 Å²	71	151.2 Å²	151.2	50%	0.497	80%	0.797	S	S	.	*			trans	20.7	112.1	157.3	58.1	0	0	0	0	119.4	Y801	S799-Y801 WeakPolarHBondContact O-CD2 3.36Å; S799-Y801 PolarHBondContact O-N 3.42Å; S799-Y801 VanDerWaalsContact O-N 3.15Å
800	T	22.6	Very low	23.7	Very low	141 Å²	141	147.3 Å²	147.3	87%	0.865	79%	0.794	S	S	*	*			trans	-38.9	106.6	146.1	29.9	0	0	0	0	112.3
801	Y	22.3	Very low	23.6	Very low	199 Å²	199	146.3 Å²	146.3	78%	0.78	80%	0.796	S	S	*	*			trans	-85.4	114.7	159.7	-76.7	-84.4	0	0	0	108.3	S799 M803	S799-Y801 WeakPolarHBondContact O-CD2 3.36Å; S799-Y801 PolarHBondContact O-N 3.42Å; S799-Y801 VanDerWaalsContact O-N 3.15Å; Y801-M803 PolarHBondContact O-N 3.04Å; Y801-M803 VanDerWaalsContact O-N 3.12Å
802	H	21.7	Very low	23.7	Very low	179 Å²	179	145.9 Å²	145.9	83%	0.829	80%	0.795	S	S	*	*			trans	-53.2	111.4	167.4	-100.9	-96.1	0	0	0	109.1	E804	H802-E804 PolarHBondContact O-N 2.89Å
803	M	23.1	Very low	23.8	Very low	168 Å²	168	147.6 Å²	147.6	83%	0.828	80%	0.795	S	S	*	*			trans	-74.3	98.3	165.1	-80.3	-82.2	147.3	0	0	107.2	Y801 N805	Y801-M803 PolarHBondContact O-N 3.04Å; Y801-M803 VanDerWaalsContact O-N 3.12Å; M803-N805 PolarHBondContact O-N 3.06Å
804	E	23.3	Very low	23.8	Very low	174 Å²	174	150.2 Å²	150.2	81%	0.813	80%	0.802	S	S	*	*			trans	-65.6	114.9	167.8	-76.8	-178.5	155	0	0	108.8	H802 N806	H802-E804 PolarHBondContact O-N 2.89Å; E804-N806 PolarHBondContact O-N 3.23Å
805	N	24.1	Very low	23.6	Very low	145 Å²	145	152.9 Å²	152.9	78%	0.775	80%	0.804	S	S	*	*			trans	-64.6	94.6	172.8	-75.7	-36	0	0	0	109.5	M803 M807	M803-N805 PolarHBondContact O-N 3.06Å; N805-M807 PolarHBondContact O-N 3.26Å; N805-M807 VanDerWaalsContact O-N 3.08Å
806	N	23.3	Very low	23.4	Very low	157 Å²	157	146.8 Å²	146.8	84%	0.84	80%	0.795	S	S	*	*			trans	-73.2	97.2	161.5	-88.5	-21.1	0	0	0	108.6	E804 S808	E804-N806 PolarHBondContact O-N 3.23Å; N806-S808 PolarHBondContact O-N 2.86Å; N806-S808 VanDerWaalsContact O-N 3.07Å
807	M	25.2	Very low	23.4	Very low	148 Å²	148	151.7 Å²	151.7	73%	0.729	81%	0.805	S	S	*	*			trans	-56.3	109	162.8	-85.7	-161.7	177.6	0	0	108.8	N805 H809	N805-M807 PolarHBondContact O-N 3.26Å; N805-M807 VanDerWaalsContact O-N 3.08Å; M807-H809 PolarHBondContact O-N 3.2Å; M807-H809 VanDerWaalsContact O-N 3.08Å
808	S	24.8	Very low	23.4	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	80%	0.799	S	S	*	*			trans	-69.1	98.3	165.4	51.6	0	0	0	0	108.5	N806 S810	N806-S808 PolarHBondContact O-N 2.86Å; N806-S808 VanDerWaalsContact O-N 3.07Å; S808-S810 PolarHBondContact O-N 2.77Å
809	H	23.9	Very low	23.5	Very low	163 Å²	163	155.1 Å²	155.1	76%	0.755	80%	0.799	S	S	*	*			trans	-62.5	124.9	169.1	-80.6	-85.9	0	0	0	109.8	M807 L811	M807-H809 PolarHBondContact O-N 3.2Å; M807-H809 VanDerWaalsContact O-N 3.08Å; H809-L811 PolarHBondContact O-N 3.23Å
810	S	24	Very low	23.5	Very low	108 Å²	108	156.5 Å²	156.5	76%	0.755	81%	0.809	S	S	*	*			trans	-55.3	116.4	170.8	172.3	0	0	0	0	109.7	S808 L812	S808-S810 PolarHBondContact O-N 2.77Å; S810-L812 PolarHBondContact O-N 3.42Å
811	L	22.5	Very low	23.7	Very low	164 Å²	164	156.3 Å²	156.3	86%	0.859	81%	0.808	S	S	*	*			trans	-91.6	68.7	-172.9	-153.2	115.4	0	0	0	110	H809	H809-L811 PolarHBondContact O-N 3.23Å
