A0A087Y2T2_POEFO Loading...

Semaphorin-6B

Functions as a cell surface repellent for mossy fibers of developing neurons in the hippocampus where it plays a role in axon guidance. May function through the PLXNA4 receptor expressed by mossy cell axons.

AlphaFold DB , UniProt , Accession A0A087Y2T2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 899 aa.

						>A0A087Y2T2_POEFO|A0A087Y2T2
MCAAAMATVAPPLALLLLLLQLADGSFPEEPGPLSYVPVEVVRRYPVFLGRAHRSALRQELHIQTVLQVNRTLYIGARDDLYRVELDNMAGEEMFYSKKRTWESNKNDIRVCRMKGKHEGECRNFIKVLLSQHDGLFVCGTNAFNPLCANYTRDTLEMAGEPVSGMARCPYDPRHANVALFADGSLFTGTVTDFLAIDAVIYRSLGDSPALRTVKHDSKWFREPYFVSAMEWGPHIYFFFREMAMEFHHLEKVMVSRVARVCKSDLGGSQRVLEKQWTTFLKARLNCSIPGDSHFYFNLLHATSDIIHMQGRDVILGLFSTPPNSIPGSAVCVFDMQQLAHVFEGRFKEQKSPESIWTPVPDEAVPKPRPGGCAVQGSRFSTSTTLPDEVLNFVKTHPLMDETVPLLGHRPWVVKTMGRYQLTAMVVDTEAGPHKNRTVLFLGSTRGTILKFLMISGGDSVSHSSVFLEEVEGFNPEKCGEDSPQARQLLSLTLDRTSHTLLLAFPSCLVRVPTSRCHLHARCMKSCLASRDPYCGWTRGSTCSFLRPGTRIPFQQDVEYGNTTSHLGDCDGILQQSLLIEPESLVSLNLLVASAVSAFTIGAALSGLAVCWIMAHKPANRRHGGSSQSSIQRRERGLLSNSGGMAGSVLSVTRQGGGERSCSQGGETLFVMPNGWVKSGELDPGFLPTPEHTPQQKRRGLRLSDSNSGGWDTSQTYLGGGSVGLGSPCRMPPSVYLTTRLFQQGGGGRHGGEGRGNDTPRQHYVCLSKQEKGGKGTPRAPVRKSAGEYVYPMTPQDSPERRRVVSAPSAPVEYSEPLPLRWPAPEGYILSSHGMVPVPLPPPTMPPPGGQAYMSQQHTPGLSRALLRGALERGELGELVDLSQLMSKKNCSDRTQAGQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	44.2	Very low	231 Å²	231	102.7 Å²	102.7	100%	1.138	67%	0.668	S	S	*	*				0	69	0	-67.7	149	59.8	0	0	109.4
2	C	37.1	Very low	45.1	Very low	110 Å²	110	100.3 Å²	100.3	74%	0.743	65%	0.652	S	S	*	*			trans	-114.9	-16.1	-167.5	-52.3	0	0	0	0	114.8	A4	C2-A4 VanDerWaalsContact C-N 3.33Å; C2-A4 PolarHBondContact O-N 3.42Å
3	A	38.1	Very low	46.1	Very low	92 Å²	92	99.9 Å²	99.9	76%	0.76	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-70.3	-25.9	178.7	0	0	0	0	0	113.7	A5	A3-A5 PolarHBondContact O-N 3.32Å
4	A	43.1	Very low	47.3	Very low	81 Å²	81	96.9 Å²	96.9	67%	0.669	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-75.7	-17.9	-174.2	0	0	0	0	0	114.7	C2	C2-A4 VanDerWaalsContact C-N 3.33Å; C2-A4 PolarHBondContact O-N 3.42Å
5	A	41.5	Very low	48.5	Very low	64 Å²	64	97.2 Å²	97.2	53%	0.529	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-87.8	-20.1	-175.1	0	0	0	0	0	114.1	A3 T8	A3-A5 PolarHBondContact O-N 3.32Å; A5-T8 PolarHBondContact O-OG1 3.46Å
6	M	37.6	Very low	49.4	Very low	157 Å²	157	97.8 Å²	97.8	77%	0.773	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-28.5	-179.2	-67.1	-72.7	-103.4	0	0	112.5	T8	M6-T8 VanDerWaalsContact C-N 3.34Å; M6-T8 PolarHBondContact O-N 3.2Å
7	A	43.5	Very low	50	Low	73 Å²	73	97.6 Å²	97.6	60%	0.603	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-21.7	-174.7	0	0	0	0	0	114.2	P11	A7-P11 WeakPolarHBondContact O-CD 3.35Å
8	T	50	Low	50.6	Low	97 Å²	97	97.3 Å²	97.3	60%	0.595	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-16.9	-174.5	50.7	0	0	0	0	114.2	A5 M6 P12	A5-T8 PolarHBondContact O-OG1 3.46Å; M6-T8 VanDerWaalsContact C-N 3.34Å; M6-T8 PolarHBondContact O-N 3.2Å; T8-P12 VanDerWaalsContact O-CD 3.26Å; T8-P12 WeakPolarHBondContact O-CD 3.38Å
9	V	47.2	Very low	50.9	Low	83 Å²	83	97.4 Å²	97.4	50%	0.503	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-27.3	-176.7	-170.8	0	0	0	0	112.3	P12 L13	V9-P12 WeakPolarHBondContact O-CD 3.21Å; V9-P12 WeakPolarHBondContact O-CG 3.23Å; V9-L13 WeakPolarHBondContact O-CB 3.27Å; V9-L13 PolarHBondContact O-N 3.09Å
10	A	50.9	Low	51.1	Low	63 Å²	63	98.2 Å²	98.2	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-58.8	-50.6	176.2	0	0	0	0	0	114.2	L13 A14	A10-L13 PolarHBondContact O-N 3.41Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.08Å
11	P	54.5	Low	51.1	Low	79 Å²	79	101.1 Å²	101.1	51%	0.513	61%	0.606	S	S	.	*	H	α-helix	trans	-60.5	-46.9	-178.8	15.4	-24.9	0	0	0	115.7	A7 L13 A14 L15	A7-P11 WeakPolarHBondContact O-CD 3.35Å; P11-L13 VanDerWaalsContact C-N 3.31Å; P11-L13 PolarHBondContact O-N 3.02Å; P11-A14 PolarHBondContact O-N 2.97Å; P11-L15 VanDerWaalsContact O-CB 3.31Å; P11-L15 WeakPolarHBondContact O-CB 3.13Å; P11-L15 PolarHBondContact O-N 3.34Å
12	P	55.6	Low	51.4	Low	74 Å²	74	96.1 Å²	96.1	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-68.4	-29	178.2	26.7	-35.3	0	0	0	113	T8 V9 L16	T8-P12 VanDerWaalsContact O-CD 3.26Å; T8-P12 WeakPolarHBondContact O-CD 3.38Å; V9-P12 WeakPolarHBondContact O-CD 3.21Å; V9-P12 WeakPolarHBondContact O-CG 3.23Å; P12-L16 VanDerWaalsContact O-CB 3.31Å; P12-L16 WeakPolarHBondContact O-CB 3.25Å; P12-L16 PolarHBondContact O-N 2.9Å
13	L	57.3	Low	51.8	Low	95 Å²	95	93.3 Å²	93.3	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-76.7	-38.2	178.3	-150.8	159.4	0	0	0	111.1	V9 A10 P11 L16 L17	V9-L13 WeakPolarHBondContact O-CB 3.27Å; V9-L13 PolarHBondContact O-N 3.09Å; A10-L13 PolarHBondContact O-N 3.41Å; P11-L13 VanDerWaalsContact C-N 3.31Å; P11-L13 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CD2-CD1 3.85Å; L13-L17 HydrophobicContact CD2-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.49Å
14	A	63.4	Low	52.2	Low	58 Å²	58	96.2 Å²	96.2	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-64	-39.7	168.5	0	0	0	0	0	112.1	A10 P11 L17 L18	A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.08Å; P11-A14 PolarHBondContact O-N 2.97Å; A14-L17 PolarHBondContact O-N 3.19Å; A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 PolarHBondContact O-N 2.94Å
15	L	65.4	Low	52.2	Low	101 Å²	101	96 Å²	96	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-67	-37.5	174.8	-172.9	66.7	0	0	0	111.9	P11 L18 L19	P11-L15 VanDerWaalsContact O-CB 3.31Å; P11-L15 WeakPolarHBondContact O-CB 3.13Å; P11-L15 PolarHBondContact O-N 3.34Å; L15-L18 PolarHBondContact O-N 2.99Å; L15-L19 HydrophobicContact CG-CD1 4.21Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.85Å
16	L	63	Low	52.9	Low	106 Å²	106	97.4 Å²	97.4	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-41.1	173.9	-173.4	68.7	0	0	0	111.5	P12 L13 L19 L20	P12-L16 VanDerWaalsContact O-CB 3.31Å; P12-L16 WeakPolarHBondContact O-CB 3.25Å; P12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 3.42Å; L16-L19 PolarHBondContact O-N 2.89Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å
17	L	60	Low	54.3	Low	96 Å²	96	94 Å²	94	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-39.1	172.6	-76.5	164.9	0	0	0	112	L13 A14 L20 Q21	L13-L17 HydrophobicContact CD2-CD1 3.85Å; L13-L17 HydrophobicContact CD2-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.19Å; L17-L20 PolarHBondContact O-N 2.63Å; L17-Q21 WeakPolarHBondContact O-CG 3.46Å; L17-Q21 PolarHBondContact O-N 3.1Å
18	L	59.8	Low	55.7	Low	92 Å²	92	93.2 Å²	93.2	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-40.3	174.6	-166.7	72.8	0	0	0	111.6	A14 L15 L20 Q21 L22	A14-L18 WeakPolarHBondContact O-CB 3.12Å; A14-L18 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 2.99Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-Q21 CarbonylContact O-C 3.54Å; L18-Q21 PolarHBondContact O-N 2.84Å; L18-L22 HydrophobicContact CG-CD1 4.43Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.8Å
19	L	56.1	Low	56.7	Low	98 Å²	98	97.7 Å²	97.7	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-33.4	174.2	-74	165.6	0	0	0	112.4	L15 L16 L22 A23	L15-L19 HydrophobicContact CG-CD1 4.21Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.85Å; L16-L19 PolarHBondContact O-N 2.89Å; L19-L22 PolarHBondContact O-N 3.02Å; L19-A23 PolarHBondContact O-N 2.77Å; L19-A23 VanDerWaalsContact O-N 3.14Å
20	L	54.8	Low	58	Low	114 Å²	114	96 Å²	96	60%	0.597	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-34.3	170.8	-76.2	162.9	0	0	0	112.2	L16 L17 L18 L22 A23	L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å; L17-L20 PolarHBondContact O-N 2.63Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-A23 WeakPolarHBondContact O-CB 3.39Å; L20-A23 PolarHBondContact O-N 3.01Å
21	Q	52.1	Low	59.4	Low	159 Å²	159	97.4 Å²	97.4	74%	0.743	56%	0.558	S	S	*	*	H	α-helix	trans	-72.6	-21.8	171.7	-75	179.1	-15.9	0	0	113.4	L17 L18	L17-Q21 WeakPolarHBondContact O-CG 3.46Å; L17-Q21 PolarHBondContact O-N 3.1Å; L18-Q21 CarbonylContact O-C 3.54Å; L18-Q21 PolarHBondContact O-N 2.84Å
22	L	49	Very low	60.9	Low	126 Å²	126	95.9 Å²	95.9	66%	0.66	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-4.8	172.1	-68.8	166.4	0	0	0	112.9	L18 L19 L20 D24	L18-L22 HydrophobicContact CG-CD1 4.43Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 3.02Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L22-D24 PolarHBondContact O-N 3.47Å
23	A	44.4	Very low	62.6	Low	52 Å²	52	93.1 Å²	93.1	43%	0.43	54%	0.538	S	S	.	.			trans	-84.7	61.4	178.6	0	0	0	0	0	111.7	L19 L20 G25	L19-A23 PolarHBondContact O-N 2.77Å; L19-A23 VanDerWaalsContact O-N 3.14Å; L20-A23 WeakPolarHBondContact O-CB 3.39Å; L20-A23 PolarHBondContact O-N 3.01Å; A23-G25 PolarHBondContact O-N 3.48Å
24	D	46.5	Very low	64.2	Low	152 Å²	152	92.8 Å²	92.8	81%	0.813	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	29.2	-176	-152.8	19.2	0	0	0	114	L22	L22-D24 PolarHBondContact O-N 3.47Å
25	G	42.6	Very low	65.4	Low	78 Å²	78	91.3 Å²	91.3	80%	0.804	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	10.3	177.8	0	0	0	0	0	113.6	A23	A23-G25 PolarHBondContact O-N 3.48Å
26	S	58.3	Low	66.4	Low	93 Å²	93	94 Å²	94	65%	0.65	53%	0.527	S	S	*	.	S	Bend	trans	-70.4	146.2	171.5	55.6	0	0	0	0	111.1
27	F	66.8	Low	67.6	Low	84 Å²	84	89.7 Å²	89.7	37%	0.368	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-66.4	136.7	167.8	-165.4	-82.4	0	0	0	108.4	E29 I289 F295 F297 V414 T416	F27-E29 PolarHBondContact O-N 3.26Å; F27-I289 HydrophobicContact CD2-CD1 4.43Å; F27-I289 HydrophobicContact CE1-CD1 4.19Å; F27-I289 HydrophobicContact CE2-CD1 3.6Å; F27-I289 HydrophobicContact CZ-CD1 3.45Å; F27-I289 VanDerWaalsContact CZ-CD1 3.45Å; F27-F295 HydrophobicContact CE2-CD1 4.02Å; F27-F295 HydrophobicContact CE2-CE1 4.28Å; F27-F295 HydrophobicContact CE2-CG 4.19Å; F27-F297 HydrophobicContact CZ-CZ 4.31Å; F27-V414 HydrophobicContact CE1-CG1 3.69Å; F27-V414 HydrophobicContact CZ-CG1 3.85Å; F27-T416 HydrophobicContact CE1-CG2 3.6Å; F27-T416 VanDerWaalsContact CE1-OG1 3.25Å; F27-T416 WeakPolarHBondContact CE1-OG1 3.27Å; F27-T416 HydrophobicContact CZ-CG2 3.57Å
28	P	71.6	Confident	69	Low	57 Å²	57	88 Å²	88	37%	0.37	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-51.4	127	-171.4	-30.5	35.6	0	0	0	113.8	I289	P28-I289 HydrophobicContact CG-CD1 4.48Å
29	E	72.3	Confident	70.2	Confident	192 Å²	192	86 Å²	86	90%	0.897	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-66.7	137.9	177	-170.6	171.3	-175.3	0	0	110.6	F27 P31	F27-E29 PolarHBondContact O-N 3.26Å; E29-P31 WeakPolarHBondContact O-CD 3.49Å
30	E	73.6	Confident	71.8	Confident	46 Å²	46	87.1 Å²	87.1	22%	0.215	49%	0.493	C	S	.	.			trans	-108.4	93.4	-166.5	-170.2	-169.9	137	0	0	110.5	K415 T416 M417	E30-K415 HydrophobicContact CG-CD 3.92Å; E30-K415 WeakPolarHBondContact OE1-CD 3.49Å; E30-K415 WeakPolarHBondContact OE1-CE 3.49Å; E30-K415 IonicContact OE1-NZ 3.78Å; E30-K415 PolarHBondContact OE1-NZ 2.77Å; E30-K415 WeakPolarHBondContact OE2-CA 3.39Å; E30-T416 PolarHBondContact OE2-N 3.39Å; E30-M417 HydrophobicContact CB-CG 4.29Å; E30-M417 PolarHBondContact OE2-N 3.29Å
31	P	80.6	Confident	73.4	Confident	94 Å²	94	83.2 Å²	83.2	61%	0.61	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-63.6	146.7	179.4	25.8	-34.5	0	0	0	111.8	E29 F467	E29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-F467 WeakPolarHBondContact O-CD1 3.34Å
32	G	86.6	Confident	75.2	Confident	47 Å²	47	75.9 Å²	75.9	49%	0.485	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-67.3	167.9	170.9	0	0	0	0	0	112.8
33	P	91.6	Very high	77	Confident	15 Å²	15	74.8 Å²	74.8	10%	0.097	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-71.2	147.4	177.4	31.2	-31.9	0	0	0	110.8	S35 Y36 F467 E470	P33-S35 PolarHBondContact O-N 3.36Å; P33-Y36 WeakPolarHBondContact CD-OH 3.43Å; P33-Y36 HydrophobicContact CG-CD1 4Å; P33-Y36 HydrophobicContact CG-CD2 4.22Å; P33-Y36 HydrophobicContact CG-CE1 3.5Å; P33-Y36 HydrophobicContact CG-CE2 3.76Å; P33-Y36 HydrophobicContact CG-CG 4.35Å; P33-F467 WeakPolarHBondContact CA-O 3.32Å; P33-F467 HydrophobicContact CB-CD1 3.8Å; P33-F467 HydrophobicContact CB-CD2 4.02Å; P33-F467 HydrophobicContact CB-CE1 3.72Å; P33-F467 HydrophobicContact CB-CE2 3.93Å; P33-F467 HydrophobicContact CB-CG 3.96Å; P33-F467 HydrophobicContact CB-CZ 3.78Å; P33-F467 HydrophobicContact CG-CD1 4.35Å; P33-F467 HydrophobicContact CG-CE1 3.9Å; P33-F467 HydrophobicContact CG-CZ 4.09Å; P33-F467 VanDerWaalsContact N-CD1 3.32Å; P33-E470 HydrophobicContact CB-CB 4.43Å; P33-E470 HydrophobicContact CG-CB 4.14Å
34	L	90.6	Very high	79.2	Confident	89 Å²	89	80.4 Å²	80.4	47%	0.466	44%	0.438	S	S	.	.	S	Bend	trans	-65.8	-20.3	173.6	-59	178.6	0	0	0	112.9	V466 F467 L468 R531	L34-V466 HydrophobicContact CD1-CG1 3.82Å; L34-V466 HydrophobicContact CG-CG1 4.43Å; L34-F467 PolarHBondContact N-O 2.82Å; L34-L468 CarbonylContact C-O 3.53Å; L34-L468 WeakPolarHBondContact CB-O 3.04Å; L34-L468 HydrophobicContact CD1-CD2 4.14Å; L34-L468 PolarHBondContact N-O 2.95Å; L34-R531 HydrophobicContact CD1-CB 4.11Å; L34-R531 HydrophobicContact CD1-CG 4.14Å
35	S	87.5	Confident	81.5	Confident	26 Å²	26	74 Å²	74	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.6	179.5	-162	0	0	0	0	113.2	P33 L468 E469 E470	P33-S35 PolarHBondContact O-N 3.36Å; S35-L468 PolarHBondContact N-O 2.78Å; S35-E469 WeakPolarHBondContact O-CA 3.32Å; S35-E470 PolarHBondContact O-N 3.45Å
36	Y	87.4	Confident	83.9	Confident	158 Å²	158	71.6 Å²	71.6	62%	0.62	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.4	169.6	-70.7	-81.6	0	0	0	109.1	P33 E470	P33-Y36 WeakPolarHBondContact CD-OH 3.43Å; P33-Y36 HydrophobicContact CG-CD1 4Å; P33-Y36 HydrophobicContact CG-CD2 4.22Å; P33-Y36 HydrophobicContact CG-CE1 3.5Å; P33-Y36 HydrophobicContact CG-CE2 3.76Å; P33-Y36 HydrophobicContact CG-CG 4.35Å; Y36-E470 HydrophobicContact CD1-CB 4.4Å; Y36-E470 HydrophobicContact CE1-CB 4.46Å
37	V	88	Confident	85.6	Confident	16 Å²	16	67.2 Å²	67.2	10%	0.097	34%	0.342	C	S	.	.			trans	-94	125.2	-178.4	-173.8	0	0	0	0	110.8	V41 V42 E469 E470 V471 R516 L519	V37-V41 HydrophobicContact CG1-CB 4.14Å; V37-V41 HydrophobicContact CG1-CG1 4.28Å; V37-V42 HydrophobicContact CB-CG2 4.44Å; V37-V42 HydrophobicContact CG1-CG2 3.94Å; V37-E469 HydrophobicContact CG2-CG 3.96Å; V37-E469 WeakPolarHBondContact CG2-OE1 3.34Å; V37-E470 PolarHBondContact N-O 2.93Å; V37-V471 HydrophobicContact CB-CG1 4.17Å; V37-V471 HydrophobicContact CG1-CG1 4.42Å; V37-V471 HydrophobicContact CG2-CB 4.32Å; V37-V471 HydrophobicContact CG2-CG1 4.07Å; V37-V471 HydrophobicContact CG2-CG2 3.78Å; V37-R516 VanDerWaalsContact CG2-CD 3.45Å; V37-L519 HydrophobicContact CG1-CD1 4.45Å
38	P	88.3	Confident	87	Confident	61 Å²	61	63.3 Å²	63.3	40%	0.396	33%	0.325	S	S	.	.			trans	-61.2	141.9	175.9	-22.6	33.2	0	0	0	112.8	E40 V41 V42	P38-E40 WeakPolarHBondContact CB-OE2 3.49Å; P38-E40 PolarHBondContact O-N 2.93Å; P38-V41 HydrophobicContact CB-CG2 4.21Å; P38-V41 HydrophobicContact CG-CG2 4.42Å; P38-V41 WeakPolarHBondContact O-CB 3.03Å; P38-V41 PolarHBondContact O-N 2.98Å; P38-V42 PolarHBondContact O-N 3.25Å
39	V	86.3	Confident	87.9	Confident	49 Å²	49	61.8 Å²	61.8	30%	0.297	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-28.7	-174.6	179.5	0	0	0	0	111.5	V41 V42 R43	V39-V41 PolarHBondContact O-N 2.65Å; V39-V42 PolarHBondContact O-N 3.2Å; V39-R43 HydrophobicContact CG1-CG 4.25Å; V39-R43 WeakPolarHBondContact O-CG 3.37Å; V39-R43 PolarHBondContact O-N 2.81Å
40	E	88.6	Confident	88.8	Confident	121 Å²	121	52.7 Å²	52.7	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-66.1	-26.6	177	-58.4	66	-141.8	0	0	112.4	P38 R44	P38-E40 WeakPolarHBondContact CB-OE2 3.49Å; P38-E40 PolarHBondContact O-N 2.93Å; E40-R44 PolarHBondContact O-NE 2.03Å
41	V	88.9	Confident	89.4	Confident	33 Å²	33	54.3 Å²	54.3	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-80.6	-45.5	173.4	-176	0	0	0	0	109.3	V37 P38 V39 R43 R44 L519	V37-V41 HydrophobicContact CG1-CB 4.14Å; V37-V41 HydrophobicContact CG1-CG1 4.28Å; P38-V41 HydrophobicContact CB-CG2 4.21Å; P38-V41 HydrophobicContact CG-CG2 4.42Å; P38-V41 WeakPolarHBondContact O-CB 3.03Å; P38-V41 PolarHBondContact O-N 2.98Å; V39-V41 PolarHBondContact O-N 2.65Å; V41-R43 PolarHBondContact O-N 3.21Å; V41-R44 PolarHBondContact O-N 2.92Å; V41-L519 HydrophobicContact CG2-CD2 3.92Å
42	V	89.1	Confident	89.6	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-45.8	178.3	170.9	0	0	0	0	112.1	V37 P38 V39 R44 Y45 V471 E472	V37-V42 HydrophobicContact CB-CG2 4.44Å; V37-V42 HydrophobicContact CG1-CG2 3.94Å; P38-V42 PolarHBondContact O-N 3.25Å; V39-V42 PolarHBondContact O-N 3.2Å; V42-R44 PolarHBondContact O-N 3.12Å; V42-R44 VanDerWaalsContact O-N 3.09Å; V42-Y45 HydrophobicContact CB-CD2 4.48Å; V42-Y45 HydrophobicContact CB-CE2 4.29Å; V42-Y45 HydrophobicContact CG1-CD2 4.39Å; V42-Y45 HydrophobicContact CG2-CE2 4.16Å; V42-Y45 VanDerWaalsContact O-CD2 3.25Å; V42-Y45 WeakPolarHBondContact O-CD2 3.4Å; V42-Y45 PolarHBondContact O-N 2.04Å; V42-Y45 VanDerWaalsContact O-N 3.12Å; V42-V471 HydrophobicContact CG2-CG1 4.07Å; V42-E472 HydrophobicContact CG1-CB 4.4Å; V42-E472 WeakPolarHBondContact CG1-O 3.44Å
43	R	88.2	Confident	89.3	Confident	103 Å²	103	53.4 Å²	53.4	39%	0.389	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.3	-175.9	-77.1	171.3	-175.6	-169.4	17.9	113.3	V39 V41 N475 E477 K478	V39-R43 HydrophobicContact CG1-CG 4.25Å; V39-R43 WeakPolarHBondContact O-CG 3.37Å; V39-R43 PolarHBondContact O-N 2.81Å; V41-R43 PolarHBondContact O-N 3.21Å; R43-N475 WeakPolarHBondContact CA-ND2 3.33Å; R43-N475 PolarHBondContact O-ND2 3.46Å; R43-E477 VanDerWaalsContact CD-OE2 3.27Å; R43-E477 WeakPolarHBondContact CD-OE2 3.49Å; R43-E477 IonicContact CZ-OE1 3.95Å; R43-E477 IonicContact NE-OE1 3.88Å; R43-E477 IonicContact NE-OE2 3.17Å; R43-E477 IonicContact NH1-OE1 2.87Å; R43-E477 PolarHBondContact NH1-OE1 2.94Å; R43-E477 IonicContact NH1-OE2 3.43Å; R43-K478 WeakPolarHBondContact O-CE 3.21Å; R43-K478 PolarHBondContact O-NZ 2.99Å
44	R	90.8	Very high	88.5	Confident	169 Å²	169	63.4 Å²	63.4	64%	0.638	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8	-178.1	-62	-177.5	-166.9	-163.6	-0.7	114.9	E40 V41 V42 E92	E40-R44 PolarHBondContact O-NE 2.03Å; V41-R44 PolarHBondContact O-N 2.92Å; V42-R44 PolarHBondContact O-N 3.12Å; V42-R44 VanDerWaalsContact O-N 3.09Å; R44-E92 WeakPolarHBondContact CA-OE1 3.02Å; R44-E92 WeakPolarHBondContact CB-OE1 3.03Å; R44-E92 WeakPolarHBondContact CG-OE1 3.43Å; R44-E92 VanDerWaalsContact O-CD 3.26Å; R44-E92 WeakPolarHBondContact O-CG 3.35Å
45	Y	93.2	Very high	87.9	Confident	19 Å²	19	61.3 Å²	61.3	8%	0.075	28%	0.283	C	S	.	.	S	Bend	trans	-62.7	146.4	-180	-66.7	-37.3	0	0	0	112.3	V42 V471 K478 V512 P513 R516	V42-Y45 HydrophobicContact CB-CD2 4.48Å; V42-Y45 HydrophobicContact CB-CE2 4.29Å; V42-Y45 HydrophobicContact CG1-CD2 4.39Å; V42-Y45 HydrophobicContact CG2-CE2 4.16Å; V42-Y45 VanDerWaalsContact O-CD2 3.25Å; V42-Y45 WeakPolarHBondContact O-CD2 3.4Å; V42-Y45 PolarHBondContact O-N 2.04Å; V42-Y45 VanDerWaalsContact O-N 3.12Å; Y45-V471 HydrophobicContact CE2-CG1 4.47Å; Y45-K478 PolarHBondContact O-NZ 3.18Å; Y45-V512 HydrophobicContact CD2-CB 4.35Å; Y45-V512 HydrophobicContact CD2-CG1 4.19Å; Y45-V512 HydrophobicContact CD2-CG2 3.77Å; Y45-V512 HydrophobicContact CE2-CB 4.41Å; Y45-V512 HydrophobicContact CE2-CG1 3.75Å; Y45-V512 HydrophobicContact CE2-CG2 4.16Å; Y45-V512 HydrophobicContact CG-CG2 4.39Å; Y45-P513 HydrophobicContact CE1-CG 3.79Å; Y45-R516 VanDerWaalsContact OH-CD 3.3Å; Y45-R516 WeakPolarHBondContact OH-CD 3.06Å; Y45-R516 PolarHBondContact OH-NH1 3.17Å
46	P	94.3	Very high	87.1	Confident	27 Å²	27	64.5 Å²	64.5	18%	0.175	31%	0.311	C	S	.	.			trans	-62.1	139.6	177.9	-24.2	34.1	0	0	0	112.8	M89 E92 M94 R511	P46-M89 HydrophobicContact CB-SD 4.12Å; P46-M89 HydrophobicContact CG-SD 4.28Å; P46-E92 CarbonylContact C-O 3.51Å; P46-E92 WeakPolarHBondContact CA-O 3.4Å; P46-M94 HydrophobicContact CB-CG 3.85Å; P46-M94 HydrophobicContact CB-SD 4.31Å; P46-R511 HydrophobicContact CB-CB 4.35Å; P46-R511 PolarHBondContact O-N 3.05Å
47	V	94.4	Very high	86.3	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.7	179.8	-172.8	0	0	0	0	110.5	L49 E92 E93 M94 K478 C508 L509 V510	V47-L49 HydrophobicContact CG1-CD2 3.64Å; V47-L49 HydrophobicContact CG1-CG 4.03Å; V47-E92 PolarHBondContact N-O 2.97Å; V47-E93 VanDerWaalsContact O-CB 3.23Å; V47-E93 WeakPolarHBondContact O-CB 3.47Å; V47-E93 VanDerWaalsContact O-CG 3.31Å; V47-E93 WeakPolarHBondContact O-CG 3.41Å; V47-M94 PolarHBondContact O-N 2.87Å; V47-K478 HydrophobicContact CB-CB 4.49Å; V47-K478 HydrophobicContact CB-CD 4.09Å; V47-K478 HydrophobicContact CG1-CB 4.42Å; V47-K478 HydrophobicContact CG2-CB 4.18Å; V47-K478 HydrophobicContact CG2-CD 3.47Å; V47-K478 VanDerWaalsContact CG2-CD 3.47Å; V47-K478 HydrophobicContact CG2-CG 4.45Å; V47-C508 HydrophobicContact CG1-CB 3.73Å; V47-L509 CarbonylContact C-O 3.5Å; V47-L509 WeakPolarHBondContact CA-O 3.32Å; V47-V510 HydrophobicContact CG1-CG2 4.31Å; V47-V510 HydrophobicContact CG2-CG1 4.3Å; V47-V510 HydrophobicContact CG2-CG2 4.1Å
48	F	94.3	Very high	85.5	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.5	166.8	174.2	-104.4	0	0	0	109.4	L61 I75 Y82 V84 M94 Y96 C508 L509	F48-L61 HydrophobicContact CD1-CD1 4.07Å; F48-L61 HydrophobicContact CE1-CD1 3.88Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; F48-I75 HydrophobicContact CD1-CD1 3.62Å; F48-I75 HydrophobicContact CE1-CD1 3.64Å; F48-I75 HydrophobicContact CG-CD1 4.3Å; F48-I75 HydrophobicContact CZ-CD1 4.32Å; F48-Y82 HydrophobicContact CE1-CG 4.47Å; F48-Y82 AromaticContact CZ-CD1 3.74Å; F48-Y82 HydrophobicContact CZ-CD1 3.74Å; F48-Y82 HydrophobicContact CZ-CE1 4.24Å; F48-Y82 AromaticContact CZ-CG 3.97Å; F48-Y82 HydrophobicContact CZ-CG 3.97Å; F48-V84 HydrophobicContact CD2-CG2 3.76Å; F48-V84 HydrophobicContact CE2-CG2 3.5Å; F48-V84 HydrophobicContact CG-CG2 4.39Å; F48-V84 HydrophobicContact CZ-CG2 3.91Å; F48-M94 HydrophobicContact CB-CB 4.03Å; F48-M94 HydrophobicContact CB-CE 4.06Å; F48-M94 WeakPolarHBondContact CD2-O 3.24Å; F48-Y96 HydrophobicContact CE2-CD1 4.36Å; F48-Y96 HydrophobicContact CZ-CD1 4.48Å; F48-C508 WeakPolarHBondContact O-CA 3.4Å; F48-L509 HydrophobicContact CB-CB 4.24Å; F48-L509 PolarHBondContact N-O 2.92Å; F48-L509 PolarHBondContact O-N 3.18Å; F48-L509 VanDerWaalsContact O-N 3.16Å
49	L	92.2	Very high	84.7	Confident	24 Å²	24	69.1 Å²	69.1	13%	0.126	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	22.4	-177.3	-61.8	178	0	0	0	113.1	V47 R51 K478 C508	V47-L49 HydrophobicContact CG1-CD2 3.64Å; V47-L49 HydrophobicContact CG1-CG 4.03Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-K478 WeakPolarHBondContact CD2-O 2.98Å; L49-C508 HydrophobicContact CD2-CB 3.93Å
50	G	90.3	Very high	84.6	Confident	2 Å²	2	73.1 Å²	73.1	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.3	7.2	174.4	0	0	0	0	0	116	Y96	G50-Y96 VanDerWaalsContact O-CE1 3.29Å; G50-Y96 WeakPolarHBondContact O-CE1 3.38Å
51	R	86.8	Confident	84.6	Confident	79 Å²	79	67.4 Å²	67.4	30%	0.298	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	151.5	-176.2	70.9	-173.4	-173.2	167.2	-8.6	114.1	L49 S55 E93 F95 Y96	L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.36Å; R51-S55 WeakPolarHBondContact CD-O 3.47Å; R51-S55 PolarHBondContact NH1-O 3.26Å; R51-E93 WeakPolarHBondContact CD-OE1 3.49Å; R51-E93 IonicContact CZ-OE1 2.75Å; R51-E93 IonicContact CZ-OE2 3.91Å; R51-E93 IonicContact NE-OE1 2.64Å; R51-E93 PolarHBondContact NE-OE1 3.16Å; R51-E93 IonicContact NE-OE2 3.09Å; R51-E93 PolarHBondContact NE-OE2 3.22Å; R51-E93 IonicContact NH2-OE1 3.2Å; R51-E93 IonicContact NH2-OE2 3.42Å; R51-E93 PolarHBondContact NH2-OE2 3.24Å; R51-F95 HydrophobicContact CG-CD1 4.2Å; R51-F95 HydrophobicContact CG-CE1 4.11Å; R51-Y96 VanDerWaalsContact C-CE1 3.48Å; R51-Y96 WeakPolarHBondContact O-CD1 3.32Å; R51-Y96 PolarHBondContact O-N 2.75Å
52	A	84.4	Confident	84.8	Confident	27 Å²	27	68 Å²	68	22%	0.223	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	153.1	168.3	0	0	0	0	0	110.2	R54 S55 Y96	A52-R54 PolarHBondContact O-N 3.2Å; A52-S55 WeakPolarHBondContact O-CB 3.4Å; A52-S55 PolarHBondContact O-N 2.84Å; A52-Y96 HydrophobicContact CB-CE1 4.17Å; A52-Y96 HydrophobicContact CB-CE2 3.9Å
53	H	79.9	Confident	85.1	Confident	95 Å²	95	67.8 Å²	67.8	44%	0.44	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.9	172.8	-178.2	-129.7	0	0	0	110.6	S55 F95	H53-S55 VanDerWaalsContact C-N 3.28Å; H53-S55 PolarHBondContact O-N 3.07Å; H53-F95 VanDerWaalsContact CA-CD1 3.49Å; H53-F95 HydrophobicContact CB-CB 4.2Å; H53-F95 HydrophobicContact CB-CD1 4.19Å; H53-F95 HydrophobicContact CB-CD2 4.46Å; H53-F95 HydrophobicContact CB-CG 4.01Å
54	R	75.6	Confident	85.5	Confident	226 Å²	226	65 Å²	65	85%	0.853	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	6.6	-173.1	-51.8	177.2	178.5	172.8	-1.4	116.8	A52	A52-R54 PolarHBondContact O-N 3.2Å
55	S	77.7	Confident	85.7	Confident	45 Å²	45	58.7 Å²	58.7	32%	0.315	29%	0.29	S	S	.	.			trans	-84.3	139.3	168.4	-175.8	0	0	0	0	111.7	R51 A52 H53 L57	R51-S55 WeakPolarHBondContact CD-O 3.47Å; R51-S55 PolarHBondContact NH1-O 3.26Å; A52-S55 WeakPolarHBondContact O-CB 3.4Å; A52-S55 PolarHBondContact O-N 2.84Å; H53-S55 VanDerWaalsContact C-N 3.28Å; H53-S55 PolarHBondContact O-N 3.07Å; S55-L57 PolarHBondContact OG-N 2.69Å
56	A	70.1	Confident	85.8	Confident	93 Å²	93	58.6 Å²	58.6	77%	0.769	29%	0.291	S	S	*	.			trans	-89.8	-15.3	171	0	0	0	0	0	113.3	R58	A56-R58 PolarHBondContact O-N 2.72Å
57	L	71.9	Confident	85.9	Confident	136 Å²	136	59 Å²	59	71%	0.712	29%	0.292	S	S	*	.			trans	-76.4	112.7	-173.9	-170.9	70	0	0	0	111	S55	S55-L57 PolarHBondContact OG-N 2.69Å
58	R	69.6	Low	85.9	Confident	126 Å²	126	61.2 Å²	61.2	48%	0.475	30%	0.302	S	S	.	.			trans	-78.4	132.2	167.3	-176.3	179.1	-177.1	137.8	7.4	109.1	A56 K478 C479	A56-R58 PolarHBondContact O-N 2.72Å; R58-K478 VanDerWaalsContact CZ-O 3.28Å; R58-K478 PolarHBondContact NH1-O 3.22Å; R58-K478 PolarHBondContact NH2-O 3.43Å; R58-C479 PolarHBondContact NH2-O 3.12Å; R58-C479 VanDerWaalsContact NH2-O 3.17Å
59	Q	72.8	Confident	85.9	Confident	69 Å²	69	62.3 Å²	62.3	32%	0.322	31%	0.309	S	S	.	.			trans	-109.1	143.9	172.8	-166.3	179.4	-30.4	0	0	109.5	L61 D80	Q59-L61 PolarHBondContact O-N 3.45Å; Q59-D80 PolarHBondContact NE2-OD2 3.14Å
60	E	83.3	Confident	85.7	Confident	133 Å²	133	67.9 Å²	67.9	62%	0.621	34%	0.339	S	S	*	.			trans	-75.3	115.3	171.8	-167	-179.2	-165.4	0	0	109.2	H62	E60-H62 WeakPolarHBondContact CG-NE2 3.4Å; E60-H62 IonicContact OE1-CE1 2.66Å; E60-H62 PolarHBondContact OE1-CE1 2.68Å; E60-H62 IonicContact OE1-NE2 3.31Å; E60-H62 PolarHBondContact OE1-NE2 2.94Å; E60-H62 IonicContact OE2-CE1 2.69Å; E60-H62 IonicContact OE2-NE2 3.83Å; E60-H62 PolarHBondContact OE2-NE2 3.37Å
61	L	88.6	Confident	85.7	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	35%	0.349	C	S	.	.			trans	-79.7	-54.6	-170.4	-73.3	175.5	0	0	0	113.4	F48 Q59 I63 A77 R78 Y82	F48-L61 HydrophobicContact CD1-CD1 4.07Å; F48-L61 HydrophobicContact CE1-CD1 3.88Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; Q59-L61 PolarHBondContact O-N 3.45Å; L61-I63 HydrophobicContact CB-CG1 3.97Å; L61-I63 HydrophobicContact CD1-CD1 4.03Å; L61-I63 HydrophobicContact CD1-CG1 4.06Å; L61-A77 WeakPolarHBondContact O-CB 3.31Å; L61-R78 WeakPolarHBondContact O-CB 3.38Å; L61-R78 PolarHBondContact O-N 2.77Å; L61-Y82 HydrophobicContact CD2-CD2 4.44Å; L61-Y82 HydrophobicContact CD2-CE1 4.25Å; L61-Y82 HydrophobicContact CD2-CE2 3.58Å; L61-Y82 VanDerWaalsContact CD2-CZ 3.48Å; L61-Y82 WeakPolarHBondContact CD2-OH 3.39Å
62	H	93.2	Very high	86.1	Confident	47 Å²	47	67.9 Å²	67.9	22%	0.218	34%	0.341	C	S	.	.			trans	45.4	62.6	-159.3	-41.3	-94.6	0	0	0	111.4	E60 A77 R78 F125 P506	E60-H62 WeakPolarHBondContact CG-NE2 3.4Å; E60-H62 IonicContact OE1-CE1 2.66Å; E60-H62 PolarHBondContact OE1-CE1 2.68Å; E60-H62 IonicContact OE1-NE2 3.31Å; E60-H62 PolarHBondContact OE1-NE2 2.94Å; E60-H62 IonicContact OE2-CE1 2.69Å; E60-H62 IonicContact OE2-NE2 3.83Å; E60-H62 PolarHBondContact OE2-NE2 3.37Å; H62-A77 CarbonylContact O-C 3.47Å; H62-A77 WeakPolarHBondContact O-CA 3.25Å; H62-R78 HydrophobicContact CB-CB 3.96Å; H62-R78 WeakPolarHBondContact CD2-CD 3.46Å; H62-R78 PolarHBondContact NE2-NH1 2.75Å; H62-R78 PolarHBondContact O-N 3.32Å; H62-F125 HydrophobicContact CB-CE1 4.03Å; H62-P506 CarbonylContact C-O 3.51Å; H62-P506 WeakPolarHBondContact CA-O 3.03Å; H62-P506 PolarHBondContact N-O 3.04Å
63	I	96.3	Very high	86.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.33	C	S	.	.			trans	-50.9	144	172.1	-60.2	-175.6	0	0	0	109.1	L61 V66 I75 L490 A504 F505 P506 L509	L61-I63 HydrophobicContact CB-CG1 3.97Å; L61-I63 HydrophobicContact CD1-CD1 4.03Å; L61-I63 HydrophobicContact CD1-CG1 4.06Å; I63-V66 HydrophobicContact CG2-CG2 3.83Å; I63-I75 HydrophobicContact CB-CG2 4.46Å; I63-I75 HydrophobicContact CD1-CG2 3.91Å; I63-I75 HydrophobicContact CG1-CG2 3.9Å; I63-I75 HydrophobicContact CG2-CG2 3.93Å; I63-L490 HydrophobicContact CB-CD1 4.26Å; I63-L490 HydrophobicContact CG2-CD1 4.32Å; I63-L490 WeakPolarHBondContact O-CD1 3.44Å; I63-A504 HydrophobicContact CG2-CB 4.41Å; I63-F505 WeakPolarHBondContact CB-O 3.32Å; I63-P506 PolarHBondContact N-O 2.98Å; I63-L509 HydrophobicContact CD1-CB 4.22Å
64	Q	95.8	Very high	87.4	Confident	45 Å²	45	62.2 Å²	62.2	21%	0.21	31%	0.31	C	S	.	.			trans	-130.1	-38.9	-179.1	-71.6	-60.9	-73	0	0	112.7	G76 F125 I126 K127 P173	Q64-G76 PolarHBondContact N-O 3.25Å; Q64-F125 HydrophobicContact CG-CB 4.12Å; Q64-F125 HydrophobicContact CG-CD1 4.04Å; Q64-I126 WeakPolarHBondContact CB-O 3.31Å; Q64-K127 HydrophobicContact CB-CD 4.25Å; Q64-K127 HydrophobicContact CG-CD 4.31Å; Q64-K127 VanDerWaalsContact OE1-CD 3.28Å; Q64-P173 PolarHBondContact OE1-O 2.7Å
65	T	95.1	Very high	88.5	Confident	35 Å²	35	51.5 Å²	51.5	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.9	179.7	-174.4	0	0	0	0	110.7	G76 I126 L129	T65-G76 PolarHBondContact N-O 3.33Å; T65-G76 PolarHBondContact O-N 3.32Å; T65-I126 HydrophobicContact CG2-CG2 4.26Å; T65-I126 WeakPolarHBondContact CG2-O 3.36Å; T65-L129 HydrophobicContact CG2-CB 3.68Å; T65-L129 HydrophobicContact CG2-CD2 4.1Å
66	V	96.3	Very high	89.4	Confident	17 Å²	17	49.3 Å²	49.3	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127	-178	179.4	0	0	0	0	108.8	I63 L73 Y74 I75 A504 L509	I63-V66 HydrophobicContact CG2-CG2 3.83Å; V66-L73 HydrophobicContact CG1-CD1 3.45Å; V66-L73 VanDerWaalsContact CG1-CD1 3.45Å; V66-L73 HydrophobicContact CG1-CD2 4.27Å; V66-L73 HydrophobicContact CG1-CG 3.88Å; V66-Y74 WeakPolarHBondContact CA-O 3.42Å; V66-I75 HydrophobicContact CG1-CG1 4.42Å; V66-I75 HydrophobicContact CG2-CG1 4.35Å; V66-I75 HydrophobicContact CG2-CG2 4.29Å; V66-A504 HydrophobicContact CG2-CB 3.72Å; V66-L509 HydrophobicContact CG1-CD1 4.05Å; V66-L509 HydrophobicContact CG2-CD1 4.09Å
67	L	96.1	Very high	90.7	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116	-179.8	175.2	70.3	0	0	0	109.4	V69 Y74 L129 L136	L67-V69 HydrophobicContact CD2-CG2 3.99Å; L67-V69 HydrophobicContact CG-CG2 3.94Å; L67-Y74 PolarHBondContact N-O 3.38Å; L67-Y74 PolarHBondContact O-N 3.03Å; L67-L129 HydrophobicContact CB-CD2 3.87Å; L67-L129 HydrophobicContact CB-CG 3.84Å; L67-L129 HydrophobicContact CD2-CD1 4.46Å; L67-L129 HydrophobicContact CD2-CG 4.02Å; L67-L136 HydrophobicContact CD2-CD2 4.2Å
68	Q	94.7	Very high	91.8	Very high	46 Å²	46	40.9 Å²	40.9	22%	0.215	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	168.5	-174.8	176.9	-17.7	0	0	109.9	N70 L73 T493	Q68-N70 PolarHBondContact NE2-O 3.1Å; Q68-L73 HydrophobicContact CB-CD1 3.9Å; Q68-L73 HydrophobicContact CG-CD1 4.47Å; Q68-T493 HydrophobicContact CB-CG2 4.13Å
69	V	92.9	Very high	93.1	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.152	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110.7	169.2	-172	0	0	0	0	107.9	L67 R71 T72 Y74	L67-V69 HydrophobicContact CD2-CG2 3.99Å; L67-V69 HydrophobicContact CG-CG2 3.94Å; V69-R71 PolarHBondContact O-N 3.36Å; V69-T72 PolarHBondContact N-O 3.41Å; V69-T72 PolarHBondContact O-N 2.02Å; V69-T72 VanDerWaalsContact O-O 3.07Å; V69-Y74 HydrophobicContact CB-CE2 4.12Å; V69-Y74 HydrophobicContact CG2-CD2 4.11Å; V69-Y74 HydrophobicContact CG2-CE2 4.09Å
70	N	88.8	Confident	94.2	Very high	141 Å²	141	32.2 Å²	32.2	75%	0.754	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-118.2	-172.2	-56.9	-24	0	0	0	111.2	Q68	Q68-N70 PolarHBondContact NE2-O 3.1Å
71	R	89.9	Confident	94.8	Very high	60 Å²	60	26 Å²	26	23%	0.226	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.5	176.4	-56.2	-149.2	56.7	56.1	5.7	114.3	V69 L86 D87 D495	V69-R71 PolarHBondContact O-N 3.36Å; R71-L86 WeakPolarHBondContact O-CB 3.16Å; R71-L86 WeakPolarHBondContact O-CG 3.28Å; R71-L86 PolarHBondContact O-N 2.85Å; R71-D87 IonicContact CZ-OD1 2.71Å; R71-D87 IonicContact CZ-OD2 2.72Å; R71-D87 IonicContact NE-OD1 3.47Å; R71-D87 PolarHBondContact NE-OD1 3.21Å; R71-D87 IonicContact NE-OD2 3.32Å; R71-D87 PolarHBondContact NE-OD2 2.92Å; R71-D87 IonicContact NH2-OD1 3.35Å; R71-D87 PolarHBondContact NH2-OD1 2.55Å; R71-D87 IonicContact NH2-OD2 3.8Å; R71-D495 IonicContact CZ-OD2 2.69Å; R71-D495 IonicContact NH1-OD1 3.45Å; R71-D495 PolarHBondContact NH1-OD1 3Å; R71-D495 IonicContact NH1-OD2 3.63Å; R71-D495 PolarHBondContact NH1-OD2 2.86Å; R71-D495 IonicContact NH2-OD2 2.77Å; R71-D495 PolarHBondContact NH2-OD2 3.23Å
72	T	94.4	Very high	95.2	Very high	22 Å²	22	26 Å²	26	14%	0.135	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.5	177.6	-48.4	0	0	0	0	110.4	V69 Y74 R83	V69-T72 PolarHBondContact N-O 3.41Å; V69-T72 PolarHBondContact O-N 2.02Å; V69-T72 VanDerWaalsContact O-O 3.07Å; T72-Y74 HydrophobicContact CG2-CD2 4.44Å; T72-Y74 HydrophobicContact CG2-CE1 4.2Å; T72-Y74 HydrophobicContact CG2-CE2 3.67Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.34Å; T72-R83 HydrophobicContact CG2-CG 3.49Å; T72-R83 VanDerWaalsContact CG2-CG 3.49Å
73	L	95.8	Very high	95.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.2	-178.4	-169.1	70.9	0	0	0	109.1	V66 Q68 I75 V84 L86 L502 L509	V66-L73 HydrophobicContact CG1-CD1 3.45Å; V66-L73 VanDerWaalsContact CG1-CD1 3.45Å; V66-L73 HydrophobicContact CG1-CD2 4.27Å; V66-L73 HydrophobicContact CG1-CG 3.88Å; Q68-L73 HydrophobicContact CB-CD1 3.9Å; Q68-L73 HydrophobicContact CG-CD1 4.47Å; L73-I75 HydrophobicContact CD2-CD1 4.2Å; L73-I75 HydrophobicContact CD2-CG1 4.32Å; L73-I75 HydrophobicContact CG-CG1 4.27Å; L73-V84 HydrophobicContact CB-CB 4.27Å; L73-V84 PolarHBondContact N-O 3.38Å; L73-V84 PolarHBondContact O-N 2.73Å; L73-L86 HydrophobicContact CB-CD2 4.17Å; L73-L86 HydrophobicContact CD2-CD2 4.21Å; L73-L502 HydrophobicContact CD1-CD1 3.8Å; L73-L502 HydrophobicContact CD2-CD1 4.13Å; L73-L509 HydrophobicContact CD2-CD1 3.79Å; L73-L509 HydrophobicContact CD2-CD2 4.21Å
74	Y	97.2	Very high	95.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.3	176.4	-60	-86.7	0	0	0	108.8	V66 L67 V69 T72 Y82 R83 L129 L136 R153 L156	V66-Y74 WeakPolarHBondContact CA-O 3.42Å; L67-Y74 PolarHBondContact N-O 3.38Å; L67-Y74 PolarHBondContact O-N 3.03Å; V69-Y74 HydrophobicContact CB-CE2 4.12Å; V69-Y74 HydrophobicContact CG2-CD2 4.11Å; V69-Y74 HydrophobicContact CG2-CE2 4.09Å; T72-Y74 HydrophobicContact CG2-CD2 4.44Å; T72-Y74 HydrophobicContact CG2-CE1 4.2Å; T72-Y74 HydrophobicContact CG2-CE2 3.67Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.34Å; Y74-Y82 VanDerWaalsContact CA-O 3.31Å; Y74-Y82 WeakPolarHBondContact CA-O 2.96Å; Y74-R83 HydrophobicContact CD1-CB 4.18Å; Y74-R83 HydrophobicContact CD1-CG 4.25Å; Y74-R83 HydrophobicContact CE1-CB 3.95Å; Y74-R83 HydrophobicContact CE1-CG 3.6Å; Y74-L129 WeakPolarHBondContact O-CD2 3.25Å; Y74-L136 HydrophobicContact CD1-CD1 3.56Å; Y74-L136 HydrophobicContact CE1-CD1 3.74Å; Y74-L136 HydrophobicContact CG-CD1 4.04Å; Y74-R153 VanDerWaalsContact OH-CG 3.23Å; Y74-R153 WeakPolarHBondContact OH-CG 3.39Å; Y74-R153 PolarHBondContact OH-O 2.84Å; Y74-R153 VanDerWaalsContact OH-O 3.14Å; Y74-L156 HydrophobicContact CD1-CD2 4.04Å; Y74-L156 HydrophobicContact CE1-CD2 3.96Å
75	I	97.5	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.4	-175.8	-56.5	173.8	0	0	0	108.2	F48 I63 V66 L73 Y82 V84 L509	F48-I75 HydrophobicContact CD1-CD1 3.62Å; F48-I75 HydrophobicContact CE1-CD1 3.64Å; F48-I75 HydrophobicContact CG-CD1 4.3Å; F48-I75 HydrophobicContact CZ-CD1 4.32Å; I63-I75 HydrophobicContact CB-CG2 4.46Å; I63-I75 HydrophobicContact CD1-CG2 3.91Å; I63-I75 HydrophobicContact CG1-CG2 3.9Å; I63-I75 HydrophobicContact CG2-CG2 3.93Å; V66-I75 HydrophobicContact CG1-CG1 4.42Å; V66-I75 HydrophobicContact CG2-CG1 4.35Å; V66-I75 HydrophobicContact CG2-CG2 4.29Å; L73-I75 HydrophobicContact CD2-CD1 4.2Å; L73-I75 HydrophobicContact CD2-CG1 4.32Å; L73-I75 HydrophobicContact CG-CG1 4.27Å; I75-Y82 PolarHBondContact N-O 2.71Å; I75-Y82 PolarHBondContact O-N 3.41Å; I75-V84 HydrophobicContact CD1-CG2 4.04Å; I75-L509 HydrophobicContact CD1-CD1 4.13Å
76	G	97.4	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.8	170.2	0	0	0	0	0	110.2	Q64 T65	Q64-G76 PolarHBondContact N-O 3.25Å; T65-G76 PolarHBondContact N-O 3.33Å; T65-G76 PolarHBondContact O-N 3.32Å
77	A	96.7	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-129.4	-161.5	-173.6	0	0	0	0	0	111	L61 H62 D80 Y82 I126	L61-A77 WeakPolarHBondContact O-CB 3.31Å; H62-A77 CarbonylContact O-C 3.47Å; H62-A77 WeakPolarHBondContact O-CA 3.25Å; A77-D80 PolarHBondContact N-O 3.04Å; A77-D80 VanDerWaalsContact N-O 3.1Å; A77-Y82 HydrophobicContact CB-CD2 4.36Å; A77-Y82 HydrophobicContact CB-CE2 3.94Å; A77-I126 PolarHBondContact O-N 2.98Å
78	R	96.4	Very high	94.1	Very high	51 Å²	51	29.7 Å²	29.7	19%	0.192	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-79.7	128.3	165.2	174.8	-172.1	169.6	-177.8	-1.8	110.1	L61 H62 D80 R123 F125	L61-R78 WeakPolarHBondContact O-CB 3.38Å; L61-R78 PolarHBondContact O-N 2.77Å; H62-R78 HydrophobicContact CB-CB 3.96Å; H62-R78 WeakPolarHBondContact CD2-CD 3.46Å; H62-R78 PolarHBondContact NE2-NH1 2.75Å; H62-R78 PolarHBondContact O-N 3.32Å; R78-D80 PolarHBondContact O-N 3.34Å; R78-R123 HydrophobicContact CG-CB 4.14Å; R78-F125 HydrophobicContact CB-CD1 3.86Å; R78-F125 HydrophobicContact CB-CE1 3.7Å; R78-F125 HydrophobicContact CB-CZ 4.38Å; R78-F125 HydrophobicContact CG-CD1 4.32Å; R78-F125 HydrophobicContact CG-CE1 3.9Å; R78-F125 HydrophobicContact CG-CZ 4.07Å
79	D	96.1	Very high	93.6	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	15%	0.154	C	C	.	.	S	Bend	trans	56.6	-3.7	175.6	-61.2	-43.9	0	0	0	115.8	T101 W102 E103 R123 N124	D79-T101 CarbonylContact O-C 3.48Å; D79-T101 WeakPolarHBondContact O-CA 3.38Å; D79-T101 WeakPolarHBondContact O-CG2 3.27Å; D79-W102 CarbonylContact O-C 3.53Å; D79-W102 PolarHBondContact O-N 3.2Å; D79-E103 HydrophobicContact CB-CG 3.82Å; D79-R123 VanDerWaalsContact OD2-CD 3.29Å; D79-R123 WeakPolarHBondContact OD2-CD 3.17Å; D79-R123 IonicContact OD2-CZ 3.29Å; D79-R123 IonicContact OD2-NE 2.83Å; D79-R123 IonicContact OD2-NH1 3.66Å; D79-R123 PolarHBondContact OD2-NH1 3.05Å; D79-N124 PolarHBondContact N-O 3.44Å; D79-N124 PolarHBondContact OD1-N 2.93Å
80	D	96	Very high	93.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.3	-177.4	-78.8	-59.4	0	0	0	113.9	Q59 A77 R78 Y82 K99 R100 T101	Q59-D80 PolarHBondContact NE2-OD2 3.14Å; A77-D80 PolarHBondContact N-O 3.04Å; A77-D80 VanDerWaalsContact N-O 3.1Å; R78-D80 PolarHBondContact O-N 3.34Å; D80-Y82 HydrophobicContact CB-CD2 4.23Å; D80-Y82 HydrophobicContact CB-CE2 3.45Å; D80-Y82 VanDerWaalsContact CB-CE2 3.45Å; D80-Y82 PolarHBondContact OD2-OH 3.33Å; D80-K99 HydrophobicContact CB-CD 4.18Å; D80-K99 HydrophobicContact CB-CG 4.23Å; D80-K99 WeakPolarHBondContact OD1-CD 3.46Å; D80-K99 WeakPolarHBondContact OD1-CE 3.48Å; D80-K99 IonicContact OD1-NZ 2.86Å; D80-K99 PolarHBondContact OD1-NZ 2.99Å; D80-K99 IonicContact OD2-NZ 3.86Å; D80-K99 PolarHBondContact OD2-NZ 3.01Å; D80-R100 WeakPolarHBondContact CA-O 3.42Å; D80-T101 WeakPolarHBondContact OD1-CA 3.28Å; D80-T101 VanDerWaalsContact OD1-CB 3.31Å; D80-T101 WeakPolarHBondContact OD1-CB 3.21Å; D80-T101 PolarHBondContact OD1-OG1 2.76Å
81	L	96.8	Very high	93.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.3	167.5	175.8	65.1	0	0	0	109.1	K99 R100 L129 V138 L156	L81-K99 CarbonylContact O-C 3.46Å; L81-K99 WeakPolarHBondContact O-CA 3.34Å; L81-R100 PolarHBondContact N-O 3.48Å; L81-R100 PolarHBondContact O-N 3Å; L81-L129 HydrophobicContact CD1-CD1 4.03Å; L81-L129 HydrophobicContact CD1-CD2 4.21Å; L81-V138 HydrophobicContact CD2-CG2 4.22Å; L81-L156 HydrophobicContact CD2-CD2 4.03Å; L81-L156 HydrophobicContact CG-CD1 4.35Å; L81-L156 HydrophobicContact CG-CD2 4.41Å
82	Y	96.1	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.8	-178.3	-57.7	-101.6	0	0	0	111.5	F48 L61 Y74 I75 A77 D80 Y96 K99	F48-Y82 HydrophobicContact CE1-CG 4.47Å; F48-Y82 AromaticContact CZ-CD1 3.74Å; F48-Y82 HydrophobicContact CZ-CD1 3.74Å; F48-Y82 HydrophobicContact CZ-CE1 4.24Å; F48-Y82 AromaticContact CZ-CG 3.97Å; F48-Y82 HydrophobicContact CZ-CG 3.97Å; L61-Y82 HydrophobicContact CD2-CD2 4.44Å; L61-Y82 HydrophobicContact CD2-CE1 4.25Å; L61-Y82 HydrophobicContact CD2-CE2 3.58Å; L61-Y82 VanDerWaalsContact CD2-CZ 3.48Å; L61-Y82 WeakPolarHBondContact CD2-OH 3.39Å; Y74-Y82 VanDerWaalsContact CA-O 3.31Å; Y74-Y82 WeakPolarHBondContact CA-O 2.96Å; I75-Y82 PolarHBondContact N-O 2.71Å; I75-Y82 PolarHBondContact O-N 3.41Å; A77-Y82 HydrophobicContact CB-CD2 4.36Å; A77-Y82 HydrophobicContact CB-CE2 3.94Å; D80-Y82 HydrophobicContact CB-CD2 4.23Å; D80-Y82 HydrophobicContact CB-CE2 3.45Å; D80-Y82 VanDerWaalsContact CB-CE2 3.45Å; D80-Y82 PolarHBondContact OD2-OH 3.33Å; Y82-Y96 AromaticContact CD1-CD1 3.57Å; Y82-Y96 HydrophobicContact CD1-CD1 3.57Å; Y82-Y96 HydrophobicContact CD1-CE1 4.11Å; Y82-Y96 HydrophobicContact CD1-CG 4Å; Y82-Y96 AromaticContact CE1-CD1 3.82Å; Y82-Y96 HydrophobicContact CE1-CD1 3.82Å; Y82-Y96 AromaticContact CE1-CE1 3.95Å; Y82-Y96 HydrophobicContact CE1-CE1 3.95Å; Y82-K99 HydrophobicContact CD1-CB 4.13Å; Y82-K99 HydrophobicContact CD1-CD 3.95Å; Y82-K99 HydrophobicContact CD1-CG 3.77Å; Y82-K99 HydrophobicContact CE1-CB 4.33Å; Y82-K99 HydrophobicContact CE1-CD 3.29Å; Y82-K99 HydrophobicContact CE1-CG 3.65Å; Y82-K99 HydrophobicContact CG-CG 4.37Å
83	R	95.8	Very high	92.8	Very high	27 Å²	27	30 Å²	30	10%	0.102	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.2	167.8	-179.2	-176.8	177.1	-79.4	-1.7	108.7	T72 Y74 E85 S97 K98 L156	T72-R83 HydrophobicContact CG2-CG 3.49Å; T72-R83 VanDerWaalsContact CG2-CG 3.49Å; Y74-R83 HydrophobicContact CD1-CB 4.18Å; Y74-R83 HydrophobicContact CD1-CG 4.25Å; Y74-R83 HydrophobicContact CE1-CB 3.95Å; Y74-R83 HydrophobicContact CE1-CG 3.6Å; R83-E85 IonicContact CZ-OE1 3.21Å; R83-E85 VanDerWaalsContact CZ-OE1 3.23Å; R83-E85 VanDerWaalsContact NH1-CD 3.28Å; R83-E85 IonicContact NH1-OE1 3.68Å; R83-E85 PolarHBondContact NH1-OE1 2.99Å; R83-E85 IonicContact NH2-OE1 2.78Å; R83-E85 PolarHBondContact NH2-OE1 3.27Å; R83-S97 WeakPolarHBondContact CG-OG 3.49Å; R83-S97 PolarHBondContact NH1-OG 2.69Å; R83-S97 PolarHBondContact O-N 3.17Å; R83-S97 PolarHBondContact O-OG 2.88Å; R83-K98 HydrophobicContact CB-CB 4.41Å; R83-K98 PolarHBondContact N-O 2.96Å; R83-K98 PolarHBondContact O-N 2.86Å; R83-L156 HydrophobicContact CB-CD1 3.87Å; R83-L156 HydrophobicContact CB-CD2 4.41Å; R83-L156 HydrophobicContact CB-CG 4.26Å
84	V	94.9	Very high	92.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.7	176.9	174.5	0	0	0	0	108.4	F48 L73 I75	F48-V84 HydrophobicContact CD2-CG2 3.76Å; F48-V84 HydrophobicContact CE2-CG2 3.5Å; F48-V84 HydrophobicContact CG-CG2 4.39Å; F48-V84 HydrophobicContact CZ-CG2 3.91Å; L73-V84 HydrophobicContact CB-CB 4.27Å; L73-V84 PolarHBondContact N-O 3.38Å; L73-V84 PolarHBondContact O-N 2.73Å; I75-V84 HydrophobicContact CD1-CG2 4.04Å
85	E	93.1	Very high	92.5	Very high	70 Å²	70	30.5 Å²	30.5	33%	0.327	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.2	171.6	-72.5	171.5	159.5	0	0	107.9	R83 D87 N88	R83-E85 IonicContact CZ-OE1 3.21Å; R83-E85 VanDerWaalsContact CZ-OE1 3.23Å; R83-E85 VanDerWaalsContact NH1-CD 3.28Å; R83-E85 IonicContact NH1-OE1 3.68Å; R83-E85 PolarHBondContact NH1-OE1 2.99Å; R83-E85 IonicContact NH2-OE1 2.78Å; R83-E85 PolarHBondContact NH2-OE1 3.27Å; E85-D87 PolarHBondContact O-N 3.03Å; E85-N88 HydrophobicContact CB-CB 4.05Å; E85-N88 PolarHBondContact O-N 3.4Å
86	L	91.3	Very high	92.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-12.8	-172.2	-67.4	178.4	0	0	0	113.5	R71 L73 D495 L502 R511	R71-L86 WeakPolarHBondContact O-CB 3.16Å; R71-L86 WeakPolarHBondContact O-CG 3.28Å; R71-L86 PolarHBondContact O-N 2.85Å; L73-L86 HydrophobicContact CB-CD2 4.17Å; L73-L86 HydrophobicContact CD2-CD2 4.21Å; L86-D495 HydrophobicContact CD1-CB 4.22Å; L86-L502 HydrophobicContact CD1-CD1 4.35Å; L86-L502 HydrophobicContact CD2-CD1 3.97Å; L86-L502 HydrophobicContact CD2-CD2 4.07Å; L86-R511 PolarHBondContact O-NH1 3.03Å
87	D	87.6	Confident	92	Very high	106 Å²	106	35 Å²	35	57%	0.567	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	-4.1	178.8	-51.2	-45	0	0	0	112.4	R71 E85 M89	R71-D87 IonicContact CZ-OD1 2.71Å; R71-D87 IonicContact CZ-OD2 2.72Å; R71-D87 IonicContact NE-OD1 3.47Å; R71-D87 PolarHBondContact NE-OD1 3.21Å; R71-D87 IonicContact NE-OD2 3.32Å; R71-D87 PolarHBondContact NE-OD2 2.92Å; R71-D87 IonicContact NH2-OD1 3.35Å; R71-D87 PolarHBondContact NH2-OD1 2.55Å; R71-D87 IonicContact NH2-OD2 3.8Å; E85-D87 PolarHBondContact O-N 3.03Å; D87-M89 PolarHBondContact O-N 2.82Å
88	N	85.9	Confident	91.9	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.273	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	80.2	175.3	-175.5	8.6	0	0	0	111	E85 F95	E85-N88 HydrophobicContact CB-CB 4.05Å; E85-N88 PolarHBondContact O-N 3.4Å; N88-F95 PolarHBondContact O-N 2.71Å
89	M	84.6	Confident	91.8	Very high	76 Å²	76	39.4 Å²	39.4	37%	0.374	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.8	-179.1	-56.5	-170	-65.2	0	0	111.4	P46 D87 E93 M94 R511	P46-M89 HydrophobicContact CB-SD 4.12Å; P46-M89 HydrophobicContact CG-SD 4.28Å; D87-M89 PolarHBondContact O-N 2.82Å; M89-E93 CarbonylContact C-O 3.6Å; M89-E93 VanDerWaalsContact CA-O 3.24Å; M89-E93 WeakPolarHBondContact CA-O 3.42Å; M89-E93 WeakPolarHBondContact CB-O 3.47Å; M89-M94 HydrophobicContact CG-CG 3.93Å; M89-M94 HydrophobicContact SD-CG 3.8Å; M89-M94 HydrophobicContact SD-SD 4.23Å; M89-R511 PolarHBondContact SD-NH1 2.85Å
90	A	84.4	Confident	91.8	Very high	48 Å²	48	43.5 Å²	43.5	40%	0.397	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	108.9	169.6	0	0	0	0	0	110	E92 E93 F95	A90-E92 PolarHBondContact O-N 2.83Å; A90-E93 PolarHBondContact N-O 3.32Å; A90-E93 PolarHBondContact O-N 3.06Å; A90-F95 HydrophobicContact CB-CE2 3.75Å
91	G	86.6	Confident	91.7	Very high	72 Å²	72	46.5 Å²	46.5	74%	0.742	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-119.8	-172.4	0	0	0	0	0	111.2
92	E	88.5	Confident	91.7	Very high	83 Å²	83	47.8 Å²	47.8	39%	0.388	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.4	179.2	-47.5	-176.5	174.2	0	0	112.7	R44 P46 V47 A90 K478	R44-E92 WeakPolarHBondContact CA-OE1 3.02Å; R44-E92 WeakPolarHBondContact CB-OE1 3.03Å; R44-E92 WeakPolarHBondContact CG-OE1 3.43Å; R44-E92 VanDerWaalsContact O-CD 3.26Å; R44-E92 WeakPolarHBondContact O-CG 3.35Å; P46-E92 CarbonylContact C-O 3.51Å; P46-E92 WeakPolarHBondContact CA-O 3.4Å; V47-E92 PolarHBondContact N-O 2.97Å; A90-E92 PolarHBondContact O-N 2.83Å; E92-K478 IonicContact OE2-NZ 3.22Å; E92-K478 PolarHBondContact OE2-NZ 3.2Å
93	E	90.6	Very high	91.7	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.7	171.6	170.2	-125	-118.1	0	0	115.7	V47 R51 M89 A90 F95	V47-E93 VanDerWaalsContact O-CB 3.23Å; V47-E93 WeakPolarHBondContact O-CB 3.47Å; V47-E93 VanDerWaalsContact O-CG 3.31Å; V47-E93 WeakPolarHBondContact O-CG 3.41Å; R51-E93 WeakPolarHBondContact CD-OE1 3.49Å; R51-E93 IonicContact CZ-OE1 2.75Å; R51-E93 IonicContact CZ-OE2 3.91Å; R51-E93 IonicContact NE-OE1 2.64Å; R51-E93 PolarHBondContact NE-OE1 3.16Å; R51-E93 IonicContact NE-OE2 3.09Å; R51-E93 PolarHBondContact NE-OE2 3.22Å; R51-E93 IonicContact NH2-OE1 3.2Å; R51-E93 IonicContact NH2-OE2 3.42Å; R51-E93 PolarHBondContact NH2-OE2 3.24Å; M89-E93 CarbonylContact C-O 3.6Å; M89-E93 VanDerWaalsContact CA-O 3.24Å; M89-E93 WeakPolarHBondContact CA-O 3.42Å; M89-E93 WeakPolarHBondContact CB-O 3.47Å; A90-E93 PolarHBondContact N-O 3.32Å; A90-E93 PolarHBondContact O-N 3.06Å; E93-F95 HydrophobicContact CB-CZ 4.46Å; E93-F95 HydrophobicContact CG-CD1 4.41Å; E93-F95 HydrophobicContact CG-CE1 3.92Å; E93-F95 HydrophobicContact CG-CE2 4.18Å; E93-F95 HydrophobicContact CG-CZ 3.78Å; E93-F95 VanDerWaalsContact OE2-CE1 3.28Å; E93-F95 WeakPolarHBondContact OE2-CE1 3.33Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.5Å