812	L	22.6	Very low	23.9	Very low	145 Å²	145	153.1 Å²	153.1	76%	0.759	81%	0.811	S	S	*	*			trans	-145.8	88.9	171.5	-74.5	175.4	0	0	0	107.7	S810	S810-L812 PolarHBondContact O-N 3.42Å
813	D	24.5	Very low	24	Very low	165 Å²	165	156.3 Å²	156.3	88%	0.882	82%	0.816	S	S	*	*			trans	169.3	102.2	153	-83.1	-20.5	0	0	0	106.9
814	Y	23.9	Very low	24.1	Very low	236 Å²	236	152 Å²	152	93%	0.925	81%	0.807	S	S	*	*			trans	-129.9	89.8	170.9	-123	-86.9	0	0	0	107.9
815	E	23.5	Very low	24.1	Very low	180 Å²	180	149.5 Å²	149.5	84%	0.841	81%	0.809	S	S	*	*			trans	-100.3	127.5	157.8	-78.5	-170.6	157.1	0	0	108.6
816	S	21.6	Very low	24	Very low	106 Å²	106	152.7 Å²	152.7	74%	0.741	81%	0.812	S	S	*	*			trans	23.8	107.7	153.7	56.3	0	0	0	0	118.8
817	L	25.3	Very low	24.1	Very low	172 Å²	172	150.5 Å²	150.5	90%	0.901	81%	0.806	S	S	*	*			trans	-138.8	134.2	148.2	-124.4	101.7	0	0	0	111.1
818	D	23.1	Very low	24	Very low	145 Å²	145	151 Å²	151	78%	0.775	81%	0.81	S	S	*	*			trans	-69.3	160.1	-173.8	-73.9	-52.8	0	0	0	115.2
819	E	24.5	Very low	23.8	Very low	173 Å²	173	155.4 Å²	155.4	81%	0.808	81%	0.81	S	S	*	*			trans	65.8	110.1	140.8	-79.7	-178	164.3	0	0	121.7
820	S	23.3	Very low	23.7	Very low	101 Å²	101	156 Å²	156	71%	0.706	81%	0.813	S	S	*	*				51.7	100.4	129.5	66.8	0	0	0	0	119
821	T	26.8	Very low	23.6	Very low	136 Å²	136	156.8 Å²	156.8	83%	0.834	82%	0.816	S	S	*	*			trans	-146.7	125.2	135.8	30.7	0	0	0	0	110.2	R823	T821-R823 PolarHBondContact O-N 3.24Å
822	P	26.5	Very low	23.6	Very low	132 Å²	132	155.4 Å²	155.4	86%	0.857	81%	0.814	S	S	*	*			trans	-76.4	110.4	178.9	29	-29.6	0	0	0	109.4	A824	P822-A824 PolarHBondContact O-N 3.15Å
823	R	24.7	Very low	23.6	Very low	246 Å²	246	153.5 Å²	153.5	93%	0.928	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.9	120.2	-179.8	-141.1	174.5	-162.6	161.9	4.1	109.8	T821	T821-R823 PolarHBondContact O-N 3.24Å
824	A	25.8	Very low	23.6	Very low	78 Å²	78	155.2 Å²	155.2	65%	0.645	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-52.7	143	-178	0	0	0	0	0	113.6	P822	P822-A824 PolarHBondContact O-N 3.15Å
825	S	22.3	Very low	23.6	Very low	121 Å²	121	152.3 Å²	152.3	85%	0.846	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-56.8	121.8	172.3	32.2	0	0	0	0	112.3
826	Y	23.1	Very low	23.6	Very low	212 Å²	212	149.6 Å²	149.6	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.9	142.8	162.9	-77.9	-85	0	0	0	110.2
827	P	24.8	Very low	23.7	Very low	111 Å²	111	152.2 Å²	152.2	72%	0.721	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.8	135.3	-172.2	15.2	-5.6	0	0	0	112	Y829	P827-Y829 PolarHBondContact O-N 2.75Å
828	I	22.7	Very low	23.6	Very low	158 Å²	158	148.6 Å²	148.6	81%	0.81	80%	0.799	S	S	*	*			trans	-68.5	109.1	177.4	-62.7	165.8	0	0	0	108.9	Q830	I828-Q830 PolarHBondContact O-N 3.41Å
829	Y	21.2	Very low	23.8	Very low	211 Å²	211	151.1 Å²	151.1	83%	0.827	80%	0.804	S	S	*	*			trans	-73.6	110.2	163.4	-94.6	-90.6	0	0	0	108.9	P827 P831	P827-Y829 PolarHBondContact O-N 2.75Å; Y829-P831 VanDerWaalsContact O-CD 3.26Å; Y829-P831 WeakPolarHBondContact O-CD 3.49Å
830	Q	20.4	Very low	24	Very low	175 Å²	175	151.4 Å²	151.4	82%	0.818	80%	0.802	S	S	*	*			trans	-72.4	115.8	170.2	-77.9	179.4	-18.4	0	0	109.9	I828 T832	I828-Q830 PolarHBondContact O-N 3.41Å; Q830-T832 PolarHBondContact O-N 2.91Å