94	M	92.5	Very high	91.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.5	157.1	-60.3	-169.4	-74.7	0	0	111.3	P46 V47 F48 M89 L509 R511	P46-M94 HydrophobicContact CB-CG 3.85Å; P46-M94 HydrophobicContact CB-SD 4.31Å; V47-M94 PolarHBondContact O-N 2.87Å; F48-M94 HydrophobicContact CB-CB 4.03Å; F48-M94 HydrophobicContact CB-CE 4.06Å; F48-M94 WeakPolarHBondContact CD2-O 3.24Å; M89-M94 HydrophobicContact CG-CG 3.93Å; M89-M94 HydrophobicContact SD-CG 3.8Å; M89-M94 HydrophobicContact SD-SD 4.23Å; M94-L509 HydrophobicContact CE-CD2 3.72Å; M94-L509 VanDerWaalsContact CE-O 3.25Å; M94-L509 WeakPolarHBondContact CE-O 3.41Å; M94-R511 HydrophobicContact CE-CB 3.8Å; M94-R511 HydrophobicContact SD-CB 3.85Å
95	F	92.8	Very high	91.8	Very high	12 Å²	12	56 Å²	56	5%	0.053	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.2	-175.4	-58.6	-82.7	0	0	0	113	R51 H53 N88 A90 E93	R51-F95 HydrophobicContact CG-CD1 4.2Å; R51-F95 HydrophobicContact CG-CE1 4.11Å; H53-F95 VanDerWaalsContact CA-CD1 3.49Å; H53-F95 HydrophobicContact CB-CB 4.2Å; H53-F95 HydrophobicContact CB-CD1 4.19Å; H53-F95 HydrophobicContact CB-CD2 4.46Å; H53-F95 HydrophobicContact CB-CG 4.01Å; N88-F95 PolarHBondContact O-N 2.71Å; A90-F95 HydrophobicContact CB-CE2 3.75Å; E93-F95 HydrophobicContact CB-CZ 4.46Å; E93-F95 HydrophobicContact CG-CD1 4.41Å; E93-F95 HydrophobicContact CG-CE1 3.92Å; E93-F95 HydrophobicContact CG-CE2 4.18Å; E93-F95 HydrophobicContact CG-CZ 3.78Å; E93-F95 VanDerWaalsContact OE2-CE1 3.28Å; E93-F95 WeakPolarHBondContact OE2-CE1 3.33Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.5Å
96	Y	92.9	Very high	91.9	Very high	54 Å²	54	61.7 Å²	61.7	21%	0.212	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.2	170.7	68.2	-108.8	0	0	0	111.9	F48 G50 R51 A52 Y82 K99	F48-Y96 HydrophobicContact CE2-CD1 4.36Å; F48-Y96 HydrophobicContact CZ-CD1 4.48Å; G50-Y96 VanDerWaalsContact O-CE1 3.29Å; G50-Y96 WeakPolarHBondContact O-CE1 3.38Å; R51-Y96 VanDerWaalsContact C-CE1 3.48Å; R51-Y96 WeakPolarHBondContact O-CD1 3.32Å; R51-Y96 PolarHBondContact O-N 2.75Å; A52-Y96 HydrophobicContact CB-CE1 4.17Å; A52-Y96 HydrophobicContact CB-CE2 3.9Å; Y82-Y96 AromaticContact CD1-CD1 3.57Å; Y82-Y96 HydrophobicContact CD1-CD1 3.57Å; Y82-Y96 HydrophobicContact CD1-CE1 4.11Å; Y82-Y96 HydrophobicContact CD1-CG 4Å; Y82-Y96 AromaticContact CE1-CD1 3.82Å; Y82-Y96 HydrophobicContact CE1-CD1 3.82Å; Y82-Y96 AromaticContact CE1-CE1 3.95Å; Y82-Y96 HydrophobicContact CE1-CE1 3.95Å; Y96-K99 HydrophobicContact CD2-CB 4.06Å; Y96-K99 HydrophobicContact CE1-CB 4.28Å; Y96-K99 HydrophobicContact CE1-CD 4.35Å; Y96-K99 HydrophobicContact CE2-CB 3.71Å; Y96-K99 HydrophobicContact CG-CB 4.49Å
97	S	93	Very high	92.2	Very high	39 Å²	39	65.2 Å²	65.2	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-39.8	169.5	65.6	0	0	0	0	111.5	R83	R83-S97 WeakPolarHBondContact CG-OG 3.49Å; R83-S97 PolarHBondContact NH1-OG 2.69Å; R83-S97 PolarHBondContact O-N 3.17Å; R83-S97 PolarHBondContact O-OG 2.88Å
98	K	93.6	Very high	92.6	Very high	83 Å²	83	61 Å²	61	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.1	174.3	-63.2	-173.3	-176.9	176.5	0	110.3	R83 D154 L156	R83-K98 HydrophobicContact CB-CB 4.41Å; R83-K98 PolarHBondContact N-O 2.96Å; R83-K98 PolarHBondContact O-N 2.86Å; K98-D154 WeakPolarHBondContact CD-O 3.32Å; K98-D154 WeakPolarHBondContact CE-O 3.26Å; K98-D154 PolarHBondContact NZ-O 2.83Å; K98-L156 HydrophobicContact CB-CD1 4.26Å
99	K	94.3	Very high	93.1	Very high	61 Å²	61	60 Å²	60	27%	0.265	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.8	169.9	-173.3	-178.7	88.6	139.6	0	108.4	D80 L81 Y82 Y96	D80-K99 HydrophobicContact CB-CD 4.18Å; D80-K99 HydrophobicContact CB-CG 4.23Å; D80-K99 WeakPolarHBondContact OD1-CD 3.46Å; D80-K99 WeakPolarHBondContact OD1-CE 3.48Å; D80-K99 IonicContact OD1-NZ 2.86Å; D80-K99 PolarHBondContact OD1-NZ 2.99Å; D80-K99 IonicContact OD2-NZ 3.86Å; D80-K99 PolarHBondContact OD2-NZ 3.01Å; L81-K99 CarbonylContact O-C 3.46Å; L81-K99 WeakPolarHBondContact O-CA 3.34Å; Y82-K99 HydrophobicContact CD1-CB 4.13Å; Y82-K99 HydrophobicContact CD1-CD 3.95Å; Y82-K99 HydrophobicContact CD1-CG 3.77Å; Y82-K99 HydrophobicContact CE1-CB 4.33Å; Y82-K99 HydrophobicContact CE1-CD 3.29Å; Y82-K99 HydrophobicContact CE1-CG 3.65Å; Y82-K99 HydrophobicContact CG-CG 4.37Å; Y96-K99 HydrophobicContact CD2-CB 4.06Å; Y96-K99 HydrophobicContact CE1-CB 4.28Å; Y96-K99 HydrophobicContact CE1-CD 4.35Å; Y96-K99 HydrophobicContact CE2-CB 3.71Å; Y96-K99 HydrophobicContact CG-CB 4.49Å
100	R	95.8	Very high	93.7	Very high	97 Å²	97	63.4 Å²	63.4	37%	0.366	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119	169.3	177.9	66.5	-171.6	-143.8	2.1	109.9	D80 L81 Y151 L156	D80-R100 WeakPolarHBondContact CA-O 3.42Å; L81-R100 PolarHBondContact N-O 3.48Å; L81-R100 PolarHBondContact O-N 3Å; R100-Y151 HydrophobicContact CG-CE1 3.86Å; R100-L156 HydrophobicContact CB-CB 3.68Å; R100-L156 HydrophobicContact CB-CD1 4.17Å; R100-L156 WeakPolarHBondContact CB-O 3.07Å; R100-L156 VanDerWaalsContact CD-O 3.28Å; R100-L156 WeakPolarHBondContact CD-O 3.43Å; R100-L156 HydrophobicContact CG-CB 4.48Å; R100-L156 WeakPolarHBondContact CG-O 3.45Å
101	T	95.6	Very high	94.3	Very high	65 Å²	65	63.2 Å²	63.2	40%	0.399	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.7	171.7	-51.6	0	0	0	0	110.1	D79 D80 E103	D79-T101 CarbonylContact O-C 3.48Å; D79-T101 WeakPolarHBondContact O-CA 3.38Å; D79-T101 WeakPolarHBondContact O-CG2 3.27Å; D80-T101 WeakPolarHBondContact OD1-CA 3.28Å; D80-T101 VanDerWaalsContact OD1-CB 3.31Å; D80-T101 WeakPolarHBondContact OD1-CB 3.21Å; D80-T101 PolarHBondContact OD1-OG1 2.76Å; T101-E103 HydrophobicContact CG2-CG 3.92Å
102	W	95.9	Very high	94.8	Very high	32 Å²	32	59.9 Å²	59.9	12%	0.121	28%	0.28	C	S	.	.			trans	-140.1	64.6	176.3	-175.5	20.5	0	0	0	109.1	D79 N124 I126 V138 L147 A149 Y151	D79-W102 CarbonylContact O-C 3.53Å; D79-W102 PolarHBondContact O-N 3.2Å; W102-N124 VanDerWaalsContact CD2-ND2 3.32Å; W102-N124 WeakPolarHBondContact O-CB 3.3Å; W102-N124 PolarHBondContact O-ND2 3.31Å; W102-I126 HydrophobicContact CE3-CD1 3.55Å; W102-I126 HydrophobicContact CZ3-CD1 3.89Å; W102-V138 HydrophobicContact CZ3-CB 4.48Å; W102-V138 HydrophobicContact CZ3-CG1 4.12Å; W102-L147 HydrophobicContact CH2-CB 4.35Å; W102-L147 HydrophobicContact CZ2-CB 3.95Å; W102-A149 HydrophobicContact CH2-CB 4.28Å; W102-A149 HydrophobicContact CZ2-CB 4.39Å; W102-Y151 VanDerWaalsContact CD2-OH 3.27Å; W102-Y151 HydrophobicContact CE3-CE2 4.02Å; W102-Y151 HydrophobicContact CZ3-CE2 4.19Å
103	E	95.8	Very high	95.2	Very high	113 Å²	113	61.5 Å²	61.5	53%	0.528	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-64.4	150.3	176.1	-79.4	-171.7	143.1	0	0	112.5	D79 T101 R123	D79-E103 HydrophobicContact CB-CG 3.82Å; T101-E103 HydrophobicContact CG2-CG 3.92Å; E103-R123 IonicContact OE1-NH1 2.7Å; E103-R123 PolarHBondContact OE1-NH1 2.85Å
104	S	96.8	Very high	95.5	Very high	7 Å²	7	67 Å²	67	5%	0.049	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-63.9	140.7	164.8	-73.2	0	0	0	0	112	I109 N124 N142 A143	S104-I109 WeakPolarHBondContact O-CD1 3.38Å; S104-N124 PolarHBondContact OG-N 2.89Å; S104-N142 VanDerWaalsContact CA-OD1 3.27Å; S104-N142 WeakPolarHBondContact CA-OD1 3.06Å; S104-N142 VanDerWaalsContact CB-OD1 3.24Å; S104-N142 WeakPolarHBondContact CB-OD1 3.25Å; S104-N142 VanDerWaalsContact OG-CA 3.25Å; S104-N142 WeakPolarHBondContact OG-CA 3.42Å; S104-N142 PolarHBondContact OG-OD1 2.99Å; S104-A143 PolarHBondContact OG-N 2.66Å
105	N	95.5	Very high	95.6	Very high	81 Å²	81	71.8 Å²	71.8	43%	0.433	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-66.9	153.7	175	71.4	69.1	0	0	0	111.3	N107 D108 I109	N105-N107 PolarHBondContact O-N 3.24Å; N105-N107 WeakPolarHBondContact OD1-CA 3.42Å; N105-N107 WeakPolarHBondContact OD1-CB 3.42Å; N105-N107 PolarHBondContact OD1-N 3.09Å; N105-D108 PolarHBondContact ND2-OD2 2.96Å; N105-D108 PolarHBondContact O-N 3.22Å; N105-D108 PolarHBondContact OD1-N 3.03Å; N105-I109 WeakPolarHBondContact O-CG1 3.34Å; N105-I109 PolarHBondContact O-N 3.14Å
106	K	96.1	Very high	95.7	Very high	190 Å²	190	74.3 Å²	74.3	83%	0.826	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-20.2	-175.3	-63.4	-178	-178.5	177.9	0	113.8	R110	K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 2.92Å
107	N	96.8	Very high	95.8	Very high	76 Å²	76	74.1 Å²	74.1	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-78.5	-45.4	176	-177.7	64.3	0	0	0	111.8	N105 I109 R110 V111	N105-N107 PolarHBondContact O-N 3.24Å; N105-N107 WeakPolarHBondContact OD1-CA 3.42Å; N105-N107 WeakPolarHBondContact OD1-CB 3.42Å; N105-N107 PolarHBondContact OD1-N 3.09Å; N107-I109 PolarHBondContact O-N 2.9Å; N107-R110 WeakPolarHBondContact O-CB 3.35Å; N107-R110 PolarHBondContact O-N 3.1Å; N107-R110 PolarHBondContact OD1-NH2 2.73Å; N107-V111 WeakPolarHBondContact O-CG2 3.45Å; N107-V111 PolarHBondContact O-N 2.53Å
108	D	96.1	Very high	95.9	Very high	18 Å²	18	78.8 Å²	78.8	10%	0.096	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-44.4	175.5	-75.6	-32.1	0	0	0	111.2	N105 R110 V111 C112 N142 A143 N145	N105-D108 PolarHBondContact ND2-OD2 2.96Å; N105-D108 PolarHBondContact O-N 3.22Å; N105-D108 PolarHBondContact OD1-N 3.03Å; D108-R110 VanDerWaalsContact C-N 3.3Å; D108-R110 PolarHBondContact O-N 2.95Å; D108-V111 PolarHBondContact O-N 3.3Å; D108-C112 VanDerWaalsContact O-CB 3.29Å; D108-C112 WeakPolarHBondContact O-CB 3.33Å; D108-C112 PolarHBondContact O-N 2.91Å; D108-N142 PolarHBondContact OD2-ND2 2.95Å; D108-A143 HydrophobicContact CB-CB 4.37Å; D108-N145 PolarHBondContact OD1-ND2 2.69Å
109	I	96.9	Very high	95.6	Very high	29 Å²	29	80 Å²	80	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-58	-43.3	174.6	-60	176.6	0	0	0	110.9	S104 N105 N107 R113 C122 A143	S104-I109 WeakPolarHBondContact O-CD1 3.38Å; N105-I109 WeakPolarHBondContact O-CG1 3.34Å; N105-I109 PolarHBondContact O-N 3.14Å; N107-I109 PolarHBondContact O-N 2.9Å; I109-R113 WeakPolarHBondContact O-CG 3.31Å; I109-R113 PolarHBondContact O-N 2.81Å; I109-R113 VanDerWaalsContact O-N 3.1Å; I109-C122 HydrophobicContact CG2-CB 4.33Å; I109-A143 HydrophobicContact CG1-CB 4.24Å
110	R	96.9	Very high	95.4	Very high	147 Å²	147	79 Å²	79	56%	0.555	39%	0.391	S	S	*	.	H	α-helix	trans	-63.8	-45.8	175.8	-179.7	-179.5	63.8	164.9	-1	111.7	K106 N107 D108 R113 M114	K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 2.92Å; N107-R110 WeakPolarHBondContact O-CB 3.35Å; N107-R110 PolarHBondContact O-N 3.1Å; N107-R110 PolarHBondContact OD1-NH2 2.73Å; D108-R110 VanDerWaalsContact C-N 3.3Å; D108-R110 PolarHBondContact O-N 2.95Å; R110-R113 PolarHBondContact O-N 3.23Å; R110-M114 HydrophobicContact CG-CE 4.13Å; R110-M114 HydrophobicContact CG-SD 4.3Å; R110-M114 VanDerWaalsContact O-CG 3.31Å; R110-M114 WeakPolarHBondContact O-CG 3.5Å; R110-M114 PolarHBondContact O-N 3.03Å
111	V	97.2	Very high	95.3	Very high	45 Å²	45	75.7 Å²	75.7	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-41.7	178.9	169.1	0	0	0	0	111.2	N107 D108 M114 K115	N107-V111 WeakPolarHBondContact O-CG2 3.45Å; N107-V111 PolarHBondContact O-N 2.53Å; D108-V111 PolarHBondContact O-N 3.3Å; V111-M114 HydrophobicContact CB-CE 4.43Å; V111-M114 HydrophobicContact CG2-CE 3.91Å; V111-M114 PolarHBondContact O-N 2.86Å; V111-K115 HydrophobicContact CG1-CD 4.41Å; V111-K115 WeakPolarHBondContact O-CG 3.27Å; V111-K115 PolarHBondContact O-N 2.6Å
112	C	97.1	Very high	95.3	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-57.6	-47.9	174	179.4	0	0	0	0	112.4	D108 K115 G116 K117 C122 A143 F144	D108-C112 VanDerWaalsContact O-CB 3.29Å; D108-C112 WeakPolarHBondContact O-CB 3.33Å; D108-C112 PolarHBondContact O-N 2.91Å; C112-K115 CarbonylContact O-C 3.55Å; C112-K115 WeakPolarHBondContact O-CB 3.35Å; C112-K115 PolarHBondContact O-N 2.83Å; C112-K115 VanDerWaalsContact O-N 3.14Å; C112-G116 PolarHBondContact O-N 2.87Å; C112-K117 PolarHBondContact O-N 2.9Å; C112-C122 VanDerWaalsContact C-SG 3.51Å; C112-C122 HydrophobicContact CB-CB 3.66Å; C112-C122 WeakPolarHBondContact CB-SG 3.19Å; C112-C122 WeakPolarHBondContact SG-CA 3.38Å; C112-C122 WeakPolarHBondContact SG-CB 3.46Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 3.35Å; C112-A143 HydrophobicContact CB-CB 4.08Å; C112-A143 VanDerWaalsContact CB-O 3.28Å; C112-A143 WeakPolarHBondContact CB-O 3.36Å; C112-F144 VanDerWaalsContact SG-CD2 3.52Å
113	R	96.9	Very high	95.4	Very high	117 Å²	117	73.8 Å²	73.8	44%	0.442	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-37.4	176	-68.2	176.1	75.4	159.5	13	112.5	I109 R110 K115 G116 E119 C122	I109-R113 WeakPolarHBondContact O-CG 3.31Å; I109-R113 PolarHBondContact O-N 2.81Å; I109-R113 VanDerWaalsContact O-N 3.1Å; R110-R113 PolarHBondContact O-N 3.23Å; R113-K115 PolarHBondContact O-N 3.47Å; R113-G116 PolarHBondContact O-N 2.84Å; R113-E119 VanDerWaalsContact CZ-CD 3.41Å; R113-E119 IonicContact CZ-OE1 3.3Å; R113-E119 IonicContact CZ-OE2 2.69Å; R113-E119 IonicContact NH1-OE1 3.69Å; R113-E119 PolarHBondContact NH1-OE1 2.7Å; R113-E119 IonicContact NH1-OE2 3.46Å; R113-E119 PolarHBondContact NH1-OE2 3.18Å; R113-E119 IonicContact NH2-OE1 3.42Å; R113-E119 IonicContact NH2-OE2 2.76Å; R113-E119 PolarHBondContact NH2-OE2 2.82Å; R113-C122 HydrophobicContact CG-CB 4.35Å
114	M	96.5	Very high	95.5	Very high	137 Å²	137	68.4 Å²	68.4	68%	0.675	34%	0.34	S	S	*	.	H	α-helix	trans	-66.1	-23.8	173.6	-70.3	-173.5	-52.7	0	0	113	R110 V111 G116	R110-M114 HydrophobicContact CG-CE 4.13Å; R110-M114 HydrophobicContact CG-SD 4.3Å; R110-M114 VanDerWaalsContact O-CG 3.31Å; R110-M114 WeakPolarHBondContact O-CG 3.5Å; R110-M114 PolarHBondContact O-N 3.03Å; V111-M114 HydrophobicContact CB-CE 4.43Å; V111-M114 HydrophobicContact CG2-CE 3.91Å; V111-M114 PolarHBondContact O-N 2.86Å; M114-G116 PolarHBondContact O-N 2.86Å
115	K	95.1	Very high	95.5	Very high	103 Å²	103	68.7 Å²	68.7	45%	0.448	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	8.9	169	-64.3	173.1	-176.5	174.9	0	113.6	V111 C112 R113 F194	V111-K115 HydrophobicContact CG1-CD 4.41Å; V111-K115 WeakPolarHBondContact O-CG 3.27Å; V111-K115 PolarHBondContact O-N 2.6Å; C112-K115 CarbonylContact O-C 3.55Å; C112-K115 WeakPolarHBondContact O-CB 3.35Å; C112-K115 PolarHBondContact O-N 2.83Å; C112-K115 VanDerWaalsContact O-N 3.14Å; R113-K115 PolarHBondContact O-N 3.47Å; K115-F194 HydrophobicContact CB-CE1 4.04Å; K115-F194 HydrophobicContact CB-CE2 4.1Å; K115-F194 HydrophobicContact CB-CZ 3.51Å; K115-F194 HydrophobicContact CD-CD1 4.44Å; K115-F194 HydrophobicContact CD-CD2 3.82Å; K115-F194 HydrophobicContact CD-CE1 4.15Å; K115-F194 HydrophobicContact CD-CE2 3.48Å; K115-F194 VanDerWaalsContact CD-CE2 3.48Å; K115-F194 HydrophobicContact CD-CG 4.3Å; K115-F194 HydrophobicContact CD-CZ 3.67Å; K115-F194 HydrophobicContact CG-CE2 4.45Å; K115-F194 HydrophobicContact CG-CZ 4.2Å
116	G	95.2	Very high	95.7	Very high	64 Å²	64	64.9 Å²	64.9	66%	0.66	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	8.8	173.4	0	0	0	0	0	116.4	C112 R113 M114	C112-G116 PolarHBondContact O-N 2.87Å; R113-G116 PolarHBondContact O-N 2.84Å; M114-G116 PolarHBondContact O-N 2.86Å
117	K	95.6	Very high	95.7	Very high	50 Å²	50	57.3 Å²	57.3	22%	0.217	29%	0.287	C	S	.	.			trans	-79.9	152	175.9	-73	-75	-177.7	168.1	0	112.1	C112 E121 F144 D172 F194	C112-K117 PolarHBondContact O-N 2.9Å; K117-E121 VanDerWaalsContact CD-OE2 3.32Å; K117-E121 WeakPolarHBondContact CD-OE2 3.36Å; K117-F144 HydrophobicContact CB-CE2 4.35Å; K117-F144 HydrophobicContact CD-CD1 4.45Å; K117-F144 HydrophobicContact CD-CE1 3.78Å; K117-F144 HydrophobicContact CD-CE2 3.96Å; K117-F144 HydrophobicContact CD-CZ 3.5Å; K117-F144 HydrophobicContact CG-CD1 4.4Å; K117-F144 HydrophobicContact CG-CD2 4.26Å; K117-F144 HydrophobicContact CG-CE1 4.2Å; K117-F144 HydrophobicContact CG-CE2 4.03Å; K117-F144 HydrophobicContact CG-CG 4.46Å; K117-F144 HydrophobicContact CG-CZ 4.02Å; K117-D172 IonicContact NZ-OD2 2.68Å; K117-D172 PolarHBondContact NZ-OD2 3.26Å; K117-F194 HydrophobicContact CG-CE2 4.31Å; K117-F194 HydrophobicContact CG-CZ 3.89Å
118	H	93.4	Very high	95.8	Very high	138 Å²	138	53.9 Å²	53.9	64%	0.639	27%	0.269	S	S	*	.			trans	-73.7	151.6	-176.8	-65.5	-82.5	0	0	0	112.1	G120 E121 C122	H118-G120 PolarHBondContact O-N 2.75Å; H118-E121 HydrophobicContact CB-CG 4.05Å; H118-E121 IonicContact CD2-OE2 3.9Å; H118-E121 PolarHBondContact CD2-OE2 3.43Å; H118-E121 IonicContact CG-OE2 3.23Å; H118-E121 PolarHBondContact N-OE2 3.22Å; H118-E121 WeakPolarHBondContact O-CA 3.33Å; H118-E121 WeakPolarHBondContact O-CB 3.23Å; H118-E121 PolarHBondContact O-N 3.28Å; H118-C122 PolarHBondContact O-N 3.02Å; H118-C122 PolarHBondContact O-SG 3.4Å; H118-C122 VanDerWaalsContact O-SG 3.4Å
119	E	89	Confident	95.9	Very high	107 Å²	107	53.4 Å²	53.4	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.1	-176.6	179.7	156.6	-155.8	0	0	114.3	R113	R113-E119 VanDerWaalsContact CZ-CD 3.41Å; R113-E119 IonicContact CZ-OE1 3.3Å; R113-E119 IonicContact CZ-OE2 2.69Å; R113-E119 IonicContact NH1-OE1 3.69Å; R113-E119 PolarHBondContact NH1-OE1 2.7Å; R113-E119 IonicContact NH1-OE2 3.46Å; R113-E119 PolarHBondContact NH1-OE2 3.18Å; R113-E119 IonicContact NH2-OE1 3.42Å; R113-E119 IonicContact NH2-OE2 2.76Å; R113-E119 PolarHBondContact NH2-OE2 2.82Å
120	G	89.7	Confident	95.8	Very high	40 Å²	40	53.7 Å²	53.7	41%	0.412	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.1	170.7	0	0	0	0	0	114.1	H118 F125	H118-G120 PolarHBondContact O-N 2.75Å; G120-F125 WeakPolarHBondContact O-CZ 3.45Å
121	E	93.1	Very high	95.7	Very high	28 Å²	28	49.1 Å²	49.1	13%	0.131	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-30.2	177.5	-55.5	174.1	134.8	0	0	111.5	K117 H118 R123 F144 R174	K117-E121 VanDerWaalsContact CD-OE2 3.32Å; K117-E121 WeakPolarHBondContact CD-OE2 3.36Å; H118-E121 HydrophobicContact CB-CG 4.05Å; H118-E121 IonicContact CD2-OE2 3.9Å; H118-E121 PolarHBondContact CD2-OE2 3.43Å; H118-E121 IonicContact CG-OE2 3.23Å; H118-E121 PolarHBondContact N-OE2 3.22Å; H118-E121 WeakPolarHBondContact O-CA 3.33Å; H118-E121 WeakPolarHBondContact O-CB 3.23Å; H118-E121 PolarHBondContact O-N 3.28Å; E121-R123 PolarHBondContact O-N 2.89Å; E121-F144 HydrophobicContact CB-CE2 3.87Å; E121-F144 HydrophobicContact CB-CZ 4.33Å; E121-R174 IonicContact OE1-CZ 2.68Å; E121-R174 IonicContact OE1-NH1 2.7Å; E121-R174 PolarHBondContact OE1-NH1 2.91Å; E121-R174 IonicContact OE1-NH2 2.72Å; E121-R174 PolarHBondContact OE1-NH2 3.48Å
122	C	96.6	Very high	95.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-77.5	58.3	-179.2	-65.9	0	0	0	0	113.4	I109 C112 R113 H118 A143	I109-C122 HydrophobicContact CG2-CB 4.33Å; C112-C122 VanDerWaalsContact C-SG 3.51Å; C112-C122 HydrophobicContact CB-CB 3.66Å; C112-C122 WeakPolarHBondContact CB-SG 3.19Å; C112-C122 WeakPolarHBondContact SG-CA 3.38Å; C112-C122 WeakPolarHBondContact SG-CB 3.46Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 3.35Å; R113-C122 HydrophobicContact CG-CB 4.35Å; H118-C122 PolarHBondContact O-N 3.02Å; H118-C122 PolarHBondContact O-SG 3.4Å; H118-C122 VanDerWaalsContact O-SG 3.4Å; C122-A143 HydrophobicContact CB-CB 4.32Å
123	R	96.8	Very high	94.6	Very high	58 Å²	58	57.8 Å²	57.8	22%	0.219	30%	0.296	C	S	.	.	S	Bend	trans	-139.5	171.7	-179.3	-68.6	-60.6	-164.2	131.7	-17.2	111.6	R78 D79 E103 E121 F125 T141 A143	R78-R123 HydrophobicContact CG-CB 4.14Å; D79-R123 VanDerWaalsContact OD2-CD 3.29Å; D79-R123 WeakPolarHBondContact OD2-CD 3.17Å; D79-R123 IonicContact OD2-CZ 3.29Å; D79-R123 IonicContact OD2-NE 2.83Å; D79-R123 IonicContact OD2-NH1 3.66Å; D79-R123 PolarHBondContact OD2-NH1 3.05Å; E103-R123 IonicContact OE1-NH1 2.7Å; E103-R123 PolarHBondContact OE1-NH1 2.85Å; E121-R123 PolarHBondContact O-N 2.89Å; R123-F125 HydrophobicContact CB-CD2 4.31Å; R123-F125 HydrophobicContact CB-CE2 3.81Å; R123-F125 HydrophobicContact CB-CZ 4.41Å; R123-F125 PolarHBondContact O-N 3.03Å; R123-T141 PolarHBondContact O-OG1 3.38Å; R123-A143 PolarHBondContact O-N 3.28Å
124	N	97.8	Very high	93.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.			trans	-90.6	100.7	177.9	-168.4	22.4	0	0	0	110.7	D79 W102 S104 G140 T141 N142	D79-N124 PolarHBondContact N-O 3.44Å; D79-N124 PolarHBondContact OD1-N 2.93Å; W102-N124 VanDerWaalsContact CD2-ND2 3.32Å; W102-N124 WeakPolarHBondContact O-CB 3.3Å; W102-N124 PolarHBondContact O-ND2 3.31Å; S104-N124 PolarHBondContact OG-N 2.89Å; N124-G140 VanDerWaalsContact OD1-CA 3.24Å; N124-G140 WeakPolarHBondContact OD1-CA 3.43Å; N124-T141 PolarHBondContact OD1-N 3.19Å; N124-N142 WeakPolarHBondContact OD1-CA 3.28Å; N124-N142 PolarHBondContact OD1-N 2.69Å
125	F	97.9	Very high	93.6	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.057	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-94.7	120.8	175.5	-69	-92.1	0	0	0	109	H62 Q64 R78 G120 R123 K127 G140 T141 P173	H62-F125 HydrophobicContact CB-CE1 4.03Å; Q64-F125 HydrophobicContact CG-CB 4.12Å; Q64-F125 HydrophobicContact CG-CD1 4.04Å; R78-F125 HydrophobicContact CB-CD1 3.86Å; R78-F125 HydrophobicContact CB-CE1 3.7Å; R78-F125 HydrophobicContact CB-CZ 4.38Å; R78-F125 HydrophobicContact CG-CD1 4.32Å; R78-F125 HydrophobicContact CG-CE1 3.9Å; R78-F125 HydrophobicContact CG-CZ 4.07Å; G120-F125 WeakPolarHBondContact O-CZ 3.45Å; R123-F125 HydrophobicContact CB-CD2 4.31Å; R123-F125 HydrophobicContact CB-CE2 3.81Å; R123-F125 HydrophobicContact CB-CZ 4.41Å; R123-F125 PolarHBondContact O-N 3.03Å; F125-K127 PolarHBondContact O-N 3.26Å; F125-G140 CarbonylContact O-C 3.51Å; F125-G140 WeakPolarHBondContact O-CA 3.4Å; F125-T141 HydrophobicContact CB-CG2 3.98Å; F125-T141 PolarHBondContact N-OG1 2.94Å; F125-T141 PolarHBondContact O-N 2.8Å; F125-P173 HydrophobicContact CB-CB 3.79Å; F125-P173 HydrophobicContact CD1-CB 4.02Å; F125-P173 HydrophobicContact CD2-CB 3.73Å; F125-P173 HydrophobicContact CD2-CG 3.83Å; F125-P173 HydrophobicContact CE2-CB 4.28Å; F125-P173 HydrophobicContact CE2-CG 3.96Å; F125-P173 HydrophobicContact CG-CB 3.58Å; F125-P173 HydrophobicContact CG-CG 4.18Å; F125-P173 HydrophobicContact CZ-CG 4.42Å
126	I	98.3	Very high	93.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.2	-178.6	-55.3	-54.7	0	0	0	109.7	Q64 T65 A77 W102 V138 C139	Q64-I126 WeakPolarHBondContact CB-O 3.31Å; T65-I126 HydrophobicContact CG2-CG2 4.26Å; T65-I126 WeakPolarHBondContact CG2-O 3.36Å; A77-I126 PolarHBondContact O-N 2.98Å; W102-I126 HydrophobicContact CE3-CD1 3.55Å; W102-I126 HydrophobicContact CZ3-CD1 3.89Å; I126-V138 HydrophobicContact CD1-CG1 4.32Å; I126-V138 HydrophobicContact CG2-CG1 3.55Å; I126-C139 CarbonylContact C-O 3.58Å
127	K	97.8	Very high	93.7	Very high	30 Å²	30	45.6 Å²	45.6	13%	0.13	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-18.3	-171.8	-68.8	-68.4	-61.9	-168.5	0	114	Q64 F125 C139 T141 P170 P173 H175 N177	Q64-K127 HydrophobicContact CB-CD 4.25Å; Q64-K127 HydrophobicContact CG-CD 4.31Å; Q64-K127 VanDerWaalsContact OE1-CD 3.28Å; F125-K127 PolarHBondContact O-N 3.26Å; K127-C139 PolarHBondContact N-O 3.43Å; K127-T141 HydrophobicContact CG-CG2 3.85Å; K127-P170 HydrophobicContact CB-CG 4.12Å; K127-P170 HydrophobicContact CG-CG 4.05Å; K127-P173 WeakPolarHBondContact CE-O 3.45Å; K127-P173 PolarHBondContact NZ-O 2.83Å; K127-H175 WeakPolarHBondContact CE-O 3.44Å; K127-H175 PolarHBondContact NZ-O 2.69Å; K127-N177 WeakPolarHBondContact CE-OD1 3.27Å; K127-N177 PolarHBondContact O-ND2 3.42Å
128	V	98.1	Very high	93.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.6	171.3	-179.6	0	0	0	0	108.2	L130 F137 V138 C139 R168 C169 A179	V128-L130 HydrophobicContact CG1-CD1 4.07Å; V128-L130 HydrophobicContact CG1-CG 3.99Å; V128-F137 HydrophobicContact CG1-CD1 4.18Å; V128-F137 HydrophobicContact CG1-CE1 4.36Å; V128-V138 WeakPolarHBondContact O-CA 3.3Å; V128-C139 HydrophobicContact CB-CB 3.75Å; V128-C139 HydrophobicContact CG2-CB 4.01Å; V128-C139 PolarHBondContact N-O 2.94Å; V128-C139 VanDerWaalsContact N-O 3.07Å; V128-C139 PolarHBondContact O-N 2.83Å; V128-R168 WeakPolarHBondContact CG2-O 3.23Å; V128-C169 HydrophobicContact CG2-CB 4.4Å; V128-A179 HydrophobicContact CG1-CB 3.69Å; V128-A179 HydrophobicContact CG2-CB 4.08Å
129	L	97.4	Very high	94.1	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	100.7	179.1	177	58.4	0	0	0	107.7	T65 L67 Y74 L81 L136 V138	T65-L129 HydrophobicContact CG2-CB 3.68Å; T65-L129 HydrophobicContact CG2-CD2 4.1Å; L67-L129 HydrophobicContact CB-CD2 3.87Å; L67-L129 HydrophobicContact CB-CG 3.84Å; L67-L129 HydrophobicContact CD2-CD1 4.46Å; L67-L129 HydrophobicContact CD2-CG 4.02Å; Y74-L129 WeakPolarHBondContact O-CD2 3.25Å; L81-L129 HydrophobicContact CD1-CD1 4.03Å; L81-L129 HydrophobicContact CD1-CD2 4.21Å; L129-L136 HydrophobicContact CD1-CD1 4.49Å; L129-V138 HydrophobicContact CD1-CG2 3.88Å
130	L	96.7	Very high	94.5	Very high	35 Å²	35	31.6 Å²	31.6	18%	0.183	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.8	-175.5	-61.3	176.5	0	0	0	110.3	V128 L136 F137 A179 F181 L186	V128-L130 HydrophobicContact CG1-CD1 4.07Å; V128-L130 HydrophobicContact CG1-CG 3.99Å; L130-L136 CarbonylContact O-C 3.51Å; L130-L136 VanDerWaalsContact O-CA 3.3Å; L130-L136 WeakPolarHBondContact O-CA 3.32Å; L130-F137 HydrophobicContact CB-CB 4.49Å; L130-F137 PolarHBondContact N-O 3.11Å; L130-F137 PolarHBondContact O-N 2.92Å; L130-A179 HydrophobicContact CD1-CB 3.86Å; L130-F181 HydrophobicContact CB-CD2 4.22Å; L130-F181 HydrophobicContact CB-CE2 4.39Å; L130-F181 HydrophobicContact CD1-CD2 3.62Å; L130-F181 HydrophobicContact CD1-CE2 3.79Å; L130-L186 HydrophobicContact CD1-CD1 4.05Å
131	S	94.8	Very high	94.9	Very high	51 Å²	51	29.7 Å²	29.7	36%	0.357	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.1	172.1	-176.6	0	0	0	0	110.3	R153	S131-R153 PolarHBondContact OG-NH2 3.21Å
132	Q	89.1	Confident	95.1	Very high	52 Å²	52	28.5 Å²	28.5	24%	0.243	14%	0.143	C	C	.	.			trans	-116.4	-179.7	169.3	-68.5	-177	-28.7	0	0	109.4	G135 F137 R153 F181	Q132-G135 PolarHBondContact N-O 2.97Å; Q132-F137 HydrophobicContact CG-CB 4.31Å; Q132-R153 PolarHBondContact O-NH2 2.78Å; Q132-F181 HydrophobicContact CG-CD2 4.29Å; Q132-F181 HydrophobicContact CG-CE2 4.3Å; Q132-F181 VanDerWaalsContact NE2-CE1 3.31Å; Q132-F181 VanDerWaalsContact NE2-CE2 3.29Å
133	H	81.4	Confident	95.2	Very high	178 Å²	178	28.6 Å²	28.6	82%	0.824	14%	0.143	S	C	*	.	S	Bend	trans	-62.1	-55.4	173.1	-64.9	-73.3	0	0	0	110.6	G135 R153	H133-G135 VanDerWaalsContact C-N 3.28Å; H133-G135 PolarHBondContact O-N 2.85Å; H133-R153 PolarHBondContact O-NH1 3.33Å
134	D	78.8	Confident	95.2	Very high	157 Å²	157	25.9 Å²	25.9	84%	0.84	13%	0.133	S	C	*	.	S	Bend	trans	-77.8	-4.3	-172.5	-49.2	-58.4	0	0	0	115
135	G	92.8	Very high	95.2	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	160.8	-134.7	179.3	0	0	0	0	0	114.5	Q132 H133 Y151 R153	Q132-G135 PolarHBondContact N-O 2.97Å; H133-G135 VanDerWaalsContact C-N 3.28Å; H133-G135 PolarHBondContact O-N 2.85Å; G135-Y151 CarbonylContact C-O 3.49Å; G135-Y151 WeakPolarHBondContact CA-O 3.21Å; G135-R153 PolarHBondContact O-NH2 2.83Å
136	L	96.4	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	-179.3	-57.4	173.3	0	0	0	109.7	L67 Y74 L129 L130 V138 N150 Y151 L156	L67-L136 HydrophobicContact CD2-CD2 4.2Å; Y74-L136 HydrophobicContact CD1-CD1 3.56Å; Y74-L136 HydrophobicContact CE1-CD1 3.74Å; Y74-L136 HydrophobicContact CG-CD1 4.04Å; L129-L136 HydrophobicContact CD1-CD1 4.49Å; L130-L136 CarbonylContact O-C 3.51Å; L130-L136 VanDerWaalsContact O-CA 3.3Å; L130-L136 WeakPolarHBondContact O-CA 3.32Å; L136-V138 HydrophobicContact CB-CG2 3.99Å; L136-N150 CarbonylContact O-C 3.44Å; L136-N150 WeakPolarHBondContact O-CA 3.36Å; L136-Y151 PolarHBondContact N-O 2.68Å; L136-Y151 PolarHBondContact O-N 2.82Å; L136-L156 HydrophobicContact CD1-CD2 4.09Å
137	F	96.9	Very high	95.1	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.3	167.8	-177.8	-93.5	0	0	0	108.8	V128 L130 Q132 C139 C148 N150 F181 L186 L205	V128-F137 HydrophobicContact CG1-CD1 4.18Å; V128-F137 HydrophobicContact CG1-CE1 4.36Å; L130-F137 HydrophobicContact CB-CB 4.49Å; L130-F137 PolarHBondContact N-O 3.11Å; L130-F137 PolarHBondContact O-N 2.92Å; Q132-F137 HydrophobicContact CG-CB 4.31Å; F137-C139 WeakPolarHBondContact CE1-SG 3.46Å; F137-C148 HydrophobicContact CE1-CB 4.26Å; F137-C148 HydrophobicContact CE2-CB 4.15Å; F137-C148 HydrophobicContact CZ-CB 3.64Å; F137-N150 WeakPolarHBondContact CD2-OD1 3.31Å; F137-F181 HydrophobicContact CB-CE2 3.72Å; F137-F181 HydrophobicContact CB-CZ 4.2Å; F137-F181 AromaticContact CD1-CE2 3.7Å; F137-F181 HydrophobicContact CD1-CE2 3.7Å; F137-F181 AromaticContact CD1-CZ 3.98Å; F137-F181 HydrophobicContact CD1-CZ 3.98Å; F137-F181 HydrophobicContact CD2-CE2 4.27Å; F137-F181 AromaticContact CD2-CZ 3.94Å; F137-F181 HydrophobicContact CD2-CZ 3.94Å; F137-F181 HydrophobicContact CE1-CE2 4.38Å; F137-F181 HydrophobicContact CE1-CZ 4.33Å; F137-F181 HydrophobicContact CE2-CZ 4.32Å; F137-F181 AromaticContact CG-CE2 3.63Å; F137-F181 HydrophobicContact CG-CE2 3.63Å; F137-F181 AromaticContact CG-CZ 3.77Å; F137-F181 HydrophobicContact CG-CZ 3.77Å; F137-F181 HydrophobicContact CZ-CZ 4.5Å; F137-L186 HydrophobicContact CE1-CD1 4.4Å; F137-L186 HydrophobicContact CE1-CD2 3.54Å; F137-L186 HydrophobicContact CZ-CD2 3.63Å; F137-L205 HydrophobicContact CD2-CD1 4.48Å; F137-L205 HydrophobicContact CE2-CD1 3.65Å; F137-L205 HydrophobicContact CZ-CD1 3.88Å
138	V	98	Very high	95.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.4	-170	-168.4	0	0	0	0	110	L81 W102 I126 V128 L129 L136 C148 A149 Y151	L81-V138 HydrophobicContact CD2-CG2 4.22Å; W102-V138 HydrophobicContact CZ3-CB 4.48Å; W102-V138 HydrophobicContact CZ3-CG1 4.12Å; I126-V138 HydrophobicContact CD1-CG1 4.32Å; I126-V138 HydrophobicContact CG2-CG1 3.55Å; V128-V138 WeakPolarHBondContact O-CA 3.3Å; L129-V138 HydrophobicContact CD1-CG2 3.88Å; L136-V138 HydrophobicContact CB-CG2 3.99Å; V138-C148 CarbonylContact O-C 3.49Å; V138-C148 VanDerWaalsContact O-CA 3.26Å; V138-C148 WeakPolarHBondContact O-CA 3.39Å; V138-A149 PolarHBondContact N-O 3.14Å; V138-A149 PolarHBondContact O-N 3.25Å; V138-Y151 HydrophobicContact CB-CD2 3.79Å; V138-Y151 HydrophobicContact CB-CE2 4.09Å; V138-Y151 HydrophobicContact CG2-CD2 3.59Å; V138-Y151 HydrophobicContact CG2-CE2 4.33Å; V138-Y151 HydrophobicContact CG2-CG 4.3Å
139	C	98.3	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.2	170.6	-44	0	0	0	0	111.8	I126 K127 V128 F137 L147 C148 C169	I126-C139 CarbonylContact C-O 3.58Å; K127-C139 PolarHBondContact N-O 3.43Å; V128-C139 HydrophobicContact CB-CB 3.75Å; V128-C139 HydrophobicContact CG2-CB 4.01Å; V128-C139 PolarHBondContact N-O 2.94Å; V128-C139 VanDerWaalsContact N-O 3.07Å; V128-C139 PolarHBondContact O-N 2.83Å; F137-C139 WeakPolarHBondContact CE1-SG 3.46Å; C139-L147 CarbonylContact C-O 3.51Å; C139-L147 WeakPolarHBondContact CA-O 3.27Å; C139-L147 VanDerWaalsContact CB-O 3.29Å; C139-L147 WeakPolarHBondContact CB-O 3.19Å; C139-C148 HydrophobicContact CB-CB 3.95Å; C139-C148 WeakPolarHBondContact CB-SG 3.41Å; C139-C148 WeakPolarHBondContact SG-CB 3.4Å; C139-C148 CovalentContact SG-SG 2.03Å; C139-C148 PolarHBondContact SG-SG 3.25Å; C139-C169 HydrophobicContact CB-CB 3.56Å
140	G	98.2	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.5	173.1	0	0	0	0	0	113.6	N124 F125 N142 P146 L147	N124-G140 VanDerWaalsContact OD1-CA 3.24Å; N124-G140 WeakPolarHBondContact OD1-CA 3.43Å; F125-G140 CarbonylContact O-C 3.51Å; F125-G140 WeakPolarHBondContact O-CA 3.4Å; G140-N142 PolarHBondContact O-N 3.28Å; G140-N142 VanDerWaalsContact O-N 3.17Å; G140-P146 VanDerWaalsContact O-CA 3.31Å; G140-P146 WeakPolarHBondContact O-CA 3.44Å; G140-L147 PolarHBondContact N-O 3.04Å; G140-L147 PolarHBondContact O-N 2.88Å; G140-L147 VanDerWaalsContact O-N 3.09Å
141	T	97.9	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.			trans	-61.3	-22.3	-176.3	59.5	0	0	0	0	113.7	R123 N124 F125 K127 A143 F144 N145 P173	R123-T141 PolarHBondContact O-OG1 3.38Å; N124-T141 PolarHBondContact OD1-N 3.19Å; F125-T141 HydrophobicContact CB-CG2 3.98Å; F125-T141 PolarHBondContact N-OG1 2.94Å; F125-T141 PolarHBondContact O-N 2.8Å; K127-T141 HydrophobicContact CG-CG2 3.85Å; T141-A143 PolarHBondContact O-N 3.38Å; T141-F144 PolarHBondContact O-N 2.65Å; T141-N145 CarbonylContact O-C 3.59Å; T141-N145 PolarHBondContact O-N 3.45Å; T141-P173 HydrophobicContact CG2-CB 4.3Å
142	N	97.9	Very high	95	Very high	3 Å²	3	30 Å²	30	2%	0.016	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	34.1	62.3	-175.6	176.1	53.6	0	0	0	113.2	S104 D108 N124 G140 F144 N145 L147	S104-N142 VanDerWaalsContact CA-OD1 3.27Å; S104-N142 WeakPolarHBondContact CA-OD1 3.06Å; S104-N142 VanDerWaalsContact CB-OD1 3.24Å; S104-N142 WeakPolarHBondContact CB-OD1 3.25Å; S104-N142 VanDerWaalsContact OG-CA 3.25Å; S104-N142 WeakPolarHBondContact OG-CA 3.42Å; S104-N142 PolarHBondContact OG-OD1 2.99Å; D108-N142 PolarHBondContact OD2-ND2 2.95Å; N124-N142 WeakPolarHBondContact OD1-CA 3.28Å; N124-N142 PolarHBondContact OD1-N 2.69Å; G140-N142 PolarHBondContact O-N 3.28Å; G140-N142 VanDerWaalsContact O-N 3.17Å; N142-F144 PolarHBondContact O-N 3.44Å; N142-N145 WeakPolarHBondContact CB-O 3.5Å; N142-N145 PolarHBondContact ND2-O 3.32Å; N142-N145 WeakPolarHBondContact O-CB 3.39Å; N142-N145 PolarHBondContact O-N 2.73Å; N142-L147 HydrophobicContact CB-CD1 4.36Å; N142-L147 HydrophobicContact CB-CG 4.27Å; N142-L147 WeakPolarHBondContact ND2-CD1 3.4Å
143	A	97.5	Very high	95.2	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	51.1	-179.5	0	0	0	0	0	113.6	S104 D108 I109 C112 C122 R123 T141 N145	S104-A143 PolarHBondContact OG-N 2.66Å; D108-A143 HydrophobicContact CB-CB 4.37Å; I109-A143 HydrophobicContact CG1-CB 4.24Å; C112-A143 HydrophobicContact CB-CB 4.08Å; C112-A143 VanDerWaalsContact CB-O 3.28Å; C112-A143 WeakPolarHBondContact CB-O 3.36Å; C122-A143 HydrophobicContact CB-CB 4.32Å; R123-A143 PolarHBondContact O-N 3.28Å; T141-A143 PolarHBondContact O-N 3.38Å; A143-N145 VanDerWaalsContact C-N 3.3Å; A143-N145 PolarHBondContact O-N 3.46Å
144	F	97.1	Very high	95.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	37.7	-176.9	-62.6	-109.5	0	0	0	113.3	C112 K117 E121 T141 N142 Y171 D172 F194	C112-F144 VanDerWaalsContact SG-CD2 3.52Å; K117-F144 HydrophobicContact CB-CE2 4.35Å; K117-F144 HydrophobicContact CD-CD1 4.45Å; K117-F144 HydrophobicContact CD-CE1 3.78Å; K117-F144 HydrophobicContact CD-CE2 3.96Å; K117-F144 HydrophobicContact CD-CZ 3.5Å; K117-F144 HydrophobicContact CG-CD1 4.4Å; K117-F144 HydrophobicContact CG-CD2 4.26Å; K117-F144 HydrophobicContact CG-CE1 4.2Å; K117-F144 HydrophobicContact CG-CE2 4.03Å; K117-F144 HydrophobicContact CG-CG 4.46Å; K117-F144 HydrophobicContact CG-CZ 4.02Å; E121-F144 HydrophobicContact CB-CE2 3.87Å; E121-F144 HydrophobicContact CB-CZ 4.33Å; T141-F144 PolarHBondContact O-N 2.65Å; N142-F144 PolarHBondContact O-N 3.44Å; F144-Y171 HydrophobicContact CB-CD1 4.3Å; F144-Y171 WeakPolarHBondContact CD1-O 3.26Å; F144-Y171 WeakPolarHBondContact CG-O 3.38Å; F144-Y171 VanDerWaalsContact O-CD1 3.3Å; F144-Y171 WeakPolarHBondContact O-CD1 3.42Å; F144-D172 HydrophobicContact CE1-CB 3.62Å; F144-D172 VanDerWaalsContact CE1-OD2 3.32Å; F144-D172 WeakPolarHBondContact CE1-OD2 3.34Å; F144-D172 HydrophobicContact CZ-CB 3.94Å; F144-D172 WeakPolarHBondContact CZ-OD2 3.23Å; F144-F194 HydrophobicContact CB-CD2 3.74Å; F144-F194 HydrophobicContact CB-CE2 3.55Å; F144-F194 AromaticContact CD1-CD2 3.94Å; F144-F194 HydrophobicContact CD1-CD2 3.94Å; F144-F194 AromaticContact CD1-CE2 3.63Å; F144-F194 HydrophobicContact CD1-CE2 3.63Å; F144-F194 HydrophobicContact CD1-CZ 4.43Å; F144-F194 HydrophobicContact CG-CD2 4.23Å; F144-F194 AromaticContact CG-CE2 3.78Å; F144-F194 HydrophobicContact CG-CE2 3.78Å
145	N	97.3	Very high	96.2	Very high	68 Å²	68	21.9 Å²	21.9	36%	0.364	12%	0.116	S	C	.	.	S	Bend	trans	-144.7	66.9	170.3	-174	20.8	0	0	0	109.4	D108 T141 N142 A143	D108-N145 PolarHBondContact OD1-ND2 2.69Å; T141-N145 CarbonylContact O-C 3.59Å; T141-N145 PolarHBondContact O-N 3.45Å; N142-N145 WeakPolarHBondContact CB-O 3.5Å; N142-N145 PolarHBondContact ND2-O 3.32Å; N142-N145 WeakPolarHBondContact O-CB 3.39Å; N142-N145 PolarHBondContact O-N 2.73Å; A143-N145 VanDerWaalsContact C-N 3.3Å; A143-N145 PolarHBondContact O-N 3.46Å
146	P	97.8	Very high	96.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.013	12%	0.115	C	C	.	.			trans	-61.9	140.8	-160.5	23	-33.3	0	0	0	113.8	G140 G165 C169 Y171	G140-P146 VanDerWaalsContact O-CA 3.31Å; G140-P146 WeakPolarHBondContact O-CA 3.44Å; P146-G165 VanDerWaalsContact O-CA 3.28Å; P146-G165 WeakPolarHBondContact O-CA 3.34Å; P146-G165 PolarHBondContact O-N 2.76Å; P146-C169 HydrophobicContact CB-CB 4.05Å; P146-Y171 HydrophobicContact CG-CD1 4.27Å; P146-Y171 HydrophobicContact CG-CD2 3.96Å; P146-Y171 HydrophobicContact CG-CE1 4.06Å; P146-Y171 HydrophobicContact CG-CE2 3.72Å; P146-Y171 HydrophobicContact CG-CG 4.2Å
147	L	97.7	Very high	96.3	Very high	39 Å²	39	26.8 Å²	26.8	20%	0.204	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.7	-178.7	-65.8	178.5	0	0	0	110.8	W102 C139 G140 N142	W102-L147 HydrophobicContact CH2-CB 4.35Å; W102-L147 HydrophobicContact CZ2-CB 3.95Å; C139-L147 CarbonylContact C-O 3.51Å; C139-L147 WeakPolarHBondContact CA-O 3.27Å; C139-L147 VanDerWaalsContact CB-O 3.29Å; C139-L147 WeakPolarHBondContact CB-O 3.19Å; G140-L147 PolarHBondContact N-O 3.04Å; G140-L147 PolarHBondContact O-N 2.88Å; G140-L147 VanDerWaalsContact O-N 3.09Å; N142-L147 HydrophobicContact CB-CD1 4.36Å; N142-L147 HydrophobicContact CB-CG 4.27Å; N142-L147 WeakPolarHBondContact ND2-CD1 3.4Å
148	C	97.8	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.6	170.9	-60.6	0	0	0	0	110.3	F137 V138 C139 P162 V163	F137-C148 HydrophobicContact CE1-CB 4.26Å; F137-C148 HydrophobicContact CE2-CB 4.15Å; F137-C148 HydrophobicContact CZ-CB 3.64Å; V138-C148 CarbonylContact O-C 3.49Å; V138-C148 VanDerWaalsContact O-CA 3.26Å; V138-C148 WeakPolarHBondContact O-CA 3.39Å; C139-C148 HydrophobicContact CB-CB 3.95Å; C139-C148 WeakPolarHBondContact CB-SG 3.41Å; C139-C148 WeakPolarHBondContact SG-CB 3.4Å; C139-C148 CovalentContact SG-SG 2.03Å; C139-C148 PolarHBondContact SG-SG 3.25Å; C148-P162 CarbonylContact O-C 3.6Å; C148-P162 WeakPolarHBondContact O-CA 3.46Å; C148-V163 HydrophobicContact CB-CG2 3.91Å; C148-V163 PolarHBondContact N-O 2.83Å; C148-V163 PolarHBondContact O-N 2.9Å
149	A	96.4	Very high	95.9	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154	174.1	0	0	0	0	0	110.8	W102 V138 Y151 M158 P162	W102-A149 HydrophobicContact CH2-CB 4.28Å; W102-A149 HydrophobicContact CZ2-CB 4.39Å; V138-A149 PolarHBondContact N-O 3.14Å; V138-A149 PolarHBondContact O-N 3.25Å; A149-Y151 HydrophobicContact CB-CD2 4.44Å; A149-Y151 HydrophobicContact CB-CE2 3.96Å; A149-M158 HydrophobicContact CB-CE 3.83Å; A149-M158 HydrophobicContact CB-CG 4.05Å; A149-M158 HydrophobicContact CB-SD 4.13Å; A149-P162 HydrophobicContact CB-CB 4.28Å
150	N	96.1	Very high	95.5	Very high	69 Å²	69	34.7 Å²	34.7	37%	0.369	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	145.7	169.8	-65.6	-9.3	0	0	0	109.4	L136 F137 M158 A159	L136-N150 CarbonylContact O-C 3.44Å; L136-N150 WeakPolarHBondContact O-CA 3.36Å; F137-N150 WeakPolarHBondContact CD2-OD1 3.31Å; N150-M158 WeakPolarHBondContact O-CA 3.31Å; N150-A159 HydrophobicContact CB-CB 4.15Å; N150-A159 PolarHBondContact O-N 2.79Å
151	Y	96.4	Very high	95.2	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	176.8	-79	-88.7	0	0	0	111.2	R100 W102 G135 L136 V138 A149 E157 M158	R100-Y151 HydrophobicContact CG-CE1 3.86Å; W102-Y151 VanDerWaalsContact CD2-OH 3.27Å; W102-Y151 HydrophobicContact CE3-CE2 4.02Å; W102-Y151 HydrophobicContact CZ3-CE2 4.19Å; G135-Y151 CarbonylContact C-O 3.49Å; G135-Y151 WeakPolarHBondContact CA-O 3.21Å; L136-Y151 PolarHBondContact N-O 2.68Å; L136-Y151 PolarHBondContact O-N 2.82Å; V138-Y151 HydrophobicContact CB-CD2 3.79Å; V138-Y151 HydrophobicContact CB-CE2 4.09Å; V138-Y151 HydrophobicContact CG2-CD2 3.59Å; V138-Y151 HydrophobicContact CG2-CE2 4.33Å; V138-Y151 HydrophobicContact CG2-CG 4.3Å; A149-Y151 HydrophobicContact CB-CD2 4.44Å; A149-Y151 HydrophobicContact CB-CE2 3.96Å; Y151-E157 CarbonylContact C-O 3.57Å; Y151-E157 VanDerWaalsContact CA-O 3.27Å; Y151-E157 WeakPolarHBondContact CA-O 3.39Å; Y151-M158 HydrophobicContact CD1-CB 4.31Å; Y151-M158 HydrophobicContact CE1-CB 3.89Å; Y151-M158 HydrophobicContact CE1-CE 4.48Å; Y151-M158 HydrophobicContact CE2-CE 4.33Å; Y151-M158 WeakPolarHBondContact OH-CE 3.29Å
152	T	95.4	Very high	95	Very high	41 Å²	41	45.2 Å²	45.2	25%	0.252	25%	0.254	S	S	.	.			trans	-64.2	140.5	171.5	62.7	0	0	0	0	110.6	D154 T155 L156 E157	T152-D154 VanDerWaalsContact C-N 3.33Å; T152-D154 PolarHBondContact O-N 3.5Å; T152-T155 PolarHBondContact OG1-N 2.92Å; T152-T155 PolarHBondContact OG1-OG1 2.92Å; T152-L156 WeakPolarHBondContact O-CA 3.41Å; T152-L156 PolarHBondContact O-N 2.86Å; T152-L156 PolarHBondContact OG1-N 3Å; T152-L156 VanDerWaalsContact OG1-N 3.11Å; T152-E157 HydrophobicContact CG2-CB 4.43Å; T152-E157 PolarHBondContact N-O 2.8Å; T152-E157 PolarHBondContact OG1-N 3.37Å
153	R	92.7	Very high	94.9	Very high	64 Å²	64	48 Å²	48	24%	0.242	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-39.6	177.6	-177.1	175.7	-74.9	109.3	2.1	112.1	Y74 S131 Q132 H133 G135	Y74-R153 VanDerWaalsContact OH-CG 3.23Å; Y74-R153 WeakPolarHBondContact OH-CG 3.39Å; Y74-R153 PolarHBondContact OH-O 2.84Å; Y74-R153 VanDerWaalsContact OH-O 3.14Å; S131-R153 PolarHBondContact OG-NH2 3.21Å; Q132-R153 PolarHBondContact O-NH2 2.78Å; H133-R153 PolarHBondContact O-NH1 3.33Å; G135-R153 PolarHBondContact O-NH2 2.83Å
154	D	90	Very high	94.9	Very high	97 Å²	97	50.9 Å²	50.9	52%	0.519	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-26.7	-166.2	-55.1	-54.1	0	0	0	114.5	K98 T152	K98-D154 WeakPolarHBondContact CD-O 3.32Å; K98-D154 WeakPolarHBondContact CE-O 3.26Å; K98-D154 PolarHBondContact NZ-O 2.83Å; T152-D154 VanDerWaalsContact C-N 3.33Å; T152-D154 PolarHBondContact O-N 3.5Å
155	T	91.8	Very high	94.8	Very high	56 Å²	56	50.8 Å²	50.8	34%	0.344	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-15.4	176.5	53.5	0	0	0	0	114.3	T152 E157	T152-T155 PolarHBondContact OG1-N 2.92Å; T152-T155 PolarHBondContact OG1-OG1 2.92Å; T155-E157 WeakPolarHBondContact CB-OE2 3.4Å; T155-E157 PolarHBondContact O-N 2.66Å; T155-E157 PolarHBondContact OG1-OE2 3.15Å
156	L	95.4	Very high	94.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	30%	0.297	C	S	.	.			trans	54.6	37.8	-168.3	-55.3	-177.1	0	0	0	112.4	Y74 L81 R83 K98 R100 L136 T152	Y74-L156 HydrophobicContact CD1-CD2 4.04Å; Y74-L156 HydrophobicContact CE1-CD2 3.96Å; L81-L156 HydrophobicContact CD2-CD2 4.03Å; L81-L156 HydrophobicContact CG-CD1 4.35Å; L81-L156 HydrophobicContact CG-CD2 4.41Å; R83-L156 HydrophobicContact CB-CD1 3.87Å; R83-L156 HydrophobicContact CB-CD2 4.41Å; R83-L156 HydrophobicContact CB-CG 4.26Å; K98-L156 HydrophobicContact CB-CD1 4.26Å; R100-L156 HydrophobicContact CB-CB 3.68Å; R100-L156 HydrophobicContact CB-CD1 4.17Å; R100-L156 WeakPolarHBondContact CB-O 3.07Å; R100-L156 VanDerWaalsContact CD-O 3.28Å; R100-L156 WeakPolarHBondContact CD-O 3.43Å; R100-L156 HydrophobicContact CG-CB 4.48Å; R100-L156 WeakPolarHBondContact CG-O 3.45Å; L136-L156 HydrophobicContact CD1-CD2 4.09Å; T152-L156 WeakPolarHBondContact O-CA 3.41Å; T152-L156 PolarHBondContact O-N 2.86Å; T152-L156 PolarHBondContact OG1-N 3Å; T152-L156 VanDerWaalsContact OG1-N 3.11Å
157	E	95	Very high	94.8	Very high	106 Å²	106	52.6 Å²	52.6	50%	0.495	30%	0.299	S	S	.	.			trans	-95	141.6	175.4	-71.3	168.7	141.1	0	0	109.8	Y151 T152 T155	Y151-E157 CarbonylContact C-O 3.57Å; Y151-E157 VanDerWaalsContact CA-O 3.27Å; Y151-E157 WeakPolarHBondContact CA-O 3.39Å; T152-E157 HydrophobicContact CG2-CB 4.43Å; T152-E157 PolarHBondContact N-O 2.8Å; T152-E157 PolarHBondContact OG1-N 3.37Å; T155-E157 WeakPolarHBondContact CB-OE2 3.4Å; T155-E157 PolarHBondContact O-N 2.66Å; T155-E157 PolarHBondContact OG1-OE2 3.15Å
158	M	94.4	Very high	94.8	Very high	62 Å²	62	52.1 Å²	52.1	31%	0.305	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.4	-178.9	-174.2	178.9	-73.6	0	0	109.5	A149 N150 Y151	A149-M158 HydrophobicContact CB-CE 3.83Å; A149-M158 HydrophobicContact CB-CG 4.05Å; A149-M158 HydrophobicContact CB-SD 4.13Å; N150-M158 WeakPolarHBondContact O-CA 3.31Å; Y151-M158 HydrophobicContact CD1-CB 4.31Å; Y151-M158 HydrophobicContact CE1-CB 3.89Å; Y151-M158 HydrophobicContact CE1-CE 4.48Å; Y151-M158 HydrophobicContact CE2-CE 4.33Å; Y151-M158 WeakPolarHBondContact OH-CE 3.29Å
159	A	92.9	Very high	94.8	Very high	50 Å²	50	52.1 Å²	52.1	41%	0.413	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.8	-178.2	0	0	0	0	0	110.1	N150	N150-A159 HydrophobicContact CB-CB 4.15Å; N150-A159 PolarHBondContact O-N 2.79Å
160	G	89.8	Confident	94.9	Very high	59 Å²	59	52 Å²	52	61%	0.608	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.8	-175	-174.1	0	0	0	0	0	113.6
161	E	91.3	Very high	94.9	Very high	169 Å²	169	50.1 Å²	50.1	79%	0.79	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	147	-176.9	-68.5	-60.1	135.1	0	0	112.8
162	P	94.3	Very high	94.9	Very high	51 Å²	51	50 Å²	50	33%	0.331	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.4	175.1	29.3	-34.2	0	0	0	111.4	C148 A149	C148-P162 CarbonylContact O-C 3.6Å; C148-P162 WeakPolarHBondContact O-CA 3.46Å; A149-P162 HydrophobicContact CB-CB 4.28Å
163	V	95.5	Very high	94.8	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	160.2	176.3	-59.4	0	0	0	0	111.1	C148 G165	C148-V163 HydrophobicContact CB-CG2 3.91Å; C148-V163 PolarHBondContact N-O 2.83Å; C148-V163 PolarHBondContact O-N 2.9Å; V163-G165 PolarHBondContact O-N 3.2Å
164	S	96.8	Very high	94.8	Very high	63 Å²	63	53.1 Å²	53.1	44%	0.441	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133.5	176.1	-173.9	0	0	0	0	111.7	M166 R168	S164-M166 WeakPolarHBondContact OG-CB 3.37Å; S164-M166 PolarHBondContact OG-N 2.68Å; S164-R168 PolarHBondContact O-NH1 2.83Å
165	G	96.9	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.			trans	-92.2	2.4	172.5	0	0	0	0	0	113.8	P146 V163 A167 R168 C169	P146-G165 VanDerWaalsContact O-CA 3.28Å; P146-G165 WeakPolarHBondContact O-CA 3.34Å; P146-G165 PolarHBondContact O-N 2.76Å; V163-G165 PolarHBondContact O-N 3.2Å; G165-A167 PolarHBondContact O-N 3.09Å; G165-R168 WeakPolarHBondContact O-CA 3.26Å; G165-R168 WeakPolarHBondContact O-CB 3.38Å; G165-R168 PolarHBondContact O-N 3.31Å; G165-C169 PolarHBondContact O-N 3.12Å
166	M	97.5	Very high	95.1	Very high	101 Å²	101	50.1 Å²	50.1	50%	0.498	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	133.1	173.9	-177.2	179.7	65	0	0	110.4	S164 R168	S164-M166 WeakPolarHBondContact OG-CB 3.37Å; S164-M166 PolarHBondContact OG-N 2.68Å; M166-R168 PolarHBondContact O-N 3.06Å
167	A	96.6	Very high	95.2	Very high	7 Å²	7	51.6 Å²	51.6	6%	0.058	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	3.2	-173.9	0	0	0	0	0	116.1	G165 T188 T190 T192 V200 Y202	G165-A167 PolarHBondContact O-N 3.09Å; A167-T188 PolarHBondContact O-OG1 3.47Å; A167-T190 VanDerWaalsContact C-CG2 3.48Å; A167-T190 WeakPolarHBondContact O-CG2 3.46Å; A167-T192 HydrophobicContact CB-CG2 3.88Å; A167-V200 HydrophobicContact CB-CG1 4.03Å; A167-Y202 HydrophobicContact CB-CD1 3.5Å; A167-Y202 HydrophobicContact CB-CE1 3.87Å; A167-Y202 HydrophobicContact CB-CG 3.88Å
168	R	97.6	Very high	95.3	Very high	30 Å²	30	47 Å²	47	11%	0.113	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-32.3	177	-61.6	170.4	174.6	155.1	-6.9	112.9	V128 S164 G165 M166 L186 T188 S204 L205	V128-R168 WeakPolarHBondContact CG2-O 3.23Å; S164-R168 PolarHBondContact O-NH1 2.83Å; G165-R168 WeakPolarHBondContact O-CA 3.26Å; G165-R168 WeakPolarHBondContact O-CB 3.38Å; G165-R168 PolarHBondContact O-N 3.31Å; M166-R168 PolarHBondContact O-N 3.06Å; R168-L186 HydrophobicContact CB-CD2 4.26Å; R168-L186 HydrophobicContact CG-CD2 3.91Å; R168-T188 HydrophobicContact CB-CG2 4.39Å; R168-S204 PolarHBondContact NE-OG 2.95Å; R168-S204 PolarHBondContact NH2-OG 2.89Å; R168-L205 VanDerWaalsContact NH2-CD2 3.29Å
169	C	97.7	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-138.5	139.9	-176.1	178.5	0	0	0	0	109	V128 C139 P146 G165	V128-C169 HydrophobicContact CG2-CB 4.4Å; C139-C169 HydrophobicContact CB-CB 3.56Å; P146-C169 HydrophobicContact CB-CB 4.05Å; G165-C169 PolarHBondContact O-N 3.12Å
170	P	97.6	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.			trans	-70	160.1	-179	28.1	-34.3	0	0	0	112.1	K127 H175 N177	K127-P170 HydrophobicContact CB-CG 4.12Å; K127-P170 HydrophobicContact CG-CG 4.05Å; P170-H175 HydrophobicContact CB-CB 3.94Å; P170-N177 HydrophobicContact CG-CB 4.08Å; P170-N177 WeakPolarHBondContact CG-OD1 3.41Å
171	Y	97.1	Very high	96	Very high	29 Å²	29	44 Å²	44	11%	0.114	23%	0.226	C	C	.	.	S	Bend	trans	-80.4	-42.5	173.7	-75.1	-104.6	0	0	0	112.3	F144 P146 T192 F194	F144-Y171 HydrophobicContact CB-CD1 4.3Å; F144-Y171 WeakPolarHBondContact CD1-O 3.26Å; F144-Y171 WeakPolarHBondContact CG-O 3.38Å; F144-Y171 VanDerWaalsContact O-CD1 3.3Å; F144-Y171 WeakPolarHBondContact O-CD1 3.42Å; P146-Y171 HydrophobicContact CG-CD1 4.27Å; P146-Y171 HydrophobicContact CG-CD2 3.96Å; P146-Y171 HydrophobicContact CG-CE1 4.06Å; P146-Y171 HydrophobicContact CG-CE2 3.72Å; P146-Y171 HydrophobicContact CG-CG 4.2Å; Y171-T192 WeakPolarHBondContact CE2-O 3.43Å; Y171-T192 PolarHBondContact OH-O 2.85Å; Y171-F194 HydrophobicContact CD1-CB 4.34Å; Y171-F194 HydrophobicContact CD1-CD2 4.4Å