831	P	23.2	Very low	24.3	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	78%	0.783	S	S	*	*			trans	-76.8	120.6	168.4	-7	25.8	0	0	0	108.6	Y829 S833	Y829-P831 VanDerWaalsContact O-CD 3.26Å; Y829-P831 WeakPolarHBondContact O-CD 3.49Å; P831-S833 PolarHBondContact O-N 3.36Å
832	T	22.7	Very low	24.8	Very low	136 Å²	136	143.6 Å²	143.6	83%	0.834	76%	0.758	S	S	*	*			trans	-58.2	119.6	174.7	41	0	0	0	0	111.7	Q830 K834	Q830-T832 PolarHBondContact O-N 2.91Å; T832-K834 PolarHBondContact O-N 2.88Å
833	S	22.8	Very low	25.2	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	73%	0.725	S	S	*	*			trans	-18.9	107.9	159.4	174.1	0	0	0	0	115.4	P831	P831-S833 PolarHBondContact O-N 3.36Å
834	K	24.5	Very low	25.9	Very low	200 Å²	200	129.4 Å²	129.4	87%	0.87	70%	0.697	S	S	*	*			trans	-118.8	108.3	144.8	-75.9	-172.1	178.3	-179	0	107	T832 P836	T832-K834 PolarHBondContact O-N 2.88Å; K834-P836 WeakPolarHBondContact O-CD 3.32Å
835	Q	22.1	Very low	26.6	Very low	175 Å²	175	130.1 Å²	130.1	82%	0.818	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56.2	122	176.4	-73.3	177.6	-19.3	0	0	109.2	L837	Q835-L837 PolarHBondContact O-N 3.41Å
836	P	24.2	Very low	27.2	Very low	123 Å²	123	129.9 Å²	129.9	80%	0.799	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.9	170.9	9.3	-2.3	0	0	0	108.5	K834 S838	K834-P836 WeakPolarHBondContact O-CD 3.32Å; P836-S838 PolarHBondContact O-N 3.15Å; P836-S838 VanDerWaalsContact O-N 3.12Å
837	L	23.4	Very low	27.7	Very low	162 Å²	162	124 Å²	124	85%	0.848	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-47.1	117.2	171	-80.5	140.9	0	0	0	109.3	Q835 F839	Q835-L837 PolarHBondContact O-N 3.41Å; L837-F839 PolarHBondContact O-N 3.17Å; L837-F839 VanDerWaalsContact O-N 3.13Å
838	S	22.8	Very low	28.1	Very low	95 Å²	95	122.4 Å²	122.4	66%	0.664	63%	0.628	S	S	*	*			trans	-66.6	111.5	-179.7	63.9	0	0	0	0	109.8	P836 K840	P836-S838 PolarHBondContact O-N 3.15Å; P836-S838 VanDerWaalsContact O-N 3.12Å; S838-K840 PolarHBondContact O-N 3.32Å; S838-K840 VanDerWaalsContact O-N 3.16Å
839	F	27.4	Very low	28.4	Very low	199 Å²	199	119.9 Å²	119.9	87%	0.873	61%	0.613	S	S	*	*			trans	-61.3	114	167.9	-72.8	-86	0	0	0	109.5	L837 C841	L837-F839 PolarHBondContact O-N 3.17Å; L837-F839 VanDerWaalsContact O-N 3.13Å; F839-C841 PolarHBondContact O-N 3.46Å
840	K	29.8	Very low	28.7	Very low	178 Å²	178	117.4 Å²	117.4	77%	0.774	61%	0.607	S	S	*	*			trans	-88.6	94.9	-177.2	-77.4	-179.7	178.6	172.5	0	110.4	R226 S838	R226-K840 PolarHBondContact NH2-O 3.06Å; S838-K840 PolarHBondContact O-N 3.32Å; S838-K840 VanDerWaalsContact O-N 3.16Å
841	C	29	Very low	29.1	Very low	45 Å²	45	113.8 Å²	113.8	30%	0.304	59%	0.592	S	S	.	*			trans	-53.2	136.9	175.6	159.3	0	0	0	0	113.6	R226 F839 L843	R226-C841 PolarHBondContact NH2-O 2.83Å; F839-C841 PolarHBondContact O-N 3.46Å; C841-L843 PolarHBondContact O-N 2.68Å
842	G	38	Very low	29.3	Very low	29 Å²	29	117 Å²	117	30%	0.299	59%	0.59	S	S	.	*	S	Bend	trans	-30.8	-58.9	179.3	0	0	0	0	0	118.3	R226	R226-G842 VanDerWaalsContact CZ-O 3.25Å; R226-G842 VanDerWaalsContact NH2-N 3.13Å; R226-G842 PolarHBondContact NH2-O 3.39Å