172	D	96.3	Very high	96.1	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	-96.2	131.5	179.4	-160.6	-71.3	0	0	0	110.4	K117 F144 R174 H175	K117-D172 IonicContact NZ-OD2 2.68Å; K117-D172 PolarHBondContact NZ-OD2 3.26Å; F144-D172 HydrophobicContact CE1-CB 3.62Å; F144-D172 VanDerWaalsContact CE1-OD2 3.32Å; F144-D172 WeakPolarHBondContact CE1-OD2 3.34Å; F144-D172 HydrophobicContact CZ-CB 3.94Å; F144-D172 WeakPolarHBondContact CZ-OD2 3.23Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 PolarHBondContact O-N 2.87Å; D172-R174 WeakPolarHBondContact OD1-CB 3.43Å; D172-R174 IonicContact OD1-CZ 3.63Å; D172-R174 PolarHBondContact OD1-N 2.86Å; D172-R174 VanDerWaalsContact OD1-N 3.1Å; D172-R174 IonicContact OD1-NE 2.78Å; D172-R174 PolarHBondContact OD1-NE 2.93Å; D172-R174 IonicContact OD1-NH2 2.68Å; D172-R174 PolarHBondContact OD1-NH2 2.91Å; D172-R174 IonicContact OD2-CZ 3.65Å; D172-R174 IonicContact OD2-NE 3.87Å; D172-R174 IonicContact OD2-NH2 3.47Å; D172-R174 PolarHBondContact OD2-NH2 3.23Å; D172-H175 PolarHBondContact O-N 3.22Å; D172-H175 VanDerWaalsContact O-N 3.14Å
173	P	94.2	Very high	96	Very high	14 Å²	14	39 Å²	39	9%	0.091	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	-178.4	26.1	-35.3	0	0	0	113.6	Q64 F125 K127 T141 H175	Q64-P173 PolarHBondContact OE1-O 2.7Å; F125-P173 HydrophobicContact CB-CB 3.79Å; F125-P173 HydrophobicContact CD1-CB 4.02Å; F125-P173 HydrophobicContact CD2-CB 3.73Å; F125-P173 HydrophobicContact CD2-CG 3.83Å; F125-P173 HydrophobicContact CE2-CB 4.28Å; F125-P173 HydrophobicContact CE2-CG 3.96Å; F125-P173 HydrophobicContact CG-CB 3.58Å; F125-P173 HydrophobicContact CG-CG 4.18Å; F125-P173 HydrophobicContact CZ-CG 4.42Å; K127-P173 WeakPolarHBondContact CE-O 3.45Å; K127-P173 PolarHBondContact NZ-O 2.83Å; T141-P173 HydrophobicContact CG2-CB 4.3Å; P173-H175 VanDerWaalsContact C-N 3.32Å
174	R	93	Very high	95.8	Very high	155 Å²	155	38.6 Å²	38.6	59%	0.585	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.8	177.9	-64.3	167.7	-68.9	-139.5	-9.3	113.4	E121 D172	E121-R174 IonicContact OE1-CZ 2.68Å; E121-R174 IonicContact OE1-NH1 2.7Å; E121-R174 PolarHBondContact OE1-NH1 2.91Å; E121-R174 IonicContact OE1-NH2 2.72Å; E121-R174 PolarHBondContact OE1-NH2 3.48Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 PolarHBondContact O-N 2.87Å; D172-R174 WeakPolarHBondContact OD1-CB 3.43Å; D172-R174 IonicContact OD1-CZ 3.63Å; D172-R174 PolarHBondContact OD1-N 2.86Å; D172-R174 VanDerWaalsContact OD1-N 3.1Å; D172-R174 IonicContact OD1-NE 2.78Å; D172-R174 PolarHBondContact OD1-NE 2.93Å; D172-R174 IonicContact OD1-NH2 2.68Å; D172-R174 PolarHBondContact OD1-NH2 2.91Å; D172-R174 IonicContact OD2-CZ 3.65Å; D172-R174 IonicContact OD2-NE 3.87Å; D172-R174 IonicContact OD2-NH2 3.47Å; D172-R174 PolarHBondContact OD2-NH2 3.23Å
175	H	94.8	Very high	95.7	Very high	66 Å²	66	35.7 Å²	35.7	31%	0.306	19%	0.19	S	C	.	.	S	Bend	trans	-72.3	142.4	-179.4	-64.7	175.6	0	0	0	110.1	K127 P170 D172 P173 A196	K127-H175 WeakPolarHBondContact CE-O 3.44Å; K127-H175 PolarHBondContact NZ-O 2.69Å; P170-H175 HydrophobicContact CB-CB 3.94Å; D172-H175 PolarHBondContact O-N 3.22Å; D172-H175 VanDerWaalsContact O-N 3.14Å; P173-H175 VanDerWaalsContact C-N 3.32Å; H175-A196 WeakPolarHBondContact CE1-CB 3.18Å
176	A	93.3	Very high	95.7	Very high	24 Å²	24	35.7 Å²	35.7	20%	0.198	19%	0.19	C	C	.	.			trans	-76.9	153.3	170	0	0	0	0	0	110.4	Y225 F226	A176-Y225 HydrophobicContact CB-CD1 3.96Å; A176-Y225 HydrophobicContact CB-CD2 4.25Å; A176-Y225 HydrophobicContact CB-CE1 3.49Å; A176-Y225 VanDerWaalsContact CB-CE1 3.49Å; A176-Y225 HydrophobicContact CB-CE2 3.81Å; A176-Y225 HydrophobicContact CB-CG 4.33Å; A176-Y225 VanDerWaalsContact CB-CZ 3.42Å; A176-F226 WeakPolarHBondContact CB-O 3.3Å
177	N	96.8	Very high	95.8	Very high	32 Å²	32	31 Å²	31	17%	0.171	17%	0.167	C	C	.	.			trans	-151.2	149.8	176.7	60.1	-87.9	0	0	0	109.3	K127 P170 G189	K127-N177 WeakPolarHBondContact CE-OD1 3.27Å; K127-N177 PolarHBondContact O-ND2 3.42Å; P170-N177 HydrophobicContact CG-CB 4.08Å; P170-N177 WeakPolarHBondContact CG-OD1 3.41Å; N177-G189 VanDerWaalsContact CA-O 3.32Å; N177-G189 WeakPolarHBondContact CA-O 3.44Å
178	V	97.6	Very high	95.9	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.7	175.6	170.7	0	0	0	0	107.8	T188 G189 F226 V227 A229 F238	V178-T188 CarbonylContact O-C 3.6Å; V178-T188 VanDerWaalsContact O-CA 3.25Å; V178-T188 WeakPolarHBondContact O-CA 3.46Å; V178-G189 PolarHBondContact N-O 2.84Å; V178-G189 PolarHBondContact O-N 2.84Å; V178-F226 HydrophobicContact CB-CB 4.31Å; V178-F226 HydrophobicContact CG2-CB 3.68Å; V178-V227 VanDerWaalsContact CG2-C 3.5Å; V178-A229 HydrophobicContact CG1-CB 3.38Å; V178-F238 HydrophobicContact CG1-CD1 4.48Å
179	A	97.6	Very high	95.9	Very high	20 Å²	20	29.2 Å²	29.2	17%	0.165	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	133.9	178.1	0	0	0	0	0	109.5	V128 L130 L186 F187 T188	V128-A179 HydrophobicContact CG1-CB 3.69Å; V128-A179 HydrophobicContact CG2-CB 4.08Å; L130-A179 HydrophobicContact CD1-CB 3.86Å; A179-L186 HydrophobicContact CB-CD1 4.29Å; A179-F187 CarbonylContact C-O 3.48Å; A179-F187 WeakPolarHBondContact CA-O 3.27Å; A179-T188 HydrophobicContact CB-CG2 3.77Å
180	L	96.7	Very high	95.9	Very high	43 Å²	43	29.3 Å²	29.3	23%	0.225	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142	-178	178.9	65.8	0	0	0	109.1	F187 A229 I236	L180-F187 PolarHBondContact N-O 2.88Å; L180-F187 PolarHBondContact O-N 2.9Å; L180-A229 HydrophobicContact CD2-CB 4.46Å; L180-I236 HydrophobicContact CD2-CD1 4.35Å; L180-I236 HydrophobicContact CD2-CG2 4.05Å
181	F	95.9	Very high	95.9	Very high	45 Å²	45	30 Å²	30	20%	0.197	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.1	166.4	-84.2	-80.4	0	0	0	110.1	L130 Q132 F137 S185 L186 L205	L130-F181 HydrophobicContact CB-CD2 4.22Å; L130-F181 HydrophobicContact CB-CE2 4.39Å; L130-F181 HydrophobicContact CD1-CD2 3.62Å; L130-F181 HydrophobicContact CD1-CE2 3.79Å; Q132-F181 HydrophobicContact CG-CD2 4.29Å; Q132-F181 HydrophobicContact CG-CE2 4.3Å; Q132-F181 VanDerWaalsContact NE2-CE1 3.31Å; Q132-F181 VanDerWaalsContact NE2-CE2 3.29Å; F137-F181 HydrophobicContact CB-CE2 3.72Å; F137-F181 HydrophobicContact CB-CZ 4.2Å; F137-F181 AromaticContact CD1-CE2 3.7Å; F137-F181 HydrophobicContact CD1-CE2 3.7Å; F137-F181 AromaticContact CD1-CZ 3.98Å; F137-F181 HydrophobicContact CD1-CZ 3.98Å; F137-F181 HydrophobicContact CD2-CE2 4.27Å; F137-F181 AromaticContact CD2-CZ 3.94Å; F137-F181 HydrophobicContact CD2-CZ 3.94Å; F137-F181 HydrophobicContact CE1-CE2 4.38Å; F137-F181 HydrophobicContact CE1-CZ 4.33Å; F137-F181 HydrophobicContact CE2-CZ 4.32Å; F137-F181 AromaticContact CG-CE2 3.63Å; F137-F181 HydrophobicContact CG-CE2 3.63Å; F137-F181 AromaticContact CG-CZ 3.77Å; F137-F181 HydrophobicContact CG-CZ 3.77Å; F137-F181 HydrophobicContact CZ-CZ 4.5Å; F181-S185 WeakPolarHBondContact CA-O 3.23Å; F181-S185 WeakPolarHBondContact CD1-O 3.4Å; F181-L186 HydrophobicContact CD1-CB 4.2Å; F181-L186 HydrophobicContact CD2-CD1 4.24Å; F181-L186 HydrophobicContact CE1-CB 3.61Å; F181-L186 HydrophobicContact CE1-CD1 4.41Å; F181-L186 HydrophobicContact CE2-CD1 3.85Å; F181-L186 HydrophobicContact CZ-CB 3.78Å; F181-L186 HydrophobicContact CZ-CD1 3.92Å; F181-L186 HydrophobicContact CZ-CD2 4.42Å; F181-L186 HydrophobicContact CZ-CG 4.25Å; F181-L205 HydrophobicContact CE1-CD1 4.26Å; F181-L205 HydrophobicContact CZ-CD1 4.14Å
182	A	94.9	Very high	95.8	Very high	5 Å²	5	29.7 Å²	29.7	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140	173.1	0	0	0	0	0	109.1	G184 S185 F187 E231 I236 K263	A182-G184 PolarHBondContact O-N 2.87Å; A182-S185 PolarHBondContact N-O 2.94Å; A182-S185 PolarHBondContact O-N 3.34Å; A182-S185 VanDerWaalsContact O-O 3.13Å; A182-F187 HydrophobicContact CB-CD2 4.13Å; A182-F187 HydrophobicContact CB-CE2 3.97Å; A182-E231 VanDerWaalsContact CB-OE2 3.26Å; A182-E231 WeakPolarHBondContact CB-OE2 3.41Å; A182-I236 HydrophobicContact CB-CD1 3.59Å; A182-K263 HydrophobicContact CB-CD 4.21Å
183	D	91.4	Very high	95.6	Very high	109 Å²	109	31.2 Å²	31.2	58%	0.583	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	36.3	-176.2	-58	-16.7	0	0	0	114.3	S185 K263	D183-S185 PolarHBondContact O-N 3.39Å; D183-K263 IonicContact OD1-NZ 3.6Å; D183-K263 PolarHBondContact OD1-NZ 3.34Å; D183-K263 WeakPolarHBondContact OD2-CB 3.21Å; D183-K263 VanDerWaalsContact OD2-CD 3.23Å; D183-K263 WeakPolarHBondContact OD2-CD 3.45Å; D183-K263 WeakPolarHBondContact OD2-CE 3.48Å; D183-K263 IonicContact OD2-NZ 3.89Å; D183-K263 PolarHBondContact OD2-NZ 3.06Å
184	G	91.2	Very high	95.6	Very high	53 Å²	53	33.1 Å²	33.1	55%	0.546	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-12.5	-177.9	0	0	0	0	0	115.8	A182	A182-G184 PolarHBondContact O-N 2.87Å
185	S	95.7	Very high	95.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	148.1	175.9	-76.4	0	0	0	0	113	F181 A182 D183 L205	F181-S185 WeakPolarHBondContact CA-O 3.23Å; F181-S185 WeakPolarHBondContact CD1-O 3.4Å; A182-S185 PolarHBondContact N-O 2.94Å; A182-S185 PolarHBondContact O-N 3.34Å; A182-S185 VanDerWaalsContact O-O 3.13Å; D183-S185 PolarHBondContact O-N 3.39Å; S185-L205 WeakPolarHBondContact CA-O 3.05Å; S185-L205 WeakPolarHBondContact CB-O 3.38Å; S185-L205 PolarHBondContact OG-O 2.82Å
186	L	97.3	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118	170.3	175.7	62.8	0	0	0	110	L130 F137 R168 A179 F181 T188 R203 S204 L205	L130-L186 HydrophobicContact CD1-CD1 4.05Å; F137-L186 HydrophobicContact CE1-CD1 4.4Å; F137-L186 HydrophobicContact CE1-CD2 3.54Å; F137-L186 HydrophobicContact CZ-CD2 3.63Å; R168-L186 HydrophobicContact CB-CD2 4.26Å; R168-L186 HydrophobicContact CG-CD2 3.91Å; A179-L186 HydrophobicContact CB-CD1 4.29Å; F181-L186 HydrophobicContact CD1-CB 4.2Å; F181-L186 HydrophobicContact CD2-CD1 4.24Å; F181-L186 HydrophobicContact CE1-CB 3.61Å; F181-L186 HydrophobicContact CE1-CD1 4.41Å; F181-L186 HydrophobicContact CE2-CD1 3.85Å; F181-L186 HydrophobicContact CZ-CB 3.78Å; F181-L186 HydrophobicContact CZ-CD1 3.92Å; F181-L186 HydrophobicContact CZ-CD2 4.42Å; F181-L186 HydrophobicContact CZ-CG 4.25Å; L186-T188 HydrophobicContact CD1-CG2 3.85Å; L186-T188 HydrophobicContact CD2-CG2 4.12Å; L186-T188 HydrophobicContact CG-CG2 3.81Å; L186-R203 VanDerWaalsContact O-CA 3.28Å; L186-R203 WeakPolarHBondContact O-CA 3.34Å; L186-S204 WeakPolarHBondContact CA-O 3.21Å; L186-S204 WeakPolarHBondContact CB-O 3.45Å; L186-S204 PolarHBondContact N-O 2.78Å; L186-S204 PolarHBondContact O-N 3.38Å; L186-L205 HydrophobicContact CB-CB 4.4Å; L186-L205 HydrophobicContact CB-CD1 4.01Å; L186-L205 HydrophobicContact CB-CG 4.37Å; L186-L205 HydrophobicContact CD2-CD1 4.03Å
187	F	98.5	Very high	95.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.9	171.9	-71	-99.7	0	0	0	109.3	A179 L180 A182 R203 I236 F238 V261 W277	A179-F187 CarbonylContact C-O 3.48Å; A179-F187 WeakPolarHBondContact CA-O 3.27Å; L180-F187 PolarHBondContact N-O 2.88Å; L180-F187 PolarHBondContact O-N 2.9Å; A182-F187 HydrophobicContact CB-CD2 4.13Å; A182-F187 HydrophobicContact CB-CE2 3.97Å; F187-R203 HydrophobicContact CD1-CB 4.24Å; F187-R203 HydrophobicContact CD1-CG 4.24Å; F187-R203 HydrophobicContact CD2-CG 4.35Å; F187-R203 HydrophobicContact CE1-CB 4.28Å; F187-R203 HydrophobicContact CE1-CG 4.05Å; F187-R203 HydrophobicContact CE2-CG 4.15Å; F187-R203 HydrophobicContact CG-CG 4.4Å; F187-R203 VanDerWaalsContact CZ-CD 3.43Å; F187-R203 HydrophobicContact CZ-CG 4Å; F187-I236 HydrophobicContact CD1-CB 4.19Å; F187-I236 HydrophobicContact CD1-CG1 3.71Å; F187-I236 HydrophobicContact CD1-CG2 4.42Å; F187-I236 HydrophobicContact CD2-CG1 4.17Å; F187-I236 HydrophobicContact CE1-CB 4.36Å; F187-I236 HydrophobicContact CE1-CG1 3.62Å; F187-I236 HydrophobicContact CE2-CG1 4.12Å; F187-I236 HydrophobicContact CG-CG1 3.98Å; F187-I236 HydrophobicContact CZ-CG1 3.84Å; F187-F238 HydrophobicContact CB-CZ 4Å; F187-F238 HydrophobicContact CD1-CZ 4.34Å; F187-V261 HydrophobicContact CD1-CG2 4.4Å; F187-V261 HydrophobicContact CE1-CG2 4.2Å; F187-W277 HydrophobicContact CD1-CH2 4.13Å; F187-W277 AromaticContact CE1-CH2 3.73Å; F187-W277 HydrophobicContact CE1-CH2 3.73Å; F187-W277 HydrophobicContact CE1-CZ3 4.46Å
188	T	98.5	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.2	-169.2	32	0	0	0	0	112.5	A167 R168 V178 A179 L186 I201 Y202	A167-T188 PolarHBondContact O-OG1 3.47Å; R168-T188 HydrophobicContact CB-CG2 4.39Å; V178-T188 CarbonylContact O-C 3.6Å; V178-T188 VanDerWaalsContact O-CA 3.25Å; V178-T188 WeakPolarHBondContact O-CA 3.46Å; A179-T188 HydrophobicContact CB-CG2 3.77Å; L186-T188 HydrophobicContact CD1-CG2 3.85Å; L186-T188 HydrophobicContact CD2-CG2 4.12Å; L186-T188 HydrophobicContact CG-CG2 3.81Å; T188-I201 CarbonylContact O-C 3.6Å; T188-I201 WeakPolarHBondContact O-CA 3.2Å; T188-Y202 PolarHBondContact N-O 3.42Å; T188-Y202 PolarHBondContact O-N 2.82Å; T188-Y202 PolarHBondContact OG1-O 2.88Å
189	G	98.2	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.8	172.5	0	0	0	0	0	110	N177 V178 V200 F226	N177-G189 VanDerWaalsContact CA-O 3.32Å; N177-G189 WeakPolarHBondContact CA-O 3.44Å; V178-G189 PolarHBondContact N-O 2.84Å; V178-G189 PolarHBondContact O-N 2.84Å; G189-V200 WeakPolarHBondContact CA-O 3.38Å; G189-F226 WeakPolarHBondContact O-CD2 3.46Å
190	T	97.6	Very high	95.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-157.2	-177.5	-165.2	0	0	0	0	111.1	A167 A199 V200	A167-T190 VanDerWaalsContact C-CG2 3.48Å; A167-T190 WeakPolarHBondContact O-CG2 3.46Å; T190-A199 WeakPolarHBondContact O-CA 3.29Å; T190-V200 PolarHBondContact N-O 2.91Å; T190-V200 VanDerWaalsContact N-O 3.11Å; T190-V200 PolarHBondContact O-N 3.47Å
191	V	96.6	Very high	95.4	Very high	16 Å²	16	30.2 Å²	30.2	10%	0.097	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.8	176.3	-63.2	0	0	0	0	112	A196 D198 A199	V191-A196 HydrophobicContact CB-CB 4.22Å; V191-A196 HydrophobicContact CG1-CB 4.02Å; V191-A196 HydrophobicContact CG2-CB 3.94Å; V191-D198 CarbonylContact C-O 3.56Å; V191-D198 WeakPolarHBondContact CA-O 3.46Å; V191-A199 HydrophobicContact CG1-CB 4.21Å
192	T	95.5	Very high	95.6	Very high	21 Å²	21	30.4 Å²	30.4	13%	0.129	18%	0.176	C	C	.	.	S	Bend	trans	-93.9	-13.5	-179.1	83.9	0	0	0	0	114.6	A167 Y171 D198 V200	A167-T192 HydrophobicContact CB-CG2 3.88Å; Y171-T192 WeakPolarHBondContact CE2-O 3.43Å; Y171-T192 PolarHBondContact OH-O 2.85Å; T192-D198 PolarHBondContact N-O 3.35Å; T192-D198 WeakPolarHBondContact OG1-CB 3.22Å; T192-D198 PolarHBondContact OG1-OD2 3.38Å; T192-V200 HydrophobicContact CG2-CB 3.96Å; T192-V200 HydrophobicContact CG2-CG1 3.6Å; T192-V200 HydrophobicContact CG2-CG2 4.49Å
193	D	93.4	Very high	95.7	Very high	36 Å²	36	30.2 Å²	30.2	19%	0.193	17%	0.174	C	C	.	.	S	Bend	trans	-130.9	161.2	-166.6	79.9	-71.6	0	0	0	113.8	L195 A196 I197 D198	D193-L195 VanDerWaalsContact C-N 3.28Å; D193-L195 PolarHBondContact O-N 3.36Å; D193-L195 WeakPolarHBondContact OD2-CA 3.46Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.42Å; D193-L195 PolarHBondContact OD2-N 2.58Å; D193-A196 PolarHBondContact O-N 3.42Å; D193-A196 VanDerWaalsContact O-N 3.1Å; D193-A196 WeakPolarHBondContact OD1-CA 3.4Å; D193-A196 PolarHBondContact OD1-N 3.39Å; D193-A196 PolarHBondContact OD2-N 2.89Å; D193-A196 VanDerWaalsContact OD2-N 3.17Å; D193-I197 PolarHBondContact OD1-N 3.11Å; D193-D198 PolarHBondContact OD1-N 2.63Å
194	F	93	Very high	96	Very high	54 Å²	54	25.2 Å²	25.2	24%	0.237	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.7	-177.5	179.2	-91.9	0	0	0	113.9	K115 K117 F144 Y171 A196	K115-F194 HydrophobicContact CB-CE1 4.04Å; K115-F194 HydrophobicContact CB-CE2 4.1Å; K115-F194 HydrophobicContact CB-CZ 3.51Å; K115-F194 HydrophobicContact CD-CD1 4.44Å; K115-F194 HydrophobicContact CD-CD2 3.82Å; K115-F194 HydrophobicContact CD-CE1 4.15Å; K115-F194 HydrophobicContact CD-CE2 3.48Å; K115-F194 VanDerWaalsContact CD-CE2 3.48Å; K115-F194 HydrophobicContact CD-CG 4.3Å; K115-F194 HydrophobicContact CD-CZ 3.67Å; K115-F194 HydrophobicContact CG-CE2 4.45Å; K115-F194 HydrophobicContact CG-CZ 4.2Å; K117-F194 HydrophobicContact CG-CE2 4.31Å; K117-F194 HydrophobicContact CG-CZ 3.89Å; F144-F194 HydrophobicContact CB-CD2 3.74Å; F144-F194 HydrophobicContact CB-CE2 3.55Å; F144-F194 AromaticContact CD1-CD2 3.94Å; F144-F194 HydrophobicContact CD1-CD2 3.94Å; F144-F194 AromaticContact CD1-CE2 3.63Å; F144-F194 HydrophobicContact CD1-CE2 3.63Å; F144-F194 HydrophobicContact CD1-CZ 4.43Å; F144-F194 HydrophobicContact CG-CD2 4.23Å; F144-F194 AromaticContact CG-CE2 3.78Å; F144-F194 HydrophobicContact CG-CE2 3.78Å; Y171-F194 HydrophobicContact CD1-CB 4.34Å; Y171-F194 HydrophobicContact CD1-CD2 4.4Å; F194-A196 VanDerWaalsContact C-N 3.34Å
195	L	93.3	Very high	96	Very high	126 Å²	126	25.5 Å²	25.5	66%	0.66	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.5	177.7	-56.1	174.6	0	0	0	112.2	D193 I197	D193-L195 VanDerWaalsContact C-N 3.28Å; D193-L195 PolarHBondContact O-N 3.36Å; D193-L195 WeakPolarHBondContact OD2-CA 3.46Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.42Å; D193-L195 PolarHBondContact OD2-N 2.58Å; L195-I197 VanDerWaalsContact C-N 3.27Å; L195-I197 HydrophobicContact CB-CD1 3.73Å; L195-I197 HydrophobicContact CB-CG1 3.86Å; L195-I197 HydrophobicContact CD1-CD1 3.93Å; L195-I197 PolarHBondContact O-N 3.22Å
196	A	92.1	Very high	95.7	Very high	32 Å²	32	27.5 Å²	27.5	26%	0.264	16%	0.158	S	C	.	.	S	Bend	trans	57.8	34.4	-178.6	0	0	0	0	0	114.4	H175 V191 D193 F194	H175-A196 WeakPolarHBondContact CE1-CB 3.18Å; V191-A196 HydrophobicContact CB-CB 4.22Å; V191-A196 HydrophobicContact CG1-CB 4.02Å; V191-A196 HydrophobicContact CG2-CB 3.94Å; D193-A196 PolarHBondContact O-N 3.42Å; D193-A196 VanDerWaalsContact O-N 3.1Å; D193-A196 WeakPolarHBondContact OD1-CA 3.4Å; D193-A196 PolarHBondContact OD1-N 3.39Å; D193-A196 PolarHBondContact OD2-N 2.89Å; D193-A196 VanDerWaalsContact OD2-N 3.17Å; F194-A196 VanDerWaalsContact C-N 3.34Å
197	I	92.9	Very high	95.3	Very high	113 Å²	113	36 Å²	36	58%	0.579	20%	0.203	S	C	*	.			trans	-87.6	-35.4	178.7	-61	171.9	0	0	0	110.9	D193 L195 A199	D193-I197 PolarHBondContact OD1-N 3.11Å; L195-I197 VanDerWaalsContact C-N 3.27Å; L195-I197 HydrophobicContact CB-CD1 3.73Å; L195-I197 HydrophobicContact CB-CG1 3.86Å; L195-I197 HydrophobicContact CD1-CD1 3.93Å; L195-I197 PolarHBondContact O-N 3.22Å; I197-A199 PolarHBondContact O-N 2.98Å
198	D	95.1	Very high	94.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.217	C	C	.	.			trans	-93	79.1	-179.6	-171.7	24.9	0	0	0	111.1	V191 T192 D193 R212 K215	V191-D198 CarbonylContact C-O 3.56Å; V191-D198 WeakPolarHBondContact CA-O 3.46Å; T192-D198 PolarHBondContact N-O 3.35Å; T192-D198 WeakPolarHBondContact OG1-CB 3.22Å; T192-D198 PolarHBondContact OG1-OD2 3.38Å; D193-D198 PolarHBondContact OD1-N 2.63Å; D198-R212 IonicContact OD1-CZ 3.94Å; D198-R212 IonicContact OD1-NH1 2.81Å; D198-R212 IonicContact OD1-NH2 2.66Å; D198-R212 PolarHBondContact OD1-NH2 3.16Å; D198-R212 IonicContact OD2-CZ 3.37Å; D198-R212 IonicContact OD2-NH1 3.22Å; D198-R212 PolarHBondContact OD2-NH1 2.87Å; D198-R212 IonicContact OD2-NH2 3.72Å; D198-R212 PolarHBondContact OD2-NH2 2.73Å; D198-K215 VanDerWaalsContact OD1-CG 3.29Å; D198-K215 WeakPolarHBondContact OD1-CG 3.31Å; D198-K215 WeakPolarHBondContact OD2-CE 3.36Å; D198-K215 WeakPolarHBondContact OD2-CG 3.48Å
199	A	96.6	Very high	94.7	Very high	15 Å²	15	40.5 Å²	40.5	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.8	169.8	0	0	0	0	0	111.5	T190 V191 I197 P224	T190-A199 WeakPolarHBondContact O-CA 3.29Å; V191-A199 HydrophobicContact CG1-CB 4.21Å; I197-A199 PolarHBondContact O-N 2.98Å; A199-P224 HydrophobicContact CB-CG 3.43Å; A199-P224 VanDerWaalsContact CB-CG 3.43Å
200	V	97.9	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.4	-167.7	75	0	0	0	0	112.4	A167 G189 T190 T192 R212 T213	A167-V200 HydrophobicContact CB-CG1 4.03Å; G189-V200 WeakPolarHBondContact CA-O 3.38Å; T190-V200 PolarHBondContact N-O 2.91Å; T190-V200 VanDerWaalsContact N-O 3.11Å; T190-V200 PolarHBondContact O-N 3.47Å; T192-V200 HydrophobicContact CG2-CB 3.96Å; T192-V200 HydrophobicContact CG2-CG1 3.6Å; T192-V200 HydrophobicContact CG2-CG2 4.49Å; V200-R212 HydrophobicContact CG2-CB 3.73Å; V200-T213 WeakPolarHBondContact CA-OG1 3.26Å; V200-T213 WeakPolarHBondContact CG2-OG1 3.49Å
201	I	98.6	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.1	152.2	-78.9	171.1	0	0	0	107.3	T188 R212 T213 F221 F226 F238 W277 F280	T188-I201 CarbonylContact O-C 3.6Å; T188-I201 WeakPolarHBondContact O-CA 3.2Å; I201-R212 WeakPolarHBondContact O-CA 3.43Å; I201-T213 HydrophobicContact CB-CG2 3.85Å; I201-T213 PolarHBondContact N-OG1 3.36Å; I201-T213 PolarHBondContact O-N 2.91Å; I201-T213 VanDerWaalsContact O-N 3.1Å; I201-F221 HydrophobicContact CB-CE2 4.49Å; I201-F221 HydrophobicContact CB-CZ 4.27Å; I201-F221 HydrophobicContact CD1-CE1 4.48Å; I201-F221 HydrophobicContact CD1-CZ 3.74Å; I201-F221 HydrophobicContact CG1-CE2 4.38Å; I201-F221 HydrophobicContact CG1-CZ 3.79Å; I201-F226 HydrophobicContact CD1-CE1 4.11Å; I201-F226 HydrophobicContact CG1-CE1 3.76Å; I201-F226 HydrophobicContact CG1-CZ 4.33Å; I201-F238 HydrophobicContact CD1-CB 3.59Å; I201-F238 HydrophobicContact CD1-CD1 3.68Å; I201-F238 HydrophobicContact CD1-CD2 3.86Å; I201-F238 HydrophobicContact CD1-CE1 4.23Å; I201-F238 HydrophobicContact CD1-CE2 4.39Å; I201-F238 HydrophobicContact CD1-CG 3.45Å; I201-F238 VanDerWaalsContact CD1-CG 3.45Å; I201-F238 HydrophobicContact CG1-CD1 3.87Å; I201-F238 HydrophobicContact CG1-CE1 4.02Å; I201-F238 HydrophobicContact CG1-CG 4.15Å; I201-F238 HydrophobicContact CG1-CZ 4.42Å; I201-F238 HydrophobicContact CG2-CD1 4.44Å; I201-F238 HydrophobicContact CG2-CD2 4.19Å; I201-F238 HydrophobicContact CG2-CE1 3.95Å; I201-F238 HydrophobicContact CG2-CE2 3.66Å; I201-F238 HydrophobicContact CG2-CZ 3.51Å; I201-W277 HydrophobicContact CG2-CZ2 4.4Å; I201-W277 PolarHBondContact O-NE1 3.06Å; I201-F280 HydrophobicContact CD1-CE2 4.2Å
202	Y	98.4	Very high	94.7	Very high	50 Å²	50	44.3 Å²	44.3	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	-166.7	-175.3	-125.7	0	0	0	111.2	A167 T188 A210 L211 R212	A167-Y202 HydrophobicContact CB-CD1 3.5Å; A167-Y202 HydrophobicContact CB-CE1 3.87Å; A167-Y202 HydrophobicContact CB-CG 3.88Å; T188-Y202 PolarHBondContact N-O 3.42Å; T188-Y202 PolarHBondContact O-N 2.82Å; T188-Y202 PolarHBondContact OG1-O 2.88Å; Y202-A210 HydrophobicContact CE2-CB 4.15Å; Y202-L211 CarbonylContact C-O 3.54Å; Y202-L211 WeakPolarHBondContact CA-O 3.31Å; Y202-L211 WeakPolarHBondContact CD2-O 3.47Å; Y202-R212 HydrophobicContact CD2-CB 3.92Å; Y202-R212 HydrophobicContact CE2-CB 4.5Å
203	R	98.1	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.3	165.5	-173.5	-171.7	69.5	-157.4	-7.7	109.9	L186 F187 P209 A210 L211 K263 D265 W277	L186-R203 VanDerWaalsContact O-CA 3.28Å; L186-R203 WeakPolarHBondContact O-CA 3.34Å; F187-R203 HydrophobicContact CD1-CB 4.24Å; F187-R203 HydrophobicContact CD1-CG 4.24Å; F187-R203 HydrophobicContact CD2-CG 4.35Å; F187-R203 HydrophobicContact CE1-CB 4.28Å; F187-R203 HydrophobicContact CE1-CG 4.05Å; F187-R203 HydrophobicContact CE2-CG 4.15Å; F187-R203 HydrophobicContact CG-CG 4.4Å; F187-R203 VanDerWaalsContact CZ-CD 3.43Å; F187-R203 HydrophobicContact CZ-CG 4Å; R203-P209 PolarHBondContact NE-O 3.36Å; R203-P209 PolarHBondContact NH2-O 3.28Å; R203-A210 WeakPolarHBondContact O-CA 3.28Å; R203-L211 PolarHBondContact N-O 2.66Å; R203-L211 VanDerWaalsContact NH2-CD1 3.34Å; R203-L211 PolarHBondContact O-N 2.85Å; R203-L211 VanDerWaalsContact O-N 3.13Å; R203-K263 PolarHBondContact NH1-O 2.98Å; R203-D265 PolarHBondContact NH1-O 3.24Å; R203-D265 PolarHBondContact NH2-O 2.99Å; R203-W277 HydrophobicContact CB-CH2 3.52Å; R203-W277 HydrophobicContact CB-CZ2 3.63Å; R203-W277 HydrophobicContact CG-CH2 4.39Å
204	S	96.5	Very high	95	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	175.3	170.1	66	0	0	0	0	110.7	R168 L186	R168-S204 PolarHBondContact NE-OG 2.95Å; R168-S204 PolarHBondContact NH2-OG 2.89Å; L186-S204 WeakPolarHBondContact CA-O 3.21Å; L186-S204 WeakPolarHBondContact CB-O 3.45Å; L186-S204 PolarHBondContact N-O 2.78Å; L186-S204 PolarHBondContact O-N 3.38Å
205	L	92	Very high	95.1	Very high	60 Å²	60	44.8 Å²	44.8	31%	0.314	26%	0.255	S	S	.	.	S	Bend	trans	65.2	163.3	-171.8	-48.7	176.5	0	0	0	112.8	F137 R168 F181 S185 L186	F137-L205 HydrophobicContact CD2-CD1 4.48Å; F137-L205 HydrophobicContact CE2-CD1 3.65Å; F137-L205 HydrophobicContact CZ-CD1 3.88Å; R168-L205 VanDerWaalsContact NH2-CD2 3.29Å; F181-L205 HydrophobicContact CE1-CD1 4.26Å; F181-L205 HydrophobicContact CZ-CD1 4.14Å; S185-L205 WeakPolarHBondContact CA-O 3.05Å; S185-L205 WeakPolarHBondContact CB-O 3.38Å; S185-L205 PolarHBondContact OG-O 2.82Å; L186-L205 HydrophobicContact CB-CB 4.4Å; L186-L205 HydrophobicContact CB-CD1 4.01Å; L186-L205 HydrophobicContact CB-CG 4.37Å; L186-L205 HydrophobicContact CD2-CD1 4.03Å
206	G	89.2	Confident	95	Very high	44 Å²	44	45 Å²	45	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	69.1	-177.5	-164.2	0	0	0	0	0	112.3	S208	G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 3.34Å
207	D	88.9	Confident	95	Very high	178 Å²	178	45.4 Å²	45.4	95%	0.952	25%	0.25	S	S	*	.	S	Bend	trans	-79.4	-9.3	-175.8	-51.9	-58.1	0	0	0	113.6
208	S	90.9	Very high	95	Very high	42 Å²	42	42.7 Å²	42.7	29%	0.294	24%	0.241	S	C	.	.	S	Bend	trans	-76.8	144.5	179.7	-74.1	0	0	0	0	112.4	G206	G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 3.34Å
209	P	93.8	Very high	94.9	Very high	54 Å²	54	45.3 Å²	45.3	35%	0.351	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-61.9	146.7	179	26.4	-34.5	0	0	0	111.5	R203 L211 L266	R203-P209 PolarHBondContact NE-O 3.36Å; R203-P209 PolarHBondContact NH2-O 3.28Å; P209-L211 PolarHBondContact O-N 3.34Å; P209-L266 HydrophobicContact CG-CB 4.21Å; P209-L266 HydrophobicContact CG-CD2 3.97Å
210	A	96.8	Very high	94.8	Very high	43 Å²	43	44.6 Å²	44.6	36%	0.355	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-70.8	125.2	175.9	0	0	0	0	0	110.7	Y202 R203	Y202-A210 HydrophobicContact CE2-CB 4.15Å; R203-A210 WeakPolarHBondContact O-CA 3.28Å
211	L	98.1	Very high	94.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.8	-177.2	-63.7	-177.1	0	0	0	111.1	Y202 R203 P209 D265 W277	Y202-L211 CarbonylContact C-O 3.54Å; Y202-L211 WeakPolarHBondContact CA-O 3.31Å; Y202-L211 WeakPolarHBondContact CD2-O 3.47Å; R203-L211 PolarHBondContact N-O 2.66Å; R203-L211 VanDerWaalsContact NH2-CD1 3.34Å; R203-L211 PolarHBondContact O-N 2.85Å; R203-L211 VanDerWaalsContact O-N 3.13Å; P209-L211 PolarHBondContact O-N 3.34Å; L211-D265 HydrophobicContact CD1-CB 3.9Å; L211-D265 WeakPolarHBondContact CD1-O 3.4Å; L211-W277 HydrophobicContact CB-CD2 3.94Å; L211-W277 HydrophobicContact CB-CE3 4.11Å; L211-W277 HydrophobicContact CB-CH2 4.23Å; L211-W277 HydrophobicContact CB-CZ2 4.06Å; L211-W277 HydrophobicContact CB-CZ3 4.26Å; L211-W277 HydrophobicContact CD1-CD2 4.29Å; L211-W277 HydrophobicContact CD1-CE3 3.68Å; L211-W277 HydrophobicContact CD1-CH2 4.45Å; L211-W277 HydrophobicContact CD1-CZ3 3.78Å
212	R	97.8	Very high	94.4	Very high	53 Å²	53	48.2 Å²	48.2	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.3	176.4	63.6	163.8	-67.9	149.8	7.1	113.4	D198 V200 I201 Y202 K275 Q276 W277	D198-R212 IonicContact OD1-CZ 3.94Å; D198-R212 IonicContact OD1-NH1 2.81Å; D198-R212 IonicContact OD1-NH2 2.66Å; D198-R212 PolarHBondContact OD1-NH2 3.16Å; D198-R212 IonicContact OD2-CZ 3.37Å; D198-R212 IonicContact OD2-NH1 3.22Å; D198-R212 PolarHBondContact OD2-NH1 2.87Å; D198-R212 IonicContact OD2-NH2 3.72Å; D198-R212 PolarHBondContact OD2-NH2 2.73Å; V200-R212 HydrophobicContact CG2-CB 3.73Å; I201-R212 WeakPolarHBondContact O-CA 3.43Å; Y202-R212 HydrophobicContact CD2-CB 3.92Å; Y202-R212 HydrophobicContact CE2-CB 4.5Å; R212-K275 PolarHBondContact N-O 2.71Å; R212-Q276 HydrophobicContact CG-CG 4.49Å; R212-Q276 VanDerWaalsContact O-CA 3.22Å; R212-Q276 WeakPolarHBondContact O-CA 3.42Å; R212-W277 PolarHBondContact O-N 2.93Å
213	T	98.1	Very high	94.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.1	153.3	164.1	50.3	0	0	0	0	111.3	V200 I201 K215 W220 F221 F280	V200-T213 WeakPolarHBondContact CA-OG1 3.26Å; V200-T213 WeakPolarHBondContact CG2-OG1 3.49Å; I201-T213 HydrophobicContact CB-CG2 3.85Å; I201-T213 PolarHBondContact N-OG1 3.36Å; I201-T213 PolarHBondContact O-N 2.91Å; I201-T213 VanDerWaalsContact O-N 3.1Å; T213-K215 PolarHBondContact O-N 3.27Å; T213-W220 HydrophobicContact CG2-CE3 3.67Å; T213-W220 HydrophobicContact CG2-CZ3 3.85Å; T213-F221 HydrophobicContact CG2-CE2 3.69Å; T213-F221 HydrophobicContact CG2-CZ 4.21Å; T213-F221 WeakPolarHBondContact OG1-CE2 3.4Å; T213-F280 HydrophobicContact CG2-CD2 4.19Å; T213-F280 HydrophobicContact CG2-CE2 4.22Å; T213-F280 HydrophobicContact CG2-CG 4.47Å
214	V	97.4	Very high	94.1	Very high	18 Å²	18	53.1 Å²	53.1	11%	0.109	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-56.8	135.7	179.1	178.8	0	0	0	0	110.1	D217 W220 L273	V214-D217 HydrophobicContact CB-CB 4.14Å; V214-D217 HydrophobicContact CG1-CB 3.72Å; V214-W220 HydrophobicContact CB-CD2 3.92Å; V214-W220 HydrophobicContact CB-CE3 4.45Å; V214-W220 HydrophobicContact CB-CG 4.12Å; V214-W220 HydrophobicContact CB-CZ2 4.34Å; V214-W220 HydrophobicContact CG2-CD2 3.91Å; V214-W220 VanDerWaalsContact CG2-CE2 3.4Å; V214-W220 HydrophobicContact CG2-CE3 4.36Å; V214-W220 HydrophobicContact CG2-CH2 3.91Å; V214-W220 HydrophobicContact CG2-CZ2 3.41Å; V214-W220 VanDerWaalsContact CG2-CZ2 3.41Å; V214-W220 HydrophobicContact CG2-CZ3 4.36Å; V214-L273 HydrophobicContact CG2-CD2 3.83Å
215	K	94.6	Very high	94.2	Very high	104 Å²	104	57.7 Å²	57.7	45%	0.452	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	135.2	-177.3	-152.8	-165.1	-172.3	-148.6	0	110.7	D198 T213 D217	D198-K215 VanDerWaalsContact OD1-CG 3.29Å; D198-K215 WeakPolarHBondContact OD1-CG 3.31Å; D198-K215 WeakPolarHBondContact OD2-CE 3.36Å; D198-K215 WeakPolarHBondContact OD2-CG 3.48Å; T213-K215 PolarHBondContact O-N 3.27Å; K215-D217 PolarHBondContact O-N 3.05Å
216	H	90.7	Very high	94.5	Very high	130 Å²	130	55.2 Å²	55.2	60%	0.602	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.1	174.7	-53.5	-47.9	0	0	0	115.6
217	D	93.6	Very high	94.9	Very high	41 Å²	41	54.5 Å²	54.5	22%	0.219	28%	0.279	C	S	.	.			trans	-98	113.6	175.3	-170.8	-37.9	0	0	0	110.7	V214 K215 K219 W220 F221	V214-D217 HydrophobicContact CB-CB 4.14Å; V214-D217 HydrophobicContact CG1-CB 3.72Å; K215-D217 PolarHBondContact O-N 3.05Å; D217-K219 VanDerWaalsContact C-N 3.28Å; D217-K219 PolarHBondContact O-N 2.89Å; D217-K219 WeakPolarHBondContact OD1-CA 3.43Å; D217-K219 VanDerWaalsContact OD1-CB 3.26Å; D217-K219 WeakPolarHBondContact OD1-CB 3.27Å; D217-K219 PolarHBondContact OD1-N 2.77Å; D217-W220 HydrophobicContact CB-CB 4.34Å; D217-W220 HydrophobicContact CB-CG 4.31Å; D217-W220 VanDerWaalsContact CG-CD1 3.45Å; D217-W220 WeakPolarHBondContact O-CB 3.46Å; D217-W220 PolarHBondContact O-N 3.45Å; D217-W220 VanDerWaalsContact O-N 3.13Å; D217-F221 PolarHBondContact O-N 2.96Å; D217-F221 VanDerWaalsContact O-N 3.08Å
218	S	92.1	Very high	95.3	Very high	56 Å²	56	47.1 Å²	47.1	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17	-177.5	58	0	0	0	0	114.3	W220 F221	S218-W220 VanDerWaalsContact C-N 3.33Å; S218-F221 WeakPolarHBondContact CA-O 3.28Å
219	K	92.8	Very high	95.6	Very high	59 Å²	59	46.1 Å²	46.1	26%	0.257	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-36	169.3	-62.5	-175.5	164.3	-168.4	0	110.5	D217 K282 T396 P398	D217-K219 VanDerWaalsContact C-N 3.28Å; D217-K219 PolarHBondContact O-N 2.89Å; D217-K219 WeakPolarHBondContact OD1-CA 3.43Å; D217-K219 VanDerWaalsContact OD1-CB 3.26Å; D217-K219 WeakPolarHBondContact OD1-CB 3.27Å; D217-K219 PolarHBondContact OD1-N 2.77Å; K219-K282 WeakPolarHBondContact O-CE 3.31Å; K219-K282 PolarHBondContact O-NZ 2.81Å; K219-T396 VanDerWaalsContact CD-O 3.32Å; K219-T396 WeakPolarHBondContact CD-O 3.41Å; K219-T396 PolarHBondContact NZ-O 3.01Å; K219-P398 HydrophobicContact CB-CG 3.96Å; K219-P398 WeakPolarHBondContact O-CG 3.4Å
220	W	95.6	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-53.2	177.3	-74	63.7	0	0	0	111.5	T213 V214 D217 S218 L273 W277 F280 K282 K395 P398	T213-W220 HydrophobicContact CG2-CE3 3.67Å; T213-W220 HydrophobicContact CG2-CZ3 3.85Å; V214-W220 HydrophobicContact CB-CD2 3.92Å; V214-W220 HydrophobicContact CB-CE3 4.45Å; V214-W220 HydrophobicContact CB-CG 4.12Å; V214-W220 HydrophobicContact CB-CZ2 4.34Å; V214-W220 HydrophobicContact CG2-CD2 3.91Å; V214-W220 VanDerWaalsContact CG2-CE2 3.4Å; V214-W220 HydrophobicContact CG2-CE3 4.36Å; V214-W220 HydrophobicContact CG2-CH2 3.91Å; V214-W220 HydrophobicContact CG2-CZ2 3.41Å; V214-W220 VanDerWaalsContact CG2-CZ2 3.41Å; V214-W220 HydrophobicContact CG2-CZ3 4.36Å; D217-W220 HydrophobicContact CB-CB 4.34Å; D217-W220 HydrophobicContact CB-CG 4.31Å; D217-W220 VanDerWaalsContact CG-CD1 3.45Å; D217-W220 WeakPolarHBondContact O-CB 3.46Å; D217-W220 PolarHBondContact O-N 3.45Å; D217-W220 VanDerWaalsContact O-N 3.13Å; S218-W220 VanDerWaalsContact C-N 3.33Å; W220-L273 HydrophobicContact CH2-CD2 4.35Å; W220-L273 HydrophobicContact CZ2-CD2 4.09Å; W220-W277 HydrophobicContact CH2-CB 4.31Å; W220-W277 WeakPolarHBondContact CH2-O 3.47Å; W220-W277 HydrophobicContact CZ3-CB 4.24Å; W220-F280 HydrophobicContact CB-CE1 4.43Å; W220-F280 AromaticContact CD2-CD1 3.88Å; W220-F280 HydrophobicContact CD2-CD1 3.88Å; W220-F280 HydrophobicContact CD2-CE1 4.05Å; W220-F280 HydrophobicContact CE3-CB 4.35Å; W220-F280 AromaticContact CE3-CD1 3.25Å; W220-F280 HydrophobicContact CE3-CD1 3.25Å; W220-F280 AromaticContact CE3-CE1 3.59Å; W220-F280 HydrophobicContact CE3-CE1 3.59Å; W220-F280 AromaticContact CE3-CG 3.87Å; W220-F280 HydrophobicContact CE3-CG 3.87Å; W220-F280 HydrophobicContact CE3-CZ 4.44Å; W220-F280 HydrophobicContact CG-CE1 4.42Å; W220-F280 HydrophobicContact CH2-CB 3.99Å; W220-F280 HydrophobicContact CH2-CD1 4.09Å; W220-F280 HydrophobicContact CH2-CG 4.37Å; W220-F280 HydrophobicContact CZ3-CB 3.58Å; W220-F280 AromaticContact CZ3-CD1 3.38Å; W220-F280 HydrophobicContact CZ3-CD1 3.38Å; W220-F280 HydrophobicContact CZ3-CE1 4.19Å; W220-F280 AromaticContact CZ3-CG 3.6Å; W220-F280 HydrophobicContact CZ3-CG 3.6Å; W220-K282 PolarHBondContact O-NZ 3.03Å; W220-K395 PolarHBondContact NE1-O 3.49Å; W220-P398 HydrophobicContact CG-CG 4.49Å
221	F	94.2	Very high	95.8	Very high	21 Å²	21	46 Å²	46	9%	0.092	22%	0.223	C	C	.	.			trans	-147	139.4	176.9	-73.3	-50.2	0	0	0	113.3	I201 T213 D217 S218 P224 F226 F240 F280	I201-F221 HydrophobicContact CB-CE2 4.49Å; I201-F221 HydrophobicContact CB-CZ 4.27Å; I201-F221 HydrophobicContact CD1-CE1 4.48Å; I201-F221 HydrophobicContact CD1-CZ 3.74Å; I201-F221 HydrophobicContact CG1-CE2 4.38Å; I201-F221 HydrophobicContact CG1-CZ 3.79Å; T213-F221 HydrophobicContact CG2-CE2 3.69Å; T213-F221 HydrophobicContact CG2-CZ 4.21Å; T213-F221 WeakPolarHBondContact OG1-CE2 3.4Å; D217-F221 PolarHBondContact O-N 2.96Å; D217-F221 VanDerWaalsContact O-N 3.08Å; S218-F221 WeakPolarHBondContact CA-O 3.28Å; F221-P224 HydrophobicContact CB-CG 3.96Å; F221-P224 HydrophobicContact CD1-CB 3.91Å; F221-P224 HydrophobicContact CD1-CG 3.88Å; F221-P224 HydrophobicContact CE1-CB 4.41Å; F221-P224 HydrophobicContact CG-CB 4.44Å; F221-P224 HydrophobicContact CG-CG 3.9Å; F221-F226 HydrophobicContact CE1-CE1 4.08Å; F221-F226 HydrophobicContact CE1-CZ 4.33Å; F221-F226 HydrophobicContact CE2-CZ 4.26Å; F221-F226 AromaticContact CZ-CE1 3.87Å; F221-F226 HydrophobicContact CZ-CE1 3.87Å; F221-F226 AromaticContact CZ-CZ 3.98Å; F221-F226 HydrophobicContact CZ-CZ 3.98Å; F221-F240 AromaticContact CD1-CE2 3.93Å; F221-F240 HydrophobicContact CD1-CE2 3.93Å; F221-F240 HydrophobicContact CD1-CZ 4.29Å; F221-F240 HydrophobicContact CE1-CD2 4.29Å; F221-F240 HydrophobicContact CE1-CE1 4.32Å; F221-F240 AromaticContact CE1-CE2 3.72Å; F221-F240 HydrophobicContact CE1-CE2 3.72Å; F221-F240 AromaticContact CE1-CZ 3.73Å; F221-F240 HydrophobicContact CE1-CZ 3.73Å; F221-F280 HydrophobicContact CE1-CZ 4.23Å; F221-F280 HydrophobicContact CZ-CE2 4.28Å; F221-F280 HydrophobicContact CZ-CZ 4.2Å
222	R	93.4	Very high	95.7	Very high	54 Å²	54	49 Å²	49	20%	0.204	23%	0.234	C	C	.	.	S	Bend	trans	-132.4	105.4	168.1	-167.4	-174.1	-174.5	-175.4	12.8	110	E242 M243 A244 H248	R222-E242 WeakPolarHBondContact O-CB 3.02Å; R222-M243 HydrophobicContact CB-CB 4.05Å; R222-M243 HydrophobicContact CG-CB 3.73Å; R222-M243 WeakPolarHBondContact O-CB 3.19Å; R222-M243 PolarHBondContact O-N 2.81Å; R222-A244 PolarHBondContact NH1-O 2.66Å; R222-A244 VanDerWaalsContact NH1-O 3.12Å; R222-H248 PolarHBondContact NH2-NE2 2.81Å
223	E	93.6	Very high	95.5	Very high	130 Å²	130	48.9 Å²	48.9	61%	0.607	25%	0.249	S	C	*	.	S	Bend	trans	50	52.9	179.3	-62.3	163.2	-133.8	0	0	113.6	M243	E223-M243 HydrophobicContact CB-CG 3.99Å
224	P	96.6	Very high	95.4	Very high	24 Å²	24	52.2 Å²	52.2	16%	0.156	27%	0.271	C	S	.	.			trans	-77.3	142.5	-174.1	34.8	-37.8	0	0	0	112.8	A199 F221 F226 F240 R241 E242	A199-P224 HydrophobicContact CB-CG 3.43Å; A199-P224 VanDerWaalsContact CB-CG 3.43Å; F221-P224 HydrophobicContact CB-CG 3.96Å; F221-P224 HydrophobicContact CD1-CB 3.91Å; F221-P224 HydrophobicContact CD1-CG 3.88Å; F221-P224 HydrophobicContact CE1-CB 4.41Å; F221-P224 HydrophobicContact CG-CB 4.44Å; F221-P224 HydrophobicContact CG-CG 3.9Å; P224-F226 HydrophobicContact CB-CZ 4.33Å; P224-F226 HydrophobicContact CG-CE2 4.27Å; P224-F226 HydrophobicContact CG-CZ 4.05Å; P224-F240 HydrophobicContact CB-CD2 3.96Å; P224-F240 HydrophobicContact CB-CE2 4.46Å; P224-R241 CarbonylContact C-O 3.59Å; P224-R241 WeakPolarHBondContact CA-O 3.36Å; P224-E242 HydrophobicContact CB-CB 4.31Å
225	Y	97.4	Very high	95.4	Very high	99 Å²	99	52.1 Å²	52.1	39%	0.388	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.9	167.6	-173	-74.7	0	0	0	108.7	A176 V227 F240 R241	A176-Y225 HydrophobicContact CB-CD1 3.96Å; A176-Y225 HydrophobicContact CB-CD2 4.25Å; A176-Y225 HydrophobicContact CB-CE1 3.49Å; A176-Y225 VanDerWaalsContact CB-CE1 3.49Å; A176-Y225 HydrophobicContact CB-CE2 3.81Å; A176-Y225 HydrophobicContact CB-CG 4.33Å; A176-Y225 VanDerWaalsContact CB-CZ 3.42Å; Y225-V227 HydrophobicContact CD1-CG2 4.3Å; Y225-F240 CarbonylContact O-C 3.55Å; Y225-F240 VanDerWaalsContact O-CA 3.27Å; Y225-F240 WeakPolarHBondContact O-CA 3.42Å; Y225-F240 VanDerWaalsContact O-CB 3.29Å; Y225-F240 WeakPolarHBondContact O-CB 3.21Å; Y225-R241 VanDerWaalsContact CD1-NH1 3.34Å; Y225-R241 VanDerWaalsContact CE1-NH2 3.28Å; Y225-R241 VanDerWaalsContact CG-NH2 3.33Å; Y225-R241 PolarHBondContact N-O 3.47Å; Y225-R241 PolarHBondContact O-N 2.79Å
226	F	98.1	Very high	95.6	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	139.7	179.2	-56.8	-75.5	0	0	0	111.5	A176 V178 G189 I201 F221 P224 F240	A176-F226 WeakPolarHBondContact CB-O 3.3Å; V178-F226 HydrophobicContact CB-CB 4.31Å; V178-F226 HydrophobicContact CG2-CB 3.68Å; G189-F226 WeakPolarHBondContact O-CD2 3.46Å; I201-F226 HydrophobicContact CD1-CE1 4.11Å; I201-F226 HydrophobicContact CG1-CE1 3.76Å; I201-F226 HydrophobicContact CG1-CZ 4.33Å; F221-F226 HydrophobicContact CE1-CE1 4.08Å; F221-F226 HydrophobicContact CE1-CZ 4.33Å; F221-F226 HydrophobicContact CE2-CZ 4.26Å; F221-F226 AromaticContact CZ-CE1 3.87Å; F221-F226 HydrophobicContact CZ-CE1 3.87Å; F221-F226 AromaticContact CZ-CZ 3.98Å; F221-F226 HydrophobicContact CZ-CZ 3.98Å; P224-F226 HydrophobicContact CB-CZ 4.33Å; P224-F226 HydrophobicContact CG-CE2 4.27Å; P224-F226 HydrophobicContact CG-CZ 4.05Å; F226-F240 HydrophobicContact CD1-CB 3.93Å; F226-F240 HydrophobicContact CD1-CG 4.41Å
227	V	97.8	Very high	95.9	Very high	30 Å²	30	41 Å²	41	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-55.6	-176.3	171.4	0	0	0	0	111.3	V178 Y225 F239 L300 H301	V178-V227 VanDerWaalsContact CG2-C 3.5Å; Y225-V227 HydrophobicContact CD1-CG2 4.3Å; V227-F239 WeakPolarHBondContact CB-O 3.49Å; V227-F239 PolarHBondContact N-O 2.93Å; V227-L300 HydrophobicContact CB-CD2 4.12Å; V227-L300 HydrophobicContact CG1-CD2 4.06Å; V227-L300 HydrophobicContact CG1-CG 4.19Å; V227-L300 HydrophobicContact CG2-CD2 4.19Å; V227-L300 HydrophobicContact CG2-CG 4.3Å; V227-L300 WeakPolarHBondContact CG2-O 3.3Å; V227-H301 WeakPolarHBondContact CG1-O 3.48Å
228	S	97.3	Very high	96.2	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.161	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.7	-178.7	60.9	0	0	0	0	111.7	F239 T303	S228-F239 PolarHBondContact N-O 2.91Å; S228-F239 PolarHBondContact O-N 2.94Å; S228-F239 WeakPolarHBondContact OG-CB 3.1Å; S228-T303 WeakPolarHBondContact CB-OG1 3.3Å; S228-T303 WeakPolarHBondContact OG-CG2 3.33Å; S228-T303 PolarHBondContact OG-OG1 2.72Å
229	A	97.9	Very high	96.5	Very high	21 Å²	21	36.5 Å²	36.5	17%	0.174	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.6	164.1	0	0	0	0	0	110.1	V178 L180 I236 Y237 F238	V178-A229 HydrophobicContact CG1-CB 3.38Å; L180-A229 HydrophobicContact CD2-CB 4.46Å; A229-I236 HydrophobicContact CB-CG2 4.35Å; A229-Y237 CarbonylContact C-O 3.56Å; A229-Y237 WeakPolarHBondContact CA-O 3.39Å; A229-Y237 VanDerWaalsContact CB-O 3.31Å; A229-Y237 WeakPolarHBondContact CB-O 3.43Å; A229-F238 HydrophobicContact CB-CD1 3.75Å; A229-F238 HydrophobicContact CB-CE1 4.06Å; A229-F238 HydrophobicContact CB-CG 4.11Å
230	M	96.9	Very high	96.8	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.5	-179.3	60.5	-172.9	62.9	0	0	110.8	Y237 F239 I306 I315 M336	M230-Y237 PolarHBondContact N-O 3.28Å; M230-Y237 PolarHBondContact O-N 3.29Å; M230-F239 HydrophobicContact CE-CD2 4.21Å; M230-F239 HydrophobicContact CE-CE2 3.71Å; M230-F239 HydrophobicContact CE-CZ 4.26Å; M230-F239 HydrophobicContact CG-CE2 3.89Å; M230-F239 HydrophobicContact SD-CE2 3.77Å; M230-F239 HydrophobicContact SD-CZ 4.17Å; M230-I306 HydrophobicContact CG-CD1 4.44Å; M230-I306 HydrophobicContact SD-CD1 3.95Å; M230-I306 HydrophobicContact SD-CG1 3.64Å; M230-I315 HydrophobicContact CE-CG2 3.95Å; M230-I315 HydrophobicContact SD-CG2 3.79Å; M230-M336 HydrophobicContact SD-CE 4.31Å; M230-M336 HydrophobicContact SD-SD 4.4Å
231	E	96.9	Very high	96.9	Very high	78 Å²	78	35.1 Å²	35.1	36%	0.364	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.7	174	179	174	173	0	0	110.1	A182 I236 K263	A182-E231 VanDerWaalsContact CB-OE2 3.26Å; A182-E231 WeakPolarHBondContact CB-OE2 3.41Å; E231-I236 HydrophobicContact CB-CD1 3.79Å; E231-I236 HydrophobicContact CG-CD1 3.92Å; E231-K263 HydrophobicContact CG-CD 4.17Å; E231-K263 WeakPolarHBondContact OE1-CE 3.46Å; E231-K263 IonicContact OE1-NZ 3.74Å; E231-K263 PolarHBondContact OE1-NZ 3.14Å
232	W	96.4	Very high	97	Very high	64 Å²	64	34.2 Å²	34.2	24%	0.242	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	122.6	169.9	-170.9	82.5	0	0	0	110.9	H235 Y237 I306 D313 M336 A340	W232-H235 PolarHBondContact N-O 3.2Å; W232-H235 PolarHBondContact O-N 3.09Å; W232-Y237 HydrophobicContact CB-CD2 4.09Å; W232-Y237 HydrophobicContact CB-CE2 3.92Å; W232-Y237 HydrophobicContact CE3-CE2 4.02Å; W232-I306 HydrophobicContact CB-CD1 3.84Å; W232-I306 HydrophobicContact CG-CD1 4.02Å; W232-D313 PolarHBondContact NE1-OD2 3.44Å; W232-D313 VanDerWaalsContact NE1-OD2 3.15Å; W232-M336 HydrophobicContact CB-CE 3.76Å; W232-M336 HydrophobicContact CD2-CB 4.31Å; W232-M336 HydrophobicContact CD2-CE 4.03Å; W232-M336 HydrophobicContact CE3-CE 4.39Å; W232-M336 HydrophobicContact CG-CE 3.77Å; W232-M336 HydrophobicContact CZ2-CB 4.04Å; W232-A340 HydrophobicContact CH2-CB 4.25Å; W232-A340 HydrophobicContact CZ3-CB 3.66Å
233	G	94.2	Very high	97	Very high	50 Å²	50	32.2 Å²	32.2	52%	0.515	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-135.4	-173.6	0	0	0	0	0	112.3	H235	G233-H235 PolarHBondContact O-N 3.41Å
234	P	95.2	Very high	97	Very high	69 Å²	69	26.1 Å²	26.1	45%	0.448	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.6	179.7	35.1	-35.6	0	0	0	114	K263	P234-K263 PolarHBondContact O-N 3.27Å
235	H	97.7	Very high	96.7	Very high	17 Å²	17	26.5 Å²	26.5	8%	0.079	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.3	-172	-55.8	108.6	0	0	0	113.4	W232 G233 Y237 R260 V261 C262 C373	W232-H235 PolarHBondContact N-O 3.2Å; W232-H235 PolarHBondContact O-N 3.09Å; G233-H235 PolarHBondContact O-N 3.41Å; H235-Y237 HydrophobicContact CB-CD2 4.16Å; H235-Y237 HydrophobicContact CB-CE2 3.62Å; H235-R260 HydrophobicContact CB-CB 4.41Å; H235-R260 PolarHBondContact NE2-NE 3.09Å; H235-V261 CarbonylContact C-O 3.57Å; H235-V261 WeakPolarHBondContact CA-O 3.25Å; H235-V261 WeakPolarHBondContact CB-O 3.03Å; H235-C262 VanDerWaalsContact CD2-SG 3.54Å; H235-C373 PolarHBondContact NE2-SG 2.03Å; H235-C373 VanDerWaalsContact NE2-SG 3.43Å
236	I	98.3	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.9	157.4	-52.4	-53.7	0	0	0	108.2	L180 A182 F187 A229 E231 F238 R260 V261 K263	L180-I236 HydrophobicContact CD2-CD1 4.35Å; L180-I236 HydrophobicContact CD2-CG2 4.05Å; A182-I236 HydrophobicContact CB-CD1 3.59Å; F187-I236 HydrophobicContact CD1-CB 4.19Å; F187-I236 HydrophobicContact CD1-CG1 3.71Å; F187-I236 HydrophobicContact CD1-CG2 4.42Å; F187-I236 HydrophobicContact CD2-CG1 4.17Å; F187-I236 HydrophobicContact CE1-CB 4.36Å; F187-I236 HydrophobicContact CE1-CG1 3.62Å; F187-I236 HydrophobicContact CE2-CG1 4.12Å; F187-I236 HydrophobicContact CG-CG1 3.98Å; F187-I236 HydrophobicContact CZ-CG1 3.84Å; A229-I236 HydrophobicContact CB-CG2 4.35Å; E231-I236 HydrophobicContact CB-CD1 3.79Å; E231-I236 HydrophobicContact CG-CD1 3.92Å; I236-F238 HydrophobicContact CB-CE2 4.06Å; I236-F238 HydrophobicContact CG2-CD2 4.01Å; I236-F238 HydrophobicContact CG2-CE2 3.55Å; I236-F238 HydrophobicContact CG2-CZ 4.04Å; I236-R260 WeakPolarHBondContact O-CA 3.23Å; I236-V261 HydrophobicContact CB-CG2 4.13Å; I236-V261 PolarHBondContact N-O 2.8Å; I236-V261 PolarHBondContact O-N 2.84Å; I236-K263 HydrophobicContact CD1-CD 3.85Å; I236-K263 HydrophobicContact CD1-CG 3.82Å; I236-K263 HydrophobicContact CG1-CG 3.97Å
237	Y	98.6	Very high	95.6	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	175.3	-67.5	-93	0	0	0	110	A229 M230 W232 H235 V258 A259 R260 M336 L339 F343	A229-Y237 CarbonylContact C-O 3.56Å; A229-Y237 WeakPolarHBondContact CA-O 3.39Å; A229-Y237 VanDerWaalsContact CB-O 3.31Å; A229-Y237 WeakPolarHBondContact CB-O 3.43Å; M230-Y237 PolarHBondContact N-O 3.28Å; M230-Y237 PolarHBondContact O-N 3.29Å; W232-Y237 HydrophobicContact CB-CD2 4.09Å; W232-Y237 HydrophobicContact CB-CE2 3.92Å; W232-Y237 HydrophobicContact CE3-CE2 4.02Å; H235-Y237 HydrophobicContact CB-CD2 4.16Å; H235-Y237 HydrophobicContact CB-CE2 3.62Å; Y237-V258 HydrophobicContact CD1-CG2 3.9Å; Y237-A259 CarbonylContact C-O 3.6Å; Y237-A259 VanDerWaalsContact CA-O 3.26Å; Y237-A259 WeakPolarHBondContact CA-O 3.41Å; Y237-R260 HydrophobicContact CD1-CB 3.87Å; Y237-R260 HydrophobicContact CE1-CB 3.77Å; Y237-M336 HydrophobicContact CD2-CE 4.22Å; Y237-M336 HydrophobicContact CE2-CE 4.32Å; Y237-L339 HydrophobicContact CD1-CD2 3.59Å; Y237-L339 HydrophobicContact CE1-CD2 3.4Å; Y237-L339 VanDerWaalsContact CE1-CD2 3.4Å; Y237-F343 HydrophobicContact CD1-CE2 4.48Å; Y237-F343 AromaticContact CE1-CE2 3.99Å; Y237-F343 HydrophobicContact CE1-CE2 3.99Å
238	F	98.8	Very high	94.6	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.4	179.1	-71.4	-100.2	0	0	0	110.3	V178 F187 I201 A229 I236 V258 A259 V261	V178-F238 HydrophobicContact CG1-CD1 4.48Å; F187-F238 HydrophobicContact CB-CZ 4Å; F187-F238 HydrophobicContact CD1-CZ 4.34Å; I201-F238 HydrophobicContact CD1-CB 3.59Å; I201-F238 HydrophobicContact CD1-CD1 3.68Å; I201-F238 HydrophobicContact CD1-CD2 3.86Å; I201-F238 HydrophobicContact CD1-CE1 4.23Å; I201-F238 HydrophobicContact CD1-CE2 4.39Å; I201-F238 HydrophobicContact CD1-CG 3.45Å; I201-F238 VanDerWaalsContact CD1-CG 3.45Å; I201-F238 HydrophobicContact CG1-CD1 3.87Å; I201-F238 HydrophobicContact CG1-CE1 4.02Å; I201-F238 HydrophobicContact CG1-CG 4.15Å; I201-F238 HydrophobicContact CG1-CZ 4.42Å; I201-F238 HydrophobicContact CG2-CD1 4.44Å; I201-F238 HydrophobicContact CG2-CD2 4.19Å; I201-F238 HydrophobicContact CG2-CE1 3.95Å; I201-F238 HydrophobicContact CG2-CE2 3.66Å; I201-F238 HydrophobicContact CG2-CZ 3.51Å; A229-F238 HydrophobicContact CB-CD1 3.75Å; A229-F238 HydrophobicContact CB-CE1 4.06Å; A229-F238 HydrophobicContact CB-CG 4.11Å; I236-F238 HydrophobicContact CB-CE2 4.06Å; I236-F238 HydrophobicContact CG2-CD2 4.01Å; I236-F238 HydrophobicContact CG2-CE2 3.55Å; I236-F238 HydrophobicContact CG2-CZ 4.04Å; F238-V258 CarbonylContact O-C 3.59Å; F238-V258 WeakPolarHBondContact O-CA 3.47Å; F238-A259 PolarHBondContact N-O 2.9Å; F238-A259 PolarHBondContact O-N 3.34Å; F238-V261 HydrophobicContact CE2-CG2 3.9Å
239	F	98.8	Very high	93.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.1	-178.6	-65	-96.1	0	0	0	109.5	V227 S228 M230 V258 L285 L300 T303 I315 L339	V227-F239 WeakPolarHBondContact CB-O 3.49Å; V227-F239 PolarHBondContact N-O 2.93Å; S228-F239 PolarHBondContact N-O 2.91Å; S228-F239 PolarHBondContact O-N 2.94Å; S228-F239 WeakPolarHBondContact OG-CB 3.1Å; M230-F239 HydrophobicContact CE-CD2 4.21Å; M230-F239 HydrophobicContact CE-CE2 3.71Å; M230-F239 HydrophobicContact CE-CZ 4.26Å; M230-F239 HydrophobicContact CG-CE2 3.89Å; M230-F239 HydrophobicContact SD-CE2 3.77Å; M230-F239 HydrophobicContact SD-CZ 4.17Å; F239-V258 HydrophobicContact CD1-CB 4.04Å; F239-V258 HydrophobicContact CD1-CG2 4.12Å; F239-V258 HydrophobicContact CE1-CB 3.76Å; F239-V258 HydrophobicContact CE1-CG2 3.61Å; F239-V258 HydrophobicContact CE2-CG2 4.07Å; F239-V258 HydrophobicContact CZ-CB 4.25Å; F239-V258 HydrophobicContact CZ-CG2 3.57Å; F239-L285 HydrophobicContact CD1-CD1 3.95Å; F239-L285 HydrophobicContact CE1-CD1 4.38Å; F239-L285 HydrophobicContact CE1-CD2 4.49Å; F239-L300 HydrophobicContact CB-CD2 3.84Å; F239-L300 HydrophobicContact CD1-CD2 4.44Å; F239-T303 HydrophobicContact CB-CG2 4.12Å; F239-T303 HydrophobicContact CD1-CG2 3.99Å; F239-T303 HydrophobicContact CG-CG2 3.94Å; F239-I315 HydrophobicContact CE1-CD1 3.45Å; F239-I315 VanDerWaalsContact CE1-CD1 3.45Å; F239-I315 HydrophobicContact CE2-CD1 4.41Å; F239-I315 HydrophobicContact CZ-CD1 3.37Å; F239-L339 HydrophobicContact CE1-CD1 4.23Å; F239-L339 HydrophobicContact CZ-CD1 4.22Å
240	F	98.6	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	171.9	-175.3	63.7	-79.1	0	0	0	110.6	F221 P224 Y225 F226 E242 R257 A259 K282	F221-F240 AromaticContact CD1-CE2 3.93Å; F221-F240 HydrophobicContact CD1-CE2 3.93Å; F221-F240 HydrophobicContact CD1-CZ 4.29Å; F221-F240 HydrophobicContact CE1-CD2 4.29Å; F221-F240 HydrophobicContact CE1-CE1 4.32Å; F221-F240 AromaticContact CE1-CE2 3.72Å; F221-F240 HydrophobicContact CE1-CE2 3.72Å; F221-F240 AromaticContact CE1-CZ 3.73Å; F221-F240 HydrophobicContact CE1-CZ 3.73Å; P224-F240 HydrophobicContact CB-CD2 3.96Å; P224-F240 HydrophobicContact CB-CE2 4.46Å; Y225-F240 CarbonylContact O-C 3.55Å; Y225-F240 VanDerWaalsContact O-CA 3.27Å; Y225-F240 WeakPolarHBondContact O-CA 3.42Å; Y225-F240 VanDerWaalsContact O-CB 3.29Å; Y225-F240 WeakPolarHBondContact O-CB 3.21Å; F226-F240 HydrophobicContact CD1-CB 3.93Å; F226-F240 HydrophobicContact CD1-CG 4.41Å; F240-E242 HydrophobicContact CD2-CB 4.18Å; F240-E242 HydrophobicContact CE2-CB 4.07Å; F240-E242 HydrophobicContact CE2-CG 4.06Å; F240-R257 HydrophobicContact CD1-CB 4.04Å; F240-R257 HydrophobicContact CD2-CB 4.12Å; F240-R257 HydrophobicContact CD2-CG 4.35Å; F240-R257 HydrophobicContact CE1-CB 3.65Å; F240-R257 HydrophobicContact CE1-CG 4.5Å; F240-R257 HydrophobicContact CE2-CB 3.75Å; F240-R257 HydrophobicContact CE2-CG 3.77Å; F240-R257 HydrophobicContact CG-CB 4.26Å; F240-R257 HydrophobicContact CZ-CB 3.5Å; F240-R257 VanDerWaalsContact CZ-CB 3.5Å; F240-R257 HydrophobicContact CZ-CG 3.86Å; F240-R257 PolarHBondContact N-O 2.81Å; F240-R257 VanDerWaalsContact N-O 3.16Å; F240-R257 PolarHBondContact O-N 3.1Å; F240-A259 HydrophobicContact CE1-CB 3.73Å; F240-A259 HydrophobicContact CZ-CB 4.41Å; F240-K282 HydrophobicContact CZ-CB 4.4Å; F240-K282 HydrophobicContact CZ-CD 4.03Å
241	R	97.8	Very high	91.1	Very high	29 Å²	29	45.2 Å²	45.2	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	168.7	58.7	-175.8	-171.1	-96.6	-4.9	109.6	P224 Y225 M254 V255 L300	P224-R241 CarbonylContact C-O 3.59Å; P224-R241 WeakPolarHBondContact CA-O 3.36Å; Y225-R241 VanDerWaalsContact CD1-NH1 3.34Å; Y225-R241 VanDerWaalsContact CE1-NH2 3.28Å; Y225-R241 VanDerWaalsContact CG-NH2 3.33Å; Y225-R241 PolarHBondContact N-O 3.47Å; Y225-R241 PolarHBondContact O-N 2.79Å; R241-M254 HydrophobicContact CB-CE 3.97Å; R241-M254 HydrophobicContact CG-CE 3.77Å; R241-V255 CarbonylContact C-O 3.57Å; R241-V255 WeakPolarHBondContact CA-O 3.1Å; R241-V255 WeakPolarHBondContact CB-O 3.46Å; R241-L300 PolarHBondContact NH1-O 3.17Å
242	E	96.4	Very high	90.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167.5	-175.9	69.3	171.1	178.6	0	0	111.2	R222 P224 F240 A244 M254 V255 R257 K282	R222-E242 WeakPolarHBondContact O-CB 3.02Å; P224-E242 HydrophobicContact CB-CB 4.31Å; F240-E242 HydrophobicContact CD2-CB 4.18Å; F240-E242 HydrophobicContact CE2-CB 4.07Å; F240-E242 HydrophobicContact CE2-CG 4.06Å; E242-A244 PolarHBondContact O-N 3.46Å; E242-M254 CarbonylContact O-C 3.56Å; E242-M254 WeakPolarHBondContact O-CA 3.5Å; E242-V255 PolarHBondContact N-O 2.89Å; E242-V255 PolarHBondContact O-N 2.99Å; E242-R257 HydrophobicContact CG-CG 3.87Å; E242-R257 IonicContact OE1-CZ 3.96Å; E242-R257 IonicContact OE1-NE 3.35Å; E242-R257 PolarHBondContact OE1-NE 2.85Å; E242-R257 IonicContact OE1-NH2 3.35Å; E242-R257 PolarHBondContact OE1-NH2 3.31Å; E242-K282 VanDerWaalsContact OE1-CE 3.29Å; E242-K282 WeakPolarHBondContact OE1-CE 3.33Å; E242-K282 IonicContact OE1-NZ 2.78Å; E242-K282 PolarHBondContact OE1-NZ 2.86Å; E242-K282 IonicContact OE2-NZ 2.85Å; E242-K282 PolarHBondContact OE2-NZ 3.17Å
243	M	94.6	Very high	90.3	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.059	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.3	169.6	-72	-68.2	-65.7	0	0	110	R222 E223 K252 M254	R222-M243 HydrophobicContact CB-CB 4.05Å; R222-M243 HydrophobicContact CG-CB 3.73Å; R222-M243 WeakPolarHBondContact O-CB 3.19Å; R222-M243 PolarHBondContact O-N 2.81Å; E223-M243 HydrophobicContact CB-CG 3.99Å; M243-K252 HydrophobicContact CE-CB 3.44Å; M243-K252 VanDerWaalsContact CE-CB 3.44Å; M243-K252 HydrophobicContact CE-CD 3.85Å; M243-K252 HydrophobicContact CE-CG 3.51Å; M243-M254 HydrophobicContact CB-SD 4.42Å; M243-M254 HydrophobicContact CG-SD 3.68Å; M243-M254 HydrophobicContact SD-CG 3.78Å; M243-M254 HydrophobicContact SD-SD 3.49Å
244	A	93.3	Very high	90.2	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	23%	0.23	C	C	.	.			trans	-61.8	144.6	-179	0	0	0	0	0	111.6	R222 E242 E246 F247 V253 V255	R222-A244 PolarHBondContact NH1-O 2.66Å; R222-A244 VanDerWaalsContact NH1-O 3.12Å; E242-A244 PolarHBondContact O-N 3.46Å; A244-E246 WeakPolarHBondContact CB-OE2 3.08Å; A244-F247 HydrophobicContact CB-CB 4.17Å; A244-F247 HydrophobicContact CB-CD2 3.64Å; A244-F247 HydrophobicContact CB-CG 4.33Å; A244-V253 VanDerWaalsContact CB-O 3.29Å; A244-V253 WeakPolarHBondContact CB-O 3.22Å; A244-V253 PolarHBondContact N-O 2.71Å; A244-V255 HydrophobicContact CB-CG1 4.02Å; A244-V255 HydrophobicContact CB-CG2 3.84Å
245	M	89.3	Confident	90.3	Very high	31 Å²	31	44.1 Å²	44.1	15%	0.153	21%	0.209	C	C	.	.	S	Bend	trans	-100.6	-31.4	170.6	-75.7	-64.4	-67.8	0	0	110.7	F247 H248 W357	M245-F247 PolarHBondContact O-N 3.22Å; M245-H248 PolarHBondContact O-N 3.26Å; M245-W357 HydrophobicContact CB-CH2 4.24Å; M245-W357 HydrophobicContact CB-CZ2 3.72Å; M245-W357 PolarHBondContact O-NE1 2.87Å
246	E	89.1	Confident	90.3	Very high	25 Å²	25	43.3 Å²	43.3	12%	0.117	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.8	176.8	65.9	-91.8	-130.9	0	0	114.1	A244 R257 W357	A244-E246 WeakPolarHBondContact CB-OE2 3.08Å; E246-R257 IonicContact OE1-CZ 3.48Å; E246-R257 VanDerWaalsContact OE1-CZ 3.29Å; E246-R257 IonicContact OE1-NH1 2.92Å; E246-R257 PolarHBondContact OE1-NH1 2.72Å; E246-R257 IonicContact OE1-NH2 3.82Å; E246-R257 PolarHBondContact OE1-NH2 3.33Å; E246-R257 IonicContact OE2-CZ 2.66Å; E246-R257 IonicContact OE2-NH1 3.19Å; E246-R257 IonicContact OE2-NH2 2.73Å; E246-R257 PolarHBondContact OE2-NH2 2.83Å; E246-W357 HydrophobicContact CB-CB 4.35Å; E246-W357 HydrophobicContact CB-CD2 4.3Å; E246-W357 HydrophobicContact CB-CG 4.06Å
247	F	84.6	Confident	90.3	Very high	58 Å²	58	43.4 Å²	43.4	25%	0.254	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	19.3	179	-59.3	-52.7	0	0	0	113.6	A244 M245 H249 L250 V253 V255	A244-F247 HydrophobicContact CB-CB 4.17Å; A244-F247 HydrophobicContact CB-CD2 3.64Å; A244-F247 HydrophobicContact CB-CG 4.33Å; M245-F247 PolarHBondContact O-N 3.22Å; F247-H249 PolarHBondContact O-N 2.88Å; F247-L250 HydrophobicContact CD1-CD1 4.34Å; F247-L250 PolarHBondContact O-N 2.83Å; F247-V253 HydrophobicContact CB-CB 4.07Å; F247-V253 HydrophobicContact CB-CG2 3.97Å; F247-V253 HydrophobicContact CD2-CB 4.19Å; F247-V253 HydrophobicContact CD2-CG1 4.02Å; F247-V253 HydrophobicContact CG-CB 4.49Å; F247-V255 HydrophobicContact CD2-CG1 4.16Å; F247-V255 HydrophobicContact CE2-CG1 3.99Å
248	H	75.3	Confident	90.3	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.486	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.8	-174.8	-163.7	-74	0	0	0	114.7	R222 M245	R222-H248 PolarHBondContact NH2-NE2 2.81Å; M245-H248 PolarHBondContact O-N 3.26Å
249	H	76	Confident	90.3	Very high	109 Å²	109	43.3 Å²	43.3	51%	0.505	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.7	178.2	-45	-85	0	0	0	113.9	F247	F247-H249 PolarHBondContact O-N 2.88Å
250	L	70.2	Confident	90.2	Very high	126 Å²	126	44 Å²	44	66%	0.66	21%	0.208	S	C	*	.	S	Bend	trans	-115.9	41.1	-171.7	-65	172.8	0	0	0	111.6	F247 V253	F247-L250 HydrophobicContact CD1-CD1 4.34Å; F247-L250 PolarHBondContact O-N 2.83Å; L250-V253 WeakPolarHBondContact O-CG2 3.26Å
251	E	73.6	Confident	90.2	Very high	169 Å²	169	44 Å²	44	79%	0.79	21%	0.208	S	C	*	.	S	Bend	trans	64.7	-172.4	-175.6	-138.9	-162.4	135.2	0	0	114.9	V253	E251-V253 PolarHBondContact O-N 2.79Å
252	K	84.1	Confident	90.2	Very high	147 Å²	147	42.6 Å²	42.6	64%	0.639	20%	0.203	S	C	*	.	S	Bend	trans	-81.1	71.2	-171.3	-84.5	-167.4	165.3	-158.9	0	112.4	M243 M254	M243-K252 HydrophobicContact CE-CB 3.44Å; M243-K252 VanDerWaalsContact CE-CB 3.44Å; M243-K252 HydrophobicContact CE-CD 3.85Å; M243-K252 HydrophobicContact CE-CG 3.51Å; K252-M254 PolarHBondContact O-N 3.39Å
253	V	91	Very high	90.2	Very high	41 Å²	41	44 Å²	44	25%	0.248	21%	0.209	C	C	.	.			trans	-78.1	117.7	179.8	-172.4	0	0	0	0	112.1	A244 F247 L250 E251 V255	A244-V253 VanDerWaalsContact CB-O 3.29Å; A244-V253 WeakPolarHBondContact CB-O 3.22Å; A244-V253 PolarHBondContact N-O 2.71Å; F247-V253 HydrophobicContact CB-CB 4.07Å; F247-V253 HydrophobicContact CB-CG2 3.97Å; F247-V253 HydrophobicContact CD2-CB 4.19Å; F247-V253 HydrophobicContact CD2-CG1 4.02Å; F247-V253 HydrophobicContact CG-CB 4.49Å; L250-V253 WeakPolarHBondContact O-CG2 3.26Å; E251-V253 PolarHBondContact O-N 2.79Å; V253-V255 HydrophobicContact CG1-CG1 4.03Å
254	M	93.6	Very high	90.1	Very high	49 Å²	49	46.4 Å²	46.4	24%	0.241	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.1	162.5	-77.9	-70	-65.1	0	0	110.5	R241 E242 M243 K252 N298 L299	R241-M254 HydrophobicContact CB-CE 3.97Å; R241-M254 HydrophobicContact CG-CE 3.77Å; E242-M254 CarbonylContact O-C 3.56Å; E242-M254 WeakPolarHBondContact O-CA 3.5Å; M243-M254 HydrophobicContact CB-SD 4.42Å; M243-M254 HydrophobicContact CG-SD 3.68Å; M243-M254 HydrophobicContact SD-CG 3.78Å; M243-M254 HydrophobicContact SD-SD 3.49Å; K252-M254 PolarHBondContact O-N 3.39Å; M254-N298 WeakPolarHBondContact O-CB 3.45Å; M254-L299 HydrophobicContact CB-CD2 3.62Å; M254-L299 HydrophobicContact CG-CD2 4.34Å
255	V	96.1	Very high	90.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.7	175.3	-65.9	0	0	0	0	112	R241 E242 A244 F247 V253 N298	R241-V255 CarbonylContact C-O 3.57Å; R241-V255 WeakPolarHBondContact CA-O 3.1Å; R241-V255 WeakPolarHBondContact CB-O 3.46Å; E242-V255 PolarHBondContact N-O 2.89Å; E242-V255 PolarHBondContact O-N 2.99Å; A244-V255 HydrophobicContact CB-CG1 4.02Å; A244-V255 HydrophobicContact CB-CG2 3.84Å; F247-V255 HydrophobicContact CD2-CG1 4.16Å; F247-V255 HydrophobicContact CE2-CG1 3.99Å; V253-V255 HydrophobicContact CG1-CG1 4.03Å; V255-N298 CarbonylContact C-O 3.54Å
256	S	98.3	Very high	90.6	Very high	1 Å²	1	48 Å²	48	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.4	173.8	-64.9	0	0	0	0	112.2	L285 N298 L300	S256-L285 PolarHBondContact O-N 2.89Å; S256-N298 PolarHBondContact N-O 2.88Å; S256-N298 VanDerWaalsContact N-O 3.14Å; S256-N298 PolarHBondContact OG-O 3.46Å; S256-L300 VanDerWaalsContact OG-CB 3.27Å; S256-L300 WeakPolarHBondContact OG-CB 3.2Å; S256-L300 PolarHBondContact OG-N 2.7Å
257	R	98.3	Very high	90.9	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.8	-174.5	-62.2	-64.8	-162.7	-148.7	-7.5	111.3	F240 E242 E246 A283	F240-R257 HydrophobicContact CD1-CB 4.04Å; F240-R257 HydrophobicContact CD2-CB 4.12Å; F240-R257 HydrophobicContact CD2-CG 4.35Å; F240-R257 HydrophobicContact CE1-CB 3.65Å; F240-R257 HydrophobicContact CE1-CG 4.5Å; F240-R257 HydrophobicContact CE2-CB 3.75Å; F240-R257 HydrophobicContact CE2-CG 3.77Å; F240-R257 HydrophobicContact CG-CB 4.26Å; F240-R257 HydrophobicContact CZ-CB 3.5Å; F240-R257 VanDerWaalsContact CZ-CB 3.5Å; F240-R257 HydrophobicContact CZ-CG 3.86Å; F240-R257 PolarHBondContact N-O 2.81Å; F240-R257 VanDerWaalsContact N-O 3.16Å; F240-R257 PolarHBondContact O-N 3.1Å; E242-R257 HydrophobicContact CG-CG 3.87Å; E242-R257 IonicContact OE1-CZ 3.96Å; E242-R257 IonicContact OE1-NE 3.35Å; E242-R257 PolarHBondContact OE1-NE 2.85Å; E242-R257 IonicContact OE1-NH2 3.35Å; E242-R257 PolarHBondContact OE1-NH2 3.31Å; E246-R257 IonicContact OE1-CZ 3.48Å; E246-R257 VanDerWaalsContact OE1-CZ 3.29Å; E246-R257 IonicContact OE1-NH1 2.92Å; E246-R257 PolarHBondContact OE1-NH1 2.72Å; E246-R257 IonicContact OE1-NH2 3.82Å; E246-R257 PolarHBondContact OE1-NH2 3.33Å; E246-R257 IonicContact OE2-CZ 2.66Å; E246-R257 IonicContact OE2-NH1 3.19Å; E246-R257 IonicContact OE2-NH2 2.73Å; E246-R257 PolarHBondContact OE2-NH2 2.83Å; R257-A283 VanDerWaalsContact CA-O 3.29Å; R257-A283 WeakPolarHBondContact CA-O 3.43Å; R257-A283 WeakPolarHBondContact CD-O 3.24Å
258	V	98.7	Very high	91.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.7	151.9	58.5	0	0	0	0	108.1	Y237 F238 F239 K282 A283 L285 L339 F343 V404	Y237-V258 HydrophobicContact CD1-CG2 3.9Å; F238-V258 CarbonylContact O-C 3.59Å; F238-V258 WeakPolarHBondContact O-CA 3.47Å; F239-V258 HydrophobicContact CD1-CB 4.04Å; F239-V258 HydrophobicContact CD1-CG2 4.12Å; F239-V258 HydrophobicContact CE1-CB 3.76Å; F239-V258 HydrophobicContact CE1-CG2 3.61Å; F239-V258 HydrophobicContact CE2-CG2 4.07Å; F239-V258 HydrophobicContact CZ-CB 4.25Å; F239-V258 HydrophobicContact CZ-CG2 3.57Å; V258-K282 CarbonylContact O-C 3.55Å; V258-K282 VanDerWaalsContact O-CA 3.31Å; V258-K282 WeakPolarHBondContact O-CA 3.41Å; V258-A283 PolarHBondContact N-O 3.13Å; V258-A283 VanDerWaalsContact N-O 3.09Å; V258-A283 PolarHBondContact O-N 2.85Å; V258-L285 HydrophobicContact CB-CD2 4.07Å; V258-L285 HydrophobicContact CB-CG 4.34Å; V258-L285 HydrophobicContact CG1-CD2 3.75Å; V258-L285 HydrophobicContact CG1-CG 4.27Å; V258-L339 HydrophobicContact CG1-CD1 4.2Å; V258-L339 HydrophobicContact CG1-CD2 4.39Å; V258-L339 HydrophobicContact CG1-CG 4.17Å; V258-L339 HydrophobicContact CG2-CD1 4.42Å; V258-L339 HydrophobicContact CG2-CD2 4.23Å; V258-F343 HydrophobicContact CG1-CE2 4.44Å; V258-F343 HydrophobicContact CG1-CZ 4.18Å; V258-V404 HydrophobicContact CG1-CG2 3.91Å
259	A	98.5	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.3	167.4	0	0	0	0	0	110.7	Y237 F238 F240 F280 L281 K282	Y237-A259 CarbonylContact C-O 3.6Å; Y237-A259 VanDerWaalsContact CA-O 3.26Å; Y237-A259 WeakPolarHBondContact CA-O 3.41Å; F238-A259 PolarHBondContact N-O 2.9Å; F238-A259 PolarHBondContact O-N 3.34Å; F240-A259 HydrophobicContact CE1-CB 3.73Å; F240-A259 HydrophobicContact CZ-CB 4.41Å; A259-F280 HydrophobicContact CB-CD2 4.3Å; A259-F280 HydrophobicContact CB-CE2 3.67Å; A259-F280 HydrophobicContact CB-CZ 4.3Å; A259-L281 CarbonylContact C-O 3.49Å; A259-L281 WeakPolarHBondContact CA-O 3.46Å; A259-L281 VanDerWaalsContact CB-O 3.26Å; A259-L281 WeakPolarHBondContact CB-O 3.49Å; A259-K282 HydrophobicContact CB-CB 3.87Å
260	R	97.8	Very high	93.2	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.057	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.6	170.2	79.4	178.5	-166.5	-171.3	1.7	111.2	H235 I236 Y237 F280 L281 F343 G371	H235-R260 HydrophobicContact CB-CB 4.41Å; H235-R260 PolarHBondContact NE2-NE 3.09Å; I236-R260 WeakPolarHBondContact O-CA 3.23Å; Y237-R260 HydrophobicContact CD1-CB 3.87Å; Y237-R260 HydrophobicContact CE1-CB 3.77Å; R260-F280 WeakPolarHBondContact O-CA 3.45Å; R260-L281 PolarHBondContact N-O 3.41Å; R260-L281 PolarHBondContact O-N 2.68Å; R260-F343 HydrophobicContact CB-CZ 4.33Å; R260-F343 HydrophobicContact CG-CD1 4.11Å; R260-F343 HydrophobicContact CG-CD2 4.48Å; R260-F343 HydrophobicContact CG-CE1 4.14Å; R260-F343 HydrophobicContact CG-CG 4.27Å; R260-F343 HydrophobicContact CG-CZ 4.34Å; R260-F343 VanDerWaalsContact CZ-CB 3.42Å; R260-F343 VanDerWaalsContact NH1-CB 3.31Å; R260-G371 PolarHBondContact NH2-O 3.29Å
261	V	98.4	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.6	163.2	-63.8	0	0	0	0	108.8	F187 H235 I236 F238 W277 F280	F187-V261 HydrophobicContact CD1-CG2 4.4Å; F187-V261 HydrophobicContact CE1-CG2 4.2Å; H235-V261 CarbonylContact C-O 3.57Å; H235-V261 WeakPolarHBondContact CA-O 3.25Å; H235-V261 WeakPolarHBondContact CB-O 3.03Å; I236-V261 HydrophobicContact CB-CG2 4.13Å; I236-V261 PolarHBondContact N-O 2.8Å; I236-V261 PolarHBondContact O-N 2.84Å; F238-V261 HydrophobicContact CE2-CG2 3.9Å; V261-W277 HydrophobicContact CB-CD2 4.25Å; V261-W277 HydrophobicContact CB-CE3 3.85Å; V261-W277 HydrophobicContact CB-CH2 4.35Å; V261-W277 HydrophobicContact CB-CZ3 3.89Å; V261-W277 HydrophobicContact CG1-CD2 3.83Å; V261-W277 HydrophobicContact CG1-CE3 3.94Å; V261-W277 HydrophobicContact CG1-CG 4.14Å; V261-W277 HydrophobicContact CG1-CZ3 4.37Å; V261-W277 HydrophobicContact CG2-CE3 4.38Å; V261-W277 HydrophobicContact CG2-CH2 3.98Å; V261-W277 HydrophobicContact CG2-CZ2 4.38Å; V261-W277 HydrophobicContact CG2-CZ3 3.98Å; V261-F280 HydrophobicContact CG1-CB 4.09Å; V261-F280 HydrophobicContact CG1-CD2 4.07Å
262	C	97.1	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.9	175	-66.4	0	0	0	0	111.1	H235 S264 D265 T279 C373	H235-C262 VanDerWaalsContact CD2-SG 3.54Å; C262-S264 PolarHBondContact O-N 3.31Å; C262-D265 HydrophobicContact CB-CB 4.48Å; C262-D265 WeakPolarHBondContact O-CB 3.49Å; C262-D265 PolarHBondContact O-N 2.95Å; C262-T279 HydrophobicContact CB-CG2 3.85Å; C262-T279 PolarHBondContact N-OG1 2.65Å; C262-T279 VanDerWaalsContact SG-CG2 3.58Å; C262-C373 HydrophobicContact CB-CB 3.79Å; C262-C373 WeakPolarHBondContact CB-SG 3.22Å; C262-C373 WeakPolarHBondContact SG-CA 3.25Å; C262-C373 WeakPolarHBondContact SG-CB 3.43Å; C262-C373 PolarHBondContact SG-N 2.96Å; C262-C373 VanDerWaalsContact SG-N 3.4Å; C262-C373 CovalentContact SG-SG 2.03Å; C262-C373 PolarHBondContact SG-SG 3.43Å
263	K	95.6	Very high	96.1	Very high	31 Å²	31	32.3 Å²	32.3	14%	0.135	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.6	177.1	-64.6	-165.4	-62.2	160.6	0	111.9	A182 D183 R203 E231 P234 I236	A182-K263 HydrophobicContact CB-CD 4.21Å; D183-K263 IonicContact OD1-NZ 3.6Å; D183-K263 PolarHBondContact OD1-NZ 3.34Å; D183-K263 WeakPolarHBondContact OD2-CB 3.21Å; D183-K263 VanDerWaalsContact OD2-CD 3.23Å; D183-K263 WeakPolarHBondContact OD2-CD 3.45Å; D183-K263 WeakPolarHBondContact OD2-CE 3.48Å; D183-K263 IonicContact OD2-NZ 3.89Å; D183-K263 PolarHBondContact OD2-NZ 3.06Å; R203-K263 PolarHBondContact NH1-O 2.98Å; E231-K263 HydrophobicContact CG-CD 4.17Å; E231-K263 WeakPolarHBondContact OE1-CE 3.46Å; E231-K263 IonicContact OE1-NZ 3.74Å; E231-K263 PolarHBondContact OE1-NZ 3.14Å; P234-K263 PolarHBondContact O-N 3.27Å; I236-K263 HydrophobicContact CD1-CD 3.85Å; I236-K263 HydrophobicContact CD1-CG 3.82Å; I236-K263 HydrophobicContact CG1-CG 3.97Å
264	S	93.8	Very high	96.3	Very high	63 Å²	63	34.6 Å²	34.6	44%	0.441	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.5	-178.4	57.4	0	0	0	0	116	C262 L266	C262-S264 PolarHBondContact O-N 3.31Å; S264-L266 PolarHBondContact O-N 3.36Å
265	D	96.1	Very high	96.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	18%	0.182	C	C	.	.			trans	-61.8	133.8	174.5	-163.2	-26.7	0	0	0	110	R203 L211 C262 G267 W277 T278 T279 S383	R203-D265 PolarHBondContact NH1-O 3.24Å; R203-D265 PolarHBondContact NH2-O 2.99Å; L211-D265 HydrophobicContact CD1-CB 3.9Å; L211-D265 WeakPolarHBondContact CD1-O 3.4Å; C262-D265 HydrophobicContact CB-CB 4.48Å; C262-D265 WeakPolarHBondContact O-CB 3.49Å; C262-D265 PolarHBondContact O-N 2.95Å; D265-G267 PolarHBondContact OD1-N 2.88Å; D265-W277 HydrophobicContact CB-CE3 3.92Å; D265-W277 HydrophobicContact CB-CZ3 3.97Å; D265-T278 PolarHBondContact OD1-OG1 3.24Å; D265-T278 PolarHBondContact OD2-N 2.92Å; D265-T278 PolarHBondContact OD2-OG1 2.97Å; D265-T279 HydrophobicContact CB-CG2 4.42Å; D265-T279 WeakPolarHBondContact OD2-CB 3.25Å; D265-T279 WeakPolarHBondContact OD2-CG2 3.39Å; D265-T279 PolarHBondContact OD2-N 3.34Å; D265-T279 PolarHBondContact OD2-OG1 3.22Å; D265-S383 PolarHBondContact OD1-OG 2.83Å
266	L	95.8	Very high	96.5	Very high	66 Å²	66	41 Å²	41	35%	0.346	19%	0.193	S	C	.	.			trans	-112.4	3	178.3	-59.2	179.9	0	0	0	112.6	P209 S264 T382 S383 T384	P209-L266 HydrophobicContact CG-CB 4.21Å; P209-L266 HydrophobicContact CG-CD2 3.97Å; S264-L266 PolarHBondContact O-N 3.36Å; L266-T382 HydrophobicContact CD1-CG2 3.97Å; L266-S383 WeakPolarHBondContact CA-OG 3.25Å; L266-S383 WeakPolarHBondContact CB-OG 3.3Å; L266-S383 PolarHBondContact N-OG 3.26Å; L266-T384 HydrophobicContact CB-CG2 4.26Å
267	G	96.3	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.			trans	90.8	171.2	-171.4	0	0	0	0	0	113	D265 Q276 S383 T384	D265-G267 PolarHBondContact OD1-N 2.88Å; G267-Q276 WeakPolarHBondContact CA-O 3.43Å; G267-S383 PolarHBondContact N-OG 2.85Å; G267-S383 CarbonylContact O-C 3.53Å; G267-S383 VanDerWaalsContact O-C 3.29Å; G267-S383 VanDerWaalsContact O-CB 3.28Å; G267-S383 WeakPolarHBondContact O-CB 3.36Å; G267-S383 PolarHBondContact O-OG 2.84Å; G267-T384 WeakPolarHBondContact O-CG2 3.24Å; G267-T384 PolarHBondContact O-N 2.85Å
268	G	95.8	Very high	96.5	Very high	6 Å²	6	41 Å²	41	6%	0.062	19%	0.193	C	C	.	.			trans	-80.9	-168.1	-176.1	0	0	0	0	0	114.8	V272 L273 T278	G268-V272 CarbonylContact C-O 3.57Å; G268-V272 WeakPolarHBondContact CA-O 3.4Å; G268-L273 WeakPolarHBondContact CA-O 3.39Å; G268-L273 PolarHBondContact N-O 2.82Å; G268-T278 VanDerWaalsContact CA-CG2 3.43Å; G268-T278 VanDerWaalsContact N-CG2 3.25Å
269	S	94.7	Very high	96.4	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.098	20%	0.195	C	C	.	.			trans	-71.4	164.8	175.4	79.7	0	0	0	0	110.9	R271 V272 D388	S269-R271 PolarHBondContact O-N 2.85Å; S269-R271 PolarHBondContact OG-N 2.86Å; S269-V272 PolarHBondContact N-O 3.36Å; S269-V272 CarbonylContact O-C 3.52Å; S269-V272 PolarHBondContact O-N 2.85Å; S269-V272 VanDerWaalsContact O-O 3.08Å; S269-V272 PolarHBondContact OG-N 2.83Å; S269-D388 PolarHBondContact OG-OD1 2.81Å
270	Q	93.7	Very high	96.4	Very high	177 Å²	177	41.2 Å²	41.2	83%	0.827	20%	0.195	S	C	*	.	S	Bend	trans	-57.9	-15.5	173.7	-167.6	-179.6	8.8	0	0	113.3
271	R	95.3	Very high	96.5	Very high	195 Å²	195	40.5 Å²	40.5	74%	0.736	19%	0.192	S	C	*	.	S	Bend	trans	-98.8	-29.5	-179.5	-60.3	-179.9	-58.4	-140.6	-2.8	112.8	S269 D388	S269-R271 PolarHBondContact O-N 2.85Å; S269-R271 PolarHBondContact OG-N 2.86Å; R271-D388 VanDerWaalsContact CB-OD2 3.3Å; R271-D388 WeakPolarHBondContact CB-OD2 3.42Å; R271-D388 IonicContact CZ-OD1 3.76Å; R271-D388 IonicContact CZ-OD2 3.23Å; R271-D388 IonicContact NE-OD1 2.73Å; R271-D388 PolarHBondContact NE-OD1 3.11Å; R271-D388 IonicContact NE-OD2 2.72Å; R271-D388 PolarHBondContact NE-OD2 3.09Å; R271-D388 IonicContact NH2-OD1 2.8Å; R271-D388 PolarHBondContact NH2-OD1 2.86Å; R271-D388 IonicContact NH2-OD2 2.74Å; R271-D388 PolarHBondContact NH2-OD2 3.16Å
272	V	96.6	Very high	96.5	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	19%	0.193	C	C	.	.	S	Bend	trans	-144.9	125.8	-171.1	-167.3	0	0	0	0	110.7	G268 S269 E274 D388 L391 N392	G268-V272 CarbonylContact C-O 3.57Å; G268-V272 WeakPolarHBondContact CA-O 3.4Å; S269-V272 PolarHBondContact N-O 3.36Å; S269-V272 CarbonylContact O-C 3.52Å; S269-V272 PolarHBondContact O-N 2.85Å; S269-V272 VanDerWaalsContact O-O 3.08Å; S269-V272 PolarHBondContact OG-N 2.83Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.81Å; V272-D388 HydrophobicContact CG2-CB 3.95Å; V272-L391 HydrophobicContact CB-CB 3.81Å; V272-L391 HydrophobicContact CB-CD1 4.23Å; V272-L391 HydrophobicContact CG1-CB 3.56Å; V272-N392 WeakPolarHBondContact CG1-OD1 3.42Å
273	L	96.3	Very high	96.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	59.8	29.2	179.7	-62.9	168.9	0	0	0	115.1	V214 W220 G268 K275 Q276 L391 V394 K395	V214-L273 HydrophobicContact CG2-CD2 3.83Å; W220-L273 HydrophobicContact CH2-CD2 4.35Å; W220-L273 HydrophobicContact CZ2-CD2 4.09Å; G268-L273 WeakPolarHBondContact CA-O 3.39Å; G268-L273 PolarHBondContact N-O 2.82Å; L273-K275 PolarHBondContact O-N 2.96Å; L273-Q276 HydrophobicContact CB-CB 4.11Å; L273-Q276 HydrophobicContact CD2-CB 3.84Å; L273-Q276 PolarHBondContact O-N 2.84Å; L273-Q276 VanDerWaalsContact O-O 3.1Å; L273-L391 HydrophobicContact CD1-CB 4.31Å; L273-L391 HydrophobicContact CD1-CD2 4.25Å; L273-L391 VanDerWaalsContact CD1-O 3.28Å; L273-L391 WeakPolarHBondContact CD1-O 3.47Å; L273-V394 HydrophobicContact CD1-CG1 3.61Å; L273-K395 HydrophobicContact CD1-CB 4.2Å; L273-K395 HydrophobicContact CD2-CB 4.11Å; L273-K395 HydrophobicContact CD2-CD 4.28Å; L273-K395 HydrophobicContact CD2-CG 4.11Å; L273-K395 HydrophobicContact CG-CB 4.31Å
274	E	96.1	Very high	96.7	Very high	90 Å²	90	40.3 Å²	40.3	42%	0.421	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.5	171.1	-158.7	-146.8	125.4	0	0	110.5	V272 Q276	V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 2.81Å; E274-Q276 PolarHBondContact O-N 3.03Å; E274-Q276 VanDerWaalsContact O-N 3.1Å
275	K	96.2	Very high	96.9	Very high	136 Å²	136	37.5 Å²	37.5	59%	0.591	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	18.8	-175	-60.7	158.7	179.9	135.9	0	114.5	R212 L273	R212-K275 PolarHBondContact N-O 2.71Å; L273-K275 PolarHBondContact O-N 2.96Å
276	Q	98.1	Very high	96.9	Very high	46 Å²	46	38.5 Å²	38.5	22%	0.215	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-121.2	152.6	177	-66	171.9	-18.6	0	0	110.3	R212 G267 L273 E274 T278	R212-Q276 HydrophobicContact CG-CG 4.49Å; R212-Q276 VanDerWaalsContact O-CA 3.22Å; R212-Q276 WeakPolarHBondContact O-CA 3.42Å; G267-Q276 WeakPolarHBondContact CA-O 3.43Å; L273-Q276 HydrophobicContact CB-CB 4.11Å; L273-Q276 HydrophobicContact CD2-CB 3.84Å; L273-Q276 PolarHBondContact O-N 2.84Å; L273-Q276 VanDerWaalsContact O-O 3.1Å; E274-Q276 PolarHBondContact O-N 3.03Å; E274-Q276 VanDerWaalsContact O-N 3.1Å; Q276-T278 PolarHBondContact O-N 3.22Å
277	W	98.3	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.16	C	C	.	.			trans	-59.4	133.2	179.8	-63	108.9	0	0	0	111.9	F187 I201 R203 L211 R212 W220 V261 D265 F280	F187-W277 HydrophobicContact CD1-CH2 4.13Å; F187-W277 AromaticContact CE1-CH2 3.73Å; F187-W277 HydrophobicContact CE1-CH2 3.73Å; F187-W277 HydrophobicContact CE1-CZ3 4.46Å; I201-W277 HydrophobicContact CG2-CZ2 4.4Å; I201-W277 PolarHBondContact O-NE1 3.06Å; R203-W277 HydrophobicContact CB-CH2 3.52Å; R203-W277 HydrophobicContact CB-CZ2 3.63Å; R203-W277 HydrophobicContact CG-CH2 4.39Å; L211-W277 HydrophobicContact CB-CD2 3.94Å; L211-W277 HydrophobicContact CB-CE3 4.11Å; L211-W277 HydrophobicContact CB-CH2 4.23Å; L211-W277 HydrophobicContact CB-CZ2 4.06Å; L211-W277 HydrophobicContact CB-CZ3 4.26Å; L211-W277 HydrophobicContact CD1-CD2 4.29Å; L211-W277 HydrophobicContact CD1-CE3 3.68Å; L211-W277 HydrophobicContact CD1-CH2 4.45Å; L211-W277 HydrophobicContact CD1-CZ3 3.78Å; R212-W277 PolarHBondContact O-N 2.93Å; W220-W277 HydrophobicContact CH2-CB 4.31Å; W220-W277 WeakPolarHBondContact CH2-O 3.47Å; W220-W277 HydrophobicContact CZ3-CB 4.24Å; V261-W277 HydrophobicContact CB-CD2 4.25Å; V261-W277 HydrophobicContact CB-CE3 3.85Å; V261-W277 HydrophobicContact CB-CH2 4.35Å; V261-W277 HydrophobicContact CB-CZ3 3.89Å; V261-W277 HydrophobicContact CG1-CD2 3.83Å; V261-W277 HydrophobicContact CG1-CE3 3.94Å; V261-W277 HydrophobicContact CG1-CG 4.14Å; V261-W277 HydrophobicContact CG1-CZ3 4.37Å; V261-W277 HydrophobicContact CG2-CE3 4.38Å; V261-W277 HydrophobicContact CG2-CH2 3.98Å; V261-W277 HydrophobicContact CG2-CZ2 4.38Å; V261-W277 HydrophobicContact CG2-CZ3 3.98Å; D265-W277 HydrophobicContact CB-CE3 3.92Å; D265-W277 HydrophobicContact CB-CZ3 3.97Å; W277-F280 HydrophobicContact CB-CB 3.76Å; W277-F280 HydrophobicContact CG-CB 4.36Å
278	T	97.6	Very high	96.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	16%	0.161	C	C	.	.	S	Bend	trans	-95.6	-13.7	169.3	64.6	0	0	0	0	112.6	D265 G268 Q276 S383 L391 V394	D265-T278 PolarHBondContact OD1-OG1 3.24Å; D265-T278 PolarHBondContact OD2-N 2.92Å; D265-T278 PolarHBondContact OD2-OG1 2.97Å; G268-T278 VanDerWaalsContact CA-CG2 3.43Å; G268-T278 VanDerWaalsContact N-CG2 3.25Å; Q276-T278 PolarHBondContact O-N 3.22Å; T278-S383 VanDerWaalsContact OG1-CB 3.3Å; T278-S383 WeakPolarHBondContact OG1-CB 3.44Å; T278-L391 HydrophobicContact CG2-CD2 3.49Å; T278-L391 VanDerWaalsContact CG2-CD2 3.49Å; T278-V394 WeakPolarHBondContact O-CG1 3.33Å
279	T	97.8	Very high	96.7	Very high	4 Å²	4	36 Å²	36	3%	0.025	16%	0.162	C	C	.	.	S	Bend	trans	-114.1	5.7	-171.9	58	0	0	0	0	114.3	C262 D265 L281	C262-T279 HydrophobicContact CB-CG2 3.85Å; C262-T279 PolarHBondContact N-OG1 2.65Å; C262-T279 VanDerWaalsContact SG-CG2 3.58Å; D265-T279 HydrophobicContact CB-CG2 4.42Å; D265-T279 WeakPolarHBondContact OD2-CB 3.25Å; D265-T279 WeakPolarHBondContact OD2-CG2 3.39Å; D265-T279 PolarHBondContact OD2-N 3.34Å; D265-T279 PolarHBondContact OD2-OG1 3.22Å; T279-L281 PolarHBondContact O-N 3.13Å
280	F	98.6	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.			trans	-71.2	116.7	178.3	176.8	-98.7	0	0	0	111.8	I201 T213 W220 F221 A259 R260 V261 W277 K282 P398	I201-F280 HydrophobicContact CD1-CE2 4.2Å; T213-F280 HydrophobicContact CG2-CD2 4.19Å; T213-F280 HydrophobicContact CG2-CE2 4.22Å; T213-F280 HydrophobicContact CG2-CG 4.47Å; W220-F280 HydrophobicContact CB-CE1 4.43Å; W220-F280 AromaticContact CD2-CD1 3.88Å; W220-F280 HydrophobicContact CD2-CD1 3.88Å; W220-F280 HydrophobicContact CD2-CE1 4.05Å; W220-F280 HydrophobicContact CE3-CB 4.35Å; W220-F280 AromaticContact CE3-CD1 3.25Å; W220-F280 HydrophobicContact CE3-CD1 3.25Å; W220-F280 AromaticContact CE3-CE1 3.59Å; W220-F280 HydrophobicContact CE3-CE1 3.59Å; W220-F280 AromaticContact CE3-CG 3.87Å; W220-F280 HydrophobicContact CE3-CG 3.87Å; W220-F280 HydrophobicContact CE3-CZ 4.44Å; W220-F280 HydrophobicContact CG-CE1 4.42Å; W220-F280 HydrophobicContact CH2-CB 3.99Å; W220-F280 HydrophobicContact CH2-CD1 4.09Å; W220-F280 HydrophobicContact CH2-CG 4.37Å; W220-F280 HydrophobicContact CZ3-CB 3.58Å; W220-F280 AromaticContact CZ3-CD1 3.38Å; W220-F280 HydrophobicContact CZ3-CD1 3.38Å; W220-F280 HydrophobicContact CZ3-CE1 4.19Å; W220-F280 AromaticContact CZ3-CG 3.6Å; W220-F280 HydrophobicContact CZ3-CG 3.6Å; F221-F280 HydrophobicContact CE1-CZ 4.23Å; F221-F280 HydrophobicContact CZ-CE2 4.28Å; F221-F280 HydrophobicContact CZ-CZ 4.2Å; A259-F280 HydrophobicContact CB-CD2 4.3Å; A259-F280 HydrophobicContact CB-CE2 3.67Å; A259-F280 HydrophobicContact CB-CZ 4.3Å; R260-F280 WeakPolarHBondContact O-CA 3.45Å; V261-F280 HydrophobicContact CG1-CB 4.09Å; V261-F280 HydrophobicContact CG1-CD2 4.07Å; W277-F280 HydrophobicContact CB-CB 3.76Å; W277-F280 HydrophobicContact CG-CB 4.36Å; F280-K282 HydrophobicContact CZ-CD 4.45Å; F280-P398 HydrophobicContact CD1-CB 3.98Å; F280-P398 HydrophobicContact CE1-CB 3.96Å
281	L	98.6	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.9	169	-65.2	178	0	0	0	109.7	A259 R260 T279 F343 F347 V394 P398 M400	A259-L281 CarbonylContact C-O 3.49Å; A259-L281 WeakPolarHBondContact CA-O 3.46Å; A259-L281 VanDerWaalsContact CB-O 3.26Å; A259-L281 WeakPolarHBondContact CB-O 3.49Å; R260-L281 PolarHBondContact N-O 3.41Å; R260-L281 PolarHBondContact O-N 2.68Å; T279-L281 PolarHBondContact O-N 3.13Å; L281-F343 HydrophobicContact CB-CD1 3.66Å; L281-F343 HydrophobicContact CB-CE1 3.95Å; L281-F343 HydrophobicContact CD1-CD1 4.31Å; L281-F343 WeakPolarHBondContact O-CE1 3.46Å; L281-F347 HydrophobicContact CD1-CE1 3.94Å; L281-F347 HydrophobicContact CD2-CD1 4.28Å; L281-F347 HydrophobicContact CD2-CE1 3.73Å; L281-V394 HydrophobicContact CD2-CG2 4.02Å; L281-P398 CarbonylContact C-O 3.46Å; L281-P398 WeakPolarHBondContact CA-O 3.43Å; L281-M400 HydrophobicContact CB-SD 4.24Å; L281-M400 HydrophobicContact CD1-SD 3.88Å; L281-M400 HydrophobicContact CD2-SD 4.29Å; L281-M400 HydrophobicContact CG-SD 4.38Å
282	K	98.4	Very high	95.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.8	175.2	68.2	-178.3	175.5	-177	0	113.1	K219 W220 F240 E242 V258 A259 F280 P398 L399 M400	K219-K282 WeakPolarHBondContact O-CE 3.31Å; K219-K282 PolarHBondContact O-NZ 2.81Å; W220-K282 PolarHBondContact O-NZ 3.03Å; F240-K282 HydrophobicContact CZ-CB 4.4Å; F240-K282 HydrophobicContact CZ-CD 4.03Å; E242-K282 VanDerWaalsContact OE1-CE 3.29Å; E242-K282 WeakPolarHBondContact OE1-CE 3.33Å; E242-K282 IonicContact OE1-NZ 2.78Å; E242-K282 PolarHBondContact OE1-NZ 2.86Å; E242-K282 IonicContact OE2-NZ 2.85Å; E242-K282 PolarHBondContact OE2-NZ 3.17Å; V258-K282 CarbonylContact O-C 3.55Å; V258-K282 VanDerWaalsContact O-CA 3.31Å; V258-K282 WeakPolarHBondContact O-CA 3.41Å; A259-K282 HydrophobicContact CB-CB 3.87Å; F280-K282 HydrophobicContact CZ-CD 4.45Å; K282-P398 WeakPolarHBondContact CG-O 3.39Å; K282-P398 PolarHBondContact N-O 2.99Å; K282-L399 HydrophobicContact CG-CD1 4.17Å; K282-L399 WeakPolarHBondContact O-CA 3.25Å; K282-M400 PolarHBondContact O-N 2.7Å
283	A	98.4	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.9	176.1	0	0	0	0	0	110.8	R257 V258 V342 F343 M400 V404	R257-A283 VanDerWaalsContact CA-O 3.29Å; R257-A283 WeakPolarHBondContact CA-O 3.43Å; R257-A283 WeakPolarHBondContact CD-O 3.24Å; V258-A283 PolarHBondContact N-O 3.13Å; V258-A283 VanDerWaalsContact N-O 3.09Å; V258-A283 PolarHBondContact O-N 2.85Å; A283-V342 HydrophobicContact CB-CG1 3.64Å; A283-F343 HydrophobicContact CB-CE1 4.26Å; A283-F343 HydrophobicContact CB-CZ 4.24Å; A283-M400 HydrophobicContact CB-CB 4.13Å; A283-M400 HydrophobicContact CB-CG 4.12Å; A283-V404 HydrophobicContact CB-CG2 4.25Å
284	R	97.9	Very high	94.9	Very high	23 Å²	23	38.6 Å²	38.6	9%	0.087	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135	173.9	-173.3	179.1	176.8	-145.4	-2.4	110	N298 T403 V404	R284-N298 PolarHBondContact NH2-OD1 3.44Å; R284-T403 HydrophobicContact CB-CG2 3.99Å; R284-T403 HydrophobicContact CG-CG2 4.42Å; R284-T403 CarbonylContact O-C 3.53Å; R284-T403 WeakPolarHBondContact O-CA 3.41Å; R284-V404 PolarHBondContact O-N 3.21Å
285	L	98	Very high	94.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.5	166.7	-65.7	168	0	0	0	109	F239 S256 V258 L300 F319 F334 V404	F239-L285 HydrophobicContact CD1-CD1 3.95Å; F239-L285 HydrophobicContact CE1-CD1 4.38Å; F239-L285 HydrophobicContact CE1-CD2 4.49Å; S256-L285 PolarHBondContact O-N 2.89Å; V258-L285 HydrophobicContact CB-CD2 4.07Å; V258-L285 HydrophobicContact CB-CG 4.34Å; V258-L285 HydrophobicContact CG1-CD2 3.75Å; V258-L285 HydrophobicContact CG1-CG 4.27Å; L285-L300 HydrophobicContact CD1-CD2 4.27Å; L285-F319 HydrophobicContact CB-CE1 4.24Å; L285-F319 HydrophobicContact CB-CZ 4.22Å; L285-F319 HydrophobicContact CD1-CE1 4.43Å; L285-F319 HydrophobicContact CD1-CZ 4.29Å; L285-F334 HydrophobicContact CB-CZ 4.29Å; L285-F334 HydrophobicContact CD2-CE1 4.4Å; L285-F334 HydrophobicContact CD2-CE2 4.49Å; L285-F334 HydrophobicContact CD2-CZ 4.4Å; L285-V404 HydrophobicContact CD2-CB 4.06Å; L285-V404 HydrophobicContact CD2-CG1 4.37Å; L285-V404 HydrophobicContact CD2-CG2 4.22Å
286	N	96.2	Very high	94.6	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	20%	0.196	C	C	.	.			trans	-96.8	102.3	175.9	-171.6	-1	0	0	0	110.4	S288 Y296 F334 V404 L406	N286-S288 WeakPolarHBondContact OD1-CB 3.09Å; N286-S288 PolarHBondContact OD1-OG 3.4Å; N286-Y296 WeakPolarHBondContact OD1-CE1 3.05Å; N286-F334 WeakPolarHBondContact O-CE1 3.5Å; N286-V404 WeakPolarHBondContact CB-O 3.48Å; N286-V404 PolarHBondContact N-O 2.91Å; N286-L406 VanDerWaalsContact O-CD2 3.24Å; N286-L406 WeakPolarHBondContact O-CD2 3.34Å
287	C	96.9	Very high	94.5	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.02	19%	0.186	C	C	.	.			trans	-112.8	102	165.7	-173.3	0	0	0	0	108.4	F297 F319 C332 F334	C287-F297 PolarHBondContact O-N 2.03Å; C287-F319 HydrophobicContact CB-CD1 4.07Å; C287-F319 HydrophobicContact CB-CD2 3.61Å; C287-F319 HydrophobicContact CB-CE1 4.09Å; C287-F319 HydrophobicContact CB-CE2 3.65Å; C287-F319 HydrophobicContact CB-CG 3.83Å; C287-F319 HydrophobicContact CB-CZ 3.9Å; C287-F319 WeakPolarHBondContact SG-CD2 3.42Å; C287-C332 WeakPolarHBondContact CA-SG 3.38Å; C287-C332 HydrophobicContact CB-CB 3.75Å; C287-C332 WeakPolarHBondContact CB-SG 3.23Å; C287-C332 WeakPolarHBondContact SG-CB 3.49Å; C287-C332 CovalentContact SG-SG 2.04Å; C287-C332 PolarHBondContact SG-SG 2.79Å; C287-F334 HydrophobicContact CB-CZ 4.45Å
288	S	94.8	Very high	94.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.1	-176.3	56.4	0	0	0	0	113.2	N286 F295 P411	N286-S288 WeakPolarHBondContact OD1-CB 3.09Å; N286-S288 PolarHBondContact OD1-OG 3.4Å; S288-F295 CarbonylContact C-O 3.43Å; S288-F295 WeakPolarHBondContact CA-O 3.33Å; S288-F295 VanDerWaalsContact CB-O 3.24Å; S288-F295 WeakPolarHBondContact CB-O 3.49Å; S288-P411 WeakPolarHBondContact O-CD 3.41Å
289	I	92.5	Very high	94.4	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.077	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.7	166.5	-62	165.7	0	0	0	107.2	F27 P28 H294 F295 F297 P411 V414	F27-I289 HydrophobicContact CD2-CD1 4.43Å; F27-I289 HydrophobicContact CE1-CD1 4.19Å; F27-I289 HydrophobicContact CE2-CD1 3.6Å; F27-I289 HydrophobicContact CZ-CD1 3.45Å; F27-I289 VanDerWaalsContact CZ-CD1 3.45Å; P28-I289 HydrophobicContact CG-CD1 4.48Å; I289-H294 WeakPolarHBondContact O-CA 3.34Å; I289-F295 HydrophobicContact CB-CB 4.47Å; I289-F295 PolarHBondContact N-O 2.9Å; I289-F295 PolarHBondContact O-N 2.85Å; I289-F297 HydrophobicContact CD1-CE2 3.82Å; I289-F297 HydrophobicContact CD1-CZ 4.13Å; I289-F297 HydrophobicContact CG1-CE2 4.06Å; I289-P411 HydrophobicContact CG1-CG 3.92Å; I289-V414 HydrophobicContact CD1-CG1 4.06Å; I289-V414 HydrophobicContact CD1-CG2 3.97Å; I289-V414 HydrophobicContact CG1-CG2 4.42Å
290	P	89.6	Confident	94.4	Very high	32 Å²	32	35.2 Å²	35.2	21%	0.208	19%	0.194	C	C	.	.			trans	-77.4	147.1	176.2	29.8	-33.2	0	0	0	112.2	H409 R410	P290-H409 WeakPolarHBondContact CD-O 3.36Å; P290-H409 WeakPolarHBondContact CG-O 3.03Å; P290-R410 HydrophobicContact CG-CG 3.97Å; P290-R410 PolarHBondContact O-NH1 3.27Å
291	G	86	Confident	94.3	Very high	45 Å²	45	37.2 Å²	37.2	46%	0.464	20%	0.203	S	C	.	.	S	Bend	trans	176.3	-172.1	-179.4	0	0	0	0	0	108.1	S293	G291-S293 CarbonylContact O-C 3.5Å; G291-S293 PolarHBondContact O-N 2.95Å
292	D	84.6	Confident	94.3	Very high	186 Å²	186	37.9 Å²	37.9	100%	0.995	21%	0.209	S	C	*	.	S	Bend	trans	-47.2	-36.5	-178.3	-60.3	-8	0	0	0	113.4
293	S	87.1	Confident	94.3	Very high	102 Å²	102	38.9 Å²	38.9	71%	0.713	22%	0.215	S	C	*	.	S	Bend	trans	-128.9	141.2	158.7	62.5	0	0	0	0	109.4	G291	G291-S293 CarbonylContact O-C 3.5Å; G291-S293 PolarHBondContact O-N 2.95Å
294	H	90.4	Very high	94.2	Very high	91 Å²	91	39.4 Å²	39.4	42%	0.421	22%	0.219	S	C	.	.			trans	-76.9	127.2	-177.5	-74	48.6	0	0	0	111	I289 Y296	I289-H294 WeakPolarHBondContact O-CA 3.34Å; H294-Y296 HydrophobicContact CB-CD2 4.32Å; H294-Y296 HydrophobicContact CB-CE2 3.64Å; H294-Y296 WeakPolarHBondContact O-CD2 3.42Å; H294-Y296 VanDerWaalsContact O-CE2 3.31Å; H294-Y296 WeakPolarHBondContact O-CE2 3.25Å
295	F	93	Very high	94	Very high	87 Å²	87	44.9 Å²	44.9	38%	0.382	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.7	175.6	-173.3	-87.3	0	0	0	110.4	F27 S288 I289 F297 T321	F27-F295 HydrophobicContact CE2-CD1 4.02Å; F27-F295 HydrophobicContact CE2-CE1 4.28Å; F27-F295 HydrophobicContact CE2-CG 4.19Å; S288-F295 CarbonylContact C-O 3.43Å; S288-F295 WeakPolarHBondContact CA-O 3.33Å; S288-F295 VanDerWaalsContact CB-O 3.24Å; S288-F295 WeakPolarHBondContact CB-O 3.49Å; I289-F295 HydrophobicContact CB-CB 4.47Å; I289-F295 PolarHBondContact N-O 2.9Å; I289-F295 PolarHBondContact O-N 2.85Å; F295-F297 HydrophobicContact CD1-CD2 4.31Å; F295-F297 AromaticContact CD1-CE2 3.74Å; F295-F297 HydrophobicContact CD1-CE2 3.74Å; F295-F297 AromaticContact CD1-CZ 3.88Å; F295-F297 HydrophobicContact CD1-CZ 3.88Å; F295-F297 HydrophobicContact CE1-CD1 4.48Å; F295-F297 HydrophobicContact CE1-CD2 4.5Å; F295-F297 AromaticContact CE1-CE1 3.96Å; F295-F297 HydrophobicContact CE1-CE1 3.96Å; F295-F297 AromaticContact CE1-CE2 3.97Å; F295-F297 HydrophobicContact CE1-CE2 3.97Å; F295-F297 AromaticContact CE1-CZ 3.67Å; F295-F297 HydrophobicContact CE1-CZ 3.67Å; F295-T321 HydrophobicContact CE1-CG2 3.8Å; F295-T321 HydrophobicContact CZ-CG2 3.74Å
296	Y	93.9	Very high	93.9	Very high	81 Å²	81	47.2 Å²	47.2	32%	0.318	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.3	-171.9	-65.4	-89.7	0	0	0	113.9	N286 H294 N298	N286-Y296 WeakPolarHBondContact OD1-CE1 3.05Å; H294-Y296 HydrophobicContact CB-CD2 4.32Å; H294-Y296 HydrophobicContact CB-CE2 3.64Å; H294-Y296 WeakPolarHBondContact O-CD2 3.42Å; H294-Y296 VanDerWaalsContact O-CE2 3.31Å; H294-Y296 WeakPolarHBondContact O-CE2 3.25Å; Y296-N298 PolarHBondContact O-N 2.9Å
297	F	96.6	Very high	93.8	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	26%	0.26	C	S	.	.			trans	-92.1	87.3	167.3	-61.3	-95.4	0	0	0	108.8	F27 C287 I289 F295 F319 S320 T321 A330 V414	F27-F297 HydrophobicContact CZ-CZ 4.31Å; C287-F297 PolarHBondContact O-N 2.03Å; I289-F297 HydrophobicContact CD1-CE2 3.82Å; I289-F297 HydrophobicContact CD1-CZ 4.13Å; I289-F297 HydrophobicContact CG1-CE2 4.06Å; F295-F297 HydrophobicContact CD1-CD2 4.31Å; F295-F297 AromaticContact CD1-CE2 3.74Å; F295-F297 HydrophobicContact CD1-CE2 3.74Å; F295-F297 AromaticContact CD1-CZ 3.88Å; F295-F297 HydrophobicContact CD1-CZ 3.88Å; F295-F297 HydrophobicContact CE1-CD1 4.48Å; F295-F297 HydrophobicContact CE1-CD2 4.5Å; F295-F297 AromaticContact CE1-CE1 3.96Å; F295-F297 HydrophobicContact CE1-CE1 3.96Å; F295-F297 AromaticContact CE1-CE2 3.97Å; F295-F297 HydrophobicContact CE1-CE2 3.97Å; F295-F297 AromaticContact CE1-CZ 3.67Å; F295-F297 HydrophobicContact CE1-CZ 3.67Å; F297-F319 HydrophobicContact CB-CB 3.59Å; F297-F319 WeakPolarHBondContact O-CB 3.43Å; F297-F319 VanDerWaalsContact O-CD1 3.25Å; F297-F319 WeakPolarHBondContact O-CD1 3.21Å; F297-S320 CarbonylContact C-O 3.59Å; F297-T321 HydrophobicContact CD1-CG2 4.02Å; F297-T321 HydrophobicContact CE1-CG2 4.11Å; F297-A330 HydrophobicContact CB-CB 4.3Å; F297-A330 HydrophobicContact CD1-CB 3.74Å; F297-A330 HydrophobicContact CD2-CB 3.55Å; F297-A330 HydrophobicContact CE1-CB 3.86Å; F297-A330 HydrophobicContact CE2-CB 3.69Å; F297-A330 HydrophobicContact CG-CB 3.59Å; F297-A330 HydrophobicContact CZ-CB 3.84Å; F297-V414 HydrophobicContact CZ-CG1 4.07Å
298	N	95.4	Very high	93.5	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.128	29%	0.287	C	S	.	.			trans	-81.6	-11.8	-168	-77.7	-47.2	0	0	0	115.5	M254 V255 S256 R284 Y296 S320	M254-N298 WeakPolarHBondContact O-CB 3.45Å; V255-N298 CarbonylContact C-O 3.54Å; S256-N298 PolarHBondContact N-O 2.88Å; S256-N298 VanDerWaalsContact N-O 3.14Å; S256-N298 PolarHBondContact OG-O 3.46Å; R284-N298 PolarHBondContact NH2-OD1 3.44Å; Y296-N298 PolarHBondContact O-N 2.9Å; N298-S320 PolarHBondContact N-O 2.69Å
299	L	97.2	Very high	92.9	Very high	16 Å²	16	54 Å²	54	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	94	-175.7	-56.7	-169.5	0	0	0	112.9	M254 H301 F319 S320	M254-L299 HydrophobicContact CB-CD2 3.62Å; M254-L299 HydrophobicContact CG-CD2 4.34Å; L299-H301 PolarHBondContact O-CD2 2.88Å; L299-F319 CarbonylContact O-C 3.58Å; L299-F319 VanDerWaalsContact O-CA 3.22Å; L299-F319 WeakPolarHBondContact O-CA 3.26Å; L299-S320 PolarHBondContact N-O 3.13Å; L299-S320 PolarHBondContact O-N 3.35Å
300	L	98.3	Very high	92.3	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130.5	170.4	-177.9	75.5	0	0	0	110.7	V227 F239 R241 S256 L285 A302 T303 L318 F319	V227-L300 HydrophobicContact CB-CD2 4.12Å; V227-L300 HydrophobicContact CG1-CD2 4.06Å; V227-L300 HydrophobicContact CG1-CG 4.19Å; V227-L300 HydrophobicContact CG2-CD2 4.19Å; V227-L300 HydrophobicContact CG2-CG 4.3Å; V227-L300 WeakPolarHBondContact CG2-O 3.3Å; F239-L300 HydrophobicContact CB-CD2 3.84Å; F239-L300 HydrophobicContact CD1-CD2 4.44Å; R241-L300 PolarHBondContact NH1-O 3.17Å; S256-L300 VanDerWaalsContact OG-CB 3.27Å; S256-L300 WeakPolarHBondContact OG-CB 3.2Å; S256-L300 PolarHBondContact OG-N 2.7Å; L285-L300 HydrophobicContact CD1-CD2 4.27Å; L300-A302 WeakPolarHBondContact CD1-O 3.45Å; L300-T303 HydrophobicContact CD1-CG2 4.23Å; L300-T303 HydrophobicContact CD2-CG2 4.11Å; L300-L318 CarbonylContact C-O 3.29Å; L300-L318 WeakPolarHBondContact CA-O 3.37Å; L300-F319 HydrophobicContact CB-CD1 3.84Å; L300-F319 HydrophobicContact CB-CE1 3.81Å; L300-F319 HydrophobicContact CD1-CD1 4.09Å; L300-F319 HydrophobicContact CD1-CD2 4.26Å; L300-F319 HydrophobicContact CD1-CE1 3.74Å; L300-F319 HydrophobicContact CD1-CE2 3.91Å; L300-F319 HydrophobicContact CD1-CG 4.34Å; L300-F319 HydrophobicContact CD1-CZ 3.63Å; L300-F319 HydrophobicContact CG-CE1 4.34Å
301	H	97.1	Very high	92	Very high	41 Å²	41	60.8 Å²	60.8	19%	0.19	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-36.4	175.4	-68	-66.5	0	0	0	113.7	V227 L299 L318 S320 L422	V227-H301 WeakPolarHBondContact CG1-O 3.48Å; L299-H301 PolarHBondContact O-CD2 2.88Å; H301-L318 PolarHBondContact N-O 2.83Å; H301-S320 WeakPolarHBondContact NE2-CB 3.34Å; H301-S320 PolarHBondContact NE2-OG 2.76Å; H301-L422 PolarHBondContact CD2-O 2.88Å
302	A	97.5	Very high	92.3	Very high	15 Å²	15	64 Å²	64	12%	0.124	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.2	-179.1	0	0	0	0	0	111.6	L300 L318 M425	L300-A302 WeakPolarHBondContact CD1-O 3.45Å; A302-L318 HydrophobicContact CB-CB 4.36Å; A302-L318 HydrophobicContact CB-CD2 4.5Å; A302-L318 PolarHBondContact O-N 3.43Å; A302-M425 HydrophobicContact CB-CB 4.42Å
303	T	98	Very high	92.8	Very high	24 Å²	24	57.8 Å²	57.8	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160	164.9	66.2	0	0	0	0	110	S228 F239 L300 L316	S228-T303 WeakPolarHBondContact CB-OG1 3.3Å; S228-T303 WeakPolarHBondContact OG-CG2 3.33Å; S228-T303 PolarHBondContact OG-OG1 2.72Å; F239-T303 HydrophobicContact CB-CG2 4.12Å; F239-T303 HydrophobicContact CD1-CG2 3.99Å; F239-T303 HydrophobicContact CG-CG2 3.94Å; L300-T303 HydrophobicContact CD1-CG2 4.23Å; L300-T303 HydrophobicContact CD2-CG2 4.11Å; T303-L316 CarbonylContact C-O 3.55Å; T303-L316 WeakPolarHBondContact CA-O 3.19Å
304	S	96.8	Very high	93.2	Very high	11 Å²	11	53 Å²	53	8%	0.077	27%	0.27	C	S	.	.			trans	-75.5	171.9	160.7	65.8	0	0	0	0	111	L316	S304-L316 PolarHBondContact N-O 3.07Å; S304-L316 PolarHBondContact OG-N 3.07Å
305	D	94.4	Very high	93.5	Very high	139 Å²	139	48.8 Å²	48.8	74%	0.743	25%	0.25	S	C	*	.			trans	-62.2	174	152.3	-56.2	-61.1	0	0	0	110.7	I307	D305-I307 PolarHBondContact O-N 2.79Å
306	I	96	Very high	93.7	Very high	53 Å²	53	44.7 Å²	44.7	27%	0.272	23%	0.232	S	C	.	.			trans	-73.7	124.7	173.2	-54.8	-179.5	0	0	0	109	M230 W232 D313 I315 M336	M230-I306 HydrophobicContact CG-CD1 4.44Å; M230-I306 HydrophobicContact SD-CD1 3.95Å; M230-I306 HydrophobicContact SD-CG1 3.64Å; W232-I306 HydrophobicContact CB-CD1 3.84Å; W232-I306 HydrophobicContact CG-CD1 4.02Å; I306-D313 HydrophobicContact CG2-CB 3.9Å; I306-I315 HydrophobicContact CB-CG2 4.48Å; I306-I315 HydrophobicContact CG1-CG2 3.98Å; I306-M336 HydrophobicContact CD1-CE 4.17Å; I306-M336 HydrophobicContact CG2-CG 4.35Å
307	I	93.8	Very high	93.9	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.082	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	-177.6	-58.1	173.4	0	0	0	109.1	D305 M309 V314 L316 V427 T429	D305-I307 PolarHBondContact O-N 2.79Å; I307-M309 HydrophobicContact CB-CG 4.44Å; I307-M309 HydrophobicContact CG2-CG 3.56Å; I307-M309 HydrophobicContact CG2-SD 4.22Å; I307-V314 HydrophobicContact CB-CG2 4.35Å; I307-V314 PolarHBondContact N-O 2.86Å; I307-V314 WeakPolarHBondContact O-CG2 3.45Å; I307-V314 PolarHBondContact O-N 3.42Å; I307-L316 HydrophobicContact CD1-CD1 4.44Å; I307-V427 HydrophobicContact CD1-CB 3.83Å; I307-V427 HydrophobicContact CD1-CG1 3.89Å; I307-V427 HydrophobicContact CD1-CG2 3.86Å; I307-T429 HydrophobicContact CD1-CG2 4.05Å; I307-T429 HydrophobicContact CG1-CG2 4.23Å; I307-T429 HydrophobicContact CG2-CG2 3.49Å; I307-T429 VanDerWaalsContact CG2-CG2 3.49Å
308	H	90.9	Very high	94	Very high	127 Å²	127	40.9 Å²	40.9	59%	0.588	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.3	171.3	-163.1	76.7	0	0	0	110.7	G311 R312 D313	H308-G311 VanDerWaalsContact CE1-C 3.47Å; H308-G311 WeakPolarHBondContact NE2-CA 3.28Å; H308-R312 CarbonylContact C-O 3.6Å; H308-R312 WeakPolarHBondContact CA-O 3.32Å; H308-D313 IonicContact CE1-OD1 3.96Å; H308-D313 IonicContact CG-OD1 2.82Å; H308-D313 IonicContact ND1-OD1 2.73Å; H308-D313 PolarHBondContact ND1-OD1 3.33Å
309	M	82.9	Confident	94.1	Very high	27 Å²	27	39.7 Å²	39.7	13%	0.133	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.1	179.1	-59.4	-166.5	71.9	0	0	111	I307 G311 R312 V314 W412 T438	I307-M309 HydrophobicContact CB-CG 4.44Å; I307-M309 HydrophobicContact CG2-CG 3.56Å; I307-M309 HydrophobicContact CG2-SD 4.22Å; M309-G311 PolarHBondContact O-N 2.78Å; M309-R312 PolarHBondContact N-O 2.9Å; M309-R312 PolarHBondContact O-N 3.22Å; M309-V314 HydrophobicContact CB-CG2 4.05Å; M309-V314 HydrophobicContact CG-CG2 3.78Å; M309-V314 HydrophobicContact SD-CG2 3.95Å; M309-W412 HydrophobicContact CE-CH2 4.19Å; M309-W412 HydrophobicContact CE-CZ3 4.26Å; M309-W412 HydrophobicContact SD-CH2 4.25Å; M309-W412 HydrophobicContact SD-CZ3 4.3Å; M309-T438 HydrophobicContact CE-CG2 4.2Å