843	L	34.8	Very low	29.4	Very low	32 Å²	32	114.5 Å²	114.5	17%	0.168	58%	0.578	C	S	.	*	S	Bend	trans	-103.7	164.3	-149.5	-69	167.5	0	0	0	114.5	C841 E845	C841-L843 PolarHBondContact O-N 2.68Å; L843-E845 PolarHBondContact O-N 3.08Å
844	S	39.7	Very low	29.6	Very low	48 Å²	48	118.4 Å²	118.4	34%	0.336	58%	0.581	S	S	.	*			trans	-39.4	131.6	171.7	168	0	0	0	0	112.1	K846 R847	S844-K846 PolarHBondContact O-N 2.87Å; S844-K846 PolarHBondContact OG-N 2.93Å; S844-R847 PolarHBondContact O-N 3.37Å
845	E	39.2	Very low	29.6	Very low	92 Å²	92	111.1 Å²	111.1	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-50.2	-18.3	174.7	-83.1	-62	147	0	0	113.3	L843 R847 K848 Q849	L843-E845 PolarHBondContact O-N 3.08Å; E845-R847 PolarHBondContact O-N 3.28Å; E845-K848 CarbonylContact O-C 3.46Å; E845-K848 WeakPolarHBondContact O-CA 3.45Å; E845-K848 PolarHBondContact O-N 2.93Å; E845-K848 IonicContact OE1-NZ 3.44Å; E845-Q849 WeakPolarHBondContact O-CG 3.41Å; E845-Q849 PolarHBondContact O-N 3.32Å
846	K	35.5	Very low	29.7	Very low	117 Å²	117	110.1 Å²	110.1	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-64.3	-30.6	176.1	-69	-168.2	173.6	-179.9	0	114.5	S844 K848 Q849	S844-K846 PolarHBondContact O-N 2.87Å; S844-K846 PolarHBondContact OG-N 2.93Å; K846-K848 VanDerWaalsContact C-N 3.32Å; K846-Q849 PolarHBondContact O-N 3Å
847	R	33	Very low	29.5	Very low	89 Å²	89	114.8 Å²	114.8	34%	0.336	57%	0.565	S	S	.	*	H	α-helix	trans	-73.6	-26	170.9	-93.9	-173.3	-175.9	170.7	4.3	112.1	D268 S844 E845	D268-R847 IonicContact OD2-NH1 3.68Å; S844-R847 PolarHBondContact O-N 3.37Å; E845-R847 PolarHBondContact O-N 3.28Å
848	K	34	Very low	29.4	Very low	77 Å²	77	116.2 Å²	116.2	34%	0.335	57%	0.565	S	S	.	*	H	α-helix	trans	-81.6	-15.2	172	-63	179.9	-170.2	165.8	0	113.4	E845 K846 F850 I851	E845-K848 CarbonylContact O-C 3.46Å; E845-K848 WeakPolarHBondContact O-CA 3.45Å; E845-K848 PolarHBondContact O-N 2.93Å; E845-K848 IonicContact OE1-NZ 3.44Å; K846-K848 VanDerWaalsContact C-N 3.32Å; K848-F850 PolarHBondContact O-N 3.03Å; K848-I851 PolarHBondContact O-N 2.89Å
849	Q	28.2	Very low	29.3	Very low	105 Å²	105	117.2 Å²	117.2	49%	0.491	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-67.2	-8	-169.1	-97.2	-179.9	-7.4	0	0	115.6	E845 K846 I851 Y852 S853	E845-Q849 WeakPolarHBondContact O-CG 3.41Å; E845-Q849 PolarHBondContact O-N 3.32Å; K846-Q849 PolarHBondContact O-N 3Å; Q849-I851 PolarHBondContact O-N 2.89Å; Q849-Y852 PolarHBondContact O-N 2.95Å; Q849-S853 PolarHBondContact O-N 3Å; Q849-S853 VanDerWaalsContact O-N 3.15Å
850	F	28.2	Very low	29	Very low	159 Å²	159	113.2 Å²	113.2	70%	0.697	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-73.9	-7.9	168.2	-77.4	-72.7	0	0	0	114	K848	K848-F850 PolarHBondContact O-N 3.03Å
851	I	28.5	Very low	28.6	Very low	99 Å²	99	113.3 Å²	113.3	51%	0.508	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-84.3	-12.9	170.5	-60.2	179.9	0	0	0	111.9	L350 K848 Q849	L350-I851 HydrophobicContact CD1-CD1 4.43Å; L350-I851 HydrophobicContact CD1-CG1 4.22Å; K848-I851 PolarHBondContact O-N 2.89Å; Q849-I851 PolarHBondContact O-N 2.89Å
852	Y	27.8	Very low	28.3	Very low	193 Å²	193	117.2 Å²	117.2	76%	0.757	59%	0.588	S	S	*	*			trans	-141.5	27.8	-177.6	-71.6	-71.2	0	0	0	115.6	Q849 K854	Q849-Y852 PolarHBondContact O-N 2.95Å; Y852-K854 PolarHBondContact O-N 3.14Å
853	S	25	Very low	27.6	Very low	83 Å²	83	121.8 Å²	121.8	58%	0.58	61%	0.61	S	S	*	*			trans	-68.3	89.8	161	57.5	0	0	0	0	108.5	Q849 G855	Q849-S853 PolarHBondContact O-N 3Å; Q849-S853 VanDerWaalsContact O-N 3.15Å; S853-G855 PolarHBondContact O-N 2.78Å
854	K	26.8	Very low	27.1	Very low	186 Å²	186	129.2 Å²	129.2	81%	0.809	64%	0.641	S	S	*	*			trans	-60.7	60.2	151.3	-71.1	-177.9	174.9	-178.4	0	108.4	Y852 N856	Y852-K854 PolarHBondContact O-N 3.14Å; K854-N856 PolarHBondContact O-N 2.86Å; K854-N856 VanDerWaalsContact O-N 3.14Å
855	G	23.8	Very low	26.3	Very low	48 Å²	48	137.1 Å²	137.1	50%	0.495	67%	0.665	S	S	.	*			trans	-58.3	117.7	165.1	0	0	0	0	0	105.9	S853 W857	S853-G855 PolarHBondContact O-N 2.78Å; G855-W857 PolarHBondContact O-N 2.95Å
856	N	23.6	Very low	25.6	Very low	154 Å²	154	138 Å²	138	82%	0.824	68%	0.68	S	S	*	*			trans	-42.3	103.7	-174.8	-66.4	-34.9	0	0	0	110.4	K854 K858	K854-N856 PolarHBondContact O-N 2.86Å; K854-N856 VanDerWaalsContact O-N 3.14Å; N856-K858 VanDerWaalsContact C-N 3.26Å; N856-K858 PolarHBondContact O-N 2.9Å
857	W	20.4	Very low	25.2	Very low	221 Å²	221	137.6 Å²	137.6	84%	0.837	69%	0.689	S	S	*	*			trans	-62.1	101.5	160.2	-72.1	78.8	0	0	0	104.8	G855 T859	G855-W857 PolarHBondContact O-N 2.95Å; W857-T859 PolarHBondContact O-N 3.47Å
858	K	22.7	Very low	24.9	Very low	192 Å²	192	140.5 Å²	140.5	84%	0.835	71%	0.711	S	S	*	*			trans	-67.4	88.4	156.7	-75.7	-173	177	-176.9	0	104.7	N856 C860	N856-K858 VanDerWaalsContact C-N 3.26Å; N856-K858 PolarHBondContact O-N 2.9Å; K858-C860 VanDerWaalsContact C-N 3.28Å; K858-C860 PolarHBondContact O-N 2.97Å
859	T	20	Very low	24.5	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	73%	0.726	S	S	*	*			trans	-57.8	100.8	160.2	44.1	0	0	0	0	105.4	W857 E861	W857-T859 PolarHBondContact O-N 3.47Å; T859-E861 VanDerWaalsContact C-N 3.33Å; T859-E861 PolarHBondContact O-N 2.87Å
860	C	20.4	Very low	24.6	Very low	116 Å²	116	144.1 Å²	144.1	78%	0.784	75%	0.745	S	S	*	*			trans	-61.3	107	161.3	-71.3	0	0	0	0	105.2	K858 T862	K858-C860 VanDerWaalsContact C-N 3.28Å; K858-C860 PolarHBondContact O-N 2.97Å; C860-T862 VanDerWaalsContact C-N 3.31Å; C860-T862 PolarHBondContact O-N 3.25Å
861	E	21.9	Very low	24.3	Very low	179 Å²	179	146 Å²	146	84%	0.836	75%	0.753	S	S	*	*			trans	-56.2	101.9	166.6	-72.9	177.7	155	0	0	106.6	T859 V863	T859-E861 VanDerWaalsContact C-N 3.33Å; T859-E861 PolarHBondContact O-N 2.87Å; E861-V863 VanDerWaalsContact C-N 3.33Å; E861-V863 PolarHBondContact O-N 3.23Å
862	T	22	Very low	24.3	Very low	128 Å²	128	148.7 Å²	148.7	79%	0.785	77%	0.769	S	S	*	*			trans	-61.8	104.7	164	40.8	0	0	0	0	106	C860 K864	C860-T862 VanDerWaalsContact C-N 3.31Å; C860-T862 PolarHBondContact O-N 3.25Å; T862-K864 PolarHBondContact O-N 2.95Å
863	V	24	Very low	24.2	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	77%	0.768	S	S	*	*			trans	-40.5	107.5	171.8	177.1	0	0	0	0	108.2	E861 Y865	E861-V863 VanDerWaalsContact C-N 3.33Å; E861-V863 PolarHBondContact O-N 3.23Å; V863-Y865 PolarHBondContact O-N 2.99Å
864	K	24.4	Very low	24.1	Very low	188 Å²	188	146.5 Å²	146.5	82%	0.817	78%	0.776	S	S	*	*			trans	-64	104	169.1	-83.5	-177.9	174.6	180	0	106.9	T862 C866	T862-K864 PolarHBondContact O-N 2.95Å; K864-C866 VanDerWaalsContact C-N 3.3Å; K864-C866 PolarHBondContact O-N 2.95Å