310	Q	78.9	Confident	94.1	Very high	129 Å²	129	39 Å²	39	60%	0.603	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.6	175.8	-61.6	-177.4	-62.7	0	0	114.6	S456	Q310-S456 PolarHBondContact OE1-OG 3.4Å
311	G	84.2	Confident	93.9	Very high	61 Å²	61	39 Å²	39	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	4.5	-178	0	0	0	0	0	115.3	H308 M309	H308-G311 VanDerWaalsContact CE1-C 3.47Å; H308-G311 WeakPolarHBondContact NE2-CA 3.28Å; M309-G311 PolarHBondContact O-N 2.78Å
312	R	90.8	Very high	93.6	Very high	111 Å²	111	39.5 Å²	39.5	42%	0.419	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.1	179.1	-62.2	174	179.7	-79.2	-8	111.1	H308 M309 V314 D335	H308-R312 CarbonylContact C-O 3.6Å; H308-R312 WeakPolarHBondContact CA-O 3.32Å; M309-R312 PolarHBondContact N-O 2.9Å; M309-R312 PolarHBondContact O-N 3.22Å; R312-V314 HydrophobicContact CB-CG1 3.97Å; R312-D335 WeakPolarHBondContact CD-OD2 3.47Å; R312-D335 IonicContact CZ-OD2 3.94Å; R312-D335 IonicContact NE-OD2 3.64Å; R312-D335 IonicContact NH1-OD2 2.68Å; R312-D335 PolarHBondContact NH1-OD2 2.73Å
313	D	95.3	Very high	93.1	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.7	164.9	-69.7	-4.8	0	0	0	108.5	W232 I306 H308 M336	W232-D313 PolarHBondContact NE1-OD2 3.44Å; W232-D313 VanDerWaalsContact NE1-OD2 3.15Å; I306-D313 HydrophobicContact CG2-CB 3.9Å; H308-D313 IonicContact CE1-OD1 3.96Å; H308-D313 IonicContact CG-OD1 2.82Å; H308-D313 IonicContact ND1-OD1 2.73Å; H308-D313 PolarHBondContact ND1-OD1 3.33Å; D313-M336 HydrophobicContact CB-CB 4.17Å; D313-M336 HydrophobicContact CB-CG 4.35Å; D313-M336 WeakPolarHBondContact O-CB 3.43Å; D313-M336 PolarHBondContact O-N 3.27Å
314	V	95.4	Very high	92.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155	-176.8	-57.6	0	0	0	0	111.7	I307 M309 R312 V333 F334 L407	I307-V314 HydrophobicContact CB-CG2 4.35Å; I307-V314 PolarHBondContact N-O 2.86Å; I307-V314 WeakPolarHBondContact O-CG2 3.45Å; I307-V314 PolarHBondContact O-N 3.42Å; M309-V314 HydrophobicContact CB-CG2 4.05Å; M309-V314 HydrophobicContact CG-CG2 3.78Å; M309-V314 HydrophobicContact SD-CG2 3.95Å; R312-V314 HydrophobicContact CB-CG1 3.97Å; V314-V333 HydrophobicContact CB-CG1 3.79Å; V314-V333 HydrophobicContact CG1-CG1 4.18Å; V314-V333 HydrophobicContact CG2-CG1 4.14Å; V314-F334 CarbonylContact C-O 3.55Å; V314-F334 VanDerWaalsContact CA-O 3.27Å; V314-F334 WeakPolarHBondContact CA-O 3.1Å; V314-L407 HydrophobicContact CG1-CD2 4.23Å
315	I	97.1	Very high	92.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.9	169.6	56.9	171	0	0	0	110.1	M230 F239 I306 V333 F334 M336 L339	M230-I315 HydrophobicContact CE-CG2 3.95Å; M230-I315 HydrophobicContact SD-CG2 3.79Å; F239-I315 HydrophobicContact CE1-CD1 3.45Å; F239-I315 VanDerWaalsContact CE1-CD1 3.45Å; F239-I315 HydrophobicContact CE2-CD1 4.41Å; F239-I315 HydrophobicContact CZ-CD1 3.37Å; I306-I315 HydrophobicContact CB-CG2 4.48Å; I306-I315 HydrophobicContact CG1-CG2 3.98Å; I315-V333 CarbonylContact O-C 3.59Å; I315-V333 WeakPolarHBondContact O-CA 3.44Å; I315-F334 HydrophobicContact CD1-CB 4.49Å; I315-F334 HydrophobicContact CG1-CB 3.97Å; I315-F334 HydrophobicContact CG1-CD2 4.34Å; I315-F334 PolarHBondContact N-O 3.29Å; I315-F334 PolarHBondContact O-N 2.91Å; I315-M336 HydrophobicContact CD1-SD 3.91Å; I315-M336 HydrophobicContact CG1-SD 4.02Å; I315-M336 HydrophobicContact CG2-CG 4.26Å; I315-M336 HydrophobicContact CG2-SD 3.78Å; I315-L339 HydrophobicContact CD1-CD1 3.93Å
316	L	97.3	Very high	91.9	Very high	2 Å²	2	52 Å²	52	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.7	167.4	-84.2	61.7	0	0	0	108.4	T303 S304 I307 V331 C332 V333 M425 V427 L440	T303-L316 CarbonylContact C-O 3.55Å; T303-L316 WeakPolarHBondContact CA-O 3.19Å; S304-L316 PolarHBondContact N-O 3.07Å; S304-L316 PolarHBondContact OG-N 3.07Å; I307-L316 HydrophobicContact CD1-CD1 4.44Å; L316-V331 HydrophobicContact CB-CG1 4.24Å; L316-V331 HydrophobicContact CD2-CG1 3.97Å; L316-V331 HydrophobicContact CG-CG1 4.07Å; L316-C332 WeakPolarHBondContact CA-O 3.07Å; L316-V333 HydrophobicContact CD1-CG1 4.38Å; L316-V333 HydrophobicContact CD1-CG2 3.79Å; L316-V333 HydrophobicContact CG-CG2 3.97Å; L316-M425 HydrophobicContact CB-CE 3.68Å; L316-M425 HydrophobicContact CB-SD 3.93Å; L316-M425 HydrophobicContact CD2-SD 4.3Å; L316-M425 VanDerWaalsContact O-CE 3.27Å; L316-M425 WeakPolarHBondContact O-CE 3.05Å; L316-V427 HydrophobicContact CD2-CG2 4.08Å; L316-L440 HydrophobicContact CD2-CD1 3.85Å; L316-L440 HydrophobicContact CD2-CD2 4.35Å
317	G	97.9	Very high	91.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.6	168.1	0	0	0	0	0	110.6	F319 V331 C332	G317-F319 VanDerWaalsContact C-CE2 3.5Å; G317-F319 VanDerWaalsContact O-CD2 3.25Å; G317-F319 WeakPolarHBondContact O-CD2 3.31Å; G317-F319 WeakPolarHBondContact O-CE2 3.38Å; G317-V331 WeakPolarHBondContact O-CA 3.37Å; G317-C332 PolarHBondContact N-O 2.85Å; G317-C332 PolarHBondContact O-N 2.98Å
318	L	98.3	Very high	91.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.5	175.2	177.7	65.3	0	0	0	109.5	L300 H301 A302 V331 L422 M425 L442	L300-L318 CarbonylContact C-O 3.29Å; L300-L318 WeakPolarHBondContact CA-O 3.37Å; H301-L318 PolarHBondContact N-O 2.83Å; A302-L318 HydrophobicContact CB-CB 4.36Å; A302-L318 HydrophobicContact CB-CD2 4.5Å; A302-L318 PolarHBondContact O-N 3.43Å; L318-V331 HydrophobicContact CD1-CG2 3.63Å; L318-L422 HydrophobicContact CD1-CB 3.83Å; L318-L422 HydrophobicContact CD1-CD1 4.37Å; L318-L422 HydrophobicContact CD2-CB 4.06Å; L318-L422 HydrophobicContact CG-CB 4.36Å; L318-M425 HydrophobicContact CB-CE 4.05Å; L318-M425 HydrophobicContact CB-SD 4.19Å; L318-M425 HydrophobicContact CD2-CB 4.25Å; L318-L442 HydrophobicContact CD1-CD2 4.29Å
319	F	98	Very high	91.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	157.3	-174.9	-58.2	-103.6	0	0	0	112	L285 C287 F297 L299 L300 G317 S329 A330 C332 F334	L285-F319 HydrophobicContact CB-CE1 4.24Å; L285-F319 HydrophobicContact CB-CZ 4.22Å; L285-F319 HydrophobicContact CD1-CE1 4.43Å; L285-F319 HydrophobicContact CD1-CZ 4.29Å; C287-F319 HydrophobicContact CB-CD1 4.07Å; C287-F319 HydrophobicContact CB-CD2 3.61Å; C287-F319 HydrophobicContact CB-CE1 4.09Å; C287-F319 HydrophobicContact CB-CE2 3.65Å; C287-F319 HydrophobicContact CB-CG 3.83Å; C287-F319 HydrophobicContact CB-CZ 3.9Å; C287-F319 WeakPolarHBondContact SG-CD2 3.42Å; F297-F319 HydrophobicContact CB-CB 3.59Å; F297-F319 WeakPolarHBondContact O-CB 3.43Å; F297-F319 VanDerWaalsContact O-CD1 3.25Å; F297-F319 WeakPolarHBondContact O-CD1 3.21Å; L299-F319 CarbonylContact O-C 3.58Å; L299-F319 VanDerWaalsContact O-CA 3.22Å; L299-F319 WeakPolarHBondContact O-CA 3.26Å; L300-F319 HydrophobicContact CB-CD1 3.84Å; L300-F319 HydrophobicContact CB-CE1 3.81Å; L300-F319 HydrophobicContact CD1-CD1 4.09Å; L300-F319 HydrophobicContact CD1-CD2 4.26Å; L300-F319 HydrophobicContact CD1-CE1 3.74Å; L300-F319 HydrophobicContact CD1-CE2 3.91Å; L300-F319 HydrophobicContact CD1-CG 4.34Å; L300-F319 HydrophobicContact CD1-CZ 3.63Å; L300-F319 HydrophobicContact CG-CE1 4.34Å; G317-F319 VanDerWaalsContact C-CE2 3.5Å; G317-F319 VanDerWaalsContact O-CD2 3.25Å; G317-F319 WeakPolarHBondContact O-CD2 3.31Å; G317-F319 WeakPolarHBondContact O-CE2 3.38Å; F319-S329 CarbonylContact O-C 3.52Å; F319-S329 VanDerWaalsContact O-CA 3.23Å; F319-S329 WeakPolarHBondContact O-CA 3.35Å; F319-A330 PolarHBondContact N-O 3.24Å; F319-A330 PolarHBondContact O-N 2.86Å; F319-C332 HydrophobicContact CD2-CB 4.41Å; F319-C332 HydrophobicContact CE2-CB 4.03Å; F319-F334 AromaticContact CE2-CE2 3.68Å; F319-F334 HydrophobicContact CE2-CE2 3.68Å; F319-F334 AromaticContact CE2-CZ 3.81Å; F319-F334 HydrophobicContact CE2-CZ 3.81Å; F319-F334 AromaticContact CZ-CE2 3.64Å; F319-F334 HydrophobicContact CZ-CE2 3.64Å; F319-F334 AromaticContact CZ-CZ 3.61Å; F319-F334 HydrophobicContact CZ-CZ 3.61Å
320	S	96.6	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	169.1	166.1	84.3	0	0	0	0	113.7	F297 N298 L299 H301 G328	F297-S320 CarbonylContact C-O 3.59Å; N298-S320 PolarHBondContact N-O 2.69Å; L299-S320 PolarHBondContact N-O 3.13Å; L299-S320 PolarHBondContact O-N 3.35Å; H301-S320 WeakPolarHBondContact NE2-CB 3.34Å; H301-S320 PolarHBondContact NE2-OG 2.76Å; S320-G328 CarbonylContact C-O 3.54Å; S320-G328 WeakPolarHBondContact CA-O 3.36Å; S320-G328 VanDerWaalsContact CB-O 3.25Å; S320-G328 WeakPolarHBondContact CB-O 3.47Å
321	T	94.8	Very high	93.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	23%	0.225	C	C	.	.			trans	-71.7	160	161.3	61.3	0	0	0	0	111.1	F295 F297 S325 I326 G328 Q421	F295-T321 HydrophobicContact CE1-CG2 3.8Å; F295-T321 HydrophobicContact CZ-CG2 3.74Å; F297-T321 HydrophobicContact CD1-CG2 4.02Å; F297-T321 HydrophobicContact CE1-CG2 4.11Å; T321-S325 WeakPolarHBondContact CB-OG 3.45Å; T321-I326 WeakPolarHBondContact CB-O 3.28Å; T321-I326 PolarHBondContact OG1-O 3.22Å; T321-G328 PolarHBondContact N-O 3.2Å; T321-G328 PolarHBondContact OG1-N 2.98Å; T321-G328 PolarHBondContact OG1-O 2.92Å; T321-Q421 PolarHBondContact O-NE2 3.24Å
322	P	91.8	Very high	94	Very high	52 Å²	52	35.2 Å²	35.2	34%	0.338	20%	0.195	S	C	.	.			trans	-59.3	149.4	173.1	-25.5	35.9	0	0	0	113.8	N324 S325	P322-N324 PolarHBondContact O-N 2.86Å; P322-S325 WeakPolarHBondContact CD-OG 3.34Å; P322-S325 PolarHBondContact O-N 2.83Å; P322-S325 VanDerWaalsContact O-N 3.09Å; P322-S325 PolarHBondContact O-OG 3.39Å
323	P	85.9	Confident	94.2	Very high	98 Å²	98	30 Å²	30	64%	0.636	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.7	-177.6	27.1	-36	0	0	0	114	S325	P323-S325 PolarHBondContact O-N 3.02Å
324	N	85.9	Confident	94.2	Very high	167 Å²	167	27.4 Å²	27.4	89%	0.893	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	18.6	176.7	-60.9	-3.9	0	0	0	112.7	P322	P322-N324 PolarHBondContact O-N 2.86Å
325	S	88.7	Confident	94.2	Very high	52 Å²	52	27.4 Å²	27.4	36%	0.364	16%	0.161	S	C	.	.	S	Bend	trans	-134.7	176.4	-177.8	73.1	0	0	0	0	110.9	T321 P322 P323 P327	T321-S325 WeakPolarHBondContact CB-OG 3.45Å; P322-S325 WeakPolarHBondContact CD-OG 3.34Å; P322-S325 PolarHBondContact O-N 2.83Å; P322-S325 VanDerWaalsContact O-N 3.09Å; P322-S325 PolarHBondContact O-OG 3.39Å; P323-S325 PolarHBondContact O-N 3.02Å; S325-P327 WeakPolarHBondContact O-CD 3.18Å
326	I	89.3	Confident	94.1	Very high	134 Å²	134	27.3 Å²	27.3	69%	0.687	16%	0.161	S	C	*	.			trans	-57.3	124.4	175.9	-60.1	176.2	0	0	0	108.7	T321 G328	T321-I326 WeakPolarHBondContact CB-O 3.28Å; T321-I326 PolarHBondContact OG1-O 3.22Å; I326-G328 PolarHBondContact O-N 2.86Å
327	P	91.7	Very high	94.1	Very high	57 Å²	57	33.9 Å²	33.9	37%	0.37	19%	0.192	S	C	.	.			trans	-61.1	119.6	-179.7	-25.4	35.5	0	0	0	111.7	S325 Q421	S325-P327 WeakPolarHBondContact O-CD 3.18Å; P327-Q421 HydrophobicContact CB-CG 4.43Å
328	G	93.8	Very high	93.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.207	C	C	.	.			trans	-140.1	145.2	173.9	0	0	0	0	0	110	S320 T321 I326 K415	S320-G328 CarbonylContact C-O 3.54Å; S320-G328 WeakPolarHBondContact CA-O 3.36Å; S320-G328 VanDerWaalsContact CB-O 3.25Å; S320-G328 WeakPolarHBondContact CB-O 3.47Å; T321-G328 PolarHBondContact N-O 3.2Å; T321-G328 PolarHBondContact OG1-N 2.98Å; T321-G328 PolarHBondContact OG1-O 2.92Å; I326-G328 PolarHBondContact O-N 2.86Å; G328-K415 CarbonylContact C-O 3.53Å; G328-K415 WeakPolarHBondContact CA-O 3.2Å
329	S	96.3	Very high	93.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.2	174	-53.7	0	0	0	0	110.1	F319 K415 L422	F319-S329 CarbonylContact O-C 3.52Å; F319-S329 VanDerWaalsContact O-CA 3.23Å; F319-S329 WeakPolarHBondContact O-CA 3.35Å; S329-K415 PolarHBondContact N-O 3Å; S329-K415 PolarHBondContact O-N 2.04Å; S329-L422 PolarHBondContact OG-N 3.47Å
330	A	95.8	Very high	93.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.8	178.7	0	0	0	0	0	112.1	F297 F319 P411 V413 V414	F297-A330 HydrophobicContact CB-CB 4.3Å; F297-A330 HydrophobicContact CD1-CB 3.74Å; F297-A330 HydrophobicContact CD2-CB 3.55Å; F297-A330 HydrophobicContact CE1-CB 3.86Å; F297-A330 HydrophobicContact CE2-CB 3.69Å; F297-A330 HydrophobicContact CG-CB 3.59Å; F297-A330 HydrophobicContact CZ-CB 3.84Å; F319-A330 PolarHBondContact N-O 3.24Å; F319-A330 PolarHBondContact O-N 2.86Å; A330-P411 HydrophobicContact CB-CB 4.03Å; A330-P411 HydrophobicContact CB-CG 4.32Å; A330-V413 CarbonylContact C-O 3.58Å; A330-V413 WeakPolarHBondContact CA-O 3.47Å; A330-V414 HydrophobicContact CB-CG2 4.49Å
331	V	96.7	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.1	172	-179.5	0	0	0	0	108.7	L316 G317 L318 P411 W412 V413 M425 L440 L442	L316-V331 HydrophobicContact CB-CG1 4.24Å; L316-V331 HydrophobicContact CD2-CG1 3.97Å; L316-V331 HydrophobicContact CG-CG1 4.07Å; G317-V331 WeakPolarHBondContact O-CA 3.37Å; L318-V331 HydrophobicContact CD1-CG2 3.63Å; V331-P411 CarbonylContact O-C 3.55Å; V331-P411 WeakPolarHBondContact O-CB 3.25Å; V331-W412 PolarHBondContact O-N 3.04Å; V331-V413 HydrophobicContact CB-CB 4.07Å; V331-V413 HydrophobicContact CB-CG2 4.43Å; V331-V413 HydrophobicContact CG2-CB 4.14Å; V331-V413 PolarHBondContact N-O 3.49Å; V331-M425 HydrophobicContact CG1-SD 4.13Å; V331-M425 HydrophobicContact CG2-SD 4.45Å; V331-L440 HydrophobicContact CG1-CD2 4.16Å; V331-L440 HydrophobicContact CG2-CD2 4.28Å; V331-L442 HydrophobicContact CG2-CD1 3.75Å; V331-L442 HydrophobicContact CG2-CD2 3.97Å
332	C	96	Very high	94	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.4	176.4	-72.3	0	0	0	0	110.3	C287 L316 G317 F319 F334 L406	C287-C332 WeakPolarHBondContact CA-SG 3.38Å; C287-C332 HydrophobicContact CB-CB 3.75Å; C287-C332 WeakPolarHBondContact CB-SG 3.23Å; C287-C332 WeakPolarHBondContact SG-CB 3.49Å; C287-C332 CovalentContact SG-SG 2.04Å; C287-C332 PolarHBondContact SG-SG 2.79Å; L316-C332 WeakPolarHBondContact CA-O 3.07Å; G317-C332 PolarHBondContact N-O 2.85Å; G317-C332 PolarHBondContact O-N 2.98Å; F319-C332 HydrophobicContact CD2-CB 4.41Å; F319-C332 HydrophobicContact CE2-CB 4.03Å; C332-F334 HydrophobicContact CB-CE2 4.08Å; C332-F334 HydrophobicContact CB-CZ 3.84Å; C332-L406 HydrophobicContact CB-CB 4.24Å; C332-L406 HydrophobicContact CB-CD1 4.46Å
333	V	94.9	Very high	94.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.8	175	-178.3	0	0	0	0	109.1	V314 I315 L316 L406 L407 W412	V314-V333 HydrophobicContact CB-CG1 3.79Å; V314-V333 HydrophobicContact CG1-CG1 4.18Å; V314-V333 HydrophobicContact CG2-CG1 4.14Å; I315-V333 CarbonylContact O-C 3.59Å; I315-V333 WeakPolarHBondContact O-CA 3.44Å; L316-V333 HydrophobicContact CD1-CG1 4.38Å; L316-V333 HydrophobicContact CD1-CG2 3.79Å; L316-V333 HydrophobicContact CG-CG2 3.97Å; V333-L406 CarbonylContact O-C 3.55Å; V333-L406 VanDerWaalsContact O-CA 3.29Å; V333-L406 WeakPolarHBondContact O-CA 3.48Å; V333-L407 HydrophobicContact CB-CB 4.16Å; V333-L407 HydrophobicContact CG1-CB 4.09Å; V333-L407 HydrophobicContact CG1-CD2 3.93Å; V333-L407 PolarHBondContact O-N 3.35Å; V333-W412 HydrophobicContact CB-CD2 4.47Å; V333-W412 HydrophobicContact CB-CZ2 4.46Å; V333-W412 HydrophobicContact CG2-CD2 3.36Å; V333-W412 HydrophobicContact CG2-CE3 3.46Å; V333-W412 VanDerWaalsContact CG2-CE3 3.46Å; V333-W412 HydrophobicContact CG2-CG 3.9Å; V333-W412 HydrophobicContact CG2-CH2 4.04Å; V333-W412 HydrophobicContact CG2-CZ2 3.9Å; V333-W412 HydrophobicContact CG2-CZ3 3.81Å
334	F	96	Very high	94.7	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.7	173.6	-51.8	-81.3	0	0	0	109.6	L285 N286 C287 V314 I315 F319 C332 V404 P405 L406	L285-F334 HydrophobicContact CB-CZ 4.29Å; L285-F334 HydrophobicContact CD2-CE1 4.4Å; L285-F334 HydrophobicContact CD2-CE2 4.49Å; L285-F334 HydrophobicContact CD2-CZ 4.4Å; N286-F334 WeakPolarHBondContact O-CE1 3.5Å; C287-F334 HydrophobicContact CB-CZ 4.45Å; V314-F334 CarbonylContact C-O 3.55Å; V314-F334 VanDerWaalsContact CA-O 3.27Å; V314-F334 WeakPolarHBondContact CA-O 3.1Å; I315-F334 HydrophobicContact CD1-CB 4.49Å; I315-F334 HydrophobicContact CG1-CB 3.97Å; I315-F334 HydrophobicContact CG1-CD2 4.34Å; I315-F334 PolarHBondContact N-O 3.29Å; I315-F334 PolarHBondContact O-N 2.91Å; F319-F334 AromaticContact CE2-CE2 3.68Å; F319-F334 HydrophobicContact CE2-CE2 3.68Å; F319-F334 AromaticContact CE2-CZ 3.81Å; F319-F334 HydrophobicContact CE2-CZ 3.81Å; F319-F334 AromaticContact CZ-CE2 3.64Å; F319-F334 HydrophobicContact CZ-CE2 3.64Å; F319-F334 AromaticContact CZ-CZ 3.61Å; F319-F334 HydrophobicContact CZ-CZ 3.61Å; C332-F334 HydrophobicContact CB-CE2 4.08Å; C332-F334 HydrophobicContact CB-CZ 3.84Å; F334-V404 HydrophobicContact CB-CG1 4.37Å; F334-V404 HydrophobicContact CD1-CG1 3.83Å; F334-V404 HydrophobicContact CG-CG1 4.4Å; F334-P405 WeakPolarHBondContact CD1-O 3.06Å; F334-L406 HydrophobicContact CE1-CB 4.19Å
335	D	95.4	Very high	95.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.9	172	179.4	-45.2	0	0	0	109	R312 Q337 Q338 L339	R312-D335 WeakPolarHBondContact CD-OD2 3.47Å; R312-D335 IonicContact CZ-OD2 3.94Å; R312-D335 IonicContact NE-OD2 3.64Å; R312-D335 IonicContact NH1-OD2 2.68Å; R312-D335 PolarHBondContact NH1-OD2 2.73Å; D335-Q337 VanDerWaalsContact C-N 3.26Å; D335-Q337 PolarHBondContact O-N 2.82Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.04Å; D335-Q337 VanDerWaalsContact OD1-CB 3.23Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.24Å; D335-Q337 PolarHBondContact OD1-N 2.7Å; D335-Q338 HydrophobicContact CB-CB 4.08Å; D335-Q338 HydrophobicContact CB-CG 3.91Å; D335-Q338 PolarHBondContact O-N 3.2Å; D335-Q338 PolarHBondContact OD1-N 3.28Å; D335-L339 VanDerWaalsContact O-CB 3.3Å; D335-L339 WeakPolarHBondContact O-CB 3.38Å; D335-L339 PolarHBondContact O-N 2.85Å
336	M	96.1	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-29.5	-176.5	-73.4	-61.6	-65.5	0	0	112.8	M230 W232 Y237 I306 D313 I315 L339 A340	M230-M336 HydrophobicContact SD-CE 4.31Å; M230-M336 HydrophobicContact SD-SD 4.4Å; W232-M336 HydrophobicContact CB-CE 3.76Å; W232-M336 HydrophobicContact CD2-CB 4.31Å; W232-M336 HydrophobicContact CD2-CE 4.03Å; W232-M336 HydrophobicContact CE3-CE 4.39Å; W232-M336 HydrophobicContact CG-CE 3.77Å; W232-M336 HydrophobicContact CZ2-CB 4.04Å; Y237-M336 HydrophobicContact CD2-CE 4.22Å; Y237-M336 HydrophobicContact CE2-CE 4.32Å; I306-M336 HydrophobicContact CD1-CE 4.17Å; I306-M336 HydrophobicContact CG2-CG 4.35Å; D313-M336 HydrophobicContact CB-CB 4.17Å; D313-M336 HydrophobicContact CB-CG 4.35Å; D313-M336 WeakPolarHBondContact O-CB 3.43Å; D313-M336 PolarHBondContact O-N 3.27Å; I315-M336 HydrophobicContact CD1-SD 3.91Å; I315-M336 HydrophobicContact CG1-SD 4.02Å; I315-M336 HydrophobicContact CG2-CG 4.26Å; I315-M336 HydrophobicContact CG2-SD 3.78Å; M336-L339 HydrophobicContact SD-CD1 4.28Å; M336-A340 WeakPolarHBondContact O-CB 3.04Å; M336-A340 PolarHBondContact O-N 3.07Å
337	Q	95.7	Very high	96.1	Very high	140 Å²	140	30.5 Å²	30.5	65%	0.654	15%	0.15	S	C	*	.	H	α-helix	trans	-72.9	-41.2	176.7	-164.5	174.7	38.2	0	0	110.9	D335 A340 H341	D335-Q337 VanDerWaalsContact C-N 3.26Å; D335-Q337 PolarHBondContact O-N 2.82Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.04Å; D335-Q337 VanDerWaalsContact OD1-CB 3.23Å; D335-Q337 WeakPolarHBondContact OD1-CB 3.24Å; D335-Q337 PolarHBondContact OD1-N 2.7Å; Q337-A340 PolarHBondContact O-N 2.81Å; Q337-H341 PolarHBondContact O-N 3.18Å; Q337-H341 VanDerWaalsContact O-N 3.09Å
338	Q	95.3	Very high	96.3	Very high	71 Å²	71	29.6 Å²	29.6	33%	0.332	14%	0.14	S	C	.	.	H	α-helix	trans	-65.8	-42.4	172.7	-64	-176.6	-5.7	0	0	111.6	D335 A340 H341 V342	D335-Q338 HydrophobicContact CB-CB 4.08Å; D335-Q338 HydrophobicContact CB-CG 3.91Å; D335-Q338 PolarHBondContact O-N 3.2Å; D335-Q338 PolarHBondContact OD1-N 3.28Å; Q338-A340 VanDerWaalsContact C-N 3.31Å; Q338-A340 PolarHBondContact O-N 3.43Å; Q338-H341 PolarHBondContact O-N 3.42Å; Q338-V342 PolarHBondContact O-N 2.97Å
339	L	97.2	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-39.6	175.6	-177.5	155.2	0	0	0	111.8	Y237 F239 V258 I315 D335 M336 F343 V404	Y237-L339 HydrophobicContact CD1-CD2 3.59Å; Y237-L339 HydrophobicContact CE1-CD2 3.4Å; Y237-L339 VanDerWaalsContact CE1-CD2 3.4Å; F239-L339 HydrophobicContact CE1-CD1 4.23Å; F239-L339 HydrophobicContact CZ-CD1 4.22Å; V258-L339 HydrophobicContact CG1-CD1 4.2Å; V258-L339 HydrophobicContact CG1-CD2 4.39Å; V258-L339 HydrophobicContact CG1-CG 4.17Å; V258-L339 HydrophobicContact CG2-CD1 4.42Å; V258-L339 HydrophobicContact CG2-CD2 4.23Å; I315-L339 HydrophobicContact CD1-CD1 3.93Å; D335-L339 VanDerWaalsContact O-CB 3.3Å; D335-L339 WeakPolarHBondContact O-CB 3.38Å; D335-L339 PolarHBondContact O-N 2.85Å; M336-L339 HydrophobicContact SD-CD1 4.28Å; L339-F343 HydrophobicContact CD2-CE2 4.18Å; L339-F343 VanDerWaalsContact O-CD2 3.25Å; L339-F343 WeakPolarHBondContact O-CD2 3.31Å; L339-F343 WeakPolarHBondContact O-CE2 3.09Å; L339-V404 HydrophobicContact CB-CG1 3.83Å; L339-V404 HydrophobicContact CD1-CG1 4.23Å; L339-V404 HydrophobicContact CG-CG1 4.04Å; L339-V404 HydrophobicContact CG-CG2 4.19Å
340	A	96.7	Very high	96	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-39.9	175.5	0	0	0	0	0	112.7	W232 M336 Q337 Q338 V342 F343	W232-A340 HydrophobicContact CH2-CB 4.25Å; W232-A340 HydrophobicContact CZ3-CB 3.66Å; M336-A340 WeakPolarHBondContact O-CB 3.04Å; M336-A340 PolarHBondContact O-N 3.07Å; Q337-A340 PolarHBondContact O-N 2.81Å; Q338-A340 VanDerWaalsContact C-N 3.31Å; Q338-A340 PolarHBondContact O-N 3.43Å; A340-V342 VanDerWaalsContact C-N 3.35Å; A340-V342 PolarHBondContact O-N 3.4Å; A340-F343 PolarHBondContact O-N 2.93Å
341	H	96.4	Very high	95.5	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-30.2	-178.5	-170.2	53.9	0	0	0	113.6	Q337 Q338 F343 E344 G345	Q337-H341 PolarHBondContact O-N 3.18Å; Q337-H341 VanDerWaalsContact O-N 3.09Å; Q338-H341 PolarHBondContact O-N 3.42Å; H341-F343 PolarHBondContact O-N 2.82Å; H341-F343 VanDerWaalsContact O-N 3.11Å; H341-E344 IonicContact CE1-OE2 3.87Å; H341-E344 IonicContact CG-OE2 2.8Å; H341-E344 IonicContact ND1-OE2 2.78Å; H341-E344 PolarHBondContact ND1-OE2 2.61Å; H341-E344 WeakPolarHBondContact O-CA 3.4Å; H341-E344 VanDerWaalsContact O-CB 3.26Å; H341-E344 WeakPolarHBondContact O-CB 3.08Å; H341-E344 PolarHBondContact O-N 2.81Å; H341-G345 PolarHBondContact O-N 2.68Å
342	V	97.8	Very high	95	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.2	175	166.7	0	0	0	0	113.4	A283 Q338 A340 E344 M400 E402 V404	A283-V342 HydrophobicContact CB-CG1 3.64Å; Q338-V342 PolarHBondContact O-N 2.97Å; A340-V342 VanDerWaalsContact C-N 3.35Å; A340-V342 PolarHBondContact O-N 3.4Å; V342-E344 VanDerWaalsContact C-N 3.3Å; V342-M400 HydrophobicContact CG1-CB 4.47Å; V342-E402 HydrophobicContact CG1-CB 4.05Å; V342-V404 HydrophobicContact CB-CG2 4.32Å; V342-V404 HydrophobicContact CG1-CG2 4.21Å; V342-V404 HydrophobicContact CG2-CG2 4.33Å
343	F	97.8	Very high	94.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	173.3	-62.8	-81.5	0	0	0	113.6	Y237 V258 R260 L281 A283 L339 A340 H341 R369 M400	Y237-F343 HydrophobicContact CD1-CE2 4.48Å; Y237-F343 AromaticContact CE1-CE2 3.99Å; Y237-F343 HydrophobicContact CE1-CE2 3.99Å; V258-F343 HydrophobicContact CG1-CE2 4.44Å; V258-F343 HydrophobicContact CG1-CZ 4.18Å; R260-F343 HydrophobicContact CB-CZ 4.33Å; R260-F343 HydrophobicContact CG-CD1 4.11Å; R260-F343 HydrophobicContact CG-CD2 4.48Å; R260-F343 HydrophobicContact CG-CE1 4.14Å; R260-F343 HydrophobicContact CG-CG 4.27Å; R260-F343 HydrophobicContact CG-CZ 4.34Å; R260-F343 VanDerWaalsContact CZ-CB 3.42Å; R260-F343 VanDerWaalsContact NH1-CB 3.31Å; L281-F343 HydrophobicContact CB-CD1 3.66Å; L281-F343 HydrophobicContact CB-CE1 3.95Å; L281-F343 HydrophobicContact CD1-CD1 4.31Å; L281-F343 WeakPolarHBondContact O-CE1 3.46Å; A283-F343 HydrophobicContact CB-CE1 4.26Å; A283-F343 HydrophobicContact CB-CZ 4.24Å; L339-F343 HydrophobicContact CD2-CE2 4.18Å; L339-F343 VanDerWaalsContact O-CD2 3.25Å; L339-F343 WeakPolarHBondContact O-CD2 3.31Å; L339-F343 WeakPolarHBondContact O-CE2 3.09Å; A340-F343 PolarHBondContact O-N 2.93Å; H341-F343 PolarHBondContact O-N 2.82Å; H341-F343 VanDerWaalsContact O-N 3.11Å; F343-R369 PolarHBondContact O-NH2 2.85Å; F343-M400 HydrophobicContact CD1-CG 3.88Å; F343-M400 HydrophobicContact CD1-SD 4.26Å; F343-M400 HydrophobicContact CE1-CG 4.36Å
344	E	96.1	Very high	93.8	Very high	113 Å²	113	53.2 Å²	53.2	53%	0.528	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-20.9	172.5	-51.7	-179.9	148.3	0	0	111.4	H341 V342 R369	H341-E344 IonicContact CE1-OE2 3.87Å; H341-E344 IonicContact CG-OE2 2.8Å; H341-E344 IonicContact ND1-OE2 2.78Å; H341-E344 PolarHBondContact ND1-OE2 2.61Å; H341-E344 WeakPolarHBondContact O-CA 3.4Å; H341-E344 VanDerWaalsContact O-CB 3.26Å; H341-E344 WeakPolarHBondContact O-CB 3.08Å; H341-E344 PolarHBondContact O-N 2.81Å; V342-E344 VanDerWaalsContact C-N 3.3Å; E344-R369 VanDerWaalsContact C-NH2 3.26Å; E344-R369 PolarHBondContact O-NH1 2.79Å; E344-R369 PolarHBondContact O-NH2 2.87Å; E344-R369 VanDerWaalsContact O-NH2 3.09Å
345	G	96.2	Very high	93.4	Very high	12 Å²	12	54.6 Å²	54.6	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-67.5	-171.1	169.4	0	0	0	0	0	114.9	H341 R369 M400 E402	H341-G345 PolarHBondContact O-N 2.68Å; G345-R369 PolarHBondContact O-NH1 2.81Å; G345-R369 PolarHBondContact O-NH2 2.87Å; G345-M400 WeakPolarHBondContact O-CE 3.25Å; G345-E402 VanDerWaalsContact CA-OE1 3.24Å; G345-E402 WeakPolarHBondContact CA-OE1 3.48Å
346	R	97.6	Very high	93.1	Very high	101 Å²	101	60.4 Å²	60.4	38%	0.381	30%	0.301	S	S	.	.			trans	-75.7	149	-168.6	-59.7	178.4	-53.5	-170.3	6.9	113.4	P359 M400 D401 E402	R346-P359 HydrophobicContact CB-CB 4.37Å; R346-P359 VanDerWaalsContact CZ-CB 3.46Å; R346-M400 WeakPolarHBondContact O-CE 3.39Å; R346-D401 HydrophobicContact CB-CB 4.22Å; R346-D401 IonicContact CZ-OD2 3.05Å; R346-D401 IonicContact NE-OD2 3.51Å; R346-D401 IonicContact NH2-OD2 3.03Å; R346-D401 PolarHBondContact NH2-OD2 3.35Å; R346-D401 WeakPolarHBondContact O-CB 3.38Å; R346-D401 PolarHBondContact O-N 2.8Å; R346-E402 PolarHBondContact N-OE1 3.36Å
347	F	98.1	Very high	92.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-78.2	156.9	171.1	-59.7	-85.6	0	0	0	111.4	L281 P359 V360 V365 P370 F393 H397 M400	L281-F347 HydrophobicContact CD1-CE1 3.94Å; L281-F347 HydrophobicContact CD2-CD1 4.28Å; L281-F347 HydrophobicContact CD2-CE1 3.73Å; F347-P359 WeakPolarHBondContact O-CA 3.45Å; F347-V360 HydrophobicContact CB-CB 4.18Å; F347-V360 HydrophobicContact CB-CG2 3.92Å; F347-V360 PolarHBondContact O-N 3.23Å; F347-V365 HydrophobicContact CD2-CG1 4.37Å; F347-V365 HydrophobicContact CD2-CG2 3.88Å; F347-V365 HydrophobicContact CE2-CG1 3.78Å; F347-V365 HydrophobicContact CE2-CG2 4.11Å; F347-P370 HydrophobicContact CE1-CB 4.41Å; F347-P370 HydrophobicContact CZ-CB 3.97Å; F347-P370 HydrophobicContact CZ-CG 4.48Å; F347-F393 HydrophobicContact CB-CE1 4.21Å; F347-F393 HydrophobicContact CB-CZ 4.24Å; F347-F393 AromaticContact CD1-CE1 3.96Å; F347-F393 HydrophobicContact CD1-CE1 3.96Å; F347-F393 AromaticContact CD2-CE1 3.62Å; F347-F393 HydrophobicContact CD2-CE1 3.62Å; F347-F393 AromaticContact CD2-CZ 3.79Å; F347-F393 HydrophobicContact CD2-CZ 3.79Å; F347-F393 HydrophobicContact CE1-CE1 4.22Å; F347-F393 AromaticContact CE2-CE1 3.91Å; F347-F393 HydrophobicContact CE2-CE1 3.91Å; F347-F393 HydrophobicContact CE2-CZ 4.36Å; F347-F393 AromaticContact CG-CE1 3.65Å; F347-F393 HydrophobicContact CG-CE1 3.65Å; F347-F393 HydrophobicContact CG-CZ 4.01Å; F347-F393 HydrophobicContact CZ-CE1 4.2Å; F347-H397 HydrophobicContact CB-CB 4.37Å; F347-M400 HydrophobicContact CD1-CE 3.9Å; F347-M400 HydrophobicContact CD1-SD 3.89Å; F347-M400 HydrophobicContact CE1-CE 3.99Å; F347-M400 HydrophobicContact CE1-SD 3.98Å; F347-M400 HydrophobicContact CG-CE 4.32Å; F347-M400 HydrophobicContact CZ-CE 4.47Å
348	K	96.1	Very high	92.8	Very high	37 Å²	37	57.1 Å²	57.1	16%	0.161	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.6	175.1	-137.7	179.9	-165.5	75	0	110.6	W357 L399 D401	K348-W357 HydrophobicContact CB-CE3 4.23Å; K348-W357 HydrophobicContact CD-CB 4.29Å; K348-W357 HydrophobicContact CD-CE3 4.21Å; K348-W357 HydrophobicContact CG-CB 4.39Å; K348-W357 HydrophobicContact CG-CE3 4.14Å; K348-L399 HydrophobicContact CB-CB 4.46Å; K348-L399 HydrophobicContact CB-CD2 4.31Å; K348-L399 HydrophobicContact CB-CG 4.11Å; K348-L399 HydrophobicContact CD-CD2 3.97Å; K348-L399 HydrophobicContact CD-CG 4.33Å; K348-L399 PolarHBondContact N-O 2.98Å; K348-D401 HydrophobicContact CB-CB 4.38Å; K348-D401 HydrophobicContact CG-CB 4.24Å; K348-D401 PolarHBondContact NZ-O 2.99Å; K348-D401 IonicContact NZ-OD1 2.96Å; K348-D401 PolarHBondContact NZ-OD1 3.01Å
349	E	93.6	Very high	92.9	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.9	175.2	62.2	172.1	160.8	0	0	112.6	K351 W357 T358 V360	E349-K351 HydrophobicContact CG-CG 4.48Å; E349-K351 WeakPolarHBondContact OE1-CE 3.26Å; E349-K351 IonicContact OE1-NZ 2.65Å; E349-K351 PolarHBondContact OE1-NZ 2.86Å; E349-W357 CarbonylContact O-C 3.6Å; E349-W357 VanDerWaalsContact O-CA 3.29Å; E349-W357 WeakPolarHBondContact O-CA 3.32Å; E349-T358 WeakPolarHBondContact CG-O 3.26Å; E349-T358 PolarHBondContact N-O 2.03Å; E349-T358 PolarHBondContact O-N 3.5Å; E349-V360 HydrophobicContact CB-CG2 3.63Å; E349-V360 HydrophobicContact CG-CG2 3.67Å
350	Q	90.6	Very high	92.9	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.7	167.2	-155.8	-161.9	4.5	0	0	106.5	S352 P353 S355 W357	Q350-S352 WeakPolarHBondContact CG-O 3.36Å; Q350-S352 PolarHBondContact NE2-O 2.92Å; Q350-P353 PolarHBondContact NE2-O 2.76Å; Q350-S355 VanDerWaalsContact CG-O 3.25Å; Q350-S355 WeakPolarHBondContact CG-O 3.31Å; Q350-S355 PolarHBondContact NE2-O 3.36Å; Q350-W357 HydrophobicContact CB-CD2 3.88Å; Q350-W357 HydrophobicContact CB-CE3 4.25Å; Q350-W357 HydrophobicContact CB-CG 4.28Å; Q350-W357 HydrophobicContact CB-CH2 4.39Å; Q350-W357 HydrophobicContact CB-CZ2 4Å; Q350-W357 VanDerWaalsContact CD-NE1 3.34Å; Q350-W357 HydrophobicContact CG-CD2 4.19Å; Q350-W357 HydrophobicContact CG-CG 4.16Å; Q350-W357 HydrophobicContact CG-CZ2 4.45Å
351	K	85.8	Confident	92.9	Very high	144 Å²	144	58.4 Å²	58.4	63%	0.626	30%	0.301	S	S	*	.	S	Bend	trans	-76.9	-34.7	-166.1	-66.5	-176.2	177.6	-179.2	0	113.1	E349 S355	E349-K351 HydrophobicContact CG-CG 4.48Å; E349-K351 WeakPolarHBondContact OE1-CE 3.26Å; E349-K351 IonicContact OE1-NZ 2.65Å; E349-K351 PolarHBondContact OE1-NZ 2.86Å; K351-S355 PolarHBondContact N-OG 3.07Å
352	S	84.9	Confident	92.7	Very high	48 Å²	48	57 Å²	57	34%	0.336	30%	0.297	S	S	.	.	S	Bend	trans	-134.7	162.2	163	85	0	0	0	0	109.7	Q350 E354 S355	Q350-S352 WeakPolarHBondContact CG-O 3.36Å; Q350-S352 PolarHBondContact NE2-O 2.92Å; S352-E354 WeakPolarHBondContact CB-OE2 3.26Å; S352-E354 PolarHBondContact O-N 2.97Å; S352-E354 VanDerWaalsContact O-N 3.1Å; S352-E354 PolarHBondContact OG-N 3.1Å; S352-E354 PolarHBondContact OG-OE2 2.83Å; S352-S355 PolarHBondContact N-OG 3.36Å; S352-S355 PolarHBondContact O-N 2.73Å; S352-S355 PolarHBondContact O-OG 3.21Å; S352-S355 PolarHBondContact OG-N 3.12Å
353	P	83.1	Confident	92.6	Very high	100 Å²	100	64.8 Å²	64.8	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.8	179.1	-23.7	34.2	0	0	0	114.8	Q350	Q350-P353 PolarHBondContact NE2-O 2.76Å
354	E	82.8	Confident	92.4	Very high	139 Å²	139	67.7 Å²	67.7	65%	0.65	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-20.9	-179.6	-47	70	-150	0	0	112.6	S352	S352-E354 WeakPolarHBondContact CB-OE2 3.26Å; S352-E354 PolarHBondContact O-N 2.97Å; S352-E354 VanDerWaalsContact O-N 3.1Å; S352-E354 PolarHBondContact OG-N 3.1Å; S352-E354 PolarHBondContact OG-OE2 2.83Å
355	S	87.3	Confident	92.5	Very high	32 Å²	32	63 Å²	63	22%	0.224	34%	0.336	C	S	.	.	S	Bend	trans	-72.7	151.8	-177.8	70.7	0	0	0	0	112.6	Q350 K351 S352	Q350-S355 VanDerWaalsContact CG-O 3.25Å; Q350-S355 WeakPolarHBondContact CG-O 3.31Å; Q350-S355 PolarHBondContact NE2-O 3.36Å; K351-S355 PolarHBondContact N-OG 3.07Å; S352-S355 PolarHBondContact N-OG 3.36Å; S352-S355 PolarHBondContact O-N 2.73Å; S352-S355 PolarHBondContact O-OG 3.21Å; S352-S355 PolarHBondContact OG-N 3.12Å
356	I	89.3	Confident	92.5	Very high	124 Å²	124	62.9 Å²	62.9	64%	0.636	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-65.4	153.1	170.6	60.7	169.5	0	0	0	111.3	T358	I356-T358 HydrophobicContact CD1-CG2 4.45Å; I356-T358 HydrophobicContact CG1-CG2 4.19Å
357	W	92.3	Very high	92.3	Very high	33 Å²	33	66.7 Å²	66.7	13%	0.125	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.7	175.7	-73.3	68.6	0	0	0	110.7	M245 E246 K348 E349 Q350 L399	M245-W357 HydrophobicContact CB-CH2 4.24Å; M245-W357 HydrophobicContact CB-CZ2 3.72Å; M245-W357 PolarHBondContact O-NE1 2.87Å; E246-W357 HydrophobicContact CB-CB 4.35Å; E246-W357 HydrophobicContact CB-CD2 4.3Å; E246-W357 HydrophobicContact CB-CG 4.06Å; K348-W357 HydrophobicContact CB-CE3 4.23Å; K348-W357 HydrophobicContact CD-CB 4.29Å; K348-W357 HydrophobicContact CD-CE3 4.21Å; K348-W357 HydrophobicContact CG-CB 4.39Å; K348-W357 HydrophobicContact CG-CE3 4.14Å; E349-W357 CarbonylContact O-C 3.6Å; E349-W357 VanDerWaalsContact O-CA 3.29Å; E349-W357 WeakPolarHBondContact O-CA 3.32Å; Q350-W357 HydrophobicContact CB-CD2 3.88Å; Q350-W357 HydrophobicContact CB-CE3 4.25Å; Q350-W357 HydrophobicContact CB-CG 4.28Å; Q350-W357 HydrophobicContact CB-CH2 4.39Å; Q350-W357 HydrophobicContact CB-CZ2 4Å; Q350-W357 VanDerWaalsContact CD-NE1 3.34Å; Q350-W357 HydrophobicContact CG-CD2 4.19Å; Q350-W357 HydrophobicContact CG-CG 4.16Å; Q350-W357 HydrophobicContact CG-CZ2 4.45Å; W357-L399 HydrophobicContact CE3-CD2 4.18Å; W357-L399 HydrophobicContact CZ3-CD2 3.94Å
358	T	94.8	Very high	92	Very high	37 Å²	37	68.5 Å²	68.5	23%	0.227	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.1	-175.3	52.9	0	0	0	0	111.6	E349 I356	E349-T358 WeakPolarHBondContact CG-O 3.26Å; E349-T358 PolarHBondContact N-O 2.03Å; E349-T358 PolarHBondContact O-N 3.5Å; I356-T358 HydrophobicContact CD1-CG2 4.45Å; I356-T358 HydrophobicContact CG1-CG2 4.19Å
359	P	97	Very high	92	Very high	46 Å²	46	70.7 Å²	70.7	30%	0.299	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.1	167.4	25.1	-33.3	0	0	0	111.4	R346 F347 D401	R346-P359 HydrophobicContact CB-CB 4.37Å; R346-P359 VanDerWaalsContact CZ-CB 3.46Å; F347-P359 WeakPolarHBondContact O-CA 3.45Å; P359-D401 HydrophobicContact CB-CB 4.29Å
360	V	97.4	Very high	92.1	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.024	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.2	166.5	-178.1	0	0	0	0	108.9	F347 E349 A364 V365 F393	F347-V360 HydrophobicContact CB-CB 4.18Å; F347-V360 HydrophobicContact CB-CG2 3.92Å; F347-V360 PolarHBondContact O-N 3.23Å; E349-V360 HydrophobicContact CB-CG2 3.63Å; E349-V360 HydrophobicContact CG-CG2 3.67Å; V360-A364 HydrophobicContact CG1-CB 4.08Å; V360-V365 HydrophobicContact CG1-CG2 4.2Å; V360-F393 HydrophobicContact CG1-CE2 4.19Å; V360-F393 HydrophobicContact CG1-CZ 4.06Å; V360-F393 HydrophobicContact CG2-CZ 4.46Å
361	P	95.7	Very high	92.2	Very high	63 Å²	63	67.5 Å²	67.5	41%	0.409	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.6	140.3	170.4	-19.1	32.3	0	0	0	111.7	E363 A364	P361-E363 WeakPolarHBondContact CB-OE2 3.49Å; P361-E363 PolarHBondContact O-N 3.28Å; P361-E363 VanDerWaalsContact O-N 3.15Å; P361-A364 WeakPolarHBondContact O-CB 3.27Å; P361-A364 PolarHBondContact O-N 2.86Å
362	D	93.6	Very high	92.5	Very high	87 Å²	87	62.3 Å²	62.3	47%	0.465	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20.2	-175.9	-72.5	-52.8	0	0	0	113.3	A364 V365	D362-A364 VanDerWaalsContact C-N 3.26Å; D362-A364 PolarHBondContact O-N 3.45Å; D362-V365 PolarHBondContact O-N 2.91Å
363	E	94.4	Very high	92.8	Very high	171 Å²	171	61.5 Å²	61.5	80%	0.799	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-67.7	-25.5	172.3	-55.5	77.4	-169.8	0	0	112.8	P361	P361-E363 WeakPolarHBondContact CB-OE2 3.49Å; P361-E363 PolarHBondContact O-N 3.28Å; P361-E363 VanDerWaalsContact O-N 3.15Å
364	A	95.1	Very high	93.1	Very high	61 Å²	61	58.2 Å²	58.2	50%	0.504	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-91	-0.9	177.6	0	0	0	0	0	113	V360 P361 D362	V360-A364 HydrophobicContact CG1-CB 4.08Å; P361-A364 WeakPolarHBondContact O-CB 3.27Å; P361-A364 PolarHBondContact O-N 2.86Å; D362-A364 VanDerWaalsContact C-N 3.26Å; D362-A364 PolarHBondContact O-N 3.45Å
365	V	97.1	Very high	93	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.085	32%	0.316	C	S	.	.	S	Bend	trans	-86.1	118.1	177.8	179.7	0	0	0	0	109.6	F347 V360 D362 R369 P370 F393	F347-V365 HydrophobicContact CD2-CG1 4.37Å; F347-V365 HydrophobicContact CD2-CG2 3.88Å; F347-V365 HydrophobicContact CE2-CG1 3.78Å; F347-V365 HydrophobicContact CE2-CG2 4.11Å; V360-V365 HydrophobicContact CG1-CG2 4.2Å; D362-V365 PolarHBondContact O-N 2.91Å; V365-R369 HydrophobicContact CG1-CG 4.34Å; V365-P370 HydrophobicContact CG1-CG 4.37Å; V365-F393 HydrophobicContact CG2-CZ 4.13Å
366	P	96.4	Very high	92.6	Very high	10 Å²	10	63.1 Å²	63.1	7%	0.065	35%	0.345	C	S	.	.			trans	-70.9	165.8	-176.1	30.2	-36.5	0	0	0	112.4	P368 P370 E389 V390 F393	P366-P368 CarbonylContact O-C 3.54Å; P366-P370 HydrophobicContact CG-CG 3.87Å; P366-P370 WeakPolarHBondContact O-CD 3.34Å; P366-E389 HydrophobicContact CB-CG 3.83Å; P366-E389 HydrophobicContact CG-CG 4.37Å; P366-V390 HydrophobicContact CB-CG2 3.96Å; P366-V390 HydrophobicContact CG-CG2 4.1Å; P366-F393 HydrophobicContact CG-CB 3.79Å; P366-F393 HydrophobicContact CG-CD2 3.97Å; P366-F393 HydrophobicContact CG-CG 3.94Å
367	K	92.8	Very high	92.1	Very high	180 Å²	180	61.4 Å²	61.4	78%	0.783	36%	0.358	S	S	*	.	S	Bend	trans	-121.5	131.4	-174.9	-68.2	173	-176.2	169.5	0	110.6
368	P	93.2	Very high	91.8	Very high	39 Å²	39	62.2 Å²	62.2	25%	0.253	37%	0.369	S	S	.	.	S	Bend	cis	-66.9	155.1	2	31.5	-38.3	0	0	0	112.6	P366 F380 L386 V390	P366-P368 CarbonylContact O-C 3.54Å; P368-F380 HydrophobicContact CB-CD2 4.19Å; P368-F380 HydrophobicContact CG-CB 4.44Å; P368-F380 HydrophobicContact CG-CD1 4.47Å; P368-F380 HydrophobicContact CG-CD2 3.68Å; P368-F380 HydrophobicContact CG-CE2 4Å; P368-F380 HydrophobicContact CG-CG 3.93Å; P368-L386 HydrophobicContact CG-CD2 3.61Å; P368-V390 WeakPolarHBondContact O-CG1 3.24Å; P368-V390 WeakPolarHBondContact O-CG2 3.34Å
369	R	94.8	Very high	91.2	Very high	82 Å²	82	70.9 Å²	70.9	31%	0.309	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58.5	127.1	-173	-178.7	177	160.8	100.2	6.8	110.9	F343 E344 G345 V365 G372	F343-R369 PolarHBondContact O-NH2 2.85Å; E344-R369 VanDerWaalsContact C-NH2 3.26Å; E344-R369 PolarHBondContact O-NH1 2.79Å; E344-R369 PolarHBondContact O-NH2 2.87Å; E344-R369 VanDerWaalsContact O-NH2 3.09Å; G345-R369 PolarHBondContact O-NH1 2.81Å; G345-R369 PolarHBondContact O-NH2 2.87Å; V365-R369 HydrophobicContact CG1-CG 4.34Å; R369-G372 PolarHBondContact O-N 3.07Å
370	P	96.4	Very high	90.5	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.006	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	141.5	174.4	-28.6	34.4	0	0	0	113.3	F347 V365 P366 G372 V390 F393 V394	F347-P370 HydrophobicContact CE1-CB 4.41Å; F347-P370 HydrophobicContact CZ-CB 3.97Å; F347-P370 HydrophobicContact CZ-CG 4.48Å; V365-P370 HydrophobicContact CG1-CG 4.37Å; P366-P370 HydrophobicContact CG-CG 3.87Å; P366-P370 WeakPolarHBondContact O-CD 3.34Å; P370-G372 VanDerWaalsContact C-N 3.32Å; P370-G372 PolarHBondContact O-N 2.89Å; P370-V390 HydrophobicContact CB-CG1 4.41Å; P370-V390 HydrophobicContact CG-CG1 4.13Å; P370-F393 HydrophobicContact CB-CD1 3.81Å; P370-F393 HydrophobicContact CB-CE1 4.36Å; P370-F393 HydrophobicContact CG-CB 4.15Å; P370-F393 HydrophobicContact CG-CD1 3.43Å; P370-F393 VanDerWaalsContact CG-CD1 3.43Å; P370-F393 HydrophobicContact CG-CE1 4Å; P370-F393 HydrophobicContact CG-CG 3.91Å; P370-V394 HydrophobicContact CB-CB 4.16Å
371	G	91.7	Very high	89.9	Confident	3 Å²	3	73.4 Å²	73.4	3%	0.031	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	12.6	175.8	0	0	0	0	0	116.5	R260	R260-G371 PolarHBondContact NH2-O 3.29Å
372	G	91.8	Very high	89.6	Confident	34 Å²	34	72.4 Å²	72.4	35%	0.351	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-91.8	152.6	166.1	0	0	0	0	0	112.5	R369 P370	R369-G372 PolarHBondContact O-N 3.07Å; P370-G372 VanDerWaalsContact C-N 3.32Å; P370-G372 PolarHBondContact O-N 2.89Å
373	C	92.9	Very high	89.5	Confident	32 Å²	32	68.4 Å²	68.4	22%	0.216	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-74	144.7	177.8	-49.6	0	0	0	0	111.8	H235 C262 V375	H235-C373 PolarHBondContact NE2-SG 2.03Å; H235-C373 VanDerWaalsContact NE2-SG 3.43Å; C262-C373 HydrophobicContact CB-CB 3.79Å; C262-C373 WeakPolarHBondContact CB-SG 3.22Å; C262-C373 WeakPolarHBondContact SG-CA 3.25Å; C262-C373 WeakPolarHBondContact SG-CB 3.43Å; C262-C373 PolarHBondContact SG-N 2.96Å; C262-C373 VanDerWaalsContact SG-N 3.4Å; C262-C373 CovalentContact SG-SG 2.03Å; C262-C373 PolarHBondContact SG-SG 3.43Å; C373-V375 PolarHBondContact O-N 3.4Å
374	A	88.2	Confident	89.4	Confident	30 Å²	30	63.4 Å²	63.4	25%	0.248	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-65	132.7	173.7	0	0	0	0	0	110.9
375	V	81.5	Confident	89.3	Confident	95 Å²	95	63.8 Å²	63.8	58%	0.576	36%	0.359	S	S	*	.			trans	-108.5	122.6	-175.1	-178.2	0	0	0	0	109.7	C373 S378	C373-V375 PolarHBondContact O-N 3.4Å; V375-S378 VanDerWaalsContact O-CB 3.25Å; V375-S378 WeakPolarHBondContact O-CB 3.36Å; V375-S378 PolarHBondContact O-N 3.03Å; V375-S378 VanDerWaalsContact O-N 3.13Å; V375-S378 PolarHBondContact O-OG 2.94Å
376	Q	79.4	Confident	89.1	Confident	180 Å²	180	64.2 Å²	64.2	84%	0.841	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	141.8	177	-64.6	-174.8	-0.4	0	0	111.1	S378	Q376-S378 PolarHBondContact O-N 2.93Å
377	G	78.4	Confident	89	Confident	87 Å²	87	65.7 Å²	65.7	90%	0.897	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-9.7	-174.7	0	0	0	0	0	115.5
378	S	86.1	Confident	89.2	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	34%	0.343	S	S	.	.	S	Bend	trans	-79.4	168.4	170.4	82.6	0	0	0	0	112.1	V375 Q376 F380	V375-S378 VanDerWaalsContact O-CB 3.25Å; V375-S378 WeakPolarHBondContact O-CB 3.36Å; V375-S378 PolarHBondContact O-N 3.03Å; V375-S378 VanDerWaalsContact O-N 3.13Å; V375-S378 PolarHBondContact O-OG 2.94Å; Q376-S378 PolarHBondContact O-N 2.93Å; S378-F380 PolarHBondContact O-N 3.4Å; S378-F380 VanDerWaalsContact O-N 3.12Å; S378-F380 PolarHBondContact OG-N 3.49Å; S378-F380 PolarHBondContact OG-O 2.82Å
379	R	81.1	Confident	89.3	Confident	219 Å²	219	63.3 Å²	63.3	83%	0.826	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	172.7	-177.6	174.8	178.2	-174.6	-0.4	113.5
380	F	82.9	Confident	89.4	Confident	45 Å²	45	59.6 Å²	59.6	20%	0.197	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	64.2	-177.8	-53.5	-75	0	0	0	109	P368 S378 T382 L386 P387	P368-F380 HydrophobicContact CB-CD2 4.19Å; P368-F380 HydrophobicContact CG-CB 4.44Å; P368-F380 HydrophobicContact CG-CD1 4.47Å; P368-F380 HydrophobicContact CG-CD2 3.68Å; P368-F380 HydrophobicContact CG-CE2 4Å; P368-F380 HydrophobicContact CG-CG 3.93Å; S378-F380 PolarHBondContact O-N 3.4Å; S378-F380 VanDerWaalsContact O-N 3.12Å; S378-F380 PolarHBondContact OG-N 3.49Å; S378-F380 PolarHBondContact OG-O 2.82Å; F380-T382 VanDerWaalsContact C-N 3.26Å; F380-T382 PolarHBondContact O-N 3.27Å; F380-L386 HydrophobicContact CB-CD2 4.14Å; F380-L386 HydrophobicContact CG-CD2 4.46Å; F380-P387 HydrophobicContact CE1-CG 3.87Å; F380-P387 HydrophobicContact CZ-CG 4.28Å
381	S	83.8	Confident	89.4	Confident	57 Å²	57	59.6 Å²	59.6	40%	0.399	35%	0.346	S	S	.	.			trans	-70.2	-18	-173.3	56.4	0	0	0	0	114.3
382	T	89.5	Confident	89.6	Confident	42 Å²	42	62.8 Å²	62.8	26%	0.258	36%	0.363	S	S	.	.	S	Bend	trans	-139.1	149.8	173.6	60.5	0	0	0	0	111.3	L266 F380 T384 T385	L266-T382 HydrophobicContact CD1-CG2 3.97Å; F380-T382 VanDerWaalsContact C-N 3.26Å; F380-T382 PolarHBondContact O-N 3.27Å; T382-T384 PolarHBondContact O-N 3.38Å; T382-T384 PolarHBondContact OG1-OG1 3.08Å; T382-T385 PolarHBondContact O-N 3.12Å; T382-T385 PolarHBondContact O-OG1 2.96Å; T382-T385 WeakPolarHBondContact OG1-CG2 3.1Å
383	S	91.9	Very high	89.9	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.021	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-57.9	-31.2	178.7	57.5	0	0	0	0	113.5	D265 L266 G267 T278 T385 L386	D265-S383 PolarHBondContact OD1-OG 2.83Å; L266-S383 WeakPolarHBondContact CA-OG 3.25Å; L266-S383 WeakPolarHBondContact CB-OG 3.3Å; L266-S383 PolarHBondContact N-OG 3.26Å; G267-S383 PolarHBondContact N-OG 2.85Å; G267-S383 CarbonylContact O-C 3.53Å; G267-S383 VanDerWaalsContact O-C 3.29Å; G267-S383 VanDerWaalsContact O-CB 3.28Å; G267-S383 WeakPolarHBondContact O-CB 3.36Å; G267-S383 PolarHBondContact O-OG 2.84Å; T278-S383 VanDerWaalsContact OG1-CB 3.3Å; T278-S383 WeakPolarHBondContact OG1-CB 3.44Å; S383-T385 PolarHBondContact O-N 3.29Å; S383-L386 VanDerWaalsContact O-CB 3.3Å; S383-L386 WeakPolarHBondContact O-CB 3.25Å; S383-L386 VanDerWaalsContact O-CG 3.31Å; S383-L386 WeakPolarHBondContact O-CG 3.14Å; S383-L386 PolarHBondContact O-N 2.89Å; S383-L386 VanDerWaalsContact O-N 3.12Å
384	T	92.8	Very high	90.1	Very high	66 Å²	66	60.7 Å²	60.7	41%	0.405	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-64.8	-17.7	176.5	53.2	0	0	0	0	113.9	L266 G267 T382	L266-T384 HydrophobicContact CB-CG2 4.26Å; G267-T384 WeakPolarHBondContact O-CG2 3.24Å; G267-T384 PolarHBondContact O-N 2.85Å; T382-T384 PolarHBondContact O-N 3.38Å; T382-T384 PolarHBondContact OG1-OG1 3.08Å
385	T	92.1	Very high	90.5	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.423	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-97.1	2	176.2	62.3	0	0	0	0	113.8	T382 S383	T382-T385 PolarHBondContact O-N 3.12Å; T382-T385 PolarHBondContact O-OG1 2.96Å; T382-T385 WeakPolarHBondContact OG1-CG2 3.1Å; S383-T385 PolarHBondContact O-N 3.29Å
386	L	93.7	Very high	91.2	Very high	24 Å²	24	61 Å²	61	13%	0.126	33%	0.333	C	S	.	.	S	Bend	trans	-65.3	145.3	177.6	-70.3	170.4	0	0	0	111.5	P368 F380 S383 L391	P368-L386 HydrophobicContact CG-CD2 3.61Å; F380-L386 HydrophobicContact CB-CD2 4.14Å; F380-L386 HydrophobicContact CG-CD2 4.46Å; S383-L386 VanDerWaalsContact O-CB 3.3Å; S383-L386 WeakPolarHBondContact O-CB 3.25Å; S383-L386 VanDerWaalsContact O-CG 3.31Å; S383-L386 WeakPolarHBondContact O-CG 3.14Å; S383-L386 PolarHBondContact O-N 2.89Å; S383-L386 VanDerWaalsContact O-N 3.12Å; L386-L391 HydrophobicContact CB-CD1 4.26Å; L386-L391 HydrophobicContact CB-CD2 3.96Å; L386-L391 HydrophobicContact CB-CG 3.97Å; L386-L391 HydrophobicContact CD1-CD2 4.01Å
387	P	94.6	Very high	92	Very high	41 Å²	41	53.8 Å²	53.8	27%	0.266	30%	0.299	S	S	.	.			trans	-61.5	141	174.7	-20.9	32.8	0	0	0	111.9	F380 E389 V390 L391	F380-P387 HydrophobicContact CE1-CG 3.87Å; F380-P387 HydrophobicContact CZ-CG 4.28Å; P387-E389 PolarHBondContact O-N 3.09Å; P387-E389 VanDerWaalsContact O-N 3.08Å; P387-V390 HydrophobicContact CB-CG2 4.29Å; P387-V390 HydrophobicContact CG-CG2 4.22Å; P387-V390 WeakPolarHBondContact O-CB 3.49Å; P387-V390 PolarHBondContact O-N 2.7Å; P387-L391 PolarHBondContact O-N 2.86Å; P387-L391 VanDerWaalsContact O-N 3.08Å
388	D	95.8	Very high	92.9	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-27.9	176.3	-78	32.3	0	0	0	113.2	S269 R271 V272 L391 N392	S269-D388 PolarHBondContact OG-OD1 2.81Å; R271-D388 VanDerWaalsContact CB-OD2 3.3Å; R271-D388 WeakPolarHBondContact CB-OD2 3.42Å; R271-D388 IonicContact CZ-OD1 3.76Å; R271-D388 IonicContact CZ-OD2 3.23Å; R271-D388 IonicContact NE-OD1 2.73Å; R271-D388 PolarHBondContact NE-OD1 3.11Å; R271-D388 IonicContact NE-OD2 2.72Å; R271-D388 PolarHBondContact NE-OD2 3.09Å; R271-D388 IonicContact NH2-OD1 2.8Å; R271-D388 PolarHBondContact NH2-OD1 2.86Å; R271-D388 IonicContact NH2-OD2 2.74Å; R271-D388 PolarHBondContact NH2-OD2 3.16Å; V272-D388 HydrophobicContact CG2-CB 3.95Å; D388-L391 PolarHBondContact O-N 3.31Å; D388-N392 VanDerWaalsContact O-CB 3.31Å; D388-N392 WeakPolarHBondContact O-CB 3.18Å; D388-N392 PolarHBondContact O-N 2.84Å; D388-N392 PolarHBondContact O-ND2 2.64Å
389	E	96.3	Very high	93.5	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	24%	0.242	S	C	*	.	H	α-helix	trans	-61.8	-50.5	173.3	-173	-175.2	-179.7	0	0	111.7	P366 P387 L391 N392 F393	P366-E389 HydrophobicContact CB-CG 3.83Å; P366-E389 HydrophobicContact CG-CG 4.37Å; P387-E389 PolarHBondContact O-N 3.09Å; P387-E389 VanDerWaalsContact O-N 3.08Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 2.94Å; E389-N392 PolarHBondContact O-N 3.01Å; E389-F393 WeakPolarHBondContact O-CB 3.44Å; E389-F393 PolarHBondContact O-N 2.86Å
390	V	96.1	Very high	94.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-40.9	176.5	177.7	0	0	0	0	110.8	P366 P368 P370 P387 F393 V394	P366-V390 HydrophobicContact CB-CG2 3.96Å; P366-V390 HydrophobicContact CG-CG2 4.1Å; P368-V390 WeakPolarHBondContact O-CG1 3.24Å; P368-V390 WeakPolarHBondContact O-CG2 3.34Å; P370-V390 HydrophobicContact CB-CG1 4.41Å; P370-V390 HydrophobicContact CG-CG1 4.13Å; P387-V390 HydrophobicContact CB-CG2 4.29Å; P387-V390 HydrophobicContact CG-CG2 4.22Å; P387-V390 WeakPolarHBondContact O-CB 3.49Å; P387-V390 PolarHBondContact O-N 2.7Å; V390-F393 PolarHBondContact O-N 2.72Å; V390-V394 PolarHBondContact O-N 2.8Å