865	Y	22.3	Very low	24.2	Very low	215 Å²	215	146.2 Å²	146.2	84%	0.843	78%	0.777	S	S	*	*			trans	-60.5	97.1	157.3	-102.7	-94.7	0	0	0	107.2	V863 P867	V863-Y865 PolarHBondContact O-N 2.99Å; Y865-P867 WeakPolarHBondContact O-CD 3.5Å
866	C	25.8	Very low	24	Very low	109 Å²	109	149.3 Å²	149.3	74%	0.736	79%	0.792	S	S	*	*			trans	-91.8	114.1	159	-81.8	0	0	0	0	107.3	K864	K864-C866 VanDerWaalsContact C-N 3.3Å; K864-C866 PolarHBondContact O-N 2.95Å
867	P	25.6	Very low	24.1	Very low	109 Å²	109	147.2 Å²	147.2	71%	0.708	79%	0.786	S	S	*	*			trans	-90.4	109.2	165.9	32.6	-21.5	0	0	0	107.7	Y865	Y865-P867 WeakPolarHBondContact O-CD 3.5Å
868	D	28.3	Very low	24.3	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	79%	0.79	S	S	*	*			trans	-163.5	96.5	158.8	-85.7	-33.4	0	0	0	105.5
869	S	25.3	Very low	24.2	Very low	92 Å²	92	148.6 Å²	148.6	64%	0.643	79%	0.792	S	S	*	*				63.9	93.4	105.2	72.4	0	0	0	0	112.5
870	D	30.4	Very low	24.4	Very low	167 Å²	167	150.1 Å²	150.1	89%	0.893	80%	0.796	S	S	*	*			trans	-156.3	106.6	133.9	-92.9	-27.9	0	0	0	109.1	N872	D870-N872 PolarHBondContact O-N 3.09Å
871	F	22	Very low	24.7	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.864	79%	0.793	S	S	*	*			trans	-56.6	127.7	159.9	-83.9	-104.6	0	0	0	108.3
872	N	27.5	Very low	24.9	Very low	157 Å²	157	153.3 Å²	153.3	84%	0.84	80%	0.798	S	S	*	*				-176.5	137	128.3	-91	-35.2	0	0	0	113.8	D870	D870-N872 PolarHBondContact O-N 3.09Å
873	S	26	Very low	24.9	Very low	105 Å²	105	156.9 Å²	156.9	73%	0.734	80%	0.803	S	S	*	*			trans	60	96.2	155.3	67.5	0	0	0	0	120
874	V	23.1	Very low	25	Very low	125 Å²	125	156.8 Å²	156.8	76%	0.758	81%	0.805	S	S	*	*				20.2	107.6	115.5	-173.3	0	0	0	0	115.8
875	H	29	Very low	25	Very low	179 Å²	179	152.9 Å²	152.9	83%	0.829	80%	0.801	S	S	*	*			trans	-165.5	104.8	131.5	-97.5	-56.9	0	0	0	110	P877	H875-P877 WeakPolarHBondContact O-CD 3.48Å
876	S	20.4	Very low	25.1	Very low	114 Å²	114	150.9 Å²	150.9	80%	0.797	80%	0.804	S	S	*	*			trans	-83.9	123.2	162.4	50.1	0	0	0	0	109.8
877	P	25.4	Very low	24.8	Very low	110 Å²	110	152.7 Å²	152.7	71%	0.714	81%	0.806	S	S	*	*			trans	-137.8	120.8	142.1	29.9	-11.9	0	0	0	113.2	H875	H875-P877 WeakPolarHBondContact O-CD 3.48Å
878	R	23.6	Very low	24.8	Very low	242 Å²	242	156.1 Å²	156.1	91%	0.913	81%	0.81	S	S	*	*			trans	45	110.5	131.3	-67.5	179.6	176.5	161.3	-0.8	119.5
879	F	20.2	Very low	24.5	Very low	199 Å²	199	159.4 Å²	159.4	87%	0.873	81%	0.813	S	S	*	*			trans	-6.4	124.4	131	-86.5	-98.9	0	0	0	116.9
880	N	25.9	Very low	24.3	Very low	148 Å²	148	161.4 Å²	161.4	79%	0.791	83%	0.825	S	S	*	*				-172.2	152.7	114.9	-101.2	-22.2	0	0	0	113.1
881	P	26.5	Very low	23.9	Very low	111 Å²	111	158.8 Å²	158.8	72%	0.721	82%	0.82	S	S	*	*			trans	-94.4	139.7	-162.6	36.2	-31.7	0	0	0	112.9
882	W	26.2	Very low	24.1	Very low	250 Å²	250	159.3 Å²	159.3	95%	0.947	83%	0.826	S	S	*	*			trans	-114.9	116.1	165.3	-90.6	50.9	0	0	0	110.1
883	K	21.5	Very low	23.8	Very low	203 Å²	203	154.9 Å²	154.9	88%	0.883	82%	0.817	S	S	*	*			trans	-65.7	142.9	164.6	-78	173.7	171	175.3	0	109.9
884	P	26.5	Very low	23.6	Very low	122 Å²	122	160.2 Å²	160.2	79%	0.792	83%	0.827	S	S	*	*			trans	-122.6	122.3	135.6	23.3	-6.7	0	0	0	109.9
885	S	23	Very low	23.6	Very low	106 Å²	106	161 Å²	161	74%	0.741	83%	0.831	S	S	*	*			trans	-69.7	127	166.8	48.4	0	0	0	0	110.8
886	L	24.2	Very low	23.3	Very low	174 Å²	174	160.3 Å²	160.3	91%	0.911	83%	0.829	S	S	*	*			trans	-140.9	98.5	154.8	-113.6	126.9	0	0	0	109.8
887	N	20.9	Very low	23.3	Very low	146 Å²	146	159.5 Å²	159.5	78%	0.781	83%	0.829	S	S	*	*			trans	-65	139	162.5	-77.1	-37.5	0	0	0	110.1
888	K	24.6	Very low	23.1	Very low	182 Å²	182	160.6 Å²	160.6	79%	0.791	83%	0.829	S	S	*	*				158.3	142.8	120.6	-86.7	173.5	177.7	179.7	0	111
889	Y	23.6	Very low	23	Very low	218 Å²	218	159 Å²	159	86%	0.855	83%	0.829	S	S	*	*			trans	90.9	70.1	172.7	-59.1	-78	0	0	0	117.7
890	C	20.9	Very low	23.1	Very low	134 Å²	134	154.3 Å²	154.3	91%	0.905	82%	0.821	S	S	*	*			trans	-147.2	93	148.9	-100.6	0	0	0	0	108.2
891	S	22.2	Very low	23	Very low	113 Å²	113	153.5 Å²	153.5	79%	0.79	82%	0.824	S	S	*	*			trans	-172.8	110.5	163.6	48.3	0	0	0	0	112.1
892	Q	24.7	Very low	22.9	Very low	208 Å²	208	155.2 Å²	155.2	97%	0.972	83%	0.826	S	S	*	*			trans	163.6	121.1	155.9	-97.3	167.8	-3.1	0	0	105.6
893	G	22.4	Very low	22.7	Very low	63 Å²	63	153.3 Å²	153.3	65%	0.649	82%	0.82	S	S	*	*			cis	170.9	120.3	-1	0	0	0	0	0	104.8
894	F	21.2	Very low	22.7	Very low	218 Å²	218	150.1 Å²	150.1	96%	0.956	82%	0.818	S	S	*	*			trans	-129.2	109.6	163.6	-94.9	-84.5	0	0	0	106.3
895	V	23.8	Very low	22.7	Very low	140 Å²	140	150 Å²	150	85%	0.848	82%	0.82	S	S	*	*			trans	-89.2	107.5	-178.4	174.4	0	0	0	0	107
896	E	21.1	Very low	22.6	Very low	165 Å²	165	154 Å²	154	77%	0.771	83%	0.827	S	S	*	*			trans	-70.4	119.7	163.3	-81.2	179	150.3	0	0	109.1	N898	E896-N898 PolarHBondContact O-N 3.48Å
897	A	21.3	Very low	22.7	Very low	98 Å²	98	151.3 Å²	151.3	81%	0.81	82%	0.823	S	S	*	*			trans	-83.9	97.1	170.6	0	0	0	0	0	109.2
898	N	20.3	Very low	22.8	Very low	132 Å²	132	149.8 Å²	149.8	71%	0.706	82%	0.824	S	S	*	*			trans	-92.6	114.8	166.9	-79	-43.8	0	0	0	109.3	E896	E896-N898 PolarHBondContact O-N 3.48Å
899	F	22.2	Very low	22.8	Very low	208 Å²	208	147.6 Å²	147.6	91%	0.912	83%	0.826	S	S	*	*			trans	-134	131.2	155.9	-87.8	-75.5	0	0	0	110.5
900	S	23.2	Very low	22.8	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	82%	0.821	S	S	*	*			trans	-82.5	161.4	-164.6	25.9	0	0	0	0	114.1
901	P	22.6	Very low	23	Very low	131 Å²	131	143.7 Å²	143.7	85%	0.851	82%	0.819	S	S	*	*			trans	-81.7	142	-176	33.1	-32.9	0	0	0	112.1
902	L	23.7	Very low	22.9	Very low	147 Å²	147	144.4 Å²	144.4	77%	0.77	82%	0.818	S	S	*	*			trans	-122.3	127.4	178.1	-86.6	162.4	0	0	0	110.7
903	Y	23.7	Very low	22.9	Very low	209 Å²	209	143.2 Å²	143.2	82%	0.82	81%	0.81	S	S	*	*			trans	64.2	106.4	156.2	-71.7	-78.2	0	0	0	120.9
904	T	21.3	Very low	23	Very low	136 Å²	136	146.3 Å²	146.3	83%	0.834	81%	0.812	S	S	*	*			trans	-64	132.1	145.1	47.6	0	0	0	0	111.1
905	S	25	Very low	23.1	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	80%	0.803	S	S	*	*			trans	-142.5	120.1	151.2	64.9	0	0	0	0	109.8
906	E	22.7	Very low	23.1	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	81%	0.806	S	S	*	*			trans	-62.2	143.4	175.1	-59.3	167.3	151.5	0	0	111.3