391	L	96.9	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-38.8	179.2	-64.5	172.8	0	0	0	112.4	V272 L273 T278 L386 P387 D388 E389 V394 K395	V272-L391 HydrophobicContact CB-CB 3.81Å; V272-L391 HydrophobicContact CB-CD1 4.23Å; V272-L391 HydrophobicContact CG1-CB 3.56Å; L273-L391 HydrophobicContact CD1-CB 4.31Å; L273-L391 HydrophobicContact CD1-CD2 4.25Å; L273-L391 VanDerWaalsContact CD1-O 3.28Å; L273-L391 WeakPolarHBondContact CD1-O 3.47Å; T278-L391 HydrophobicContact CG2-CD2 3.49Å; T278-L391 VanDerWaalsContact CG2-CD2 3.49Å; L386-L391 HydrophobicContact CB-CD1 4.26Å; L386-L391 HydrophobicContact CB-CD2 3.96Å; L386-L391 HydrophobicContact CB-CG 3.97Å; L386-L391 HydrophobicContact CD1-CD2 4.01Å; P387-L391 PolarHBondContact O-N 2.86Å; P387-L391 VanDerWaalsContact O-N 3.08Å; D388-L391 PolarHBondContact O-N 3.31Å; E389-L391 VanDerWaalsContact C-N 3.32Å; E389-L391 PolarHBondContact O-N 2.94Å; L391-V394 WeakPolarHBondContact O-CG1 3.5Å; L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.33Å; L391-K395 PolarHBondContact O-N 3.16Å; L391-K395 VanDerWaalsContact O-N 3.17Å
392	N	97.1	Very high	95.6	Very high	70 Å²	70	37.2 Å²	37.2	37%	0.374	20%	0.198	S	C	.	.	H	α-helix	trans	-71.6	-34.3	173.6	-78.9	-59	0	0	0	111.8	V272 D388 E389 T396	V272-N392 WeakPolarHBondContact CG1-OD1 3.42Å; D388-N392 VanDerWaalsContact O-CB 3.31Å; D388-N392 WeakPolarHBondContact O-CB 3.18Å; D388-N392 PolarHBondContact O-N 2.84Å; D388-N392 PolarHBondContact O-ND2 2.64Å; E389-N392 PolarHBondContact O-N 3.01Å; N392-T396 WeakPolarHBondContact O-CB 3.41Å; N392-T396 WeakPolarHBondContact O-CG2 3.35Å; N392-T396 PolarHBondContact O-N 3.34Å; N392-T396 VanDerWaalsContact O-N 3.14Å; N392-T396 PolarHBondContact O-OG1 2.85Å
393	F	97.6	Very high	95.9	Very high	22 Å²	22	37.6 Å²	37.6	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-54.4	175.1	-171.1	-74.2	0	0	0	111.3	F347 V360 V365 P366 P370 E389 V390 K395 T396 H397	F347-F393 HydrophobicContact CB-CE1 4.21Å; F347-F393 HydrophobicContact CB-CZ 4.24Å; F347-F393 AromaticContact CD1-CE1 3.96Å; F347-F393 HydrophobicContact CD1-CE1 3.96Å; F347-F393 AromaticContact CD2-CE1 3.62Å; F347-F393 HydrophobicContact CD2-CE1 3.62Å; F347-F393 AromaticContact CD2-CZ 3.79Å; F347-F393 HydrophobicContact CD2-CZ 3.79Å; F347-F393 HydrophobicContact CE1-CE1 4.22Å; F347-F393 AromaticContact CE2-CE1 3.91Å; F347-F393 HydrophobicContact CE2-CE1 3.91Å; F347-F393 HydrophobicContact CE2-CZ 4.36Å; F347-F393 AromaticContact CG-CE1 3.65Å; F347-F393 HydrophobicContact CG-CE1 3.65Å; F347-F393 HydrophobicContact CG-CZ 4.01Å; F347-F393 HydrophobicContact CZ-CE1 4.2Å; V360-F393 HydrophobicContact CG1-CE2 4.19Å; V360-F393 HydrophobicContact CG1-CZ 4.06Å; V360-F393 HydrophobicContact CG2-CZ 4.46Å; V365-F393 HydrophobicContact CG2-CZ 4.13Å; P366-F393 HydrophobicContact CG-CB 3.79Å; P366-F393 HydrophobicContact CG-CD2 3.97Å; P366-F393 HydrophobicContact CG-CG 3.94Å; P370-F393 HydrophobicContact CB-CD1 3.81Å; P370-F393 HydrophobicContact CB-CE1 4.36Å; P370-F393 HydrophobicContact CG-CB 4.15Å; P370-F393 HydrophobicContact CG-CD1 3.43Å; P370-F393 VanDerWaalsContact CG-CD1 3.43Å; P370-F393 HydrophobicContact CG-CE1 4Å; P370-F393 HydrophobicContact CG-CG 3.91Å; E389-F393 WeakPolarHBondContact O-CB 3.44Å; E389-F393 PolarHBondContact O-N 2.86Å; V390-F393 PolarHBondContact O-N 2.72Å; F393-K395 VanDerWaalsContact C-N 3.26Å; F393-K395 PolarHBondContact O-N 2.88Å; F393-T396 PolarHBondContact O-N 2.81Å; F393-T396 PolarHBondContact O-OG1 3.46Å; F393-T396 VanDerWaalsContact O-OG1 3.13Å; F393-H397 HydrophobicContact CD1-CB 4.06Å; F393-H397 AromaticContact CD1-ND1 3.95Å; F393-H397 AromaticContact CD2-ND1 3.93Å; F393-H397 HydrophobicContact CE1-CB 3.75Å; F393-H397 AromaticContact CE2-ND1 4Å; F393-H397 AromaticContact CG-ND1 3.92Å; F393-H397 HydrophobicContact CZ-CB 4.29Å; F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 3.25Å; F393-H397 PolarHBondContact O-ND1 2.75Å
394	V	96.8	Very high	96.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-35	179.8	70.9	0	0	0	0	112	L273 T278 L281 P370 V390 L391 T396	L273-V394 HydrophobicContact CD1-CG1 3.61Å; T278-V394 WeakPolarHBondContact O-CG1 3.33Å; L281-V394 HydrophobicContact CD2-CG2 4.02Å; P370-V394 HydrophobicContact CB-CB 4.16Å; V390-V394 PolarHBondContact O-N 2.8Å; L391-V394 WeakPolarHBondContact O-CG1 3.5Å; V394-T396 VanDerWaalsContact C-N 3.26Å; V394-T396 PolarHBondContact O-N 2.9Å
395	K	96.8	Very high	96.2	Very high	74 Å²	74	36.4 Å²	36.4	32%	0.322	19%	0.194	S	C	.	.	H	α-helix	trans	-59.1	-35.7	173.4	-177.4	-179	173.9	-169.7	0	112.9	W220 L273 L391 F393	W220-K395 PolarHBondContact NE1-O 3.49Å; L273-K395 HydrophobicContact CD1-CB 4.2Å; L273-K395 HydrophobicContact CD2-CB 4.11Å; L273-K395 HydrophobicContact CD2-CD 4.28Å; L273-K395 HydrophobicContact CD2-CG 4.11Å; L273-K395 HydrophobicContact CG-CB 4.31Å; L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.33Å; L391-K395 PolarHBondContact O-N 3.16Å; L391-K395 VanDerWaalsContact O-N 3.17Å; F393-K395 VanDerWaalsContact C-N 3.26Å; F393-K395 PolarHBondContact O-N 2.88Å
396	T	95.9	Very high	96.2	Very high	56 Å²	56	33.5 Å²	33.5	34%	0.344	18%	0.176	S	C	.	.	H	α-helix	trans	-100.9	-16.2	-173.2	50.7	0	0	0	0	114.4	K219 N392 F393 V394 P398	K219-T396 VanDerWaalsContact CD-O 3.32Å; K219-T396 WeakPolarHBondContact CD-O 3.41Å; K219-T396 PolarHBondContact NZ-O 3.01Å; N392-T396 WeakPolarHBondContact O-CB 3.41Å; N392-T396 WeakPolarHBondContact O-CG2 3.35Å; N392-T396 PolarHBondContact O-N 3.34Å; N392-T396 VanDerWaalsContact O-N 3.14Å; N392-T396 PolarHBondContact O-OG1 2.85Å; F393-T396 PolarHBondContact O-N 2.81Å; F393-T396 PolarHBondContact O-OG1 3.46Å; F393-T396 VanDerWaalsContact O-OG1 3.13Å; V394-T396 VanDerWaalsContact C-N 3.26Å; V394-T396 PolarHBondContact O-N 2.9Å; T396-P398 VanDerWaalsContact C-CD 3.42Å
397	H	96.8	Very high	96	Very high	29 Å²	29	33.8 Å²	33.8	13%	0.134	18%	0.177	C	C	.	.			trans	-128.5	56.8	-179.3	-55.4	95.2	0	0	0	113.1	F347 F393 L399	F347-H397 HydrophobicContact CB-CB 4.37Å; F393-H397 HydrophobicContact CD1-CB 4.06Å; F393-H397 AromaticContact CD1-ND1 3.95Å; F393-H397 AromaticContact CD2-ND1 3.93Å; F393-H397 HydrophobicContact CE1-CB 3.75Å; F393-H397 AromaticContact CE2-ND1 4Å; F393-H397 AromaticContact CG-ND1 3.92Å; F393-H397 HydrophobicContact CZ-CB 4.29Å; F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 3.25Å; F393-H397 PolarHBondContact O-ND1 2.75Å; H397-L399 PolarHBondContact O-N 3.18Å
398	P	97.4	Very high	95.5	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.019	18%	0.179	C	C	.	.			trans	-73.1	-6.6	178.6	32.1	-37.5	0	0	0	113.9	K219 W220 F280 L281 K282 T396	K219-P398 HydrophobicContact CB-CG 3.96Å; K219-P398 WeakPolarHBondContact O-CG 3.4Å; W220-P398 HydrophobicContact CG-CG 4.49Å; F280-P398 HydrophobicContact CD1-CB 3.98Å; F280-P398 HydrophobicContact CE1-CB 3.96Å; L281-P398 CarbonylContact C-O 3.46Å; L281-P398 WeakPolarHBondContact CA-O 3.43Å; K282-P398 WeakPolarHBondContact CG-O 3.39Å; K282-P398 PolarHBondContact N-O 2.99Å; T396-P398 VanDerWaalsContact C-CD 3.42Å
399	L	98	Very high	95	Very high	7 Å²	7	38 Å²	38	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.4	-174.7	178.7	61.6	0	0	0	111.2	K282 K348 W357 H397	K282-L399 HydrophobicContact CG-CD1 4.17Å; K282-L399 WeakPolarHBondContact O-CA 3.25Å; K348-L399 HydrophobicContact CB-CB 4.46Å; K348-L399 HydrophobicContact CB-CD2 4.31Å; K348-L399 HydrophobicContact CB-CG 4.11Å; K348-L399 HydrophobicContact CD-CD2 3.97Å; K348-L399 HydrophobicContact CD-CG 4.33Å; K348-L399 PolarHBondContact N-O 2.98Å; W357-L399 HydrophobicContact CE3-CD2 4.18Å; W357-L399 HydrophobicContact CZ3-CD2 3.94Å; H397-L399 PolarHBondContact O-N 3.18Å
400	M	98.2	Very high	94.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	148.7	170.3	-50.9	-45.2	-62	0	0	111.3	L281 K282 A283 V342 F343 G345 R346 F347	L281-M400 HydrophobicContact CB-SD 4.24Å; L281-M400 HydrophobicContact CD1-SD 3.88Å; L281-M400 HydrophobicContact CD2-SD 4.29Å; L281-M400 HydrophobicContact CG-SD 4.38Å; K282-M400 PolarHBondContact O-N 2.7Å; A283-M400 HydrophobicContact CB-CB 4.13Å; A283-M400 HydrophobicContact CB-CG 4.12Å; V342-M400 HydrophobicContact CG1-CB 4.47Å; F343-M400 HydrophobicContact CD1-CG 3.88Å; F343-M400 HydrophobicContact CD1-SD 4.26Å; F343-M400 HydrophobicContact CE1-CG 4.36Å; G345-M400 WeakPolarHBondContact O-CE 3.25Å; R346-M400 WeakPolarHBondContact O-CE 3.39Å; F347-M400 HydrophobicContact CD1-CE 3.9Å; F347-M400 HydrophobicContact CD1-SD 3.89Å; F347-M400 HydrophobicContact CE1-CE 3.99Å; F347-M400 HydrophobicContact CE1-SD 3.98Å; F347-M400 HydrophobicContact CG-CE 4.32Å; F347-M400 HydrophobicContact CZ-CE 4.47Å
401	D	97.2	Very high	94.4	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.15	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-43.3	175.9	-179.3	49.4	0	0	0	111.6	R346 K348 P359	R346-D401 HydrophobicContact CB-CB 4.22Å; R346-D401 IonicContact CZ-OD2 3.05Å; R346-D401 IonicContact NE-OD2 3.51Å; R346-D401 IonicContact NH2-OD2 3.03Å; R346-D401 PolarHBondContact NH2-OD2 3.35Å; R346-D401 WeakPolarHBondContact O-CB 3.38Å; R346-D401 PolarHBondContact O-N 2.8Å; K348-D401 HydrophobicContact CB-CB 4.38Å; K348-D401 HydrophobicContact CG-CB 4.24Å; K348-D401 PolarHBondContact NZ-O 2.99Å; K348-D401 IonicContact NZ-OD1 2.96Å; K348-D401 PolarHBondContact NZ-OD1 3.01Å; P359-D401 HydrophobicContact CB-CB 4.29Å
402	E	96.5	Very high	94.1	Very high	71 Å²	71	39.3 Å²	39.3	33%	0.332	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	157.1	-175.4	-71.6	162.1	-128.2	0	0	113.5	V342 G345 R346	V342-E402 HydrophobicContact CG1-CB 4.05Å; G345-E402 VanDerWaalsContact CA-OE1 3.24Å; G345-E402 WeakPolarHBondContact CA-OE1 3.48Å; R346-E402 PolarHBondContact N-OE1 3.36Å
403	T	96.1	Very high	93.9	Very high	50 Å²	50	36.1 Å²	36.1	31%	0.307	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.3	177.4	73	0	0	0	0	110	R284 P405	R284-T403 HydrophobicContact CB-CG2 3.99Å; R284-T403 HydrophobicContact CG-CG2 4.42Å; R284-T403 CarbonylContact O-C 3.53Å; R284-T403 WeakPolarHBondContact O-CA 3.41Å; T403-P405 VanDerWaalsContact O-CD 3.31Å; T403-P405 WeakPolarHBondContact O-CD 3.25Å; T403-P405 VanDerWaalsContact O-N 3.16Å
404	V	97.5	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	116.2	175	-174.5	0	0	0	0	109.4	V258 A283 R284 L285 N286 F334 L339 V342	V258-V404 HydrophobicContact CG1-CG2 3.91Å; A283-V404 HydrophobicContact CB-CG2 4.25Å; R284-V404 PolarHBondContact O-N 3.21Å; L285-V404 HydrophobicContact CD2-CB 4.06Å; L285-V404 HydrophobicContact CD2-CG1 4.37Å; L285-V404 HydrophobicContact CD2-CG2 4.22Å; N286-V404 WeakPolarHBondContact CB-O 3.48Å; N286-V404 PolarHBondContact N-O 2.91Å; F334-V404 HydrophobicContact CB-CG1 4.37Å; F334-V404 HydrophobicContact CD1-CG1 3.83Å; F334-V404 HydrophobicContact CG-CG1 4.4Å; L339-V404 HydrophobicContact CB-CG1 3.83Å; L339-V404 HydrophobicContact CD1-CG1 4.23Å; L339-V404 HydrophobicContact CG-CG1 4.04Å; L339-V404 HydrophobicContact CG-CG2 4.19Å; V342-V404 HydrophobicContact CB-CG2 4.32Å; V342-V404 HydrophobicContact CG1-CG2 4.21Å; V342-V404 HydrophobicContact CG2-CG2 4.33Å
405	P	94.1	Very high	93.5	Very high	43 Å²	43	37.1 Å²	37.1	28%	0.279	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-76.6	150.7	-178.6	32.8	-35.2	0	0	0	110.9	F334 T403	F334-P405 WeakPolarHBondContact CD1-O 3.06Å; T403-P405 VanDerWaalsContact O-CD 3.31Å; T403-P405 WeakPolarHBondContact O-CD 3.25Å; T403-P405 VanDerWaalsContact O-N 3.16Å
406	L	91.8	Very high	93.1	Very high	9 Å²	9	35 Å²	35	5%	0.047	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-82.9	140.6	171.1	66	151.4	0	0	0	111.7	N286 C332 V333 F334 G408 H409 R410 P411	N286-L406 VanDerWaalsContact O-CD2 3.24Å; N286-L406 WeakPolarHBondContact O-CD2 3.34Å; C332-L406 HydrophobicContact CB-CB 4.24Å; C332-L406 HydrophobicContact CB-CD1 4.46Å; V333-L406 CarbonylContact O-C 3.55Å; V333-L406 VanDerWaalsContact O-CA 3.29Å; V333-L406 WeakPolarHBondContact O-CA 3.48Å; F334-L406 HydrophobicContact CE1-CB 4.19Å; L406-G408 PolarHBondContact O-N 3.08Å; L406-H409 PolarHBondContact O-N 3.18Å; L406-H409 VanDerWaalsContact O-N 3.13Å; L406-R410 WeakPolarHBondContact CD1-O 3.45Å; L406-P411 HydrophobicContact CD1-CG 4.44Å
407	L	89.4	Confident	92.3	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.157	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	121.6	177.7	-174.3	68.5	0	0	0	110.1	V314 V333	V314-L407 HydrophobicContact CG1-CD2 4.23Å; V333-L407 HydrophobicContact CB-CB 4.16Å; V333-L407 HydrophobicContact CG1-CB 4.09Å; V333-L407 HydrophobicContact CG1-CD2 3.93Å; V333-L407 PolarHBondContact O-N 3.35Å
408	G	82.9	Confident	91.2	Very high	30 Å²	30	39.3 Å²	39.3	31%	0.309	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	6.5	-176.7	0	0	0	0	0	115.2	L406 R410	L406-G408 PolarHBondContact O-N 3.08Å; G408-R410 PolarHBondContact O-N 2.86Å
409	H	85.3	Confident	90.5	Very high	136 Å²	136	49.6 Å²	49.6	63%	0.63	25%	0.245	S	C	*	.	S	Bend	trans	59.9	-6.5	173.3	-55.2	-80.1	0	0	0	117.9	P290 L406	P290-H409 WeakPolarHBondContact CD-O 3.36Å; P290-H409 WeakPolarHBondContact CG-O 3.03Å; L406-H409 PolarHBondContact O-N 3.18Å; L406-H409 VanDerWaalsContact O-N 3.13Å
410	R	88.6	Confident	89.9	Confident	124 Å²	124	50.7 Å²	50.7	47%	0.468	25%	0.249	S	C	.	.	S	Bend	trans	-127.1	147.6	170	-59.5	-162.1	176.8	-92.7	5.3	111	P290 L406 G408	P290-R410 HydrophobicContact CG-CG 3.97Å; P290-R410 PolarHBondContact O-NH1 3.27Å; L406-R410 WeakPolarHBondContact CD1-O 3.45Å; G408-R410 PolarHBondContact O-N 2.86Å
411	P	92.6	Very high	89.6	Confident	17 Å²	17	52.2 Å²	52.2	11%	0.11	26%	0.256	C	S	.	.			trans	-63.6	143.6	178.4	-17.6	31.4	0	0	0	111.3	S288 I289 A330 V331 L406 V414	S288-P411 WeakPolarHBondContact O-CD 3.41Å; I289-P411 HydrophobicContact CG1-CG 3.92Å; A330-P411 HydrophobicContact CB-CB 4.03Å; A330-P411 HydrophobicContact CB-CG 4.32Å; V331-P411 CarbonylContact O-C 3.55Å; V331-P411 WeakPolarHBondContact O-CB 3.25Å; L406-P411 HydrophobicContact CD1-CG 4.44Å; P411-V414 HydrophobicContact CB-CG2 3.92Å; P411-V414 HydrophobicContact CG-CG2 4.15Å
412	W	90.6	Very high	89.5	Confident	22 Å²	22	51 Å²	51	8%	0.083	25%	0.25	C	C	.	.	S	Bend	trans	-75	-26.5	-178	-78.3	17.5	0	0	0	113.3	M309 V331 V333 M454 H463 S465	M309-W412 HydrophobicContact CE-CH2 4.19Å; M309-W412 HydrophobicContact CE-CZ3 4.26Å; M309-W412 HydrophobicContact SD-CH2 4.25Å; M309-W412 HydrophobicContact SD-CZ3 4.3Å; V331-W412 PolarHBondContact O-N 3.04Å; V333-W412 HydrophobicContact CB-CD2 4.47Å; V333-W412 HydrophobicContact CB-CZ2 4.46Å; V333-W412 HydrophobicContact CG2-CD2 3.36Å; V333-W412 HydrophobicContact CG2-CE3 3.46Å; V333-W412 VanDerWaalsContact CG2-CE3 3.46Å; V333-W412 HydrophobicContact CG2-CG 3.9Å; V333-W412 HydrophobicContact CG2-CH2 4.04Å; V333-W412 HydrophobicContact CG2-CZ2 3.9Å; V333-W412 HydrophobicContact CG2-CZ3 3.81Å; W412-M454 HydrophobicContact CB-CE 3.82Å; W412-M454 HydrophobicContact CD2-CE 4.32Å; W412-M454 HydrophobicContact CE3-CE 3.69Å; W412-M454 HydrophobicContact CG-CE 4.45Å; W412-H463 HydrophobicContact CD2-CB 4.42Å; W412-H463 AromaticContact CE2-CG 3.72Å; W412-H463 HydrophobicContact CZ2-CB 4.09Å; W412-H463 AromaticContact CZ2-CE1 3.8Å; W412-H463 AromaticContact CZ2-CG 3.6Å; W412-H463 AromaticContact CZ2-ND1 3.45Å; W412-H463 WeakPolarHBondContact CZ2-ND1 3.4Å; W412-H463 AromaticContact NE1-CD2 3.78Å; W412-H463 AromaticContact NE1-CG 3.67Å; W412-S465 VanDerWaalsContact O-CB 3.23Å; W412-S465 WeakPolarHBondContact O-CB 3.47Å; W412-S465 PolarHBondContact O-OG 2.9Å
413	V	92.4	Very high	89.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.1	171.2	-178.8	0	0	0	0	107.9	A330 V331 K415 L440 L442 F452 M454	A330-V413 CarbonylContact C-O 3.58Å; A330-V413 WeakPolarHBondContact CA-O 3.47Å; V331-V413 HydrophobicContact CB-CB 4.07Å; V331-V413 HydrophobicContact CB-CG2 4.43Å; V331-V413 HydrophobicContact CG2-CB 4.14Å; V331-V413 PolarHBondContact N-O 3.49Å; V413-K415 HydrophobicContact CG1-CG 4.27Å; V413-L440 HydrophobicContact CG2-CD2 3.93Å; V413-L442 HydrophobicContact CG1-CD1 4.23Å; V413-F452 HydrophobicContact CG1-CD1 4.2Å; V413-F452 HydrophobicContact CG1-CD2 4.41Å; V413-F452 HydrophobicContact CG1-CE1 3.73Å; V413-F452 HydrophobicContact CG1-CE2 3.97Å; V413-F452 HydrophobicContact CG1-CZ 3.63Å; V413-F452 HydrophobicContact CG2-CD1 4.06Å; V413-F452 HydrophobicContact CG2-CD2 4.48Å; V413-F452 HydrophobicContact CG2-CE1 4.41Å; V413-F452 HydrophobicContact CG2-CG 4.1Å; V413-M454 HydrophobicContact CG2-CE 4.05Å
414	V	92.5	Very high	89.5	Confident	28 Å²	28	47.3 Å²	47.3	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.6	171.2	-179.5	0	0	0	0	108.1	F27 I289 F297 A330 P411 T416	F27-V414 HydrophobicContact CE1-CG1 3.69Å; F27-V414 HydrophobicContact CZ-CG1 3.85Å; I289-V414 HydrophobicContact CD1-CG1 4.06Å; I289-V414 HydrophobicContact CD1-CG2 3.97Å; I289-V414 HydrophobicContact CG1-CG2 4.42Å; F297-V414 HydrophobicContact CZ-CG1 4.07Å; A330-V414 HydrophobicContact CB-CG2 4.49Å; P411-V414 HydrophobicContact CB-CG2 3.92Å; P411-V414 HydrophobicContact CG-CG2 4.15Å; V414-T416 HydrophobicContact CG1-CG2 4.38Å
415	K	92.4	Very high	89.4	Confident	16 Å²	16	48.1 Å²	48.1	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	119.5	173.5	-59.7	-67.1	-83.7	169.8	0	109.2	E30 G328 S329 V413 L422 L450 F452 F467	E30-K415 HydrophobicContact CG-CD 3.92Å; E30-K415 WeakPolarHBondContact OE1-CD 3.49Å; E30-K415 WeakPolarHBondContact OE1-CE 3.49Å; E30-K415 IonicContact OE1-NZ 3.78Å; E30-K415 PolarHBondContact OE1-NZ 2.77Å; E30-K415 WeakPolarHBondContact OE2-CA 3.39Å; G328-K415 CarbonylContact C-O 3.53Å; G328-K415 WeakPolarHBondContact CA-O 3.2Å; S329-K415 PolarHBondContact N-O 3Å; S329-K415 PolarHBondContact O-N 2.04Å; V413-K415 HydrophobicContact CG1-CG 4.27Å; K415-L422 HydrophobicContact CG-CD1 4.25Å; K415-L450 HydrophobicContact CG-CD2 4.49Å; K415-F452 HydrophobicContact CD-CZ 4.05Å; K415-F452 HydrophobicContact CG-CZ 4.47Å; K415-F467 VanDerWaalsContact NZ-CE1 3.26Å
416	T	89.2	Confident	89.6	Confident	30 Å²	30	47.3 Å²	47.3	18%	0.184	23%	0.231	C	C	.	.			trans	-134.7	-16	-177.6	40.4	0	0	0	0	113.8	F27 E30 V414 G418	F27-T416 HydrophobicContact CE1-CG2 3.6Å; F27-T416 VanDerWaalsContact CE1-OG1 3.25Å; F27-T416 WeakPolarHBondContact CE1-OG1 3.27Å; F27-T416 HydrophobicContact CZ-CG2 3.57Å; E30-T416 PolarHBondContact OE2-N 3.39Å; V414-T416 HydrophobicContact CG1-CG2 4.38Å; T416-G418 VanDerWaalsContact C-N 3.29Å
417	M	79.1	Confident	89.8	Confident	158 Å²	158	47.5 Å²	47.5	78%	0.778	23%	0.233	S	C	*	.	S	Bend	trans	-83.1	-7.7	176.9	-59.3	-57.9	-74.1	0	0	112.8	E30	E30-M417 HydrophobicContact CB-CG 4.29Å; E30-M417 PolarHBondContact OE2-N 3.29Å
418	G	74	Confident	90.1	Very high	18 Å²	18	46.3 Å²	46.3	19%	0.186	23%	0.227	C	C	.	.			trans	-82.1	134.3	-178.5	0	0	0	0	0	114.3	T416 Y420	T416-G418 VanDerWaalsContact C-N 3.29Å; G418-Y420 PolarHBondContact O-N 2.9Å
419	R	81.1	Confident	90.5	Very high	219 Å²	219	46.8 Å²	46.8	83%	0.826	22%	0.223	S	C	*	.	S	Bend	trans	-75	25.8	167.2	-66.2	-169.4	-73.1	179.9	-5.7	113.4
420	Y	87.1	Confident	90.8	Very high	30 Å²	30	43.7 Å²	43.7	12%	0.118	21%	0.209	C	C	.	.	S	Bend	trans	-142	152.9	179.1	54	-116.6	0	0	0	110.1	G418 L422 L450 E470	G418-Y420 PolarHBondContact O-N 2.9Å; Y420-L422 HydrophobicContact CD2-CD2 4.27Å; Y420-L422 HydrophobicContact CE2-CD2 4.11Å; Y420-L450 HydrophobicContact CE2-CD1 4.02Å; Y420-L450 HydrophobicContact CE2-CD2 4.24Å; Y420-E470 WeakPolarHBondContact CE1-OE1 3.46Å; Y420-E470 VanDerWaalsContact OH-CD 3.28Å; Y420-E470 PolarHBondContact OH-OE1 3.06Å; Y420-E470 PolarHBondContact OH-OE2 2.94Å
421	Q	91.9	Very high	91	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.164	19%	0.187	C	C	.	.			trans	-101.7	153.8	170.2	-69.9	-176.8	-20.5	0	0	109.3	T321 P327 S444 T445	T321-Q421 PolarHBondContact O-NE2 3.24Å; P327-Q421 HydrophobicContact CB-CG 4.43Å; Q421-S444 CarbonylContact O-C 3.6Å; Q421-S444 VanDerWaalsContact O-CA 3.25Å; Q421-S444 WeakPolarHBondContact O-CA 3.06Å; Q421-T445 HydrophobicContact CB-CG2 4.07Å; Q421-T445 PolarHBondContact N-OG1 2.94Å; Q421-T445 PolarHBondContact O-N 3.38Å
422	L	95.3	Very high	90.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.7	174.8	-58.4	178.3	0	0	0	109.5	H301 L318 S329 K415 Y420 L442 G443 L450	H301-L422 PolarHBondContact CD2-O 2.88Å; L318-L422 HydrophobicContact CD1-CB 3.83Å; L318-L422 HydrophobicContact CD1-CD1 4.37Å; L318-L422 HydrophobicContact CD2-CB 4.06Å; L318-L422 HydrophobicContact CG-CB 4.36Å; S329-L422 PolarHBondContact OG-N 3.47Å; K415-L422 HydrophobicContact CG-CD1 4.25Å; Y420-L422 HydrophobicContact CD2-CD2 4.27Å; Y420-L422 HydrophobicContact CE2-CD2 4.11Å; L422-L442 HydrophobicContact CD1-CB 4.17Å; L422-L442 HydrophobicContact CD1-CD1 3.82Å; L422-L442 HydrophobicContact CD2-CB 4.39Å; L422-G443 CarbonylContact C-O 3.59Å; L422-G443 WeakPolarHBondContact CA-O 3.43Å; L422-L450 HydrophobicContact CD2-CD1 3.93Å; L422-L450 HydrophobicContact CD2-CD2 4.3Å
423	T	94.5	Very high	90.8	Very high	35 Å²	35	36.5 Å²	36.5	22%	0.215	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-24.9	-170.8	53.9	0	0	0	0	114.8	G443 T445	T423-G443 PolarHBondContact N-O 2.92Å; T423-T445 HydrophobicContact CG2-CG2 3.57Å
424	A	96.1	Very high	90.7	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.3	-179.3	0	0	0	0	0	111.5	L442 G443 L489 L492	A424-L442 CarbonylContact O-C 3.52Å; A424-L442 WeakPolarHBondContact O-CA 3.29Å; A424-G443 PolarHBondContact N-O 3.5Å; A424-G443 PolarHBondContact O-N 2.97Å; A424-L489 HydrophobicContact CB-CD2 3.91Å; A424-L489 HydrophobicContact CB-CG 4.44Å; A424-L492 HydrophobicContact CB-CB 3.89Å; A424-L492 HydrophobicContact CB-CD2 4.36Å
425	M	97.4	Very high	90.5	Very high	16 Å²	16	46 Å²	46	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	138.9	-175	179.2	163.9	64.4	0	0	110.9	A302 L316 L318 V331 L440 F441 L442	A302-M425 HydrophobicContact CB-CB 4.42Å; L316-M425 HydrophobicContact CB-CE 3.68Å; L316-M425 HydrophobicContact CB-SD 3.93Å; L316-M425 HydrophobicContact CD2-SD 4.3Å; L316-M425 VanDerWaalsContact O-CE 3.27Å; L316-M425 WeakPolarHBondContact O-CE 3.05Å; L318-M425 HydrophobicContact CB-CE 4.05Å; L318-M425 HydrophobicContact CB-SD 4.19Å; L318-M425 HydrophobicContact CD2-CB 4.25Å; V331-M425 HydrophobicContact CG1-SD 4.13Å; V331-M425 HydrophobicContact CG2-SD 4.45Å; M425-L440 HydrophobicContact CG-CD1 3.66Å; M425-L440 HydrophobicContact SD-CD1 3.77Å; M425-F441 WeakPolarHBondContact CA-O 3.31Å; M425-L442 HydrophobicContact CB-CD2 3.94Å; M425-L442 HydrophobicContact CG-CD2 3.68Å; M425-L442 HydrophobicContact SD-CD2 3.88Å
426	V	97.3	Very high	90.3	Very high	26 Å²	26	49.6 Å²	49.6	16%	0.158	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.1	164.1	73.8	0	0	0	0	110.2	F441 L492 L494 L501	V426-F441 HydrophobicContact CG1-CB 3.98Å; V426-F441 HydrophobicContact CG1-CD2 4.16Å; V426-F441 HydrophobicContact CG1-CG 4.49Å; V426-F441 PolarHBondContact N-O 3.4Å; V426-F441 PolarHBondContact O-N 3.08Å; V426-L492 HydrophobicContact CB-CD2 4.47Å; V426-L492 HydrophobicContact CB-CG 4.08Å; V426-L492 HydrophobicContact CG1-CD1 4.1Å; V426-L492 HydrophobicContact CG1-CD2 4.05Å; V426-L492 HydrophobicContact CG1-CG 3.66Å; V426-L494 HydrophobicContact CG1-CB 4.18Å; V426-L494 HydrophobicContact CG2-CB 3.75Å; V426-L501 HydrophobicContact CG1-CD2 3.9Å
427	V	96.2	Very high	90.4	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.1	-173.8	-162.5	0	0	0	0	110.5	I307 L316 T429 T438 L440 R496	I307-V427 HydrophobicContact CD1-CB 3.83Å; I307-V427 HydrophobicContact CD1-CG1 3.89Å; I307-V427 HydrophobicContact CD1-CG2 3.86Å; L316-V427 HydrophobicContact CD2-CG2 4.08Å; V427-T429 HydrophobicContact CG1-CG2 4.1Å; V427-T438 HydrophobicContact CG1-CG2 3.59Å; V427-L440 HydrophobicContact CG2-CD1 3.94Å; V427-R496 PolarHBondContact O-NH2 2.77Å
428	D	94.9	Very high	91.1	Very high	6 Å²	6	44 Å²	44	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.3	160.8	-163.7	-8.5	0	0	0	108.8	E430 A431 T438 V439 F441 L494 R496 Y534	D428-E430 PolarHBondContact OD1-N 2.9Å; D428-A431 HydrophobicContact CB-CB 4.38Å; D428-T438 CarbonylContact O-C 3.55Å; D428-T438 VanDerWaalsContact O-CA 3.28Å; D428-T438 WeakPolarHBondContact O-CA 3.39Å; D428-V439 PolarHBondContact N-O 3.48Å; D428-V439 PolarHBondContact O-N 2.76Å; D428-F441 HydrophobicContact CB-CE2 4.46Å; D428-L494 HydrophobicContact CB-CD2 3.58Å; D428-R496 IonicContact OD1-CZ 3.32Å; D428-R496 IonicContact OD1-NE 2.75Å; D428-R496 IonicContact OD1-NH2 3.66Å; D428-Y534 WeakPolarHBondContact CB-OH 3.24Å; D428-Y534 VanDerWaalsContact CG-OH 3.3Å; D428-Y534 WeakPolarHBondContact OD2-CE1 3.45Å; D428-Y534 PolarHBondContact OD2-OH 3.47Å
429	T	92.6	Very high	92.1	Very high	39 Å²	39	43.2 Å²	43.2	24%	0.239	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-9.3	-177.1	58.3	0	0	0	0	111.8	I307 V427 R437 R496	I307-T429 HydrophobicContact CD1-CG2 4.05Å; I307-T429 HydrophobicContact CG1-CG2 4.23Å; I307-T429 HydrophobicContact CG2-CG2 3.49Å; I307-T429 VanDerWaalsContact CG2-CG2 3.49Å; V427-T429 HydrophobicContact CG1-CG2 4.1Å; T429-R437 CarbonylContact C-O 3.6Å; T429-R496 PolarHBondContact OG1-NH1 3.48Å; T429-R496 PolarHBondContact OG1-NH2 2.91Å
430	E	91.5	Very high	92.8	Very high	71 Å²	71	32.8 Å²	32.8	33%	0.332	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	31.2	-176	-67.4	176.6	-103.5	0	0	110.6	D428 K435 R496	D428-E430 PolarHBondContact OD1-N 2.9Å; E430-K435 HydrophobicContact CB-CB 3.93Å; E430-K435 HydrophobicContact CB-CD 4.32Å; E430-K435 HydrophobicContact CB-CG 4.08Å; E430-K435 HydrophobicContact CG-CB 4.34Å; E430-K435 WeakPolarHBondContact O-CA 3.28Å; E430-K435 WeakPolarHBondContact OE2-CD 3.3Å; E430-K435 VanDerWaalsContact OE2-CE 3.27Å; E430-K435 WeakPolarHBondContact OE2-CE 3.39Å; E430-K435 IonicContact OE2-NZ 2.65Å; E430-K435 PolarHBondContact OE2-NZ 3.46Å; E430-R496 IonicContact OE1-CZ 2.69Å; E430-R496 IonicContact OE1-NH1 3.47Å; E430-R496 PolarHBondContact OE1-NH1 2.92Å
431	A	91.9	Very high	93.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.2	-173.9	0	0	0	0	0	112.1	D428 R437 V439 P533 Y534	D428-A431 HydrophobicContact CB-CB 4.38Å; A431-R437 HydrophobicContact CB-CB 4.25Å; A431-R437 VanDerWaalsContact CB-O 3.31Å; A431-R437 WeakPolarHBondContact CB-O 3.29Å; A431-R437 PolarHBondContact N-O 3.36Å; A431-R437 PolarHBondContact O-N 2.86Å; A431-V439 HydrophobicContact CB-CB 4.22Å; A431-V439 HydrophobicContact CB-CG2 3.59Å; A431-P533 HydrophobicContact CB-CB 4.24Å; A431-Y534 HydrophobicContact CB-CE1 3.84Å; A431-Y534 HydrophobicContact CB-CE2 4.47Å
432	G	90.3	Very high	93.6	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-176.6	176.1	0	0	0	0	0	116.4	H434 K435 P533	G432-H434 VanDerWaalsContact C-N 3.28Å; G432-H434 PolarHBondContact O-N 3.45Å; G432-K435 PolarHBondContact O-N 2.95Å; G432-P533 WeakPolarHBondContact CA-O 3.3Å
433	P	89.7	Confident	93.7	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.3	-166.6	-22.6	31.4	0	0	0	114.2	P533 L546 G549 F554	P433-P533 WeakPolarHBondContact CD-O 3.31Å; P433-L546 HydrophobicContact CG-CB 3.79Å; P433-L546 HydrophobicContact CG-CD1 3.5Å; P433-L546 HydrophobicContact CG-CG 4.32Å; P433-G549 PolarHBondContact O-N 2.74Å; P433-F554 HydrophobicContact CB-CE1 3.91Å; P433-F554 HydrophobicContact CB-CE2 4.45Å; P433-F554 HydrophobicContact CB-CZ 3.59Å; P433-F554 HydrophobicContact CG-CE1 4Å; P433-F554 HydrophobicContact CG-CE2 3.93Å; P433-F554 HydrophobicContact CG-CZ 3.52Å
434	H	89.4	Confident	93.7	Very high	122 Å²	122	28 Å²	28	57%	0.565	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	6.2	-173.5	-53.7	-72.4	0	0	0	113.3	G432 N436 F554	G432-H434 VanDerWaalsContact C-N 3.28Å; G432-H434 PolarHBondContact O-N 3.45Å; H434-N436 PolarHBondContact O-N 2.88Å; H434-F554 AromaticContact NE2-CZ 3.82Å
435	K	89.5	Confident	93.5	Very high	107 Å²	107	30.1 Å²	30.1	47%	0.465	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	34.3	-178.1	-61.5	-175	154.1	-154.3	0	114.7	E430 G432 P548	E430-K435 HydrophobicContact CB-CB 3.93Å; E430-K435 HydrophobicContact CB-CD 4.32Å; E430-K435 HydrophobicContact CB-CG 4.08Å; E430-K435 HydrophobicContact CG-CB 4.34Å; E430-K435 WeakPolarHBondContact O-CA 3.28Å; E430-K435 WeakPolarHBondContact OE2-CD 3.3Å; E430-K435 VanDerWaalsContact OE2-CE 3.27Å; E430-K435 WeakPolarHBondContact OE2-CE 3.39Å; E430-K435 IonicContact OE2-NZ 2.65Å; E430-K435 PolarHBondContact OE2-NZ 3.46Å; G432-K435 PolarHBondContact O-N 2.95Å; K435-P548 HydrophobicContact CD-CB 4.31Å; K435-P548 HydrophobicContact CG-CB 3.94Å; K435-P548 HydrophobicContact CG-CG 4.42Å
436	N	88.4	Confident	93.2	Very high	92 Å²	92	35 Å²	35	49%	0.492	17%	0.169	S	C	.	.			trans	-124.4	11.7	-169.8	73.9	-23.9	0	0	0	114.4	H434	H434-N436 PolarHBondContact O-N 2.88Å
437	R	90.6	Very high	93	Very high	54 Å²	54	33.8 Å²	33.8	20%	0.204	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144	175.2	-55	-59	176.7	176.8	-0	109.9	T429 A431 L453 P533 V558 E559	T429-R437 CarbonylContact C-O 3.6Å; A431-R437 HydrophobicContact CB-CB 4.25Å; A431-R437 VanDerWaalsContact CB-O 3.31Å; A431-R437 WeakPolarHBondContact CB-O 3.29Å; A431-R437 PolarHBondContact N-O 3.36Å; A431-R437 PolarHBondContact O-N 2.86Å; R437-L453 HydrophobicContact CB-CD1 4.37Å; R437-P533 HydrophobicContact CB-CB 3.98Å; R437-P533 HydrophobicContact CB-CG 3.97Å; R437-P533 HydrophobicContact CG-CB 4.09Å; R437-P533 HydrophobicContact CG-CG 4.24Å; R437-V558 HydrophobicContact CG-CG1 4.41Å; R437-E559 IonicContact CZ-OE1 2.96Å; R437-E559 IonicContact NH1-OE1 3.68Å; R437-E559 PolarHBondContact NH1-OE1 2.86Å; R437-E559 IonicContact NH2-OE1 2.71Å; R437-E559 PolarHBondContact NH2-OE1 3.47Å
438	T	92.5	Very high	92.9	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.1	173.5	-61.1	0	0	0	0	109	M309 V427 D428 M454	M309-T438 HydrophobicContact CE-CG2 4.2Å; V427-T438 HydrophobicContact CG1-CG2 3.59Å; D428-T438 CarbonylContact O-C 3.55Å; D428-T438 VanDerWaalsContact O-CA 3.28Å; D428-T438 WeakPolarHBondContact O-CA 3.39Å; T438-M454 HydrophobicContact CG2-CB 4.21Å; T438-M454 HydrophobicContact CG2-CG 4.03Å; T438-M454 PolarHBondContact O-N 3.27Å
439	V	95.4	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	177.7	177.8	0	0	0	0	108.8	D428 A431 F441 K451 F452 P533 Y534	D428-V439 PolarHBondContact N-O 3.48Å; D428-V439 PolarHBondContact O-N 2.76Å; A431-V439 HydrophobicContact CB-CB 4.22Å; A431-V439 HydrophobicContact CB-CG2 3.59Å; V439-F441 HydrophobicContact CB-CE2 4.34Å; V439-F441 HydrophobicContact CG1-CD2 4.29Å; V439-F441 HydrophobicContact CG1-CE1 4.09Å; V439-F441 HydrophobicContact CG1-CE2 3.69Å; V439-F441 HydrophobicContact CG1-CZ 3.59Å; V439-K451 HydrophobicContact CG1-CG 3.95Å; V439-F452 WeakPolarHBondContact CA-O 3.47Å; V439-P533 HydrophobicContact CG2-CB 4.38Å; V439-P533 HydrophobicContact CG2-CG 3.76Å; V439-Y534 HydrophobicContact CB-CE2 4.4Å; V439-Y534 HydrophobicContact CG1-CE2 4.24Å; V439-Y534 HydrophobicContact CG2-CE2 4.18Å
440	L	96.9	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.3	-175.4	175.3	64.6	0	0	0	109.2	L316 V331 V413 M425 V427 L442 F452 M454	L316-L440 HydrophobicContact CD2-CD1 3.85Å; L316-L440 HydrophobicContact CD2-CD2 4.35Å; V331-L440 HydrophobicContact CG1-CD2 4.16Å; V331-L440 HydrophobicContact CG2-CD2 4.28Å; V413-L440 HydrophobicContact CG2-CD2 3.93Å; M425-L440 HydrophobicContact CG-CD1 3.66Å; M425-L440 HydrophobicContact SD-CD1 3.77Å; V427-L440 HydrophobicContact CG2-CD1 3.94Å; L440-L442 HydrophobicContact CD1-CD2 3.81Å; L440-L442 HydrophobicContact CD1-CG 4.47Å; L440-L442 HydrophobicContact CD2-CD1 4.19Å; L440-L442 HydrophobicContact CD2-CD2 4.18Å; L440-L442 HydrophobicContact CD2-CG 4.3Å; L440-L442 HydrophobicContact CG-CD1 4.42Å; L440-L442 HydrophobicContact CG-CD2 3.87Å; L440-L442 HydrophobicContact CG-CG 4.01Å; L440-F452 HydrophobicContact CB-CB 4.26Å; L440-F452 PolarHBondContact N-O 2.92Å; L440-F452 PolarHBondContact O-N 3.39Å; L440-M454 HydrophobicContact CB-CG 4.03Å; L440-M454 HydrophobicContact CB-SD 3.7Å; L440-M454 HydrophobicContact CD2-CE 4.24Å; L440-M454 HydrophobicContact CD2-SD 3.76Å; L440-M454 HydrophobicContact CG-SD 4.4Å
441	F	98	Very high	93.4	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	175.4	-57.2	-87.1	0	0	0	109.3	M425 V426 D428 V439 I449 L450 K451 L492 L501 T514 Y534	M425-F441 WeakPolarHBondContact CA-O 3.31Å; V426-F441 HydrophobicContact CG1-CB 3.98Å; V426-F441 HydrophobicContact CG1-CD2 4.16Å; V426-F441 HydrophobicContact CG1-CG 4.49Å; V426-F441 PolarHBondContact N-O 3.4Å; V426-F441 PolarHBondContact O-N 3.08Å; D428-F441 HydrophobicContact CB-CE2 4.46Å; V439-F441 HydrophobicContact CB-CE2 4.34Å; V439-F441 HydrophobicContact CG1-CD2 4.29Å; V439-F441 HydrophobicContact CG1-CE1 4.09Å; V439-F441 HydrophobicContact CG1-CE2 3.69Å; V439-F441 HydrophobicContact CG1-CZ 3.59Å; F441-I449 HydrophobicContact CB-CG2 4.4Å; F441-L450 WeakPolarHBondContact CA-O 3.35Å; F441-K451 HydrophobicContact CD1-CB 4.12Å; F441-K451 HydrophobicContact CD1-CD 4.5Å; F441-K451 HydrophobicContact CD1-CG 3.97Å; F441-K451 HydrophobicContact CE1-CB 4.27Å; F441-K451 HydrophobicContact CE1-CD 3.83Å; F441-K451 HydrophobicContact CE1-CG 3.69Å; F441-L492 HydrophobicContact CB-CD2 4.38Å; F441-L492 WeakPolarHBondContact O-CD2 3.31Å; F441-L501 HydrophobicContact CB-CD1 4.35Å; F441-L501 HydrophobicContact CB-CD2 4.41Å; F441-L501 HydrophobicContact CD1-CD1 3.62Å; F441-L501 HydrophobicContact CD1-CD2 4.36Å; F441-L501 HydrophobicContact CD2-CD2 3.9Å; F441-L501 HydrophobicContact CE1-CD1 3.95Å; F441-L501 HydrophobicContact CE2-CD2 4.16Å; F441-L501 HydrophobicContact CG-CD1 3.97Å; F441-L501 HydrophobicContact CG-CD2 3.98Å; F441-L501 HydrophobicContact CZ-CD2 4.49Å; F441-T514 HydrophobicContact CE2-CG2 4.34Å; F441-T514 HydrophobicContact CZ-CG2 3.9Å; F441-Y534 HydrophobicContact CZ-CE2 4.03Å
442	L	97.6	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.4	-176.5	-57.1	177.4	0	0	0	109.8	L318 V331 V413 L422 A424 M425 L440 I449 L450 F452	L318-L442 HydrophobicContact CD1-CD2 4.29Å; V331-L442 HydrophobicContact CG2-CD1 3.75Å; V331-L442 HydrophobicContact CG2-CD2 3.97Å; V413-L442 HydrophobicContact CG1-CD1 4.23Å; L422-L442 HydrophobicContact CD1-CB 4.17Å; L422-L442 HydrophobicContact CD1-CD1 3.82Å; L422-L442 HydrophobicContact CD2-CB 4.39Å; A424-L442 CarbonylContact O-C 3.52Å; A424-L442 WeakPolarHBondContact O-CA 3.29Å; M425-L442 HydrophobicContact CB-CD2 3.94Å; M425-L442 HydrophobicContact CG-CD2 3.68Å; M425-L442 HydrophobicContact SD-CD2 3.88Å; L440-L442 HydrophobicContact CD1-CD2 3.81Å; L440-L442 HydrophobicContact CD1-CG 4.47Å; L440-L442 HydrophobicContact CD2-CD1 4.19Å; L440-L442 HydrophobicContact CD2-CD2 4.18Å; L440-L442 HydrophobicContact CD2-CG 4.3Å; L440-L442 HydrophobicContact CG-CD1 4.42Å; L440-L442 HydrophobicContact CG-CD2 3.87Å; L440-L442 HydrophobicContact CG-CG 4.01Å; L442-I449 CarbonylContact O-C 3.6Å; L442-I449 WeakPolarHBondContact O-CA 3.18Å; L442-L450 HydrophobicContact CB-CB 4.48Å; L442-L450 PolarHBondContact N-O 3.38Å; L442-L450 PolarHBondContact O-N 2.71Å; L442-F452 HydrophobicContact CD1-CD2 3.96Å; L442-F452 HydrophobicContact CD1-CE2 3.9Å; L442-F452 HydrophobicContact CG-CD2 4.47Å
443	G	96.9	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.2	178.5	0	0	0	0	0	112.8	L422 T423 A424 T448	L422-G443 CarbonylContact C-O 3.59Å; L422-G443 WeakPolarHBondContact CA-O 3.43Å; T423-G443 PolarHBondContact N-O 2.92Å; A424-G443 PolarHBondContact N-O 3.5Å; A424-G443 PolarHBondContact O-N 2.97Å; G443-T448 WeakPolarHBondContact CA-O 3.39Å
444	S	94.6	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	164.2	-176.2	80.7	0	0	0	0	114.7	Q421 R446 G447 T448	Q421-S444 CarbonylContact O-C 3.6Å; Q421-S444 VanDerWaalsContact O-CA 3.25Å; Q421-S444 WeakPolarHBondContact O-CA 3.06Å; S444-R446 PolarHBondContact O-N 3.47Å; S444-R446 PolarHBondContact OG-N 3.33Å; S444-G447 PolarHBondContact O-N 3.43Å; S444-T448 WeakPolarHBondContact CB-OG1 3.38Å; S444-T448 PolarHBondContact N-O 2.93Å; S444-T448 PolarHBondContact OG-N 3.48Å; S444-T448 VanDerWaalsContact OG-N 3.1Å; S444-T448 PolarHBondContact OG-O 3.32Å; S444-T448 PolarHBondContact OG-OG1 3.42Å
445	T	92.7	Very high	93.5	Very high	54 Å²	54	24.9 Å²	24.9	33%	0.331	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.5	169.7	54.2	0	0	0	0	114.5	Q421 T423	Q421-T445 HydrophobicContact CB-CG2 4.07Å; Q421-T445 PolarHBondContact N-OG1 2.94Å; Q421-T445 PolarHBondContact O-N 3.38Å; T423-T445 HydrophobicContact CG2-CG2 3.57Å
446	R	91.1	Very high	92.5	Very high	118 Å²	118	22 Å²	22	45%	0.445	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5.4	175.3	-66.2	-173	68.6	-138.4	-3.9	113.3	S444 T448 R487	S444-R446 PolarHBondContact O-N 3.47Å; S444-R446 PolarHBondContact OG-N 3.33Å; R446-T448 VanDerWaalsContact C-N 3.27Å; R446-T448 PolarHBondContact O-N 2.96Å; R446-R487 WeakPolarHBondContact O-CD 3.37Å; R446-R487 PolarHBondContact O-NH1 2.91Å
447	G	92.6	Very high	91.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	71.5	19.7	-176.8	0	0	0	0	0	113.8	S444 G473 F474 R487	S444-G447 PolarHBondContact O-N 3.43Å; G447-G473 VanDerWaalsContact O-CA 3.22Å; G447-G473 WeakPolarHBondContact O-CA 3.26Å; G447-G473 PolarHBondContact O-N 3.02Å; G447-F474 PolarHBondContact O-N 2.93Å; G447-R487 WeakPolarHBondContact CA-O 3.2Å; G447-R487 PolarHBondContact N-O 3.46Å
448	T	93.5	Very high	89.3	Confident	13 Å²	13	20.2 Å²	20.2	8%	0.08	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146	167.7	61.7	0	0	0	0	110.2	G443 S444 R446 V471	G443-T448 WeakPolarHBondContact CA-O 3.39Å; S444-T448 WeakPolarHBondContact CB-OG1 3.38Å; S444-T448 PolarHBondContact N-O 2.93Å; S444-T448 PolarHBondContact OG-N 3.48Å; S444-T448 VanDerWaalsContact OG-N 3.1Å; S444-T448 PolarHBondContact OG-O 3.32Å; S444-T448 PolarHBondContact OG-OG1 3.42Å; R446-T448 VanDerWaalsContact C-N 3.27Å; R446-T448 PolarHBondContact O-N 2.96Å; T448-V471 CarbonylContact C-O 3.57Å; T448-V471 WeakPolarHBondContact CA-O 3.49Å
449	I	96.3	Very high	87.2	Confident	6 Å²	6	26 Å²	26	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.8	175.7	-51.2	-58.2	0	0	0	108.1	F441 L442 V471 L489 L492 L501 L503	F441-I449 HydrophobicContact CB-CG2 4.4Å; L442-I449 CarbonylContact O-C 3.6Å; L442-I449 WeakPolarHBondContact O-CA 3.18Å; I449-V471 PolarHBondContact N-O 3.34Å; I449-V471 PolarHBondContact O-N 2.86Å; I449-L489 HydrophobicContact CD1-CD2 3.75Å; I449-L492 HydrophobicContact CD1-CD1 4.5Å; I449-L501 HydrophobicContact CG2-CD1 4.19Å; I449-L503 HydrophobicContact CD1-CD1 4.02Å; I449-L503 HydrophobicContact CD1-CD2 3.68Å; I449-L503 HydrophobicContact CD1-CG 4.49Å; I449-L503 HydrophobicContact CG1-CD1 3.71Å; I449-L503 HydrophobicContact CG1-CD2 3.98Å
450	L	96.1	Very high	85	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135	175.6	-67.5	73	0	0	0	108.7	K415 Y420 L422 F441 L442 F452 F467 E470	K415-L450 HydrophobicContact CG-CD2 4.49Å; Y420-L450 HydrophobicContact CE2-CD1 4.02Å; Y420-L450 HydrophobicContact CE2-CD2 4.24Å; L422-L450 HydrophobicContact CD2-CD1 3.93Å; L422-L450 HydrophobicContact CD2-CD2 4.3Å; F441-L450 WeakPolarHBondContact CA-O 3.35Å; L442-L450 HydrophobicContact CB-CB 4.48Å; L442-L450 PolarHBondContact N-O 3.38Å; L442-L450 PolarHBondContact O-N 2.71Å; L450-F452 HydrophobicContact CB-CD2 4.42Å; L450-F452 HydrophobicContact CB-CE2 3.75Å; L450-F452 HydrophobicContact CD2-CE2 4.12Å; L450-F452 HydrophobicContact CD2-CZ 4.35Å; L450-F467 HydrophobicContact CB-CE2 3.66Å; L450-F467 HydrophobicContact CB-CZ 4.19Å; L450-F467 HydrophobicContact CD2-CE1 4.48Å; L450-F467 HydrophobicContact CD2-CE2 3.93Å; L450-F467 HydrophobicContact CD2-CZ 3.69Å; L450-F467 HydrophobicContact CG-CE2 3.78Å; L450-F467 HydrophobicContact CG-CZ 3.78Å; L450-E470 HydrophobicContact CG-CG 4.4Å
451	K	97.2	Very high	82.6	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123	-178.3	179.9	-176.3	176.8	175.6	0	110.5	V439 F441 L468 E469 T514 D532	V439-K451 HydrophobicContact CG1-CG 3.95Å; F441-K451 HydrophobicContact CD1-CB 4.12Å; F441-K451 HydrophobicContact CD1-CD 4.5Å; F441-K451 HydrophobicContact CD1-CG 3.97Å; F441-K451 HydrophobicContact CE1-CB 4.27Å; F441-K451 HydrophobicContact CE1-CD 3.83Å; F441-K451 HydrophobicContact CE1-CG 3.69Å; K451-L468 HydrophobicContact CD-CB 4.28Å; K451-L468 HydrophobicContact CD-CD1 4.22Å; K451-L468 HydrophobicContact CG-CB 4.23Å; K451-L468 HydrophobicContact CG-CD1 4.19Å; K451-L468 PolarHBondContact O-N 3.21Å; K451-E469 HydrophobicContact CB-CB 4.05Å; K451-E469 HydrophobicContact CD-CB 4.09Å; K451-E469 WeakPolarHBondContact CD-OE2 3.27Å; K451-E469 PolarHBondContact N-O 2.94Å; K451-E469 IonicContact NZ-OE2 2.76Å; K451-E469 PolarHBondContact O-N 3.4Å; K451-T514 PolarHBondContact NZ-O 2.94Å; K451-D532 WeakPolarHBondContact CE-OD1 3.48Å; K451-D532 IonicContact NZ-OD1 2.76Å; K451-D532 PolarHBondContact NZ-OD1 3.49Å; K451-D532 IonicContact NZ-OD2 3.61Å; K451-D532 PolarHBondContact NZ-OD2 3.45Å
452	F	95.7	Very high	80.6	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.1	177.3	-67.8	-95.8	0	0	0	111.1	V413 K415 V439 L440 L442 L450 M454 V466 F467	V413-F452 HydrophobicContact CG1-CD1 4.2Å; V413-F452 HydrophobicContact CG1-CD2 4.41Å; V413-F452 HydrophobicContact CG1-CE1 3.73Å; V413-F452 HydrophobicContact CG1-CE2 3.97Å; V413-F452 HydrophobicContact CG1-CZ 3.63Å; V413-F452 HydrophobicContact CG2-CD1 4.06Å; V413-F452 HydrophobicContact CG2-CD2 4.48Å; V413-F452 HydrophobicContact CG2-CE1 4.41Å; V413-F452 HydrophobicContact CG2-CG 4.1Å; K415-F452 HydrophobicContact CD-CZ 4.05Å; K415-F452 HydrophobicContact CG-CZ 4.47Å; V439-F452 WeakPolarHBondContact CA-O 3.47Å; L440-F452 HydrophobicContact CB-CB 4.26Å; L440-F452 PolarHBondContact N-O 2.92Å; L440-F452 PolarHBondContact O-N 3.39Å; L442-F452 HydrophobicContact CD1-CD2 3.96Å; L442-F452 HydrophobicContact CD1-CE2 3.9Å; L442-F452 HydrophobicContact CG-CD2 4.47Å; L450-F452 HydrophobicContact CB-CD2 4.42Å; L450-F452 HydrophobicContact CB-CE2 3.75Å; L450-F452 HydrophobicContact CD2-CE2 4.12Å; L450-F452 HydrophobicContact CD2-CZ 4.35Å; F452-M454 HydrophobicContact CB-SD 3.9Å; F452-V466 CarbonylContact C-O 3.51Å; F452-V466 VanDerWaalsContact CA-O 3.31Å; F452-V466 WeakPolarHBondContact CA-O 3.45Å; F452-F467 HydrophobicContact CD1-CB 3.99Å; F452-F467 HydrophobicContact CD1-CD2 4.38Å; F452-F467 HydrophobicContact CD1-CG 4.45Å; F452-F467 HydrophobicContact CD2-CD2 4.44Å; F452-F467 HydrophobicContact CE1-CB 3.55Å; F452-F467 AromaticContact CE1-CD2 3.89Å; F452-F467 HydrophobicContact CE1-CD2 3.89Å; F452-F467 AromaticContact CE1-CG 3.76Å; F452-F467 HydrophobicContact CE1-CG 3.76Å; F452-F467 AromaticContact CE2-CD2 3.95Å; F452-F467 HydrophobicContact CE2-CD2 3.95Å; F452-F467 HydrophobicContact CE2-CE2 4.24Å; F452-F467 HydrophobicContact CZ-CB 4.15Å; F452-F467 HydrophobicContact CZ-CD1 4.42Å; F452-F467 AromaticContact CZ-CD2 3.63Å; F452-F467 HydrophobicContact CZ-CD2 3.63Å; F452-F467 HydrophobicContact CZ-CE2 4.14Å; F452-F467 AromaticContact CZ-CG 3.81Å; F452-F467 HydrophobicContact CZ-CG 3.81Å
453	L	94.2	Very high	79.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.2	161.7	169.8	64.7	0	0	0	108.5	R437 I455 S465 V466 L468 P533 V558	R437-L453 HydrophobicContact CB-CD1 4.37Å; L453-I455 HydrophobicContact CD2-CD1 3.88Å; L453-I455 HydrophobicContact CD2-CG1 3.85Å; L453-I455 HydrophobicContact CG-CD1 4.33Å; L453-I455 HydrophobicContact CG-CG1 3.79Å; L453-S465 WeakPolarHBondContact O-CA 3.44Å; L453-V466 HydrophobicContact CB-CB 4.35Å; L453-V466 PolarHBondContact N-O 2.89Å; L453-V466 PolarHBondContact O-N 3.42Å; L453-L468 HydrophobicContact CB-CD1 3.93Å; L453-L468 HydrophobicContact CB-CD2 3.97Å; L453-L468 HydrophobicContact CB-CG 3.97Å; L453-P533 HydrophobicContact CD1-CG 3.72Å; L453-V558 HydrophobicContact CD1-CG1 4.08Å; L453-V558 HydrophobicContact CD2-CG1 3.54Å; L453-V558 WeakPolarHBondContact CD2-O 3.2Å; L453-V558 HydrophobicContact CG-CG1 4.47Å
454	M	90.1	Very high	78.3	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.064	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.9	173.5	-45.3	-44.7	-64.5	0	0	109.1	W412 V413 T438 L440 F452	W412-M454 HydrophobicContact CB-CE 3.82Å; W412-M454 HydrophobicContact CD2-CE 4.32Å; W412-M454 HydrophobicContact CE3-CE 3.69Å; W412-M454 HydrophobicContact CG-CE 4.45Å; V413-M454 HydrophobicContact CG2-CE 4.05Å; T438-M454 HydrophobicContact CG2-CB 4.21Å; T438-M454 HydrophobicContact CG2-CG 4.03Å; T438-M454 PolarHBondContact O-N 3.27Å; L440-M454 HydrophobicContact CB-CG 4.03Å; L440-M454 HydrophobicContact CB-SD 3.7Å; L440-M454 HydrophobicContact CD2-CE 4.24Å; L440-M454 HydrophobicContact CD2-SD 3.76Å; L440-M454 HydrophobicContact CG-SD 4.4Å; F452-M454 HydrophobicContact CB-SD 3.9Å
455	I	83	Confident	78.1	Confident	36 Å²	36	46.8 Å²	46.8	19%	0.185	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.4	179.6	-53	-178.7	0	0	0	107.9	L453 S464 V466 R531	L453-I455 HydrophobicContact CD2-CD1 3.88Å; L453-I455 HydrophobicContact CD2-CG1 3.85Å; L453-I455 HydrophobicContact CG-CD1 4.33Å; L453-I455 HydrophobicContact CG-CG1 3.79Å; I455-S464 PolarHBondContact N-O 3.05Å; I455-S464 PolarHBondContact O-N 3.09Å; I455-V466 HydrophobicContact CD1-CG2 3.71Å; I455-R531 VanDerWaalsContact CD1-NH2 3.29Å
456	S	69.1	Low	78.1	Confident	45 Å²	45	45.4 Å²	45.4	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.6	164.2	-109.7	0	0	0	0	109	Q310 H463	Q310-S456 PolarHBondContact OE1-OG 3.4Å; S456-H463 PolarHBondContact OG-CE1 2.88Å; S456-H463 VanDerWaalsContact OG-CE1 3.26Å; S456-H463 PolarHBondContact OG-ND1 3.36Å
457	G	59.2	Low	78.2	Confident	23 Å²	23	40.3 Å²	40.3	24%	0.237	27%	0.269	C	S	.	.			trans	-62.3	160.5	166.1	0	0	0	0	0	112.1	D459 S462	G457-D459 VanDerWaalsContact C-N 3.3Å; G457-S462 WeakPolarHBondContact CA-O 3.5Å; G457-S462 PolarHBondContact N-O 2.99Å
458	G	52.8	Low	78.3	Confident	87 Å²	87	40.4 Å²	40.4	90%	0.897	27%	0.27	S	S	*	.	S	Bend	trans	-65.4	-36.1	171.4	0	0	0	0	0	112.1
459	D	47.7	Very low	78.3	Confident	138 Å²	138	40.2 Å²	40.2	74%	0.738	27%	0.268	S	S	*	.	S	Bend	trans	-90.2	134.7	173.6	-60.1	-51.9	0	0	0	111.1	G457 V461 S462	G457-D459 VanDerWaalsContact C-N 3.3Å; D459-V461 PolarHBondContact O-N 2.8Å; D459-S462 PolarHBondContact O-N 3.27Å
460	S	49.3	Very low	78.2	Confident	106 Å²	106	41.7 Å²	41.7	74%	0.741	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	30.4	-164	65.8	0	0	0	0	116.3
461	V	46.9	Very low	78.1	Confident	119 Å²	119	42 Å²	42	72%	0.721	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-29	-177.2	-171.8	0	0	0	0	111.6	D459 H463	D459-V461 PolarHBondContact O-N 2.8Å; V461-H463 PolarHBondContact O-N 2.81Å
462	S	55.4	Low	77.9	Confident	80 Å²	80	44.3 Å²	44.3	56%	0.559	29%	0.288	S	S	*	.			trans	-98.5	84.3	-178.6	-165.4	0	0	0	0	111.3	G457 D459	G457-S462 WeakPolarHBondContact CA-O 3.5Å; G457-S462 PolarHBondContact N-O 2.99Å; D459-S462 PolarHBondContact O-N 3.27Å
463	H	69.1	Low	77.8	Confident	40 Å²	40	44 Å²	44	19%	0.185	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.9	163.5	-57.9	-77.7	0	0	0	108.6	W412 S456 V461	W412-H463 HydrophobicContact CD2-CB 4.42Å; W412-H463 AromaticContact CE2-CG 3.72Å; W412-H463 HydrophobicContact CZ2-CB 4.09Å; W412-H463 AromaticContact CZ2-CE1 3.8Å; W412-H463 AromaticContact CZ2-CG 3.6Å; W412-H463 AromaticContact CZ2-ND1 3.45Å; W412-H463 WeakPolarHBondContact CZ2-ND1 3.4Å; W412-H463 AromaticContact NE1-CD2 3.78Å; W412-H463 AromaticContact NE1-CG 3.67Å; S456-H463 PolarHBondContact OG-CE1 2.88Å; S456-H463 VanDerWaalsContact OG-CE1 3.26Å; S456-H463 PolarHBondContact OG-ND1 3.36Å; V461-H463 PolarHBondContact O-N 2.81Å
464	S	78.5	Confident	77.7	Confident	53 Å²	53	44 Å²	44	37%	0.371	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.7	178.2	57	0	0	0	0	111.1	I455	I455-S464 PolarHBondContact N-O 3.05Å; I455-S464 PolarHBondContact O-N 3.09Å
465	S	89.4	Confident	77.8	Confident	41 Å²	41	43.5 Å²	43.5	29%	0.287	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.9	172.1	61.5	0	0	0	0	110.5	W412 L453	W412-S465 VanDerWaalsContact O-CB 3.23Å; W412-S465 WeakPolarHBondContact O-CB 3.47Å; W412-S465 PolarHBondContact O-OG 2.9Å; L453-S465 WeakPolarHBondContact O-CA 3.44Å
466	V	92	Very high	78.1	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.158	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.5	176.1	-177.2	0	0	0	0	108	L34 F452 L453 I455 L468	L34-V466 HydrophobicContact CD1-CG1 3.82Å; L34-V466 HydrophobicContact CG-CG1 4.43Å; F452-V466 CarbonylContact C-O 3.51Å; F452-V466 VanDerWaalsContact CA-O 3.31Å; F452-V466 WeakPolarHBondContact CA-O 3.45Å; L453-V466 HydrophobicContact CB-CB 4.35Å; L453-V466 PolarHBondContact N-O 2.89Å; L453-V466 PolarHBondContact O-N 3.42Å; I455-V466 HydrophobicContact CD1-CG2 3.71Å; V466-L468 HydrophobicContact CB-CD2 4.49Å; V466-L468 HydrophobicContact CG1-CD2 4.12Å; V466-L468 PolarHBondContact O-N 2.78Å; V466-L468 VanDerWaalsContact O-N 3.11Å
467	F	94.1	Very high	79.1	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.044	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	99.2	177.6	-169.7	-164.9	0	0	0	108.9	P31 P33 L34 K415 L450 F452 E469 E470	P31-F467 WeakPolarHBondContact O-CD1 3.34Å; P33-F467 WeakPolarHBondContact CA-O 3.32Å; P33-F467 HydrophobicContact CB-CD1 3.8Å; P33-F467 HydrophobicContact CB-CD2 4.02Å; P33-F467 HydrophobicContact CB-CE1 3.72Å; P33-F467 HydrophobicContact CB-CE2 3.93Å; P33-F467 HydrophobicContact CB-CG 3.96Å; P33-F467 HydrophobicContact CB-CZ 3.78Å; P33-F467 HydrophobicContact CG-CD1 4.35Å; P33-F467 HydrophobicContact CG-CE1 3.9Å; P33-F467 HydrophobicContact CG-CZ 4.09Å; P33-F467 VanDerWaalsContact N-CD1 3.32Å; L34-F467 PolarHBondContact N-O 2.82Å; K415-F467 VanDerWaalsContact NZ-CE1 3.26Å; L450-F467 HydrophobicContact CB-CE2 3.66Å; L450-F467 HydrophobicContact CB-CZ 4.19Å; L450-F467 HydrophobicContact CD2-CE1 4.48Å; L450-F467 HydrophobicContact CD2-CE2 3.93Å; L450-F467 HydrophobicContact CD2-CZ 3.69Å; L450-F467 HydrophobicContact CG-CE2 3.78Å; L450-F467 HydrophobicContact CG-CZ 3.78Å; F452-F467 HydrophobicContact CD1-CB 3.99Å; F452-F467 HydrophobicContact CD1-CD2 4.38Å; F452-F467 HydrophobicContact CD1-CG 4.45Å; F452-F467 HydrophobicContact CD2-CD2 4.44Å; F452-F467 HydrophobicContact CE1-CB 3.55Å; F452-F467 AromaticContact CE1-CD2 3.89Å; F452-F467 HydrophobicContact CE1-CD2 3.89Å; F452-F467 AromaticContact CE1-CG 3.76Å; F452-F467 HydrophobicContact CE1-CG 3.76Å; F452-F467 AromaticContact CE2-CD2 3.95Å; F452-F467 HydrophobicContact CE2-CD2 3.95Å; F452-F467 HydrophobicContact CE2-CE2 4.24Å; F452-F467 HydrophobicContact CZ-CB 4.15Å; F452-F467 HydrophobicContact CZ-CD1 4.42Å; F452-F467 AromaticContact CZ-CD2 3.63Å; F452-F467 HydrophobicContact CZ-CD2 3.63Å; F452-F467 HydrophobicContact CZ-CE2 4.14Å; F452-F467 AromaticContact CZ-CG 3.81Å; F452-F467 HydrophobicContact CZ-CG 3.81Å; F467-E469 WeakPolarHBondContact CE2-O 3.48Å; F467-E470 HydrophobicContact CE2-CB 4.33Å; F467-E470 HydrophobicContact CZ-CB 3.96Å; F467-E470 HydrophobicContact CZ-CG 4.5Å
468	L	94.7	Very high	80.5	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-46.4	-174.6	-61.3	-177.6	0	0	0	111.6	L34 S35 K451 L453 V466 R531	L34-L468 CarbonylContact C-O 3.53Å; L34-L468 WeakPolarHBondContact CB-O 3.04Å; L34-L468 HydrophobicContact CD1-CD2 4.14Å; L34-L468 PolarHBondContact N-O 2.95Å; S35-L468 PolarHBondContact N-O 2.78Å; K451-L468 HydrophobicContact CD-CB 4.28Å; K451-L468 HydrophobicContact CD-CD1 4.22Å; K451-L468 HydrophobicContact CG-CB 4.23Å; K451-L468 HydrophobicContact CG-CD1 4.19Å; K451-L468 PolarHBondContact O-N 3.21Å; L453-L468 HydrophobicContact CB-CD1 3.93Å; L453-L468 HydrophobicContact CB-CD2 3.97Å; L453-L468 HydrophobicContact CB-CG 3.97Å; V466-L468 HydrophobicContact CB-CD2 4.49Å; V466-L468 HydrophobicContact CG1-CD2 4.12Å; V466-L468 PolarHBondContact O-N 2.78Å; V466-L468 VanDerWaalsContact O-N 3.11Å; L468-R531 HydrophobicContact CD2-CB 4.05Å
469	E	94.4	Very high	82.2	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	139.5	-161.8	-168.5	176.8	-141	0	0	112.5	S35 V37 K451 F467 V471 R516	S35-E469 WeakPolarHBondContact O-CA 3.32Å; V37-E469 HydrophobicContact CG2-CG 3.96Å; V37-E469 WeakPolarHBondContact CG2-OE1 3.34Å; K451-E469 HydrophobicContact CB-CB 4.05Å; K451-E469 HydrophobicContact CD-CB 4.09Å; K451-E469 WeakPolarHBondContact CD-OE2 3.27Å; K451-E469 PolarHBondContact N-O 2.94Å; K451-E469 IonicContact NZ-OE2 2.76Å; K451-E469 PolarHBondContact O-N 3.4Å; F467-E469 WeakPolarHBondContact CE2-O 3.48Å; E469-V471 HydrophobicContact CG-CG2 3.9Å; E469-R516 VanDerWaalsContact CD-NE 3.27Å; E469-R516 WeakPolarHBondContact OE1-CD 3.46Å; E469-R516 IonicContact OE1-CZ 2.69Å; E469-R516 IonicContact OE1-NE 3.46Å; E469-R516 PolarHBondContact OE1-NE 2.74Å; E469-R516 IonicContact OE1-NH2 2.86Å; E469-R516 IonicContact OE2-CZ 2.71Å; E469-R516 IonicContact OE2-NE 3.77Å; E469-R516 PolarHBondContact OE2-NE 3.13Å; E469-R516 IonicContact OE2-NH2 3.23Å; E469-R516 PolarHBondContact OE2-NH2 2.72Å
470	E	93.8	Very high	84.1	Confident	36 Å²	36	39 Å²	39	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.6	166	-168.8	167.2	-177.6	0	0	110.7	P33 S35 Y36 V37 Y420 L450 F467	P33-E470 HydrophobicContact CB-CB 4.43Å; P33-E470 HydrophobicContact CG-CB 4.14Å; S35-E470 PolarHBondContact O-N 3.45Å; Y36-E470 HydrophobicContact CD1-CB 4.4Å; Y36-E470 HydrophobicContact CE1-CB 4.46Å; V37-E470 PolarHBondContact N-O 2.93Å; Y420-E470 WeakPolarHBondContact CE1-OE1 3.46Å; Y420-E470 VanDerWaalsContact OH-CD 3.28Å; Y420-E470 PolarHBondContact OH-OE1 3.06Å; Y420-E470 PolarHBondContact OH-OE2 2.94Å; L450-E470 HydrophobicContact CG-CG 4.4Å; F467-E470 HydrophobicContact CE2-CB 4.33Å; F467-E470 HydrophobicContact CZ-CB 3.96Å; F467-E470 HydrophobicContact CZ-CG 4.5Å
471	V	93.6	Very high	85.9	Confident	7 Å²	7	42 Å²	42	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.3	-174.6	-161.9	0	0	0	0	109.4	V37 V42 Y45 T448 I449 E469 G473 V512	V37-V471 HydrophobicContact CB-CG1 4.17Å; V37-V471 HydrophobicContact CG1-CG1 4.42Å; V37-V471 HydrophobicContact CG2-CB 4.32Å; V37-V471 HydrophobicContact CG2-CG1 4.07Å; V37-V471 HydrophobicContact CG2-CG2 3.78Å; V42-V471 HydrophobicContact CG2-CG1 4.07Å; Y45-V471 HydrophobicContact CE2-CG1 4.47Å; T448-V471 CarbonylContact C-O 3.57Å; T448-V471 WeakPolarHBondContact CA-O 3.49Å; I449-V471 PolarHBondContact N-O 3.34Å; I449-V471 PolarHBondContact O-N 2.86Å; E469-V471 HydrophobicContact CG-CG2 3.9Å; V471-G473 PolarHBondContact O-N 2.96Å; V471-V512 HydrophobicContact CG1-CG1 4.46Å
472	E	93.3	Very high	87.9	Confident	50 Å²	50	40.4 Å²	40.4	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.2	164.8	-171	167.9	-143.2	0	0	109.3	V42 R487	V42-E472 HydrophobicContact CG1-CB 4.4Å; V42-E472 WeakPolarHBondContact CG1-O 3.44Å; E472-R487 IonicContact OE1-CZ 3.18Å; E472-R487 IonicContact OE1-NH1 2.97Å; E472-R487 PolarHBondContact OE1-NH1 2.97Å; E472-R487 IonicContact OE1-NH2 3.72Å; E472-R487 PolarHBondContact OE1-NH2 3.17Å
473	G	92.5	Very high	89.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.206	C	C	.	.			trans	-102.6	-25.6	-177.7	0	0	0	0	0	114.1	G447 V471 F505	G447-G473 VanDerWaalsContact O-CA 3.22Å; G447-G473 WeakPolarHBondContact O-CA 3.26Å; G447-G473 PolarHBondContact O-N 3.02Å; V471-G473 PolarHBondContact O-N 2.96Å; G473-F505 WeakPolarHBondContact O-CE2 3.45Å
474	F	93.1	Very high	90.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.			trans	-85.9	132.3	174.5	-176.2	-100.8	0	0	0	110.5	G447 P476 C479 A486 R487 F505	G447-F474 PolarHBondContact O-N 2.93Å; F474-P476 HydrophobicContact CD1-CG 3.92Å; F474-P476 HydrophobicContact CE1-CB 4.19Å; F474-P476 HydrophobicContact CE1-CG 3.82Å; F474-C479 HydrophobicContact CD2-CB 4.1Å; F474-C479 HydrophobicContact CE2-CB 3.48Å; F474-C479 VanDerWaalsContact CE2-CB 3.48Å; F474-C479 HydrophobicContact CZ-CB 3.76Å; F474-A486 HydrophobicContact CE2-CB 4.05Å; F474-A486 WeakPolarHBondContact CE2-O 3.4Å; F474-A486 HydrophobicContact CZ-CB 3.8Å; F474-R487 HydrophobicContact CB-CG 4.25Å; F474-R487 HydrophobicContact CD1-CG 3.66Å; F474-R487 HydrophobicContact CD2-CG 4.48Å; F474-R487 HydrophobicContact CE1-CG 4.07Å; F474-R487 HydrophobicContact CG-CG 3.88Å; F474-F505 HydrophobicContact CB-CE1 4Å; F474-F505 HydrophobicContact CB-CE2 4.32Å; F474-F505 HydrophobicContact CB-CZ 3.85Å; F474-F505 HydrophobicContact CD2-CB 4.36Å; F474-F505 AromaticContact CD2-CD1 3.85Å; F474-F505 HydrophobicContact CD2-CD1 3.85Å; F474-F505 HydrophobicContact CD2-CD2 4.17Å; F474-F505 HydrophobicContact CD2-CE1 4.13Å; F474-F505 HydrophobicContact CD2-CE2 4.41Å; F474-F505 AromaticContact CD2-CG 3.87Å; F474-F505 HydrophobicContact CD2-CG 3.87Å; F474-F505 HydrophobicContact CD2-CZ 4.4Å
475	N	91.1	Very high	91.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.24	C	C	.	.			trans	-116.2	101.6	177	177.2	-9.6	0	0	0	110.1	R43 E477 K478 C479	R43-N475 WeakPolarHBondContact CA-ND2 3.33Å; R43-N475 PolarHBondContact O-ND2 3.46Å; N475-E477 VanDerWaalsContact C-N 3.31Å; N475-E477 PolarHBondContact O-N 3.36Å; N475-E477 WeakPolarHBondContact OD1-CB 3.27Å; N475-E477 PolarHBondContact OD1-N 3.46Å; N475-E477 VanDerWaalsContact OD1-N 3.09Å; N475-K478 PolarHBondContact O-N 3.28Å; N475-C479 WeakPolarHBondContact O-CB 3.29Å; N475-C479 PolarHBondContact O-N 2.92Å; N475-C479 PolarHBondContact O-SG 3.21Å
476	P	90.4	Very high	91.2	Very high	43 Å²	43	43.2 Å²	43.2	28%	0.279	23%	0.232	S	C	.	.	H	α-helix	trans	-56	-39.7	-179.1	-25.5	33.2	0	0	0	114.2	F474 K478 G480 D482	F474-P476 HydrophobicContact CD1-CG 3.92Å; F474-P476 HydrophobicContact CE1-CB 4.19Å; F474-P476 HydrophobicContact CE1-CG 3.82Å; P476-K478 PolarHBondContact O-N 2.7Å; P476-G480 CarbonylContact C-O 3.5Å; P476-G480 WeakPolarHBondContact CA-O 3.43Å; P476-G480 CarbonylContact O-C 3.6Å; P476-G480 WeakPolarHBondContact O-CA 3.47Å; P476-G480 PolarHBondContact O-N 2.9Å; P476-D482 HydrophobicContact CB-CB 4.34Å; P476-D482 HydrophobicContact CG-CB 4.25Å
477	E	88.9	Confident	91.3	Very high	124 Å²	124	42.8 Å²	42.8	58%	0.579	23%	0.228	S	C	*	.	H	α-helix	trans	-60.7	-33.8	-176.3	-57.9	-179.9	150.1	0	0	112.6	R43 N475	R43-E477 VanDerWaalsContact CD-OE2 3.27Å; R43-E477 WeakPolarHBondContact CD-OE2 3.49Å; R43-E477 IonicContact CZ-OE1 3.95Å; R43-E477 IonicContact NE-OE1 3.88Å; R43-E477 IonicContact NE-OE2 3.17Å; R43-E477 IonicContact NH1-OE1 2.87Å; R43-E477 PolarHBondContact NH1-OE1 2.94Å; R43-E477 IonicContact NH1-OE2 3.43Å; N475-E477 VanDerWaalsContact C-N 3.31Å; N475-E477 PolarHBondContact O-N 3.36Å; N475-E477 WeakPolarHBondContact OD1-CB 3.27Å; N475-E477 PolarHBondContact OD1-N 3.46Å; N475-E477 VanDerWaalsContact OD1-N 3.09Å
478	K	88.8	Confident	91.3	Very high	38 Å²	38	47.3 Å²	47.3	17%	0.165	25%	0.249	C	C	.	.	H	α-helix	trans	-95.7	-49.2	177	-67	177.9	-179.8	163.4	0	111.3	R43 Y45 V47 L49 R58 E92 N475 P476	R43-K478 WeakPolarHBondContact O-CE 3.21Å; R43-K478 PolarHBondContact O-NZ 2.99Å; Y45-K478 PolarHBondContact O-NZ 3.18Å; V47-K478 HydrophobicContact CB-CB 4.49Å; V47-K478 HydrophobicContact CB-CD 4.09Å; V47-K478 HydrophobicContact CG1-CB 4.42Å; V47-K478 HydrophobicContact CG2-CB 4.18Å; V47-K478 HydrophobicContact CG2-CD 3.47Å; V47-K478 VanDerWaalsContact CG2-CD 3.47Å; V47-K478 HydrophobicContact CG2-CG 4.45Å; L49-K478 WeakPolarHBondContact CD2-O 2.98Å; R58-K478 VanDerWaalsContact CZ-O 3.28Å; R58-K478 PolarHBondContact NH1-O 3.22Å; R58-K478 PolarHBondContact NH2-O 3.43Å; E92-K478 IonicContact OE2-NZ 3.22Å; E92-K478 PolarHBondContact OE2-NZ 3.2Å; N475-K478 PolarHBondContact O-N 3.28Å; P476-K478 PolarHBondContact O-N 2.7Å
479	C	89.8	Confident	91.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-77.5	-19.7	-171.1	-62.5	0	0	0	0	114.5	R58 F474 N475 S507 C508	R58-C479 PolarHBondContact NH2-O 3.12Å; R58-C479 VanDerWaalsContact NH2-O 3.17Å; F474-C479 HydrophobicContact CD2-CB 4.1Å; F474-C479 HydrophobicContact CE2-CB 3.48Å; F474-C479 VanDerWaalsContact CE2-CB 3.48Å; F474-C479 HydrophobicContact CZ-CB 3.76Å; N475-C479 WeakPolarHBondContact O-CB 3.29Å; N475-C479 PolarHBondContact O-N 2.92Å; N475-C479 PolarHBondContact O-SG 3.21Å; C479-S507 WeakPolarHBondContact O-CB 3.48Å; C479-S507 PolarHBondContact O-OG 2.95Å; C479-C508 HydrophobicContact CB-CB 3.78Å; C479-C508 WeakPolarHBondContact CB-SG 3.24Å; C479-C508 WeakPolarHBondContact SG-CB 3.28Å; C479-C508 CovalentContact SG-SG 2.03Å; C479-C508 PolarHBondContact SG-SG 2.71Å
480	G	87.1	Confident	91.3	Very high	28 Å²	28	50 Å²	50	29%	0.289	26%	0.263	S	S	.	.			trans	110	-154.4	177.1	0	0	0	0	0	113.4	P476 D482	P476-G480 CarbonylContact C-O 3.5Å; P476-G480 WeakPolarHBondContact CA-O 3.43Å; P476-G480 CarbonylContact O-C 3.6Å; P476-G480 WeakPolarHBondContact O-CA 3.47Å; P476-G480 PolarHBondContact O-N 2.9Å; G480-D482 PolarHBondContact O-N 3.4Å
481	E	86.6	Confident	91.3	Very high	167 Å²	167	49.7 Å²	49.7	78%	0.78	27%	0.265	S	S	*	.	S	Bend	trans	-55.6	129.9	-171.9	-172.2	177.3	171	0	0	113.3	S483 A486	E481-S483 VanDerWaalsContact C-N 3.35Å; E481-S483 PolarHBondContact O-N 2.68Å; E481-A486 VanDerWaalsContact O-CB 3.26Å; E481-A486 WeakPolarHBondContact O-CB 3.29Å
482	D	88.6	Confident	91.5	Very high	86 Å²	86	50 Å²	50	46%	0.46	27%	0.266	S	S	.	.			trans	-76.4	85.9	177.2	-165.2	-23.7	0	0	0	110.5	P476 G480 R487	P476-D482 HydrophobicContact CB-CB 4.34Å; P476-D482 HydrophobicContact CG-CB 4.25Å; G480-D482 PolarHBondContact O-N 3.4Å; D482-R487 WeakPolarHBondContact OD1-CD 3.39Å; D482-R487 IonicContact OD1-CZ 2.74Å; D482-R487 IonicContact OD1-NE 3.59Å; D482-R487 PolarHBondContact OD1-NE 3.42Å; D482-R487 IonicContact OD1-NH2 3.82Å; D482-R487 IonicContact OD2-CZ 3.34Å; D482-R487 IonicContact OD2-NE 3.41Å; D482-R487 PolarHBondContact OD2-NE 3.09Å; D482-R487 IonicContact OD2-NH2 3.06Å; D482-R487 PolarHBondContact OD2-NH2 2.9Å
483	S	92.2	Very high	91.6	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	26%	0.264	C	S	.	.			trans	-120.5	153.5	175.3	61.8	0	0	0	0	111	E481 Q485 A486 R487	E481-S483 VanDerWaalsContact C-N 3.35Å; E481-S483 PolarHBondContact O-N 2.68Å; S483-Q485 PolarHBondContact O-N 2.92Å; S483-Q485 VanDerWaalsContact O-N 3.16Å; S483-A486 PolarHBondContact O-N 3.03Å; S483-A486 VanDerWaalsContact O-N 3.08Å; S483-A486 VanDerWaalsContact OG-CB 3.26Å; S483-A486 WeakPolarHBondContact OG-CB 3.47Å; S483-A486 PolarHBondContact OG-N 2.83Å; S483-A486 VanDerWaalsContact OG-N 3.12Å; S483-R487 PolarHBondContact O-N 2.93Å
484	P	90.1	Very high	91.7	Very high	101 Å²	101	50 Å²	50	66%	0.656	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.8	174.2	-26.4	35.2	0	0	0	113.3	Q488	P484-Q488 PolarHBondContact O-N 2.68Å
485	Q	89.2	Confident	91.8	Very high	131 Å²	131	50 Å²	50	61%	0.612	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-43.1	176.9	-64.7	80	-2	0	0	111.7	S483 Q488	S483-Q485 PolarHBondContact O-N 2.92Å; S483-Q485 VanDerWaalsContact O-N 3.16Å; Q485-Q488 WeakPolarHBondContact O-CB 3.35Å; Q485-Q488 PolarHBondContact O-N 2.88Å
486	A	91.7	Very high	91.7	Very high	14 Å²	14	54 Å²	54	12%	0.116	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-34.6	176.6	0	0	0	0	0	112.6	F474 E481 S483 Q488	F474-A486 HydrophobicContact CE2-CB 4.05Å; F474-A486 WeakPolarHBondContact CE2-O 3.4Å; F474-A486 HydrophobicContact CZ-CB 3.8Å; E481-A486 VanDerWaalsContact O-CB 3.26Å; E481-A486 WeakPolarHBondContact O-CB 3.29Å; S483-A486 PolarHBondContact O-N 3.03Å; S483-A486 VanDerWaalsContact O-N 3.08Å; S483-A486 VanDerWaalsContact OG-CB 3.26Å; S483-A486 WeakPolarHBondContact OG-CB 3.47Å; S483-A486 PolarHBondContact OG-N 2.83Å; S483-A486 VanDerWaalsContact OG-N 3.12Å; A486-Q488 PolarHBondContact O-N 3.26Å
487	R	93.6	Very high	91.7	Very high	18 Å²	18	57 Å²	57	7%	0.068	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.5	173.7	-79.4	-176.9	174.6	-89.6	-4.1	114.5	R446 G447 E472 F474 D482 S483 L489 F505	R446-R487 WeakPolarHBondContact O-CD 3.37Å; R446-R487 PolarHBondContact O-NH1 2.91Å; G447-R487 WeakPolarHBondContact CA-O 3.2Å; G447-R487 PolarHBondContact N-O 3.46Å; E472-R487 IonicContact OE1-CZ 3.18Å; E472-R487 IonicContact OE1-NH1 2.97Å; E472-R487 PolarHBondContact OE1-NH1 2.97Å; E472-R487 IonicContact OE1-NH2 3.72Å; E472-R487 PolarHBondContact OE1-NH2 3.17Å; F474-R487 HydrophobicContact CB-CG 4.25Å; F474-R487 HydrophobicContact CD1-CG 3.66Å; F474-R487 HydrophobicContact CD2-CG 4.48Å; F474-R487 HydrophobicContact CE1-CG 4.07Å; F474-R487 HydrophobicContact CG-CG 3.88Å; D482-R487 WeakPolarHBondContact OD1-CD 3.39Å; D482-R487 IonicContact OD1-CZ 2.74Å; D482-R487 IonicContact OD1-NE 3.59Å; D482-R487 PolarHBondContact OD1-NE 3.42Å; D482-R487 IonicContact OD1-NH2 3.82Å; D482-R487 IonicContact OD2-CZ 3.34Å; D482-R487 IonicContact OD2-NE 3.41Å; D482-R487 PolarHBondContact OD2-NE 3.09Å; D482-R487 IonicContact OD2-NH2 3.06Å; D482-R487 PolarHBondContact OD2-NH2 2.9Å; S483-R487 PolarHBondContact O-N 2.93Å; R487-L489 PolarHBondContact O-N 2.95Å; R487-L489 VanDerWaalsContact O-N 3.07Å; R487-F505 WeakPolarHBondContact O-CE1 3.48Å
488	Q	92.8	Very high	91.7	Very high	105 Å²	105	53 Å²	53	49%	0.491	29%	0.287	S	S	.	.			trans	-66.1	109.5	-179.6	-173.8	179.2	0.5	0	0	110.5	P484 Q485 A486 L490 P506	P484-Q488 PolarHBondContact O-N 2.68Å; Q485-Q488 WeakPolarHBondContact O-CB 3.35Å; Q485-Q488 PolarHBondContact O-N 2.88Å; A486-Q488 PolarHBondContact O-N 3.26Å; Q488-L490 HydrophobicContact CG-CD2 4.3Å; Q488-L490 PolarHBondContact O-N 3Å; Q488-P506 WeakPolarHBondContact O-CD 3.48Å
489	L	95.2	Very high	91.8	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	29%	0.285	C	S	.	.			trans	-71.3	119.2	173.9	-172.4	69.8	0	0	0	109.9	A424 I449 R487 S491 L492 L503 F505	A424-L489 HydrophobicContact CB-CD2 3.91Å; A424-L489 HydrophobicContact CB-CG 4.44Å; I449-L489 HydrophobicContact CD1-CD2 3.75Å; R487-L489 PolarHBondContact O-N 2.95Å; R487-L489 VanDerWaalsContact O-N 3.07Å; L489-S491 WeakPolarHBondContact CD1-O 3.49Å; L489-L492 HydrophobicContact CD2-CB 4.28Å; L489-L503 HydrophobicContact CD1-CB 3.83Å; L489-L503 HydrophobicContact CD1-CD2 4.49Å; L489-F505 HydrophobicContact CB-CE1 4.04Å; L489-F505 HydrophobicContact CD1-CD1 4.3Å; L489-F505 HydrophobicContact CD1-CE1 3.78Å; L489-F505 HydrophobicContact CD1-CE2 4.21Å; L489-F505 HydrophobicContact CD1-CZ 3.74Å
490	L	94.3	Very high	92.1	Very high	61 Å²	61	53.1 Å²	53.1	32%	0.319	29%	0.289	S	S	.	.			trans	-92.6	-34	-176.1	-56.3	177.5	0	0	0	112.8	I63 Q488 A504 P506	I63-L490 HydrophobicContact CB-CD1 4.26Å; I63-L490 HydrophobicContact CG2-CD1 4.32Å; I63-L490 WeakPolarHBondContact O-CD1 3.44Å; Q488-L490 HydrophobicContact CG-CD2 4.3Å; Q488-L490 PolarHBondContact O-N 3Å; L490-A504 WeakPolarHBondContact CB-O 3.31Å; L490-A504 PolarHBondContact N-O 2.75Å; L490-P506 HydrophobicContact CD1-CB 4.48Å; L490-P506 HydrophobicContact CD1-CG 4.05Å; L490-P506 HydrophobicContact CD2-CG 4.41Å; L490-P506 HydrophobicContact CG-CG 4.35Å
491	S	94.3	Very high	92.5	Very high	29 Å²	29	52 Å²	52	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	149.3	177.2	-175.8	0	0	0	0	110.7	L489 A504	L489-S491 WeakPolarHBondContact CD1-O 3.49Å; S491-A504 PolarHBondContact O-N 2.82Å
492	L	96.8	Very high	93	Very high	13 Å²	13	44 Å²	44	7%	0.068	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.2	178.9	171.7	57.7	0	0	0	107.2	A424 V426 F441 I449 L489 L501 L503	A424-L492 HydrophobicContact CB-CB 3.89Å; A424-L492 HydrophobicContact CB-CD2 4.36Å; V426-L492 HydrophobicContact CB-CD2 4.47Å; V426-L492 HydrophobicContact CB-CG 4.08Å; V426-L492 HydrophobicContact CG1-CD1 4.1Å; V426-L492 HydrophobicContact CG1-CD2 4.05Å; V426-L492 HydrophobicContact CG1-CG 3.66Å; F441-L492 HydrophobicContact CB-CD2 4.38Å; F441-L492 WeakPolarHBondContact O-CD2 3.31Å; I449-L492 HydrophobicContact CD1-CD1 4.5Å; L489-L492 HydrophobicContact CD2-CB 4.28Å; L492-L501 HydrophobicContact CD1-CB 4.34Å; L492-L501 HydrophobicContact CD1-CD2 4.32Å; L492-L503 HydrophobicContact CD1-CD2 3.37Å
493	T	96	Very high	93.4	Very high	32 Å²	32	40 Å²	40	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.3	-175.5	-45	0	0	0	0	110.7	Q68 L501 L502	Q68-T493 HydrophobicContact CB-CG2 4.13Å; T493-L501 CarbonylContact O-C 3.57Å; T493-L501 VanDerWaalsContact O-CA 3.3Å; T493-L501 WeakPolarHBondContact O-CA 3.16Å; T493-L502 PolarHBondContact N-O 2.98Å; T493-L502 PolarHBondContact O-N 3.1Å
494	L	95.4	Very high	93.6	Very high	19 Å²	19	38.8 Å²	38.8	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109	-178.3	172.9	65.4	0	0	0	111.1	V426 D428 R496 L501 T514	V426-L494 HydrophobicContact CG1-CB 4.18Å; V426-L494 HydrophobicContact CG2-CB 3.75Å; D428-L494 HydrophobicContact CB-CD2 3.58Å; L494-R496 HydrophobicContact CD2-CG 3.84Å; L494-R496 HydrophobicContact CG-CG 3.94Å; L494-R496 PolarHBondContact O-N 3.34Å; L494-R496 VanDerWaalsContact O-N 3.09Å; L494-L501 HydrophobicContact CB-CD2 4.31Å; L494-L501 HydrophobicContact CD1-CD2 3.85Å; L494-T514 HydrophobicContact CD1-CG2 3.56Å
495	D	94.1	Very high	93.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	90	165	178.5	16.2	0	0	0	109.6	R71 L86 T497 S498 H499 T500 R511	R71-D495 IonicContact CZ-OD2 2.69Å; R71-D495 IonicContact NH1-OD1 3.45Å; R71-D495 PolarHBondContact NH1-OD1 3Å; R71-D495 IonicContact NH1-OD2 3.63Å; R71-D495 PolarHBondContact NH1-OD2 2.86Å; R71-D495 IonicContact NH2-OD2 2.77Å; R71-D495 PolarHBondContact NH2-OD2 3.23Å; L86-D495 HydrophobicContact CD1-CB 4.22Å; D495-T497 PolarHBondContact O-N 2.8Å; D495-T497 VanDerWaalsContact O-N 3.14Å; D495-T497 WeakPolarHBondContact OD1-CB 3.26Å; D495-T497 PolarHBondContact OD1-N 3.44Å; D495-S498 VanDerWaalsContact CG-OG 3.29Å; D495-S498 PolarHBondContact O-N 2.82Å; D495-S498 VanDerWaalsContact OD2-CB 3.25Å; D495-S498 WeakPolarHBondContact OD2-CB 3.36Å; D495-S498 PolarHBondContact OD2-N 3.07Å; D495-S498 PolarHBondContact OD2-OG 3.2Å; D495-H499 WeakPolarHBondContact O-CA 3.39Å; D495-H499 PolarHBondContact O-N 2.93Å; D495-T500 PolarHBondContact N-O 3.11Å; D495-T500 PolarHBondContact O-N 2.75Å; D495-R511 IonicContact OD2-NH2 3.63Å
496	R	90.4	Very high	94.2	Very high	89 Å²	89	29.2 Å²	29.2	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.4	175.7	-68.3	-172.4	-179.9	-152.6	-6.5	113.1	V427 D428 T429 E430 L494 H499	V427-R496 PolarHBondContact O-NH2 2.77Å; D428-R496 IonicContact OD1-CZ 3.32Å; D428-R496 IonicContact OD1-NE 2.75Å; D428-R496 IonicContact OD1-NH2 3.66Å; T429-R496 PolarHBondContact OG1-NH1 3.48Å; T429-R496 PolarHBondContact OG1-NH2 2.91Å; E430-R496 IonicContact OE1-CZ 2.69Å; E430-R496 IonicContact OE1-NH1 3.47Å; E430-R496 PolarHBondContact OE1-NH1 2.92Å; L494-R496 HydrophobicContact CD2-CG 3.84Å; L494-R496 HydrophobicContact CG-CG 3.94Å; L494-R496 PolarHBondContact O-N 3.34Å; L494-R496 VanDerWaalsContact O-N 3.09Å; R496-H499 PolarHBondContact O-CE1 3.04Å; R496-H499 PolarHBondContact O-ND1 2.98Å
497	T	88.9	Confident	94.3	Very high	106 Å²	106	30 Å²	30	65%	0.65	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-37.6	-176.8	-52.2	0	0	0	0	113	D495	D495-T497 PolarHBondContact O-N 2.8Å; D495-T497 VanDerWaalsContact O-N 3.14Å; D495-T497 WeakPolarHBondContact OD1-CB 3.26Å; D495-T497 PolarHBondContact OD1-N 3.44Å
498	S	89.3	Confident	94.3	Very high	38 Å²	38	29.2 Å²	29.2	27%	0.266	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.7	175.1	68.8	0	0	0	0	114	D495 T500 R511	D495-S498 VanDerWaalsContact CG-OG 3.29Å; D495-S498 PolarHBondContact O-N 2.82Å; D495-S498 VanDerWaalsContact OD2-CB 3.25Å; D495-S498 WeakPolarHBondContact OD2-CB 3.36Å; D495-S498 PolarHBondContact OD2-N 3.07Å; D495-S498 PolarHBondContact OD2-OG 3.2Å; S498-T500 PolarHBondContact OG-OG1 3.02Å; S498-T500 VanDerWaalsContact OG-OG1 3.1Å; S498-R511 VanDerWaalsContact CB-NH2 3.3Å; S498-R511 PolarHBondContact OG-NH2 2.67Å
499	H	92	Very high	94.5	Very high	28 Å²	28	24.2 Å²	24.2	13%	0.13	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	43.4	-175.3	-52.6	-70.6	0	0	0	113	D495 R496 T514 F545	D495-H499 WeakPolarHBondContact O-CA 3.39Å; D495-H499 PolarHBondContact O-N 2.93Å; R496-H499 PolarHBondContact O-CE1 3.04Å; R496-H499 PolarHBondContact O-ND1 2.98Å; H499-T514 WeakPolarHBondContact O-CB 3.26Å; H499-T514 WeakPolarHBondContact O-CG2 3.27Å; H499-T514 PolarHBondContact O-N 2.68Å; H499-T514 PolarHBondContact O-OG1 3.14Å; H499-F545 HydrophobicContact CB-CE1 4.29Å; H499-F545 HydrophobicContact CB-CE2 4.11Å; H499-F545 HydrophobicContact CB-CZ 3.51Å; H499-F545 AromaticContact CD2-CE1 3.49Å; H499-F545 VanDerWaalsContact CD2-CE1 3.49Å; H499-F545 WeakPolarHBondContact CD2-CE1 3.46Å; H499-F545 AromaticContact CD2-CZ 3.57Å; H499-F545 AromaticContact CG-CE1 3.89Å; H499-F545 AromaticContact CG-CZ 3.44Å; H499-F545 VanDerWaalsContact CG-CZ 3.44Å; H499-F545 AromaticContact NE2-CE1 3.92Å
500	T	94.8	Very high	94.5	Very high	16 Å²	16	24 Å²	24	10%	0.098	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.5	176.3	67.3	0	0	0	0	112.7	D495 S498 R511 V512	D495-T500 PolarHBondContact N-O 3.11Å; D495-T500 PolarHBondContact O-N 2.75Å; S498-T500 PolarHBondContact OG-OG1 3.02Å; S498-T500 VanDerWaalsContact OG-OG1 3.1Å; T500-R511 HydrophobicContact CG2-CG 4.08Å; T500-R511 PolarHBondContact OG1-NE 3.09Å; T500-V512 CarbonylContact C-O 3.58Å; T500-V512 WeakPolarHBondContact CA-O 3.47Å; T500-V512 WeakPolarHBondContact CB-O 3.25Å
501	L	96.8	Very high	94.5	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.9	165.3	-55.7	171.3	0	0	0	110.2	V426 F441 I449 L492 T493 L494 L503 R511 V512 T514	V426-L501 HydrophobicContact CG1-CD2 3.9Å; F441-L501 HydrophobicContact CB-CD1 4.35Å; F441-L501 HydrophobicContact CB-CD2 4.41Å; F441-L501 HydrophobicContact CD1-CD1 3.62Å; F441-L501 HydrophobicContact CD1-CD2 4.36Å; F441-L501 HydrophobicContact CD2-CD2 3.9Å; F441-L501 HydrophobicContact CE1-CD1 3.95Å; F441-L501 HydrophobicContact CE2-CD2 4.16Å; F441-L501 HydrophobicContact CG-CD1 3.97Å; F441-L501 HydrophobicContact CG-CD2 3.98Å; F441-L501 HydrophobicContact CZ-CD2 4.49Å; I449-L501 HydrophobicContact CG2-CD1 4.19Å; L492-L501 HydrophobicContact CD1-CB 4.34Å; L492-L501 HydrophobicContact CD1-CD2 4.32Å; T493-L501 CarbonylContact O-C 3.57Å; T493-L501 VanDerWaalsContact O-CA 3.3Å; T493-L501 WeakPolarHBondContact O-CA 3.16Å; L494-L501 HydrophobicContact CB-CD2 4.31Å; L494-L501 HydrophobicContact CD1-CD2 3.85Å; L501-L503 HydrophobicContact CB-CD2 4.18Å; L501-R511 CarbonylContact O-C 3.48Å; L501-R511 WeakPolarHBondContact O-CA 3.38Å; L501-V512 PolarHBondContact N-O 2.98Å; L501-V512 PolarHBondContact O-N 2.83Å; L501-T514 HydrophobicContact CD2-CG2 4.45Å; L501-T514 HydrophobicContact CG-CG2 4.39Å
502	L	96.8	Very high	94.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.3	173.7	-58.2	174.1	0	0	0	107.8	L73 L86 T493 L509 R511	L73-L502 HydrophobicContact CD1-CD1 3.8Å; L73-L502 HydrophobicContact CD2-CD1 4.13Å; L86-L502 HydrophobicContact CD1-CD1 4.35Å; L86-L502 HydrophobicContact CD2-CD1 3.97Å; L86-L502 HydrophobicContact CD2-CD2 4.07Å; T493-L502 PolarHBondContact N-O 2.98Å; T493-L502 PolarHBondContact O-N 3.1Å; L502-L509 HydrophobicContact CB-CD2 4.25Å; L502-L509 HydrophobicContact CD2-CD2 4.18Å; L502-R511 HydrophobicContact CD2-CB 4.08Å; L502-R511 HydrophobicContact CD2-CG 3.85Å
503	L	97.3	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.3	-173.6	-50.6	-172.8	0	0	0	109.6	I449 L489 L492 L501 F505 L509 V510 V512	I449-L503 HydrophobicContact CD1-CD1 4.02Å; I449-L503 HydrophobicContact CD1-CD2 3.68Å; I449-L503 HydrophobicContact CD1-CG 4.49Å; I449-L503 HydrophobicContact CG1-CD1 3.71Å; I449-L503 HydrophobicContact CG1-CD2 3.98Å; L489-L503 HydrophobicContact CD1-CB 3.83Å; L489-L503 HydrophobicContact CD1-CD2 4.49Å; L492-L503 HydrophobicContact CD1-CD2 3.37Å; L501-L503 HydrophobicContact CB-CD2 4.18Å; L503-F505 HydrophobicContact CB-CD2 4.49Å; L503-F505 HydrophobicContact CB-CE2 3.75Å; L503-F505 HydrophobicContact CB-CZ 4.28Å; L503-F505 HydrophobicContact CD1-CE2 4.5Å; L503-L509 CarbonylContact O-C 3.59Å; L503-L509 VanDerWaalsContact O-CA 3.26Å; L503-L509 WeakPolarHBondContact O-CA 3.27Å; L503-V510 HydrophobicContact CB-CB 4.32Å; L503-V510 PolarHBondContact N-O 3.18Å; L503-V510 PolarHBondContact O-N 3.33Å; L503-V512 HydrophobicContact CD1-CB 4.47Å; L503-V512 HydrophobicContact CD1-CG2 3.61Å; L503-V512 HydrophobicContact CG-CG2 4.16Å
504	A	96.8	Very high	94.5	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.6	-178.2	0	0	0	0	0	111.5	I63 V66 L490 S491 L509	I63-A504 HydrophobicContact CG2-CB 4.41Å; V66-A504 HydrophobicContact CG2-CB 3.72Å; L490-A504 WeakPolarHBondContact CB-O 3.31Å; L490-A504 PolarHBondContact N-O 2.75Å; S491-A504 PolarHBondContact O-N 2.82Å; A504-L509 HydrophobicContact CB-CD1 4.18Å
505	F	96.3	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	163.3	173	-60.1	-80.1	0	0	0	109.4	I63 G473 F474 R487 L489 L503 S507 C508 V510	I63-F505 WeakPolarHBondContact CB-O 3.32Å; G473-F505 WeakPolarHBondContact O-CE2 3.45Å; F474-F505 HydrophobicContact CB-CE1 4Å; F474-F505 HydrophobicContact CB-CE2 4.32Å; F474-F505 HydrophobicContact CB-CZ 3.85Å; F474-F505 HydrophobicContact CD2-CB 4.36Å; F474-F505 AromaticContact CD2-CD1 3.85Å; F474-F505 HydrophobicContact CD2-CD1 3.85Å; F474-F505 HydrophobicContact CD2-CD2 4.17Å; F474-F505 HydrophobicContact CD2-CE1 4.13Å; F474-F505 HydrophobicContact CD2-CE2 4.41Å; F474-F505 AromaticContact CD2-CG 3.87Å; F474-F505 HydrophobicContact CD2-CG 3.87Å; F474-F505 HydrophobicContact CD2-CZ 4.4Å; R487-F505 WeakPolarHBondContact O-CE1 3.48Å; L489-F505 HydrophobicContact CB-CE1 4.04Å; L489-F505 HydrophobicContact CD1-CD1 4.3Å; L489-F505 HydrophobicContact CD1-CE1 3.78Å; L489-F505 HydrophobicContact CD1-CE2 4.21Å; L489-F505 HydrophobicContact CD1-CZ 3.74Å; L503-F505 HydrophobicContact CB-CD2 4.49Å; L503-F505 HydrophobicContact CB-CE2 3.75Å; L503-F505 HydrophobicContact CB-CZ 4.28Å; L503-F505 HydrophobicContact CD1-CE2 4.5Å; F505-S507 PolarHBondContact O-N 2.64Å; F505-S507 VanDerWaalsContact O-N 3.13Å; F505-C508 CarbonylContact C-O 3.48Å; F505-C508 WeakPolarHBondContact CA-O 3.33Å; F505-C508 PolarHBondContact N-O 3.38Å; F505-C508 PolarHBondContact O-N 2.87Å; F505-V510 HydrophobicContact CD2-CG2 4.21Å; F505-V510 HydrophobicContact CE2-CG2 4.07Å
506	P	94.6	Very high	94.3	Very high	31 Å²	31	19.8 Å²	19.8	20%	0.201	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.2	-177.7	-26.2	34.8	0	0	0	114.1	H62 I63 Q488 L490	H62-P506 CarbonylContact C-O 3.51Å; H62-P506 WeakPolarHBondContact CA-O 3.03Å; H62-P506 PolarHBondContact N-O 3.04Å; I63-P506 PolarHBondContact N-O 2.98Å; Q488-P506 WeakPolarHBondContact O-CD 3.48Å; L490-P506 HydrophobicContact CD1-CB 4.48Å; L490-P506 HydrophobicContact CD1-CG 4.05Å; L490-P506 HydrophobicContact CD2-CG 4.41Å; L490-P506 HydrophobicContact CG-CG 4.35Å
507	S	93.7	Very high	94.4	Very high	32 Å²	32	15.7 Å²	15.7	22%	0.224	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-9.6	-174.4	60.4	0	0	0	0	115.4	C479 F505	C479-S507 WeakPolarHBondContact O-CB 3.48Å; C479-S507 PolarHBondContact O-OG 2.95Å; F505-S507 PolarHBondContact O-N 2.64Å; F505-S507 VanDerWaalsContact O-N 3.13Å
508	C	94.5	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166	-173.8	71.8	0	0	0	0	112	V47 F48 L49 C479 F505	V47-C508 HydrophobicContact CG1-CB 3.73Å; F48-C508 WeakPolarHBondContact O-CA 3.4Å; L49-C508 HydrophobicContact CD2-CB 3.93Å; C479-C508 HydrophobicContact CB-CB 3.78Å; C479-C508 WeakPolarHBondContact CB-SG 3.24Å; C479-C508 WeakPolarHBondContact SG-CB 3.28Å; C479-C508 CovalentContact SG-SG 2.03Å; C479-C508 PolarHBondContact SG-SG 2.71Å; F505-C508 CarbonylContact C-O 3.48Å; F505-C508 WeakPolarHBondContact CA-O 3.33Å; F505-C508 PolarHBondContact N-O 3.38Å; F505-C508 PolarHBondContact O-N 2.87Å
509	L	95.7	Very high	94.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.7	164.8	-177.6	155.9	0	0	0	110.1	V47 F48 I63 V66 L73 I75 M94 L502 L503 A504	V47-L509 CarbonylContact C-O 3.5Å; V47-L509 WeakPolarHBondContact CA-O 3.32Å; F48-L509 HydrophobicContact CB-CB 4.24Å; F48-L509 PolarHBondContact N-O 2.92Å; F48-L509 PolarHBondContact O-N 3.18Å; F48-L509 VanDerWaalsContact O-N 3.16Å; I63-L509 HydrophobicContact CD1-CB 4.22Å; V66-L509 HydrophobicContact CG1-CD1 4.05Å; V66-L509 HydrophobicContact CG2-CD1 4.09Å; L73-L509 HydrophobicContact CD2-CD1 3.79Å; L73-L509 HydrophobicContact CD2-CD2 4.21Å; I75-L509 HydrophobicContact CD1-CD1 4.13Å; M94-L509 HydrophobicContact CE-CD2 3.72Å; M94-L509 VanDerWaalsContact CE-O 3.25Å; M94-L509 WeakPolarHBondContact CE-O 3.41Å; L502-L509 HydrophobicContact CB-CD2 4.25Å; L502-L509 HydrophobicContact CD2-CD2 4.18Å; L503-L509 CarbonylContact O-C 3.59Å; L503-L509 VanDerWaalsContact O-CA 3.26Å; L503-L509 WeakPolarHBondContact O-CA 3.27Å; A504-L509 HydrophobicContact CB-CD1 4.18Å
510	V	95.8	Very high	94.2	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.5	-175.3	-173	0	0	0	0	110.3	V47 L503 F505 V512	V47-V510 HydrophobicContact CG1-CG2 4.31Å; V47-V510 HydrophobicContact CG2-CG1 4.3Å; V47-V510 HydrophobicContact CG2-CG2 4.1Å; L503-V510 HydrophobicContact CB-CB 4.32Å; L503-V510 PolarHBondContact N-O 3.18Å; L503-V510 PolarHBondContact O-N 3.33Å; F505-V510 HydrophobicContact CD2-CG2 4.21Å; F505-V510 HydrophobicContact CE2-CG2 4.07Å; V510-V512 HydrophobicContact CG1-CG2 3.94Å
511	R	95.4	Very high	93.5	Very high	16 Å²	16	17.2 Å²	17.2	6%	0.06	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.9	177.8	-176.7	176	-172.9	-177	5.3	111.3	P46 L86 M89 M94 D495 S498 T500 L501 L502	P46-R511 HydrophobicContact CB-CB 4.35Å; P46-R511 PolarHBondContact O-N 3.05Å; L86-R511 PolarHBondContact O-NH1 3.03Å; M89-R511 PolarHBondContact SD-NH1 2.85Å; M94-R511 HydrophobicContact CE-CB 3.8Å; M94-R511 HydrophobicContact SD-CB 3.85Å; D495-R511 IonicContact OD2-NH2 3.63Å; S498-R511 VanDerWaalsContact CB-NH2 3.3Å; S498-R511 PolarHBondContact OG-NH2 2.67Å; T500-R511 HydrophobicContact CG2-CG 4.08Å; T500-R511 PolarHBondContact OG1-NE 3.09Å; L501-R511 CarbonylContact O-C 3.48Å; L501-R511 WeakPolarHBondContact O-CA 3.38Å; L502-R511 HydrophobicContact CD2-CB 4.08Å; L502-R511 HydrophobicContact CD2-CG 3.85Å
512	V	95	Very high	92.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.6	-173.7	-179.8	0	0	0	0	109.3	Y45 V471 T500 L501 L503 V510	Y45-V512 HydrophobicContact CD2-CB 4.35Å; Y45-V512 HydrophobicContact CD2-CG1 4.19Å; Y45-V512 HydrophobicContact CD2-CG2 3.77Å; Y45-V512 HydrophobicContact CE2-CB 4.41Å; Y45-V512 HydrophobicContact CE2-CG1 3.75Å; Y45-V512 HydrophobicContact CE2-CG2 4.16Å; Y45-V512 HydrophobicContact CG-CG2 4.39Å; V471-V512 HydrophobicContact CG1-CG1 4.46Å; T500-V512 CarbonylContact C-O 3.58Å; T500-V512 WeakPolarHBondContact CA-O 3.47Å; T500-V512 WeakPolarHBondContact CB-O 3.25Å; L501-V512 PolarHBondContact N-O 2.98Å; L501-V512 PolarHBondContact O-N 2.83Å; L503-V512 HydrophobicContact CD1-CB 4.47Å; L503-V512 HydrophobicContact CD1-CG2 3.61Å; L503-V512 HydrophobicContact CG-CG2 4.16Å; V510-V512 HydrophobicContact CG1-CG2 3.94Å
513	P	95	Very high	92.5	Very high	36 Å²	36	27.5 Å²	27.5	23%	0.234	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	149.5	175.2	27.3	-32.2	0	0	0	111	Y45 S515 R516	Y45-P513 HydrophobicContact CE1-CG 3.79Å; P513-S515 PolarHBondContact O-N 2.86Å; P513-R516 PolarHBondContact O-NH1 2.86Å; P513-R516 PolarHBondContact O-NH2 2.82Å
514	T	95.1	Very high	92.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-63.4	-18.8	176.8	47.8	0	0	0	0	113.3	F441 K451 L494 H499 L501 R516	F441-T514 HydrophobicContact CE2-CG2 4.34Å; F441-T514 HydrophobicContact CZ-CG2 3.9Å; K451-T514 PolarHBondContact NZ-O 2.94Å; L494-T514 HydrophobicContact CD1-CG2 3.56Å; H499-T514 WeakPolarHBondContact O-CB 3.26Å; H499-T514 WeakPolarHBondContact O-CG2 3.27Å; H499-T514 PolarHBondContact O-N 2.68Å; H499-T514 PolarHBondContact O-OG1 3.14Å; L501-T514 HydrophobicContact CD2-CG2 4.45Å; L501-T514 HydrophobicContact CG-CG2 4.39Å; T514-R516 PolarHBondContact O-NH2 3.3Å
515	S	94.1	Very high	91.7	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.042	16%	0.157	C	C	.	.			trans	-154	159.8	-178.3	178.2	0	0	0	0	112.4	P513 C517 D532 C535	P513-S515 PolarHBondContact O-N 2.86Å; S515-C517 PolarHBondContact OG-SG 2.69Å; S515-D532 WeakPolarHBondContact CB-OD2 3.42Å; S515-D532 PolarHBondContact OG-OD2 3.26Å; S515-C535 PolarHBondContact OG-SG 3.19Å
516	R	92.6	Very high	91.3	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.019	17%	0.173	C	C	.	.			trans	-125.9	38.1	-178.8	-75.7	137.4	-80.8	-74	-4	113	V37 Y45 E469 P513 T514 H518 L519	V37-R516 VanDerWaalsContact CG2-CD 3.45Å; Y45-R516 VanDerWaalsContact OH-CD 3.3Å; Y45-R516 WeakPolarHBondContact OH-CD 3.06Å; Y45-R516 PolarHBondContact OH-NH1 3.17Å; E469-R516 VanDerWaalsContact CD-NE 3.27Å; E469-R516 WeakPolarHBondContact OE1-CD 3.46Å; E469-R516 IonicContact OE1-CZ 2.69Å; E469-R516 IonicContact OE1-NE 3.46Å; E469-R516 PolarHBondContact OE1-NE 2.74Å; E469-R516 IonicContact OE1-NH2 2.86Å; E469-R516 IonicContact OE2-CZ 2.71Å; E469-R516 IonicContact OE2-NE 3.77Å; E469-R516 PolarHBondContact OE2-NE 3.13Å; E469-R516 IonicContact OE2-NH2 3.23Å; E469-R516 PolarHBondContact OE2-NH2 2.72Å; P513-R516 PolarHBondContact O-NH1 2.86Å; P513-R516 PolarHBondContact O-NH2 2.82Å; T514-R516 PolarHBondContact O-NH2 3.3Å; R516-H518 PolarHBondContact O-N 2.9Å; R516-L519 HydrophobicContact CB-CD1 3.69Å; R516-L519 HydrophobicContact CB-CG 4Å; R516-L519 HydrophobicContact CG-CD1 4.18Å; R516-L519 WeakPolarHBondContact O-CB 3.45Å; R516-L519 PolarHBondContact O-N 3.17Å
517	C	92.3	Very high	91.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.02	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-44.9	-32.3	-177.4	-46.4	0	0	0	0	115.5	S515 L519 H520 C535 C543	S515-C517 PolarHBondContact OG-SG 2.69Å; C517-L519 PolarHBondContact O-N 2.93Å; C517-H520 PolarHBondContact O-N 3.17Å; C517-C535 WeakPolarHBondContact CA-SG 3.37Å; C517-C535 HydrophobicContact CB-CB 3.9Å; C517-C535 WeakPolarHBondContact CB-SG 3.4Å; C517-C535 WeakPolarHBondContact SG-CA 3.49Å; C517-C535 WeakPolarHBondContact SG-CB 3.35Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 3.17Å; C517-C543 WeakPolarHBondContact O-CB 3.29Å
518	H	89.8	Confident	91	Very high	115 Å²	115	31.2 Å²	31.2	53%	0.532	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-60	-24.9	177.1	64.6	-94.8	0	0	0	114.5	R516 H520 A521	R516-H518 PolarHBondContact O-N 2.9Å; H518-H520 VanDerWaalsContact C-N 3.34Å; H518-A521 WeakPolarHBondContact O-CA 3.49Å; H518-A521 WeakPolarHBondContact O-CB 3.35Å; H518-A521 PolarHBondContact O-N 3.48Å
519	L	88.8	Confident	90.8	Very high	51 Å²	51	33.2 Å²	33.2	27%	0.267	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-68.5	-32.7	176.9	-62.6	-179.7	0	0	0	112.1	V37 V41 R516 C517 A521	V37-L519 HydrophobicContact CG1-CD1 4.45Å; V41-L519 HydrophobicContact CG2-CD2 3.92Å; R516-L519 HydrophobicContact CB-CD1 3.69Å; R516-L519 HydrophobicContact CB-CG 4Å; R516-L519 HydrophobicContact CG-CD1 4.18Å; R516-L519 WeakPolarHBondContact O-CB 3.45Å; R516-L519 PolarHBondContact O-N 3.17Å; C517-L519 PolarHBondContact O-N 2.93Å; L519-A521 PolarHBondContact O-N 3.22Å
520	H	87.1	Confident	90.5	Very high	16 Å²	16	33.7 Å²	33.7	7%	0.074	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-73.5	-12	172	-47	-65.7	0	0	0	112.2	C517 H518 R522 C523 S526 C527 C543	C517-H520 PolarHBondContact O-N 3.17Å; H518-H520 VanDerWaalsContact C-N 3.34Å; H520-R522 PolarHBondContact O-N 3.25Å; H520-C523 WeakPolarHBondContact O-CA 3.35Å; H520-C523 WeakPolarHBondContact O-CB 3.37Å; H520-C523 PolarHBondContact O-N 3.39Å; H520-S526 PolarHBondContact ND1-OG 2.89Å; H520-C527 HydrophobicContact CB-CB 4.12Å; H520-C543 HydrophobicContact CB-CB 3.87Å
521	A	80.6	Confident	90.4	Very high	39 Å²	39	35.5 Å²	35.5	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.6	-103.8	170.7	0	0	0	0	0	114.7	H518 L519 T542 C543 I573	H518-A521 WeakPolarHBondContact O-CA 3.49Å; H518-A521 WeakPolarHBondContact O-CB 3.35Å; H518-A521 PolarHBondContact O-N 3.48Å; L519-A521 PolarHBondContact O-N 3.22Å; A521-T542 CarbonylContact O-C 3.6Å; A521-T542 VanDerWaalsContact O-CA 3.27Å; A521-T542 WeakPolarHBondContact O-CA 3.47Å; A521-C543 PolarHBondContact O-N 2.8Å; A521-I573 HydrophobicContact CB-CD1 4.16Å
522	R	83.9	Confident	90.4	Very high	210 Å²	210	35.1 Å²	35.1	79%	0.792	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	9.1	-180	-64.8	-174	176.8	180	-0.2	113.9	H520 M524 W537 T542	H520-R522 PolarHBondContact O-N 3.25Å; R522-M524 PolarHBondContact O-N 3.44Å; R522-W537 VanDerWaalsContact C-CH2 3.48Å; R522-W537 VanDerWaalsContact O-CH2 3.25Å; R522-W537 WeakPolarHBondContact O-CH2 3.49Å; R522-T542 HydrophobicContact CG-CG2 4.43Å
523	C	88.6	Confident	90.3	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.061	18%	0.18	C	C	.	.			trans	-92.4	96.1	177.6	178.2	0	0	0	0	110.8	H520 K525 S526 C527 C570 I573	H520-C523 WeakPolarHBondContact O-CA 3.35Å; H520-C523 WeakPolarHBondContact O-CB 3.37Å; H520-C523 PolarHBondContact O-N 3.39Å; C523-K525 VanDerWaalsContact C-N 3.28Å; C523-K525 PolarHBondContact O-N 2.85Å; C523-S526 PolarHBondContact O-N 3.02Å; C523-S526 WeakPolarHBondContact SG-CB 3.34Å; C523-S526 PolarHBondContact SG-N 3.03Å; C523-C527 WeakPolarHBondContact O-CB 3.39Å; C523-C527 PolarHBondContact O-N 3.03Å; C523-C570 VanDerWaalsContact CA-SG 3.53Å; C523-C570 HydrophobicContact CB-CB 3.7Å; C523-C570 WeakPolarHBondContact CB-SG 3.22Å; C523-C570 WeakPolarHBondContact SG-CB 3.46Å; C523-C570 CovalentContact SG-SG 2.02Å; C523-C570 PolarHBondContact SG-SG 3.04Å; C523-I573 HydrophobicContact CB-CD1 4.03Å
524	M	88.3	Confident	90.3	Very high	42 Å²	42	33.6 Å²	33.6	21%	0.207	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-40.7	177.5	-173	175.1	174	0	0	112.1	R522 C527 L528 W537 L567	R522-M524 PolarHBondContact O-N 3.44Å; M524-C527 WeakPolarHBondContact O-CB 3.45Å; M524-C527 PolarHBondContact O-N 2.9Å; M524-L528 HydrophobicContact CE-CD1 3.98Å; M524-L528 HydrophobicContact CG-CD1 4.26Å; M524-L528 WeakPolarHBondContact O-CG 3.49Å; M524-L528 PolarHBondContact O-N 3.21Å; M524-W537 HydrophobicContact CB-CD2 3.79Å; M524-W537 HydrophobicContact CB-CE3 4.02Å; M524-W537 HydrophobicContact CB-CG 4.35Å; M524-W537 HydrophobicContact CB-CH2 4.05Å; M524-W537 HydrophobicContact CB-CZ2 3.82Å; M524-W537 HydrophobicContact CB-CZ3 4.14Å; M524-W537 HydrophobicContact CE-CG 4.46Å; M524-W537 HydrophobicContact CG-CB 4.38Å; M524-W537 HydrophobicContact CG-CD2 3.7Å; M524-W537 HydrophobicContact CG-CE3 4.31Å; M524-W537 HydrophobicContact CG-CG 3.71Å; M524-W537 HydrophobicContact CG-CZ2 4.37Å; M524-W537 HydrophobicContact SD-CD2 4.44Å; M524-W537 HydrophobicContact SD-CG 4.24Å; M524-W537 PolarHBondContact SD-NE1 3.39Å; M524-L567 HydrophobicContact CB-CD1 4.39Å; M524-L567 HydrophobicContact CE-CD1 4.29Å; M524-L567 HydrophobicContact CE-CD2 4.27Å; M524-L567 HydrophobicContact CG-CD1 3.86Å; M524-L567 HydrophobicContact SD-CD1 4.24Å; M524-L567 HydrophobicContact SD-CD2 3.98Å
525	K	88.4	Confident	90.3	Very high	48 Å²	48	33.7 Å²	33.7	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-50.8	179.5	-166.3	173.5	-170.1	165.4	0	111.9	C523 L528 A529 T564 L567 G568 D569	C523-K525 VanDerWaalsContact C-N 3.28Å; C523-K525 PolarHBondContact O-N 2.85Å; K525-L528 PolarHBondContact O-N 3.42Å; K525-A529 WeakPolarHBondContact O-CB 3.49Å; K525-A529 PolarHBondContact O-N 3.22Å; K525-T564 WeakPolarHBondContact CE-O 3.29Å; K525-T564 HydrophobicContact CG-CG2 4.43Å; K525-L567 HydrophobicContact CB-CB 4.08Å; K525-L567 HydrophobicContact CB-CD1 4.44Å; K525-L567 HydrophobicContact CD-CB 4.37Å; K525-L567 WeakPolarHBondContact CD-O 3.37Å; K525-L567 WeakPolarHBondContact CE-O 3.36Å; K525-L567 HydrophobicContact CG-CB 4.19Å; K525-L567 PolarHBondContact NZ-O 2.04Å; K525-G568 WeakPolarHBondContact CD-O 3.3Å; K525-D569 WeakPolarHBondContact CE-OD1 3.28Å; K525-D569 VanDerWaalsContact NZ-CG 3.29Å; K525-D569 IonicContact NZ-OD1 2.78Å; K525-D569 PolarHBondContact NZ-OD1 3.4Å; K525-D569 IonicContact NZ-OD2 3.16Å; K525-D569 PolarHBondContact NZ-OD2 3.32Å
526	S	88.7	Confident	90.2	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	17%	0.169	S	C	.	.	H	α-helix	trans	-66.6	-37.9	177	-173.3	0	0	0	0	112.2	H520 C523 L528 A529 S530	H520-S526 PolarHBondContact ND1-OG 2.89Å; C523-S526 PolarHBondContact O-N 3.02Å; C523-S526 WeakPolarHBondContact SG-CB 3.34Å; C523-S526 PolarHBondContact SG-N 3.03Å; S526-L528 PolarHBondContact O-N 3.1Å; S526-A529 PolarHBondContact O-N 3.24Å; S526-S530 PolarHBondContact O-N 2.92Å
527	C	91	Very high	90.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.1	-171.8	0	0	0	0	112.2	H520 C523 M524 S530 G536 W537 C543	H520-C527 HydrophobicContact CB-CB 4.12Å; C523-C527 WeakPolarHBondContact O-CB 3.39Å; C523-C527 PolarHBondContact O-N 3.03Å; M524-C527 WeakPolarHBondContact O-CB 3.45Å; M524-C527 PolarHBondContact O-N 2.9Å; C527-S530 PolarHBondContact O-OG 2.98Å; C527-G536 VanDerWaalsContact SG-C 3.6Å; C527-W537 HydrophobicContact CB-CE3 4.1Å; C527-C543 HydrophobicContact CB-CB 3.58Å; C527-C543 WeakPolarHBondContact CB-SG 3.49Å; C527-C543 VanDerWaalsContact SG-CA 3.52Å; C527-C543 WeakPolarHBondContact SG-CB 3.13Å; C527-C543 CovalentContact SG-SG 2.03Å; C527-C543 PolarHBondContact SG-SG 3.31Å
528	L	90.3	Very high	90.2	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-76.4	-38	177.6	-61.2	179.2	0	0	0	112.2	M524 K525 S526 S530 R531 Q555 T564 L567	M524-L528 HydrophobicContact CE-CD1 3.98Å; M524-L528 HydrophobicContact CG-CD1 4.26Å; M524-L528 WeakPolarHBondContact O-CG 3.49Å; M524-L528 PolarHBondContact O-N 3.21Å; K525-L528 PolarHBondContact O-N 3.42Å; S526-L528 PolarHBondContact O-N 3.1Å; L528-S530 PolarHBondContact O-N 3.02Å; L528-R531 PolarHBondContact O-N 2.91Å; L528-R531 VanDerWaalsContact O-N 3.16Å; L528-Q555 HydrophobicContact CD1-CG 4.42Å; L528-Q555 HydrophobicContact CD2-CG 4.22Å; L528-Q555 WeakPolarHBondContact CD2-O 3.41Å; L528-T564 HydrophobicContact CB-CG2 4.08Å; L528-L567 HydrophobicContact CD1-CD1 3.94Å
529	A	89.6	Confident	89.8	Confident	43 Å²	43	40.3 Å²	40.3	36%	0.355	19%	0.192	S	C	.	.	H	α-helix	trans	-62	-24.9	175.6	0	0	0	0	0	113.5	K525 S526 R531 T564	K525-A529 WeakPolarHBondContact O-CB 3.49Å; K525-A529 PolarHBondContact O-N 3.22Å; S526-A529 PolarHBondContact O-N 3.24Å; A529-R531 PolarHBondContact O-N 3.19Å; A529-T564 HydrophobicContact CB-CG2 3.95Å
530	S	90.5	Very high	89.3	Confident	10 Å²	10	40.6 Å²	40.6	7%	0.07	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.2	175.1	76.4	0	0	0	0	113.3	S526 C527 L528 D532	S526-S530 PolarHBondContact O-N 2.92Å; C527-S530 PolarHBondContact O-OG 2.98Å; L528-S530 PolarHBondContact O-N 3.02Å; S530-D532 PolarHBondContact O-N 3Å; S530-D532 PolarHBondContact OG-N 3.08Å
531	R	93	Very high	89.2	Confident	41 Å²	41	43.3 Å²	43.3	16%	0.155	23%	0.228	C	C	.	.			trans	51.5	16.4	-173.3	-61	-178.5	56.4	166.9	-5	114.7	L34 I455 L468 L528 A529 P533 V558 E559 Y560	L34-R531 HydrophobicContact CD1-CB 4.11Å; L34-R531 HydrophobicContact CD1-CG 4.14Å; I455-R531 VanDerWaalsContact CD1-NH2 3.29Å; L468-R531 HydrophobicContact CD2-CB 4.05Å; L528-R531 PolarHBondContact O-N 2.91Å; L528-R531 VanDerWaalsContact O-N 3.16Å; A529-R531 PolarHBondContact O-N 3.19Å; R531-P533 WeakPolarHBondContact O-CD 3.28Å; R531-V558 PolarHBondContact NE-O 3.05Å; R531-V558 PolarHBondContact NH2-O 2.86Å; R531-E559 PolarHBondContact NH2-O 3.43Å; R531-Y560 PolarHBondContact NH1-O 3.08Å
532	D	94.8	Very high	89.7	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.048	23%	0.227	C	C	.	.			trans	-75.6	118.2	-173	-174.4	0.8	0	0	0	111.2	K451 S515 S530 Y534 C535	K451-D532 WeakPolarHBondContact CE-OD1 3.48Å; K451-D532 IonicContact NZ-OD1 2.76Å; K451-D532 PolarHBondContact NZ-OD1 3.49Å; K451-D532 IonicContact NZ-OD2 3.61Å; K451-D532 PolarHBondContact NZ-OD2 3.45Å; S515-D532 WeakPolarHBondContact CB-OD2 3.42Å; S515-D532 PolarHBondContact OG-OD2 3.26Å; S530-D532 PolarHBondContact O-N 3Å; S530-D532 PolarHBondContact OG-N 3.08Å; D532-Y534 PolarHBondContact O-N 2.84Å; D532-Y534 VanDerWaalsContact OD1-CD2 3.27Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.44Å; D532-Y534 PolarHBondContact OD1-N 3.14Å; D532-C535 HydrophobicContact CB-CB 4.17Å; D532-C535 PolarHBondContact O-N 3.1Å
533	P	94.4	Very high	90.2	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.6	-179.4	-27.4	36.3	0	0	0	115	A431 G432 P433 R437 V439 L453 R531 C535 V558	A431-P533 HydrophobicContact CB-CB 4.24Å; G432-P533 WeakPolarHBondContact CA-O 3.3Å; P433-P533 WeakPolarHBondContact CD-O 3.31Å; R437-P533 HydrophobicContact CB-CB 3.98Å; R437-P533 HydrophobicContact CB-CG 3.97Å; R437-P533 HydrophobicContact CG-CB 4.09Å; R437-P533 HydrophobicContact CG-CG 4.24Å; V439-P533 HydrophobicContact CG2-CB 4.38Å; V439-P533 HydrophobicContact CG2-CG 3.76Å; L453-P533 HydrophobicContact CD1-CG 3.72Å; R531-P533 WeakPolarHBondContact O-CD 3.28Å; P533-C535 VanDerWaalsContact C-N 3.35Å; P533-V558 HydrophobicContact CG-CG1 4.01Å
534	Y	95	Very high	90.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.016	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.1	177.5	-53.2	-74	0	0	0	113.6	D428 A431 V439 F441 D532 F545 L546	D428-Y534 WeakPolarHBondContact CB-OH 3.24Å; D428-Y534 VanDerWaalsContact CG-OH 3.3Å; D428-Y534 WeakPolarHBondContact OD2-CE1 3.45Å; D428-Y534 PolarHBondContact OD2-OH 3.47Å; A431-Y534 HydrophobicContact CB-CE1 3.84Å; A431-Y534 HydrophobicContact CB-CE2 4.47Å; V439-Y534 HydrophobicContact CB-CE2 4.4Å; V439-Y534 HydrophobicContact CG1-CE2 4.24Å; V439-Y534 HydrophobicContact CG2-CE2 4.18Å; F441-Y534 HydrophobicContact CZ-CE2 4.03Å; D532-Y534 PolarHBondContact O-N 2.84Å; D532-Y534 VanDerWaalsContact OD1-CD2 3.27Å; D532-Y534 WeakPolarHBondContact OD1-CD2 3.44Å; D532-Y534 PolarHBondContact OD1-N 3.14Å; Y534-F545 HydrophobicContact CD1-CE2 4.18Å; Y534-F545 HydrophobicContact CD1-CZ 4.02Å; Y534-F545 HydrophobicContact CG-CE2 4.06Å; Y534-F545 HydrophobicContact CG-CZ 4.37Å; Y534-F545 CarbonylContact O-C 3.47Å; Y534-F545 WeakPolarHBondContact O-CA 3.48Å; Y534-L546 PolarHBondContact O-N 2.83Å
535	C	94.1	Very high	90.6	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.2	-178	-61.8	0	0	0	0	112.9	S515 C517 D532 P533	S515-C535 PolarHBondContact OG-SG 3.19Å; C517-C535 WeakPolarHBondContact CA-SG 3.37Å; C517-C535 HydrophobicContact CB-CB 3.9Å; C517-C535 WeakPolarHBondContact CB-SG 3.4Å; C517-C535 WeakPolarHBondContact SG-CA 3.49Å; C517-C535 WeakPolarHBondContact SG-CB 3.35Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 3.17Å; D532-C535 HydrophobicContact CB-CB 4.17Å; D532-C535 PolarHBondContact O-N 3.1Å; P533-C535 VanDerWaalsContact C-N 3.35Å