907	S	25.5	Very low	23.2	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	81%	0.806	S	S	*	*			trans	-167.1	122.2	132.9	40.9	0	0	0	0	110.6
908	S	22.1	Very low	23.6	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	80%	0.804	S	S	*	*			trans	-61.7	136.5	169.3	46.4	0	0	0	0	112.3
909	T	25.7	Very low	23.9	Very low	137 Å²	137	146.4 Å²	146.4	84%	0.84	80%	0.804	S	S	*	*			trans	-151.3	112.3	136.4	33.6	0	0	0	0	109.8
910	S	22.2	Very low	23.9	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	80%	0.801	S	S	*	*			trans	-64	126.4	160.7	49.9	0	0	0	0	109.8
911	N	25.4	Very low	23.9	Very low	162 Å²	162	148.8 Å²	148.8	87%	0.866	80%	0.804	S	S	*	*			trans	-136.7	101	153.4	-91.5	-27.8	0	0	0	108.5
912	V	21.6	Very low	23.8	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	80%	0.799	S	S	*	*			trans	-72.6	123.6	160.3	171.1	0	0	0	0	106.5
913	F	24.1	Very low	23.7	Very low	183 Å²	183	149.5 Å²	149.5	80%	0.803	80%	0.802	S	S	*	*			trans	-166	130.6	146.2	-106.1	-67	0	0	0	112.7
914	N	24.4	Very low	23.6	Very low	128 Å²	128	146.9 Å²	146.9	68%	0.684	80%	0.8	S	S	*	*			trans	68.8	99.8	149.5	-71.4	-18.3	0	0	0	121.1
915	S	22.8	Very low	23.8	Very low	110 Å²	110	153.6 Å²	153.6	77%	0.769	82%	0.818	S	S	*	*				-25.7	124.3	127.6	52.8	0	0	0	0	114.5
916	R	25.1	Very low	23.7	Very low	239 Å²	239	155.3 Å²	155.3	90%	0.902	82%	0.817	S	S	*	*			trans	-134.1	121.1	148	-94.4	-174.2	174.2	177.9	-3.3	109
917	S	23.1	Very low	23.8	Very low	112 Å²	112	153.5 Å²	153.5	78%	0.783	81%	0.814	S	S	*	*			trans	-100.2	107.2	172.6	48.5	0	0	0	0	107.7
918	E	27.9	Very low	23.7	Very low	165 Å²	165	155.4 Å²	155.4	77%	0.771	81%	0.813	S	S	*	*			trans	-163.1	142.9	164.9	-66.6	-170.3	174.8	0	0	104.1
919	D	26.8	Very low	23.8	Very low	130 Å²	130	157.9 Å²	157.9	70%	0.695	81%	0.814	S	S	*	*			cis	-164.2	155.1	-12	-100.8	-28.3	0	0	0	105.1
920	E	22.6	Very low	23.7	Very low	183 Å²	183	159.2 Å²	159.2	86%	0.855	81%	0.812	S	S	*	*			trans	-52.8	130	173.5	-63.2	172.7	139.4	0	0	112.6
921	F	24.2	Very low	23.8	Very low	176 Å²	176	162.6 Å²	162.6	77%	0.772	82%	0.816	S	S	*	*			trans	-132.5	94.1	154.6	-85.9	-78.8	0	0	0	110	F923	F921-F923 HydrophobicContact CB-CD2 4.38Å; F921-F923 HydrophobicContact CB-CE2 4.15Å; F921-F923 HydrophobicContact CD1-CE2 4.02Å; F921-F923 HydrophobicContact CD1-CZ 4.45Å; F921-F923 HydrophobicContact CG-CE2 4.41Å
922	S	19	Very low	23.7	Very low	108 Å²	108	162.6 Å²	162.6	76%	0.755	81%	0.813	S	S	*	*			trans	-70.4	117.3	161.1	49.2	0	0	0	0	109.8
923	F	23.2	Very low	23.8	Very low	186 Å²	186	165.4 Å²	165.4	82%	0.816	82%	0.816	S	S	*	*			trans	-110.1	116.7	162.5	-81.9	-82.5	0	0	0	109.4	F921	F921-F923 HydrophobicContact CB-CD2 4.38Å; F921-F923 HydrophobicContact CB-CE2 4.15Å; F921-F923 HydrophobicContact CD1-CE2 4.02Å; F921-F923 HydrophobicContact CD1-CZ 4.45Å; F921-F923 HydrophobicContact CG-CE2 4.41Å
924	I	21	Very low	23.8	Very low	154 Å²	154	163.9 Å²	163.9	79%	0.79	82%	0.817	S	S	*	*			trans	-78.7	123.7	169.8	-66.4	167.6	0	0	0	107.4
925	F	25.5	Very low	23.7	Very low	276 Å²	276	167.2 Å²	167.2	100%	1.211	83%	0.829	S	S	*	*			trans	-151.1	0	146.5	-108.9	-75.3	0	0	0	110.2

Retrieved 925 of 925 residues in 1101.2 ms (Link to these results)

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