536	G	93.2	Very high	90.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	159.7	162.4	0	0	0	0	0	112.7	C527 S544 Q555	C527-G536 VanDerWaalsContact SG-C 3.6Å; G536-S544 PolarHBondContact N-O 2.78Å; G536-S544 VanDerWaalsContact N-O 3.12Å; G536-S544 PolarHBondContact O-N 3.26Å; G536-Q555 CarbonylContact C-O 3.54Å; G536-Q555 WeakPolarHBondContact CA-O 3.37Å
537	W	92.1	Very high	90.6	Very high	33 Å²	33	40.7 Å²	40.7	13%	0.125	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.7	176.3	-174	-108.1	0	0	0	110	R522 M524 C527 S541 T542 C543 F554 Q555	R522-W537 VanDerWaalsContact C-CH2 3.48Å; R522-W537 VanDerWaalsContact O-CH2 3.25Å; R522-W537 WeakPolarHBondContact O-CH2 3.49Å; M524-W537 HydrophobicContact CB-CD2 3.79Å; M524-W537 HydrophobicContact CB-CE3 4.02Å; M524-W537 HydrophobicContact CB-CG 4.35Å; M524-W537 HydrophobicContact CB-CH2 4.05Å; M524-W537 HydrophobicContact CB-CZ2 3.82Å; M524-W537 HydrophobicContact CB-CZ3 4.14Å; M524-W537 HydrophobicContact CE-CG 4.46Å; M524-W537 HydrophobicContact CG-CB 4.38Å; M524-W537 HydrophobicContact CG-CD2 3.7Å; M524-W537 HydrophobicContact CG-CE3 4.31Å; M524-W537 HydrophobicContact CG-CG 3.71Å; M524-W537 HydrophobicContact CG-CZ2 4.37Å; M524-W537 HydrophobicContact SD-CD2 4.44Å; M524-W537 HydrophobicContact SD-CG 4.24Å; M524-W537 PolarHBondContact SD-NE1 3.39Å; C527-W537 HydrophobicContact CB-CE3 4.1Å; W537-S541 WeakPolarHBondContact CH2-O 3.35Å; W537-S541 VanDerWaalsContact CZ2-CA 3.43Å; W537-T542 VanDerWaalsContact CE3-C 3.46Å; W537-C543 HydrophobicContact CE3-CB 4.26Å; W537-F554 CarbonylContact O-C 3.52Å; W537-F554 WeakPolarHBondContact O-CA 3.29Å; W537-Q555 HydrophobicContact CB-CB 4.48Å; W537-Q555 PolarHBondContact N-O 2.87Å; W537-Q555 PolarHBondContact O-N 2.97Å
538	T	91	Very high	90.4	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	162.9	-176	71	0	0	0	0	112.2	G540 S541 T542 L546	T538-G540 PolarHBondContact O-N 3.31Å; T538-G540 PolarHBondContact OG1-N 3.02Å; T538-S541 PolarHBondContact O-N 3.32Å; T538-T542 PolarHBondContact N-O 3.01Å; T538-T542 PolarHBondContact OG1-O 3.23Å; T538-T542 VanDerWaalsContact OG1-O 3.09Å; T538-T542 PolarHBondContact OG1-OG1 2.85Å; T538-L546 HydrophobicContact CG2-CD2 4.49Å
539	R	81.9	Confident	90	Very high	214 Å²	214	45.4 Å²	45.4	81%	0.808	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-10.5	172.7	-74	-169.5	179	-178.6	-0	115.1	S541 P553	R539-S541 PolarHBondContact O-N 3.13Å; R539-P553 HydrophobicContact CG-CG 4.07Å
540	G	78.6	Confident	89.8	Confident	57 Å²	57	45.2 Å²	45.2	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	3.9	170.6	0	0	0	0	0	114.5	T538 T542	T538-G540 PolarHBondContact O-N 3.31Å; T538-G540 PolarHBondContact OG1-N 3.02Å; G540-T542 PolarHBondContact O-N 2.79Å
541	S	85.4	Confident	89.4	Confident	73 Å²	73	56.4 Å²	56.4	51%	0.51	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	41.7	-169.2	-62.4	0	0	0	0	112.3	W537 T538 R539	W537-S541 WeakPolarHBondContact CH2-O 3.35Å; W537-S541 VanDerWaalsContact CZ2-CA 3.43Å; T538-S541 PolarHBondContact O-N 3.32Å; R539-S541 PolarHBondContact O-N 3.13Å
542	T	91.7	Very high	89.1	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144	177.7	55.5	0	0	0	0	112.1	A521 R522 W537 T538 G540	A521-T542 CarbonylContact O-C 3.6Å; A521-T542 VanDerWaalsContact O-CA 3.27Å; A521-T542 WeakPolarHBondContact O-CA 3.47Å; R522-T542 HydrophobicContact CG-CG2 4.43Å; W537-T542 VanDerWaalsContact CE3-C 3.46Å; T538-T542 PolarHBondContact N-O 3.01Å; T538-T542 PolarHBondContact OG1-O 3.23Å; T538-T542 VanDerWaalsContact OG1-O 3.09Å; T538-T542 PolarHBondContact OG1-OG1 2.85Å; G540-T542 PolarHBondContact O-N 2.79Å
543	C	92.9	Very high	88.8	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.5	165.9	-158.7	0	0	0	0	109.3	C517 H520 A521 C527 W537	C517-C543 WeakPolarHBondContact O-CB 3.29Å; H520-C543 HydrophobicContact CB-CB 3.87Å; A521-C543 PolarHBondContact O-N 2.8Å; C527-C543 HydrophobicContact CB-CB 3.58Å; C527-C543 WeakPolarHBondContact CB-SG 3.49Å; C527-C543 VanDerWaalsContact SG-CA 3.52Å; C527-C543 WeakPolarHBondContact SG-CB 3.13Å; C527-C543 CovalentContact SG-SG 2.03Å; C527-C543 PolarHBondContact SG-SG 3.31Å; W537-C543 HydrophobicContact CE3-CB 4.26Å
544	S	92.5	Very high	88.6	Confident	39 Å²	39	64.6 Å²	64.6	27%	0.273	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.1	-174.6	-63.9	0	0	0	0	111.7	G536 L546	G536-S544 PolarHBondContact N-O 2.78Å; G536-S544 VanDerWaalsContact N-O 3.12Å; G536-S544 PolarHBondContact O-N 3.26Å; S544-L546 PolarHBondContact O-N 2.8Å
545	F	93	Very high	88.4	Confident	68 Å²	68	68.2 Å²	68.2	30%	0.298	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124.2	170.5	-175	-80.4	0	0	0	109.8	H499 Y534 R547	H499-F545 HydrophobicContact CB-CE1 4.29Å; H499-F545 HydrophobicContact CB-CE2 4.11Å; H499-F545 HydrophobicContact CB-CZ 3.51Å; H499-F545 AromaticContact CD2-CE1 3.49Å; H499-F545 VanDerWaalsContact CD2-CE1 3.49Å; H499-F545 WeakPolarHBondContact CD2-CE1 3.46Å; H499-F545 AromaticContact CD2-CZ 3.57Å; H499-F545 AromaticContact CG-CE1 3.89Å; H499-F545 AromaticContact CG-CZ 3.44Å; H499-F545 VanDerWaalsContact CG-CZ 3.44Å; H499-F545 AromaticContact NE2-CE1 3.92Å; Y534-F545 HydrophobicContact CD1-CE2 4.18Å; Y534-F545 HydrophobicContact CD1-CZ 4.02Å; Y534-F545 HydrophobicContact CG-CE2 4.06Å; Y534-F545 HydrophobicContact CG-CZ 4.37Å; Y534-F545 CarbonylContact O-C 3.47Å; Y534-F545 WeakPolarHBondContact O-CA 3.48Å; F545-R547 HydrophobicContact CD1-CG 4.1Å; F545-R547 HydrophobicContact CE1-CG 4Å
546	L	91.4	Very high	88.3	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-96.6	119.2	179.1	-52.5	-177.7	0	0	0	110.3	P433 Y534 T538 S544 T550 F554	P433-L546 HydrophobicContact CG-CB 3.79Å; P433-L546 HydrophobicContact CG-CD1 3.5Å; P433-L546 HydrophobicContact CG-CG 4.32Å; Y534-L546 PolarHBondContact O-N 2.83Å; T538-L546 HydrophobicContact CG2-CD2 4.49Å; S544-L546 PolarHBondContact O-N 2.8Å; L546-T550 HydrophobicContact CD2-CG2 4.41Å; L546-F554 HydrophobicContact CD1-CB 4.11Å; L546-F554 HydrophobicContact CD1-CD1 3.91Å; L546-F554 HydrophobicContact CD1-CD2 3.54Å; L546-F554 HydrophobicContact CD1-CE1 4.26Å; L546-F554 HydrophobicContact CD1-CE2 3.92Å; L546-F554 HydrophobicContact CD1-CG 3.56Å; L546-F554 HydrophobicContact CD1-CZ 4.28Å; L546-F554 HydrophobicContact CD2-CB 3.99Å; L546-F554 HydrophobicContact CD2-CD1 4.12Å; L546-F554 HydrophobicContact CD2-CG 4.07Å; L546-F554 HydrophobicContact CG-CG 4.49Å
547	R	86.8	Confident	88	Confident	175 Å²	175	71.3 Å²	71.3	66%	0.66	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-80.8	152.7	173.9	-68.3	177.2	179.6	150.8	0.7	110.6	F545 G549 T550	F545-R547 HydrophobicContact CD1-CG 4.1Å; F545-R547 HydrophobicContact CE1-CG 4Å; R547-G549 PolarHBondContact O-N 2.92Å; R547-T550 PolarHBondContact N-OG1 3.15Å; R547-T550 VanDerWaalsContact N-OG1 3.1Å; R547-T550 WeakPolarHBondContact O-CB 3.41Å; R547-T550 PolarHBondContact O-N 2.95Å; R547-T550 VanDerWaalsContact O-N 3.08Å; R547-T550 PolarHBondContact O-OG1 3.06Å
548	P	85.8	Confident	87.9	Confident	47 Å²	47	70.1 Å²	70.1	31%	0.305	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	132.4	168.9	-27.8	36	0	0	0	111.6	K435	K435-P548 HydrophobicContact CD-CB 4.31Å; K435-P548 HydrophobicContact CG-CB 3.94Å; K435-P548 HydrophobicContact CG-CG 4.42Å
549	G	82.9	Confident	87.5	Confident	58 Å²	58	73.3 Å²	73.3	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	16.6	-177.8	0	0	0	0	0	115.7	P433 R547 R551	P433-G549 PolarHBondContact O-N 2.74Å; R547-G549 PolarHBondContact O-N 2.92Å; G549-R551 PolarHBondContact O-N 2.9Å
550	T	84.9	Confident	87.4	Confident	39 Å²	39	71.3 Å²	71.3	24%	0.239	37%	0.371	C	S	.	.			trans	-55.3	118	173.7	-68.8	0	0	0	0	111	L546 R547 I552 F554	L546-T550 HydrophobicContact CD2-CG2 4.41Å; R547-T550 PolarHBondContact N-OG1 3.15Å; R547-T550 VanDerWaalsContact N-OG1 3.1Å; R547-T550 WeakPolarHBondContact O-CB 3.41Å; R547-T550 PolarHBondContact O-N 2.95Å; R547-T550 VanDerWaalsContact O-N 3.08Å; R547-T550 PolarHBondContact O-OG1 3.06Å; T550-I552 HydrophobicContact CG2-CB 4.02Å; T550-I552 HydrophobicContact CG2-CG1 4.47Å; T550-F554 HydrophobicContact CG2-CD1 4.03Å; T550-F554 HydrophobicContact CG2-CE1 4.28Å
551	R	82.8	Confident	87.2	Confident	245 Å²	245	69 Å²	69	93%	0.925	35%	0.348	S	S	*	.			trans	-93.8	-5.8	178.3	-58.3	-173.4	-176.9	-170.1	0.3	114.3	G549	G549-R551 PolarHBondContact O-N 2.9Å
552	I	85.1	Confident	86.4	Confident	108 Å²	108	71.1 Å²	71.1	55%	0.554	35%	0.353	S	S	*	.	S	Bend	trans	-71.5	134.5	176.3	-58.6	174.1	0	0	0	107.8	T550 F554	T550-I552 HydrophobicContact CG2-CB 4.02Å; T550-I552 HydrophobicContact CG2-CG1 4.47Å; I552-F554 VanDerWaalsContact O-CD1 3.23Å; I552-F554 WeakPolarHBondContact O-CD1 3.49Å; I552-F554 PolarHBondContact O-N 2.85Å
553	P	89	Confident	84.9	Confident	67 Å²	67	71 Å²	71	44%	0.435	35%	0.352	S	S	.	.			trans	-63.5	119.8	174.3	25.1	-33.7	0	0	0	110.9	R539	R539-P553 HydrophobicContact CG-CG 4.07Å
554	F	91.5	Very high	83.4	Confident	49 Å²	49	72 Å²	72	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	163	175.8	60.2	-99.5	0	0	0	110.7	P433 H434 W537 L546 T550 I552 Q556	P433-F554 HydrophobicContact CB-CE1 3.91Å; P433-F554 HydrophobicContact CB-CE2 4.45Å; P433-F554 HydrophobicContact CB-CZ 3.59Å; P433-F554 HydrophobicContact CG-CE1 4Å; P433-F554 HydrophobicContact CG-CE2 3.93Å; P433-F554 HydrophobicContact CG-CZ 3.52Å; H434-F554 AromaticContact NE2-CZ 3.82Å; W537-F554 CarbonylContact O-C 3.52Å; W537-F554 WeakPolarHBondContact O-CA 3.29Å; L546-F554 HydrophobicContact CD1-CB 4.11Å; L546-F554 HydrophobicContact CD1-CD1 3.91Å; L546-F554 HydrophobicContact CD1-CD2 3.54Å; L546-F554 HydrophobicContact CD1-CE1 4.26Å; L546-F554 HydrophobicContact CD1-CE2 3.92Å; L546-F554 HydrophobicContact CD1-CG 3.56Å; L546-F554 HydrophobicContact CD1-CZ 4.28Å; L546-F554 HydrophobicContact CD2-CB 3.99Å; L546-F554 HydrophobicContact CD2-CD1 4.12Å; L546-F554 HydrophobicContact CD2-CG 4.07Å; L546-F554 HydrophobicContact CG-CG 4.49Å; T550-F554 HydrophobicContact CG2-CD1 4.03Å; T550-F554 HydrophobicContact CG2-CE1 4.28Å; I552-F554 VanDerWaalsContact O-CD1 3.23Å; I552-F554 WeakPolarHBondContact O-CD1 3.49Å; I552-F554 PolarHBondContact O-N 2.85Å; F554-Q556 HydrophobicContact CD2-CB 4.5Å; F554-Q556 HydrophobicContact CD2-CG 4.2Å; F554-Q556 HydrophobicContact CE2-CG 3.98Å
555	Q	90.1	Very high	82	Confident	79 Å²	79	74.7 Å²	74.7	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.8	169.5	-174.8	174.4	-7.1	0	0	109.3	L528 G536 W537	L528-Q555 HydrophobicContact CD1-CG 4.42Å; L528-Q555 HydrophobicContact CD2-CG 4.22Å; L528-Q555 WeakPolarHBondContact CD2-O 3.41Å; G536-Q555 CarbonylContact C-O 3.54Å; G536-Q555 WeakPolarHBondContact CA-O 3.37Å; W537-Q555 HydrophobicContact CB-CB 4.48Å; W537-Q555 PolarHBondContact N-O 2.87Å; W537-Q555 PolarHBondContact O-N 2.97Å
556	Q	91	Very high	80.8	Confident	48 Å²	48	77.6 Å²	77.6	22%	0.224	39%	0.391	C	S	.	.			trans	-147.1	147.1	177.5	68.4	-176.2	17.3	0	0	108.9	F554 V558	F554-Q556 HydrophobicContact CD2-CB 4.5Å; F554-Q556 HydrophobicContact CD2-CG 4.2Å; F554-Q556 HydrophobicContact CE2-CG 3.98Å; Q556-V558 HydrophobicContact CG-CG2 4.44Å
557	D	88.6	Confident	80.2	Confident	21 Å²	21	79 Å²	79	11%	0.112	40%	0.398	C	S	.	.			trans	-135.3	88.8	174.4	178.5	-2.4	0	0	0	108.2	Y560 G561 N562 T563	D557-Y560 PolarHBondContact OD1-N 3.41Å; D557-Y560 VanDerWaalsContact OD1-N 3.1Å; D557-G561 PolarHBondContact OD1-N 2.85Å; D557-G561 VanDerWaalsContact OD2-C 3.26Å; D557-G561 WeakPolarHBondContact OD2-CA 3.47Å; D557-G561 PolarHBondContact OD2-N 3.02Å; D557-N562 PolarHBondContact OD2-N 2.84Å; D557-T563 HydrophobicContact CB-CG2 4.3Å; D557-T563 WeakPolarHBondContact CB-OG1 3.46Å; D557-T563 WeakPolarHBondContact OD2-CB 3.34Å; D557-T563 WeakPolarHBondContact OD2-CG2 3.44Å; D557-T563 PolarHBondContact OD2-N 2.83Å; D557-T563 PolarHBondContact OD2-OG1 3.17Å
558	V	89.2	Confident	79.4	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.048	40%	0.397	C	S	.	.			trans	-88	-29.5	-174	171.9	0	0	0	0	111.1	R437 L453 R531 P533 Q556	R437-V558 HydrophobicContact CG-CG1 4.41Å; L453-V558 HydrophobicContact CD1-CG1 4.08Å; L453-V558 HydrophobicContact CD2-CG1 3.54Å; L453-V558 WeakPolarHBondContact CD2-O 3.2Å; L453-V558 HydrophobicContact CG-CG1 4.47Å; R531-V558 PolarHBondContact NE-O 3.05Å; R531-V558 PolarHBondContact NH2-O 2.86Å; P533-V558 HydrophobicContact CG-CG1 4.01Å; Q556-V558 HydrophobicContact CG-CG2 4.44Å
559	E	83.1	Confident	78.9	Confident	87 Å²	87	77.3 Å²	77.3	41%	0.407	42%	0.415	S	S	.	.	S	Bend	trans	-86.3	-31.4	-169.5	-69.2	175	164.5	0	0	113.3	R437 R531	R437-E559 IonicContact CZ-OE1 2.96Å; R437-E559 IonicContact NH1-OE1 3.68Å; R437-E559 PolarHBondContact NH1-OE1 2.86Å; R437-E559 IonicContact NH2-OE1 2.71Å; R437-E559 PolarHBondContact NH2-OE1 3.47Å; R531-E559 PolarHBondContact NH2-O 3.43Å
560	Y	79.7	Confident	78.4	Confident	172 Å²	172	76.9 Å²	76.9	68%	0.675	40%	0.402	S	S	*	.			trans	-128.8	-39.1	-176.6	-56.7	-78.8	0	0	0	113	R531 D557 N562	R531-Y560 PolarHBondContact NH1-O 3.08Å; D557-Y560 PolarHBondContact OD1-N 3.41Å; D557-Y560 VanDerWaalsContact OD1-N 3.1Å; Y560-N562 PolarHBondContact O-N 2.91Å
561	G	74.8	Confident	76.8	Confident	10 Å²	10	82.9 Å²	82.9	10%	0.103	43%	0.433	C	S	.	.			trans	69.6	10.1	-170.4	0	0	0	0	0	114	D557 T563 T564	D557-G561 PolarHBondContact OD1-N 2.85Å; D557-G561 VanDerWaalsContact OD2-C 3.26Å; D557-G561 WeakPolarHBondContact OD2-CA 3.47Å; D557-G561 PolarHBondContact OD2-N 3.02Å; G561-T563 VanDerWaalsContact C-N 3.33Å; G561-T563 PolarHBondContact O-N 3.35Å; G561-T564 WeakPolarHBondContact O-CG2 3.44Å; G561-T564 PolarHBondContact O-OG1 3.06Å
562	N	67.1	Low	75.3	Confident	116 Å²	116	75.2 Å²	75.2	62%	0.62	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-78.5	-17.2	-171	-166.6	10.5	0	0	0	112.8	D557 Y560 T564 S565	D557-N562 PolarHBondContact OD2-N 2.84Å; Y560-N562 PolarHBondContact O-N 2.91Å; N562-T564 PolarHBondContact O-N 3.25Å; N562-S565 PolarHBondContact O-N 3.49Å; N562-S565 PolarHBondContact O-OG 2.84Å
563	T	60.8	Low	73.4	Confident	45 Å²	45	74 Å²	74	28%	0.276	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-65.4	6.9	174.1	51.3	0	0	0	0	114.9	D557 G561 H566	D557-T563 HydrophobicContact CB-CG2 4.3Å; D557-T563 WeakPolarHBondContact CB-OG1 3.46Å; D557-T563 WeakPolarHBondContact OD2-CB 3.34Å; D557-T563 WeakPolarHBondContact OD2-CG2 3.44Å; D557-T563 PolarHBondContact OD2-N 2.83Å; D557-T563 PolarHBondContact OD2-OG1 3.17Å; G561-T563 VanDerWaalsContact C-N 3.33Å; G561-T563 PolarHBondContact O-N 3.35Å; T563-H566 PolarHBondContact O-CE1 2.84Å; T563-H566 PolarHBondContact O-ND1 2.81Å
564	T	61.9	Low	71.2	Confident	29 Å²	29	77.7 Å²	77.7	18%	0.178	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-92.9	-17.3	-179.3	53.3	0	0	0	0	114.1	K525 L528 A529 G561 N562 H566 L567	K525-T564 WeakPolarHBondContact CE-O 3.29Å; K525-T564 HydrophobicContact CG-CG2 4.43Å; L528-T564 HydrophobicContact CB-CG2 4.08Å; A529-T564 HydrophobicContact CB-CG2 3.95Å; G561-T564 WeakPolarHBondContact O-CG2 3.44Å; G561-T564 PolarHBondContact O-OG1 3.06Å; N562-T564 PolarHBondContact O-N 3.25Å; T564-H566 VanDerWaalsContact C-N 3.34Å; T564-H566 PolarHBondContact O-N 3.17Å; T564-L567 PolarHBondContact O-N 3.37Å
565	S	62.7	Low	68.6	Low	94 Å²	94	83.5 Å²	83.5	66%	0.657	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.3	-174	49.1	0	0	0	0	115.2	N562	N562-S565 PolarHBondContact O-N 3.49Å; N562-S565 PolarHBondContact O-OG 2.84Å
566	H	68.6	Low	66	Low	130 Å²	130	86.6 Å²	86.6	60%	0.602	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	6.1	179.3	65.6	-87.3	0	0	0	113.3	T563 T564	T563-H566 PolarHBondContact O-CE1 2.84Å; T563-H566 PolarHBondContact O-ND1 2.81Å; T564-H566 VanDerWaalsContact C-N 3.34Å; T564-H566 PolarHBondContact O-N 3.17Å
567	L	77.1	Confident	63.3	Low	31 Å²	31	88.9 Å²	88.9	16%	0.162	50%	0.502	C	S	.	.	S	Bend	trans	-99.2	136.7	-179.8	-63.5	178.1	0	0	0	110.8	M524 K525 L528 T564	M524-L567 HydrophobicContact CB-CD1 4.39Å; M524-L567 HydrophobicContact CE-CD1 4.29Å; M524-L567 HydrophobicContact CE-CD2 4.27Å; M524-L567 HydrophobicContact CG-CD1 3.86Å; M524-L567 HydrophobicContact SD-CD1 4.24Å; M524-L567 HydrophobicContact SD-CD2 3.98Å; K525-L567 HydrophobicContact CB-CB 4.08Å; K525-L567 HydrophobicContact CB-CD1 4.44Å; K525-L567 HydrophobicContact CD-CB 4.37Å; K525-L567 WeakPolarHBondContact CD-O 3.37Å; K525-L567 WeakPolarHBondContact CE-O 3.36Å; K525-L567 HydrophobicContact CG-CB 4.19Å; K525-L567 PolarHBondContact NZ-O 2.04Å; L528-L567 HydrophobicContact CD1-CD1 3.94Å; T564-L567 PolarHBondContact O-N 3.37Å
568	G	69.9	Low	60.9	Low	61 Å²	61	94.5 Å²	94.5	63%	0.629	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-60.7	150.7	174.8	0	0	0	0	0	112.4	K525	K525-G568 WeakPolarHBondContact CD-O 3.3Å
569	D	75.9	Confident	58.3	Low	127 Å²	127	101.2 Å²	101.2	68%	0.679	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-71.3	159.5	176.5	-68.7	-64.3	0	0	0	112.4	K525	K525-D569 WeakPolarHBondContact CE-OD1 3.28Å; K525-D569 VanDerWaalsContact NZ-CG 3.29Å; K525-D569 IonicContact NZ-OD1 2.78Å; K525-D569 PolarHBondContact NZ-OD1 3.4Å; K525-D569 IonicContact NZ-OD2 3.16Å; K525-D569 PolarHBondContact NZ-OD2 3.32Å
570	C	72.9	Confident	55.9	Low	49 Å²	49	103.8 Å²	103.8	33%	0.331	58%	0.581	S	S	.	*			trans	-109.2	76.3	-166.4	-65.4	0	0	0	0	111.9	C523 G572	C523-C570 VanDerWaalsContact CA-SG 3.53Å; C523-C570 HydrophobicContact CB-CB 3.7Å; C523-C570 WeakPolarHBondContact CB-SG 3.22Å; C523-C570 WeakPolarHBondContact SG-CB 3.46Å; C523-C570 CovalentContact SG-SG 2.02Å; C523-C570 PolarHBondContact SG-SG 3.04Å; C570-G572 PolarHBondContact O-N 3.1Å
571	D	52	Low	53.7	Low	165 Å²	165	102.8 Å²	102.8	88%	0.882	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	130	172.8	-70	-42.9	0	0	0	111.6
572	G	49.4	Very low	51.8	Low	83 Å²	83	106.6 Å²	106.6	86%	0.856	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.6	-1.4	165.1	0	0	0	0	0	118	C570	C570-G572 PolarHBondContact O-N 3.1Å
573	I	45.2	Very low	50.8	Low	83 Å²	83	110.8 Å²	110.8	43%	0.426	62%	0.622	S	S	.	*	S	Bend	trans	-95.2	110	165.9	-58.4	-177.4	0	0	0	108.3	A521 C523 Q575	A521-I573 HydrophobicContact CB-CD1 4.16Å; C523-I573 HydrophobicContact CB-CD1 4.03Å; I573-Q575 PolarHBondContact O-N 2.96Å
574	L	42.8	Very low	49.8	Very low	144 Å²	144	112.2 Å²	112.2	75%	0.754	63%	0.633	S	S	*	*			trans	-35.1	93.6	-171.8	-94.2	163.7	0	0	0	115.2	Q576	L574-Q576 HydrophobicContact CD2-CB 4.32Å
575	Q	38.9	Very low	48.9	Very low	171 Å²	171	118.6 Å²	118.6	80%	0.799	67%	0.665	S	S	*	*			trans	-115.7	45.9	161.2	-159.6	169.1	-5.1	0	0	110.8	I573 S577	I573-Q575 PolarHBondContact O-N 2.96Å; Q575-S577 VanDerWaalsContact C-N 3.29Å; Q575-S577 VanDerWaalsContact O-CB 3.27Å; Q575-S577 WeakPolarHBondContact O-CB 3.01Å; Q575-S577 PolarHBondContact O-N 3.35Å; Q575-S577 PolarHBondContact O-OG 2.68Å
576	Q	33.6	Very low	48.3	Very low	145 Å²	145	119.5 Å²	119.5	68%	0.678	67%	0.667	S	S	*	*				-60.7	103.1	129.3	-76.5	175.8	-55.4	0	0	104.6	L574 L578	L574-Q576 HydrophobicContact CD2-CB 4.32Å; Q576-L578 PolarHBondContact O-N 2.78Å
577	S	35.3	Very low	47.8	Very low	96 Å²	96	116.2 Å²	116.2	67%	0.671	66%	0.658	S	S	*	*			cis	41.4	30.8	45.3	69.5	0	0	0	0	112.6	Q575 L579	Q575-S577 VanDerWaalsContact C-N 3.29Å; Q575-S577 VanDerWaalsContact O-CB 3.27Å; Q575-S577 WeakPolarHBondContact O-CB 3.01Å; Q575-S577 PolarHBondContact O-N 3.35Å; Q575-S577 PolarHBondContact O-OG 2.68Å; S577-L579 PolarHBondContact O-N 2.76Å
578	L	38.6	Very low	47	Very low	138 Å²	138	120.9 Å²	120.9	72%	0.723	68%	0.683	S	S	*	*			trans	-58.6	83.2	138.9	-78.9	174	0	0	0	107.7	Q576 I580	Q576-L578 PolarHBondContact O-N 2.78Å; L578-I580 HydrophobicContact CB-CG1 4.42Å; L578-I580 PolarHBondContact O-N 2.69Å
579	L	33.3	Very low	46.6	Very low	150 Å²	150	124 Å²	124	79%	0.785	69%	0.685	S	S	*	*			trans	-60.1	80.9	147.3	-80.7	165	0	0	0	106.9	S577 E581	S577-L579 PolarHBondContact O-N 2.76Å; L579-E581 PolarHBondContact O-N 3.3Å
580	I	34.3	Very low	46.1	Very low	140 Å²	140	123.7 Å²	123.7	72%	0.718	68%	0.682	S	S	*	*			trans	-71.3	80.6	147.7	-57.4	177.9	0	0	0	104.3	L578	L578-I580 HydrophobicContact CB-CG1 4.42Å; L578-I580 PolarHBondContact O-N 2.69Å
581	E	32	Very low	46	Very low	152 Å²	152	126.2 Å²	126.2	71%	0.71	69%	0.692	S	S	*	*			trans	-51.3	130.6	154.4	-75.9	-171.8	103.5	0	0	106.6	L579 E583	L579-E581 PolarHBondContact O-N 3.3Å; E581-E583 PolarHBondContact O-N 3.29Å; E581-E583 VanDerWaalsContact O-N 3.07Å
582	P	35.5	Very low	47.1	Very low	89 Å²	89	122 Å²	122	58%	0.578	67%	0.672	S	S	*	*			trans	-63.7	114.4	165.5	27.5	-30.8	0	0	0	106.8	S584	P582-S584 PolarHBondContact O-N 3.01Å
583	E	45.3	Very low	48.4	Very low	205 Å²	205	120.8 Å²	120.8	96%	0.958	65%	0.654	S	S	*	*			trans	-63.8	81.3	170.4	-79.7	-157.2	159.8	0	0	109.8	E581	E581-E583 PolarHBondContact O-N 3.29Å; E581-E583 VanDerWaalsContact O-N 3.07Å
584	S	39.7	Very low	49.9	Very low	74 Å²	74	119.8 Å²	119.8	52%	0.517	66%	0.655	S	S	.	*			trans	-155.6	116.4	175.4	63.4	0	0	0	0	109.6	P582	P582-S584 PolarHBondContact O-N 3.01Å
585	L	44.9	Very low	51.8	Low	164 Å²	164	115.4 Å²	115.4	86%	0.859	64%	0.639	S	S	*	*			trans	68.4	81	163.8	-50.1	171.2	0	0	0	115.5	S587	L585-S587 PolarHBondContact O-N 3.18Å
586	V	49.7	Very low	54.1	Low	113 Å²	113	111.3 Å²	111.3	69%	0.685	63%	0.625	S	S	*	*			trans	-48.3	113.3	142	174.5	0	0	0	0	106.6	L588 L591	V586-L588 PolarHBondContact O-N 3.31Å; V586-L591 HydrophobicContact CG1-CD1 4.47Å
587	S	58.4	Low	56.4	Low	60 Å²	60	107 Å²	107	42%	0.42	61%	0.612	S	S	.	*			trans	-63.9	135.5	-173.6	80.1	0	0	0	0	109.7	L585 N589 L590 L591	L585-S587 PolarHBondContact O-N 3.18Å; S587-N589 PolarHBondContact O-N 2.98Å; S587-N589 VanDerWaalsContact O-N 3.08Å; S587-L590 PolarHBondContact O-N 2.74Å; S587-L590 PolarHBondContact OG-N 2.72Å; S587-L591 PolarHBondContact O-N 2.95Å
588	L	59.3	Low	58.9	Low	129 Å²	129	105.4 Å²	105.4	68%	0.675	60%	0.604	S	S	*	*	H	α-helix	trans	-54.7	-32.9	178.7	-172.4	66.2	0	0	0	110.8	V586 L591 V592	V586-L588 PolarHBondContact O-N 3.31Å; L588-L591 PolarHBondContact O-N 2.9Å; L588-V592 HydrophobicContact CG-CG2 4.39Å; L588-V592 WeakPolarHBondContact O-CB 3Å; L588-V592 VanDerWaalsContact O-CG2 3.26Å; L588-V592 WeakPolarHBondContact O-CG2 3.36Å; L588-V592 PolarHBondContact O-N 3.38Å
589	N	61.9	Low	61.3	Low	128 Å²	128	107.1 Å²	107.1	68%	0.684	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-39.1	175.9	-59.6	-10.1	0	0	0	112.7	S587 A593	S587-N589 PolarHBondContact O-N 2.98Å; S587-N589 VanDerWaalsContact O-N 3.08Å; N589-A593 WeakPolarHBondContact O-CB 2.93Å; N589-A593 PolarHBondContact O-N 3.23Å
590	L	65.7	Low	63.7	Low	119 Å²	119	103.9 Å²	103.9	62%	0.623	59%	0.593	S	S	*	*	H	α-helix	trans	-71.1	-37.5	176.6	-159.3	80.7	0	0	0	111.4	S587 A593 S594	S587-L590 PolarHBondContact O-N 2.74Å; S587-L590 PolarHBondContact OG-N 2.72Å; L590-A593 PolarHBondContact O-N 3.1Å; L590-S594 WeakPolarHBondContact O-CB 3.49Å; L590-S594 PolarHBondContact O-N 2.83Å; L590-S594 PolarHBondContact O-OG 3.17Å
591	L	70.2	Confident	66.3	Low	102 Å²	102	102 Å²	102	53%	0.534	58%	0.583	S	S	.	*	H	α-helix	trans	-70.8	-37.3	176.5	-165.3	116.8	0	0	0	112.2	V586 S587 L588 S594 A595	V586-L591 HydrophobicContact CG1-CD1 4.47Å; S587-L591 PolarHBondContact O-N 2.95Å; L588-L591 PolarHBondContact O-N 2.9Å; L591-S594 PolarHBondContact O-OG 3.44Å; L591-S594 VanDerWaalsContact O-OG 3.04Å; L591-A595 VanDerWaalsContact O-CB 3.26Å; L591-A595 WeakPolarHBondContact O-CB 3.3Å; L591-A595 PolarHBondContact O-N 3.33Å
592	V	75.2	Confident	68.9	Low	77 Å²	77	96.6 Å²	96.6	47%	0.467	57%	0.568	S	S	.	*	H	α-helix	trans	-68.7	-42.9	172.2	168.6	0	0	0	0	110.6	L588 A595 V596	L588-V592 HydrophobicContact CG-CG2 4.39Å; L588-V592 WeakPolarHBondContact O-CB 3Å; L588-V592 VanDerWaalsContact O-CG2 3.26Å; L588-V592 WeakPolarHBondContact O-CG2 3.36Å; L588-V592 PolarHBondContact O-N 3.38Å; V592-A595 PolarHBondContact O-N 3.31Å; V592-V596 HydrophobicContact CG1-CG2 4.29Å; V592-V596 WeakPolarHBondContact O-CB 3.22Å; V592-V596 VanDerWaalsContact O-CG2 3.27Å; V592-V596 WeakPolarHBondContact O-CG2 3.32Å; V592-V596 PolarHBondContact O-N 2.87Å
593	A	75.8	Confident	71.3	Confident	57 Å²	57	95.2 Å²	95.2	47%	0.471	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-43.1	176	0	0	0	0	0	112.2	N589 L590 V596 S597	N589-A593 WeakPolarHBondContact O-CB 2.93Å; N589-A593 PolarHBondContact O-N 3.23Å; L590-A593 PolarHBondContact O-N 3.1Å; A593-V596 PolarHBondContact O-N 2.88Å; A593-S597 WeakPolarHBondContact O-CB 3.31Å; A593-S597 PolarHBondContact O-N 3.42Å; A593-S597 PolarHBondContact O-OG 2.68Å
594	S	78.4	Confident	73.1	Confident	63 Å²	63	88 Å²	88	44%	0.441	54%	0.539	S	S	.	.	H	α-helix	trans	-66	-44.1	176.2	69	0	0	0	0	111.4	L590 L591 V596 S597 A598	L590-S594 WeakPolarHBondContact O-CB 3.49Å; L590-S594 PolarHBondContact O-N 2.83Å; L590-S594 PolarHBondContact O-OG 3.17Å; L591-S594 PolarHBondContact O-OG 3.44Å; L591-S594 VanDerWaalsContact O-OG 3.04Å; S594-V596 PolarHBondContact O-N 2.84Å; S594-S597 WeakPolarHBondContact CA-OG 3.46Å; S594-S597 PolarHBondContact O-N 2.8Å; S594-S597 PolarHBondContact O-OG 3.47Å; S594-A598 WeakPolarHBondContact O-CB 3.38Å; S594-A598 PolarHBondContact O-N 3.37Å
595	A	82.3	Confident	75.3	Confident	51 Å²	51	89.8 Å²	89.8	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.8	0	0	0	0	0	113	L591 V592 A598 F599	L591-A595 VanDerWaalsContact O-CB 3.26Å; L591-A595 WeakPolarHBondContact O-CB 3.3Å; L591-A595 PolarHBondContact O-N 3.33Å; V592-A595 PolarHBondContact O-N 3.31Å; A595-A598 PolarHBondContact O-N 2.88Å; A595-F599 PolarHBondContact O-N 2.82Å
596	V	85.8	Confident	77.1	Confident	85 Å²	85	85.1 Å²	85.1	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176.2	170.9	0	0	0	0	111.1	V592 A593 S594 F599 T600	V592-V596 HydrophobicContact CG1-CG2 4.29Å; V592-V596 WeakPolarHBondContact O-CB 3.22Å; V592-V596 VanDerWaalsContact O-CG2 3.27Å; V592-V596 WeakPolarHBondContact O-CG2 3.32Å; V592-V596 PolarHBondContact O-N 2.87Å; A593-V596 PolarHBondContact O-N 2.88Å; S594-V596 PolarHBondContact O-N 2.84Å; V596-F599 PolarHBondContact O-N 3.38Å; V596-T600 HydrophobicContact CG1-CG2 4.42Å; V596-T600 WeakPolarHBondContact O-CB 3.46Å; V596-T600 WeakPolarHBondContact O-CG2 3.32Å; V596-T600 PolarHBondContact O-N 2.71Å; V596-T600 PolarHBondContact O-OG1 2.86Å
597	S	83.1	Confident	78.5	Confident	56 Å²	56	81.4 Å²	81.4	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-42.3	174.7	77.1	0	0	0	0	111.9	A593 S594 T600 I601	A593-S597 WeakPolarHBondContact O-CB 3.31Å; A593-S597 PolarHBondContact O-N 3.42Å; A593-S597 PolarHBondContact O-OG 2.68Å; S594-S597 WeakPolarHBondContact CA-OG 3.46Å; S594-S597 PolarHBondContact O-N 2.8Å; S594-S597 PolarHBondContact O-OG 3.47Å; S597-T600 WeakPolarHBondContact CA-OG1 3.49Å; S597-T600 PolarHBondContact O-N 2.93Å; S597-T600 PolarHBondContact O-OG1 3.38Å; S597-T600 VanDerWaalsContact O-OG1 3.08Å; S597-I601 VanDerWaalsContact O-CB 3.3Å; S597-I601 WeakPolarHBondContact O-CB 3.47Å; S597-I601 WeakPolarHBondContact O-CD1 3.47Å; S597-I601 WeakPolarHBondContact O-CG1 3.49Å; S597-I601 PolarHBondContact O-N 2.73Å
598	A	87.6	Confident	79.6	Confident	62 Å²	62	84.1 Å²	84.1	51%	0.512	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176	0	0	0	0	0	111.9	S594 A595 G602	S594-A598 WeakPolarHBondContact O-CB 3.38Å; S594-A598 PolarHBondContact O-N 3.37Å; A595-A598 PolarHBondContact O-N 2.88Å; A598-G602 PolarHBondContact O-N 2.89Å
599	F	88	Confident	80.4	Confident	173 Å²	173	80.2 Å²	80.2	76%	0.759	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-42.2	177.7	-117.2	-87	0	0	0	112.6	A595 V596 G602 A603	A595-F599 PolarHBondContact O-N 2.82Å; V596-F599 PolarHBondContact O-N 3.38Å; F599-G602 PolarHBondContact O-N 3.22Å; F599-A603 VanDerWaalsContact O-CB 3.31Å; F599-A603 WeakPolarHBondContact O-CB 3.25Å; F599-A603 PolarHBondContact O-N 3.14Å
600	T	85.4	Confident	81.2	Confident	83 Å²	83	78.4 Å²	78.4	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-40.7	179	47.4	0	0	0	0	112.5	V596 S597 A603 A604	V596-T600 HydrophobicContact CG1-CG2 4.42Å; V596-T600 WeakPolarHBondContact O-CB 3.46Å; V596-T600 WeakPolarHBondContact O-CG2 3.32Å; V596-T600 PolarHBondContact O-N 2.71Å; V596-T600 PolarHBondContact O-OG1 2.86Å; S597-T600 WeakPolarHBondContact CA-OG1 3.49Å; S597-T600 PolarHBondContact O-N 2.93Å; S597-T600 PolarHBondContact O-OG1 3.38Å; S597-T600 VanDerWaalsContact O-OG1 3.08Å; T600-A603 PolarHBondContact O-N 3.08Å; T600-A604 WeakPolarHBondContact O-CB 3.5Å; T600-A604 PolarHBondContact O-N 3.13Å
601	I	88.4	Confident	81.5	Confident	101 Å²	101	77 Å²	77	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-43.1	172.3	-67.9	167.3	0	0	0	110.4	S597 A603 A604 L605	S597-I601 VanDerWaalsContact O-CB 3.3Å; S597-I601 WeakPolarHBondContact O-CB 3.47Å; S597-I601 WeakPolarHBondContact O-CD1 3.47Å; S597-I601 WeakPolarHBondContact O-CG1 3.49Å; S597-I601 PolarHBondContact O-N 2.73Å; I601-A603 PolarHBondContact O-N 3.12Å; I601-A604 PolarHBondContact O-N 3.23Å; I601-L605 HydrophobicContact CG2-CD1 3.78Å; I601-L605 HydrophobicContact CG2-CG 4.26Å; I601-L605 WeakPolarHBondContact O-CB 3.44Å; I601-L605 WeakPolarHBondContact O-CG 3.32Å; I601-L605 PolarHBondContact O-N 2.91Å
602	G	87.2	Confident	81.7	Confident	37 Å²	37	80.2 Å²	80.2	38%	0.381	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-41.6	175.9	0	0	0	0	0	113.1	A598 F599 S606	A598-G602 PolarHBondContact O-N 2.89Å; F599-G602 PolarHBondContact O-N 3.22Å; G602-S606 WeakPolarHBondContact O-CB 3.49Å; G602-S606 PolarHBondContact O-N 3.23Å; G602-S606 PolarHBondContact O-OG 3.29Å
603	A	85.9	Confident	81.5	Confident	60 Å²	60	81.2 Å²	81.2	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-42.2	174	0	0	0	0	0	112.1	F599 T600 I601 S606 G607	F599-A603 VanDerWaalsContact O-CB 3.31Å; F599-A603 WeakPolarHBondContact O-CB 3.25Å; F599-A603 PolarHBondContact O-N 3.14Å; T600-A603 PolarHBondContact O-N 3.08Å; I601-A603 PolarHBondContact O-N 3.12Å; A603-S606 WeakPolarHBondContact CA-OG 3.26Å; A603-S606 PolarHBondContact O-OG 3Å; A603-G607 PolarHBondContact O-N 2.87Å
604	A	83.1	Confident	81.2	Confident	54 Å²	54	85.2 Å²	85.2	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-46.7	176.4	0	0	0	0	0	112.1	T600 I601 G607 L608	T600-A604 WeakPolarHBondContact O-CB 3.5Å; T600-A604 PolarHBondContact O-N 3.13Å; I601-A604 PolarHBondContact O-N 3.23Å; A604-G607 PolarHBondContact O-N 2.76Å; A604-L608 WeakPolarHBondContact O-CB 3.49Å; A604-L608 VanDerWaalsContact O-CG 3.3Å; A604-L608 WeakPolarHBondContact O-CG 2.76Å; A604-L608 PolarHBondContact O-N 3.36Å
605	L	84.3	Confident	80.5	Confident	111 Å²	111	86 Å²	86	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-67.4	-39.7	-179.8	-70	174.3	0	0	0	112.5	I601 L608 A609	I601-L605 HydrophobicContact CG2-CD1 3.78Å; I601-L605 HydrophobicContact CG2-CG 4.26Å; I601-L605 WeakPolarHBondContact O-CB 3.44Å; I601-L605 WeakPolarHBondContact O-CG 3.32Å; I601-L605 PolarHBondContact O-N 2.91Å; L605-L608 PolarHBondContact O-N 3.14Å; L605-A609 WeakPolarHBondContact O-CB 3.29Å; L605-A609 PolarHBondContact O-N 3Å
606	S	82.5	Confident	79.3	Confident	67 Å²	67	89.5 Å²	89.5	47%	0.469	53%	0.531	S	S	.	.	H	α-helix	trans	-69.3	-38.6	175.1	53.8	0	0	0	0	112.3	G602 A603 A609 V610	G602-S606 WeakPolarHBondContact O-CB 3.49Å; G602-S606 PolarHBondContact O-N 3.23Å; G602-S606 PolarHBondContact O-OG 3.29Å; A603-S606 WeakPolarHBondContact CA-OG 3.26Å; A603-S606 PolarHBondContact O-OG 3Å; S606-A609 PolarHBondContact O-N 3.27Å; S606-V610 WeakPolarHBondContact O-CG2 3.47Å; S606-V610 PolarHBondContact O-N 2.99Å
607	G	80.4	Confident	77.5	Confident	35 Å²	35	93.1 Å²	93.1	36%	0.361	54%	0.54	S	S	.	.	H	α-helix	trans	-59.6	-47	171	0	0	0	0	0	112.5	A603 A604 A609 V610 C611	A603-G607 PolarHBondContact O-N 2.87Å; A604-G607 PolarHBondContact O-N 2.76Å; G607-A609 PolarHBondContact O-N 2.97Å; G607-V610 PolarHBondContact O-N 2.92Å; G607-C611 PolarHBondContact O-N 3.34Å
608	L	80.8	Confident	75.9	Confident	117 Å²	117	96 Å²	96	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-61.7	-41.5	175.1	-73.5	169.6	0	0	0	112.2	A604 L605 C611 W612	A604-L608 WeakPolarHBondContact O-CB 3.49Å; A604-L608 VanDerWaalsContact O-CG 3.3Å; A604-L608 WeakPolarHBondContact O-CG 2.76Å; A604-L608 PolarHBondContact O-N 3.36Å; L605-L608 PolarHBondContact O-N 3.14Å; L608-C611 PolarHBondContact O-N 2.92Å; L608-W612 WeakPolarHBondContact O-CB 3.35Å; L608-W612 PolarHBondContact O-N 3.18Å
609	A	77.2	Confident	73.7	Confident	46 Å²	46	98.3 Å²	98.3	38%	0.38	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-42.3	176.1	0	0	0	0	0	112.4	L605 S606 G607 W612 I613	L605-A609 WeakPolarHBondContact O-CB 3.29Å; L605-A609 PolarHBondContact O-N 3Å; S606-A609 PolarHBondContact O-N 3.27Å; G607-A609 PolarHBondContact O-N 2.97Å; A609-W612 PolarHBondContact O-N 3.04Å; A609-I613 WeakPolarHBondContact O-CB 3.31Å; A609-I613 WeakPolarHBondContact O-CD1 3.49Å; A609-I613 VanDerWaalsContact O-CG1 3.25Å; A609-I613 WeakPolarHBondContact O-CG1 3.38Å; A609-I613 PolarHBondContact O-N 3.36Å
610	V	78.6	Confident	71.3	Confident	91 Å²	91	96.8 Å²	96.8	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-65.4	-44.4	175.4	172.1	0	0	0	0	111.1	S606 G607 W612 I613 M614	S606-V610 WeakPolarHBondContact O-CG2 3.47Å; S606-V610 PolarHBondContact O-N 2.99Å; G607-V610 PolarHBondContact O-N 2.92Å; V610-W612 VanDerWaalsContact C-N 3.32Å; V610-W612 PolarHBondContact O-N 3.5Å; V610-I613 PolarHBondContact O-N 3.49Å; V610-M614 HydrophobicContact CG1-CG 4.37Å; V610-M614 WeakPolarHBondContact O-CB 3.29Å; V610-M614 VanDerWaalsContact O-CG 3.25Å; V610-M614 WeakPolarHBondContact O-CG 3.31Å; V610-M614 PolarHBondContact O-N 3.17Å
611	C	71.9	Confident	69	Low	89 Å²	89	103.8 Å²	103.8	60%	0.601	59%	0.593	S	S	*	*	H	α-helix	trans	-59.3	-41.4	173.7	-78.6	0	0	0	0	112.3	G607 L608 M614 A615	G607-C611 PolarHBondContact O-N 3.34Å; L608-C611 PolarHBondContact O-N 2.92Å; C611-M614 PolarHBondContact O-N 3.45Å; C611-A615 VanDerWaalsContact O-CB 3.28Å; C611-A615 WeakPolarHBondContact O-CB 3.37Å; C611-A615 PolarHBondContact O-N 3.1Å
612	W	73.6	Confident	66.5	Low	170 Å²	170	110.1 Å²	110.1	64%	0.644	61%	0.611	S	S	*	*	H	α-helix	trans	-66.5	-44.6	178.5	-167.8	70.5	0	0	0	112.1	L608 A609 V610 M614 A615 H616	L608-W612 WeakPolarHBondContact O-CB 3.35Å; L608-W612 PolarHBondContact O-N 3.18Å; A609-W612 PolarHBondContact O-N 3.04Å; V610-W612 VanDerWaalsContact C-N 3.32Å; V610-W612 PolarHBondContact O-N 3.5Å; W612-M614 VanDerWaalsContact C-N 3.32Å; W612-M614 PolarHBondContact O-N 2.93Å; W612-A615 PolarHBondContact O-N 2.71Å; W612-H616 AromaticContact CD1-CD2 3.47Å; W612-H616 VanDerWaalsContact CD1-CD2 3.47Å; W612-H616 AromaticContact CD1-NE2 3.71Å; W612-H616 AromaticContact CE2-CD2 3.59Å; W612-H616 AromaticContact CE2-NE2 3.88Å; W612-H616 AromaticContact CG-CD2 3.95Å; W612-H616 AromaticContact NE1-CD2 3.2Å; W612-H616 PolarHBondContact NE1-CD2 3.32Å; W612-H616 AromaticContact NE1-NE2 3.18Å; W612-H616 PolarHBondContact NE1-NE2 2.9Å; W612-H616 VanDerWaalsContact NE1-NE2 3.18Å; W612-H616 WeakPolarHBondContact O-CB 3.25Å; W612-H616 PolarHBondContact O-CD2 3.06Å; W612-H616 PolarHBondContact O-N 2.83Å
613	I	71.1	Confident	63.9	Low	97 Å²	97	117.6 Å²	117.6	50%	0.497	64%	0.635	S	S	.	*	H	α-helix	trans	-63.7	-36.6	175.9	-69.9	165	0	0	0	111.8	A609 V610	A609-I613 WeakPolarHBondContact O-CB 3.31Å; A609-I613 WeakPolarHBondContact O-CD1 3.49Å; A609-I613 VanDerWaalsContact O-CG1 3.25Å; A609-I613 WeakPolarHBondContact O-CG1 3.38Å; A609-I613 PolarHBondContact O-N 3.36Å; V610-I613 PolarHBondContact O-N 3.49Å
614	M	69.4	Low	61.3	Low	142 Å²	142	118.2 Å²	118.2	70%	0.7	65%	0.648	S	S	*	*	H	α-helix	trans	-74.1	-34.4	176.3	-69.8	-67.6	-74.5	0	0	112.5	V610 C611 W612	V610-M614 HydrophobicContact CG1-CG 4.37Å; V610-M614 WeakPolarHBondContact O-CB 3.29Å; V610-M614 VanDerWaalsContact O-CG 3.25Å; V610-M614 WeakPolarHBondContact O-CG 3.31Å; V610-M614 PolarHBondContact O-N 3.17Å; C611-M614 PolarHBondContact O-N 3.45Å; W612-M614 VanDerWaalsContact C-N 3.32Å; W612-M614 PolarHBondContact O-N 2.93Å
615	A	63	Low	58.8	Low	79 Å²	79	119.2 Å²	119.2	65%	0.653	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-32.2	175.3	0	0	0	0	0	113.2	C611 W612	C611-A615 VanDerWaalsContact O-CB 3.28Å; C611-A615 WeakPolarHBondContact O-CB 3.37Å; C611-A615 PolarHBondContact O-N 3.1Å; W612-A615 PolarHBondContact O-N 2.71Å
616	H	57.4	Low	56.1	Low	125 Å²	125	119 Å²	119	58%	0.579	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	20.9	-177.9	-77.3	-78.2	0	0	0	115.1	W612 P618	W612-H616 AromaticContact CD1-CD2 3.47Å; W612-H616 VanDerWaalsContact CD1-CD2 3.47Å; W612-H616 AromaticContact CD1-NE2 3.71Å; W612-H616 AromaticContact CE2-CD2 3.59Å; W612-H616 AromaticContact CE2-NE2 3.88Å; W612-H616 AromaticContact CG-CD2 3.95Å; W612-H616 AromaticContact NE1-CD2 3.2Å; W612-H616 PolarHBondContact NE1-CD2 3.32Å; W612-H616 AromaticContact NE1-NE2 3.18Å; W612-H616 PolarHBondContact NE1-NE2 2.9Å; W612-H616 VanDerWaalsContact NE1-NE2 3.18Å; W612-H616 WeakPolarHBondContact O-CB 3.25Å; W612-H616 PolarHBondContact O-CD2 3.06Å; W612-H616 PolarHBondContact O-N 2.83Å; H616-P618 WeakPolarHBondContact O-CD 3.21Å
617	K	48.1	Very low	53.6	Low	161 Å²	161	120.8 Å²	120.8	70%	0.7	68%	0.683	S	S	*	*			trans	-97	92.2	162.9	-83.8	-171.5	174.4	-179.4	0	111	A619	K617-A619 PolarHBondContact O-N 3.49Å
618	P	49.2	Very low	51.2	Low	117 Å²	117	128.5 Å²	128.5	76%	0.76	71%	0.71	S	S	*	*			trans	-66.5	107.8	174.6	27.6	-34.4	0	0	0	110.4	H616 N620	H616-P618 WeakPolarHBondContact O-CD 3.21Å; P618-N620 PolarHBondContact O-N 2.61Å
619	A	41.8	Very low	49.1	Very low	110 Å²	110	128 Å²	128	91%	0.909	72%	0.716	S	S	*	*			trans	-65.7	118.5	173	0	0	0	0	0	109.7	K617	K617-A619 PolarHBondContact O-N 3.49Å
620	N	38.8	Very low	46.7	Very low	140 Å²	140	130.7 Å²	130.7	75%	0.749	73%	0.732	S	S	*	*			trans	-130.3	129.2	-178.7	-149	-13.8	0	0	0	112.2	P618	P618-N620 PolarHBondContact O-N 2.61Å
621	R	36.7	Very low	45.1	Very low	230 Å²	230	134.2 Å²	134.2	87%	0.868	75%	0.746	S	S	*	*			trans	67.2	104.8	173.9	-56.7	-165.2	169.7	177.9	-5.2	118.7
622	R	34.5	Very low	43.3	Very low	234 Å²	234	138 Å²	138	88%	0.883	76%	0.755	S	S	*	*			trans	-74	-177.5	148.4	-66.6	173.9	167.5	173.9	-5.3	110.3
623	H	34.3	Very low	41.3	Very low	194 Å²	194	140.4 Å²	140.4	90%	0.898	76%	0.764	S	S	*	*			trans	83.1	136.7	-178.1	-64.3	37.7	0	0	0	113.8
624	G	30.3	Very low	39.3	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	78%	0.781	S	S	*	*			cis	175.1	157.7	-5.8	0	0	0	0	0	113.6
625	G	30.8	Very low	37.3	Very low	74 Å²	74	146.8 Å²	146.8	76%	0.763	78%	0.781	S	S	*	*			trans	74.1	156.8	-177.4	0	0	0	0	0	114.2
626	S	27.8	Very low	35.7	Very low	108 Å²	108	154.5 Å²	154.5	76%	0.755	79%	0.793	S	S	*	*			cis	145.2	149.5	-12.8	49.7	0	0	0	0	107.2
627	S	30.6	Very low	34.3	Very low	103 Å²	103	151.4 Å²	151.4	72%	0.72	80%	0.795	S	S	*	*			trans	51.4	101.1	171.5	49.6	0	0	0	0	116.8
628	Q	29.8	Very low	33.5	Very low	197 Å²	197	152.5 Å²	152.5	92%	0.921	81%	0.807	S	S	*	*				66.1	87.8	76.2	-68.7	-166.9	-7	0	0	116.5
629	S	37	Very low	32.9	Very low	107 Å²	107	154.2 Å²	154.2	75%	0.748	81%	0.81	S	S	*	*			trans	-157.5	105.7	139.5	47.8	0	0	0	0	106.7
630	S	27	Very low	32.1	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	80%	0.797	S	S	*	*				71.9	142.7	55.8	88.5	0	0	0	0	112.8
631	I	43.3	Very low	31.5	Very low	164 Å²	164	154.2 Å²	154.2	84%	0.841	80%	0.802	S	S	*	*			trans	69.7	107.7	-165.4	-47.5	161.5	0	0	0	110.9
632	Q	33.8	Very low	31.1	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.794	80%	0.802	S	S	*	*	S	Bend	cis	-131.5	159.5	6.5	-89	-179.1	-6.3	0	0	109
633	R	31.9	Very low	30.9	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.826	80%	0.798	S	S	*	*			cis	-162.8	107	-12.3	177.2	-176.9	-157.1	163.8	4.5	107.4
634	R	30.1	Very low	30.9	Very low	224 Å²	224	136.1 Å²	136.1	85%	0.845	79%	0.791	S	S	*	*			trans	-100.4	156.3	166.5	-157	-166.1	-178.3	173.2	0.2	108.5
635	E	27.1	Very low	30.8	Very low	149 Å²	149	140 Å²	140	70%	0.696	79%	0.792	S	S	*	*			trans	70.2	149.3	173	-56.4	174.6	-167.7	0	0	113.6
636	R	28.7	Very low	31	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.909	80%	0.799	S	S	*	*			cis	-110.9	165.7	14	-60.4	162.5	-178.1	148.5	-0.4	109.9
637	G	27.7	Very low	31.4	Very low	61 Å²	61	139.6 Å²	139.6	63%	0.629	79%	0.793	S	S	*	*			cis	92.4	136.4	19	0	0	0	0	0	111
638	L	32	Very low	31.7	Very low	183 Å²	183	139.6 Å²	139.6	96%	0.958	79%	0.793	S	S	*	*			trans	57.2	57.6	171.7	-61.2	168.8	0	0	0	116
639	L	36.7	Very low	31.9	Very low	154 Å²	154	136.8 Å²	136.8	81%	0.806	79%	0.789	S	S	*	*			trans	-130.1	122.6	156.1	-64.4	173.2	0	0	0	106.1
640	S	25.8	Very low	31.8	Very low	91 Å²	91	139.1 Å²	139.1	64%	0.636	79%	0.793	S	S	*	*				61.6	101.7	60.9	80	0	0	0	0	112
641	N	26	Very low	32	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	79%	0.791	S	S	*	*				53.8	105.6	91.4	-86.1	8	0	0	0	114.2
642	S	28.6	Very low	31.7	Very low	127 Å²	127	137.3 Å²	137.3	89%	0.888	79%	0.789	S	S	*	*			trans	153.3	151.9	142.9	52.8	0	0	0	0	111
643	G	30	Very low	31.7	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	79%	0.791	S	S	*	*			trans	81.3	131	-172.2	0	0	0	0	0	112.5
644	G	33.2	Very low	32.1	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	79%	0.791	S	S	*	*			cis	80.7	88	14	0	0	0	0	0	109.4
645	M	29.2	Very low	32.3	Very low	156 Å²	156	132.4 Å²	132.4	77%	0.768	79%	0.785	S	S	*	*				63	95.7	68.5	-167.5	-179.6	179.7	0	0	113.1
646	A	34.3	Very low	32.6	Very low	111 Å²	111	128.9 Å²	128.9	92%	0.917	79%	0.789	S	S	*	*	S	Bend	trans	-146.2	107	155.7	0	0	0	0	0	107.7
647	G	37.1	Very low	32.8	Very low	62 Å²	62	121.7 Å²	121.7	64%	0.639	79%	0.79	S	S	*	*	S	Bend	cis	-164.3	149.6	-6.2	0	0	0	0	0	113.6
648	S	35.7	Very low	33	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	80%	0.795	S	S	*	*			trans	66.1	165.9	-174.8	-57.2	0	0	0	0	114.3
649	V	35.2	Very low	32.8	Very low	138 Å²	138	121.2 Å²	121.2	84%	0.836	79%	0.786	S	S	*	*			cis	-124.9	167.4	6	-172.4	0	0	0	0	111
650	L	34.1	Very low	32.5	Very low	157 Å²	157	124 Å²	124	82%	0.822	79%	0.786	S	S	*	*			trans	-68.4	160.8	175	-62.6	166.1	0	0	0	113.3
651	S	32.7	Very low	32.6	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	79%	0.788	S	S	*	*			cis	-172.2	136.3	-11.4	47.2	0	0	0	0	114.3
652	V	35.3	Very low	32.6	Very low	132 Å²	132	122.7 Å²	122.7	80%	0.8	79%	0.787	S	S	*	*			trans	30.6	131.4	135.2	-161.1	0	0	0	0	119.7
653	T	34.4	Very low	32.6	Very low	138 Å²	138	121.6 Å²	121.6	85%	0.847	78%	0.78	S	S	*	*				-168.2	163	78.2	-47.5	0	0	0	0	115.4
654	R	40.7	Very low	32.4	Very low	216 Å²	216	127.4 Å²	127.4	82%	0.815	79%	0.786	S	S	*	*			trans	-80	-175.2	-179.4	-79.4	172.6	137.5	-176.4	1.1	115
655	Q	34	Very low	32	Very low	156 Å²	156	127.8 Å²	127.8	73%	0.729	79%	0.791	S	S	*	*			cis	-163.7	169.5	17.1	-152.4	156.1	-102.5	0	0	111.5
656	G	33.5	Very low	31.9	Very low	76 Å²	76	124.4 Å²	124.4	78%	0.784	80%	0.795	S	S	*	*			cis	142.8	88.1	-21.2	0	0	0	0	0	118.5
657	G	32.2	Very low	31.6	Very low	89 Å²	89	127.8 Å²	127.8	92%	0.918	79%	0.792	S	S	*	*			trans	153.7	157.5	167.6	0	0	0	0	0	114.6
658	G	31.6	Very low	31.3	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	80%	0.799	S	S	*	*			cis	177.4	163.4	-8.6	0	0	0	0	0	115.4
659	E	29.4	Very low	31	Very low	161 Å²	161	132.3 Å²	132.3	75%	0.752	80%	0.798	S	S	*	*			trans	63.5	161.4	161.3	-51.3	-154.2	112.6	0	0	120.7
660	R	29.2	Very low	30.6	Very low	214 Å²	214	134.1 Å²	134.1	81%	0.808	80%	0.795	S	S	*	*			cis	171.8	173.1	-22.9	-94.7	178.3	172.2	152.7	1.3	106.2
661	S	28.2	Very low	30.3	Very low	97 Å²	97	133 Å²	133	68%	0.678	79%	0.794	S	S	*	*				-170.1	154.5	-57	52.7	0	0	0	0	111.9
662	C	26.7	Very low	30.3	Very low	125 Å²	125	136 Å²	136	85%	0.845	80%	0.8	S	S	*	*			trans	79.6	153.4	169.2	-67.5	0	0	0	0	119.7
663	S	27.3	Very low	30.7	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	80%	0.801	S	S	*	*			cis	-169	171.2	-10.4	49.6	0	0	0	0	114.9
664	Q	27.1	Very low	30.6	Very low	197 Å²	197	137 Å²	137	92%	0.921	80%	0.803	S	S	*	*			trans	86.5	139.4	163.8	-62.2	-167.1	-3.8	0	0	122.7
665	G	24.6	Very low	29.8	Very low	83 Å²	83	130.7 Å²	130.7	86%	0.856	80%	0.804	S	S	*	*			trans	128.7	118.1	140.1	0	0	0	0	0	121.5
666	G	25.8	Very low	29.6	Very low	84 Å²	84	135 Å²	135	87%	0.866	81%	0.814	S	S	*	*				92.1	92.3	125.7	0	0	0	0	0	124.5
667	E	28.6	Very low	29.4	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	82%	0.82	S	S	*	*			trans	4.5	161.9	133.3	-81.8	-179.2	167.3	0	0	127.3
668	T	30.4	Very low	29.1	Very low	128 Å²	128	142.6 Å²	142.6	79%	0.785	81%	0.812	S	S	*	*			trans	77	177.2	152.7	57.1	0	0	0	0	122
669	L	29.8	Very low	29	Very low	133 Å²	133	145 Å²	145	70%	0.696	82%	0.817	S	S	*	*				-169	163.2	-79.1	-117.8	170.9	0	0	0	113
670	F	27.4	Very low	28.9	Very low	175 Å²	175	141.2 Å²	141.2	77%	0.768	82%	0.822	S	S	*	*			trans	79.2	136.5	149.2	-79.8	-49.6	0	0	0	126
671	V	27.9	Very low	28.9	Very low	134 Å²	134	139.6 Å²	139.6	81%	0.812	82%	0.824	S	S	*	*			trans	93.1	141.4	132.2	162.1	0	0	0	0	122.8
672	M	32.2	Very low	28.9	Very low	160 Å²	160	142.9 Å²	142.9	79%	0.788	83%	0.832	S	S	*	*			trans	-88.7	178.5	175.7	-60.9	-92.2	-151.7	0	0	112
673	P	44.1	Very low	28.9	Very low	128 Å²	128	144.1 Å²	144.1	83%	0.831	83%	0.831	S	S	*	*				-150.1	175.1	99	38.3	-20.9	0	0	0	116.6
674	N	31.1	Very low	29.6	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	83%	0.832	S	S	*	*			trans	-91.5	169.5	178.2	-52.4	-48.1	0	0	0	113
675	G	25.6	Very low	29.7	Very low	82 Å²	82	138.6 Å²	138.6	85%	0.845	82%	0.822	S	S	*	*			trans	-166.2	123.7	165.6	0	0	0	0	0	115.4
676	W	29.4	Very low	29.9	Very low	247 Å²	247	144.8 Å²	144.8	94%	0.936	83%	0.826	S	S	*	*			trans	-102.8	147.8	169.8	-93.2	-0	0	0	0	110.8
677	V	27.9	Very low	30.2	Very low	152 Å²	152	148.9 Å²	148.9	92%	0.921	83%	0.827	S	S	*	*			trans	-142.3	157.8	148.3	-172.7	0	0	0	0	109.4
678	K	27	Very low	30.5	Very low	173 Å²	173	145.9 Å²	145.9	75%	0.752	82%	0.823	S	S	*	*			trans	-108.4	160.3	-172.6	-73.4	-179.2	172.3	-178.1	0	114.1
679	S	29.9	Very low	30.9	Very low	122 Å²	122	146 Å²	146	85%	0.853	82%	0.824	S	S	*	*			trans	45.4	130.6	139.1	-56.6	0	0	0	0	121.8
680	G	27.3	Very low	31	Very low	82 Å²	82	145.6 Å²	145.6	85%	0.845	83%	0.829	S	S	*	*			trans	-161.8	147.8	164	0	0	0	0	0	110.7
681	E	28.6	Very low	31.1	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	83%	0.828	S	S	*	*			trans	-114.6	170.5	-162.1	-163.5	176	175.4	0	0	112.6
682	L	29	Very low	31.2	Very low	165 Å²	165	145.8 Å²	145.8	86%	0.864	82%	0.823	S	S	*	*			trans	95.8	132.2	163	-58.2	165.1	0	0	0	120.7
683	D	26.6	Very low	31.2	Very low	152 Å²	152	144 Å²	144	81%	0.813	82%	0.822	S	S	*	*			trans	-80.2	178.7	166.7	-106.1	-45.4	0	0	0	112.1
684	P	40.4	Very low	30.8	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	82%	0.818	S	S	*	*			cis	-134.8	165.8	-14.6	34.4	-16.5	0	0	0	115.5
685	G	29.7	Very low	30.6	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	82%	0.818	S	S	*	*			trans	105.9	168.5	141.6	0	0	0	0	0	119.8
686	F	29	Very low	30.8	Very low	213 Å²	213	150.1 Å²	150.1	93%	0.934	82%	0.822	S	S	*	*			trans	70.2	119.1	-178.1	-68.9	-83.5	0	0	0	118.7
687	L	31.3	Very low	30.6	Very low	170 Å²	170	148.2 Å²	148.2	89%	0.89	82%	0.82	S	S	*	*			trans	-66.2	153.5	162.1	-63.5	163.5	0	0	0	110
688	P	34.8	Very low	30.6	Very low	118 Å²	118	153 Å²	153	77%	0.766	82%	0.822	S	S	*	*				-138.4	167.7	96.3	38.3	-27.4	0	0	0	115.1
689	T	38.9	Very low	30.6	Very low	132 Å²	132	156.3 Å²	156.3	81%	0.81	83%	0.83	S	S	*	*			trans	-66.5	153.7	171.2	47.8	0	0	0	0	113.6
690	P	32.6	Very low	30.4	Very low	123 Å²	123	154.1 Å²	154.1	80%	0.799	83%	0.826	S	S	*	*			trans	-125.1	133.6	143.8	35.1	-24.7	0	0	0	113
691	E	30.3	Very low	30.3	Very low	159 Å²	159	158.9 Å²	158.9	74%	0.743	83%	0.831	S	S	*	*			trans	-84.3	173.6	159.7	-56.1	-175.1	129.7	0	0	110.8
692	H	30	Very low	30.2	Very low	155 Å²	155	161.2 Å²	161.2	72%	0.718	83%	0.832	S	S	*	*			trans	48.2	127.1	150.1	-67.5	-48.2	0	0	0	118.6
693	T	31	Very low	30	Very low	123 Å²	123	161.7 Å²	161.7	76%	0.755	84%	0.835	S	S	*	*			cis	-175	-166.7	41.5	-2.7	0	0	0	0	107.6
694	P	35.8	Very low	30	Very low	117 Å²	117	158.8 Å²	158.8	76%	0.76	83%	0.826	S	S	*	*			cis	-132	155.8	14	40.9	-22.7	0	0	0	118
695	Q	27.2	Very low	29.4	Very low	186 Å²	186	160.3 Å²	160.3	87%	0.869	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.3	140.3	157.2	-68.9	179.4	-18.8	0	0	110.7
696	Q	29.7	Very low	29.2	Very low	197 Å²	197	161.9 Å²	161.9	92%	0.921	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.4	127.6	171	-74.5	-166.4	-10	0	0	112.1
697	K	25.9	Very low	29.1	Very low	208 Å²	208	159.3 Å²	159.3	90%	0.904	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.5	130.9	170	-70	173.7	178.1	169.5	0	110.6
698	R	27.8	Very low	28.9	Very low	251 Å²	251	157.3 Å²	157.3	95%	0.947	83%	0.825	S	S	*	*			trans	-104	111.5	160.2	-108.8	-175.7	174.6	-168.8	-1.5	110.5
699	R	26.9	Very low	28.6	Very low	244 Å²	244	155.8 Å²	155.8	92%	0.921	83%	0.83	S	S	*	*			trans	-86	150.8	147	-71	177.4	172.5	170.5	-4	107
700	G	25.5	Very low	28	Very low	75 Å²	75	153.1 Å²	153.1	77%	0.773	83%	0.829	S	S	*	*			cis	123.1	97.5	2.2	0	0	0	0	0	110.8
701	L	25.7	Very low	27.8	Very low	182 Å²	182	159.3 Å²	159.3	95%	0.953	84%	0.836	S	S	*	*			trans	-133.1	149.1	170.7	-99.4	166.9	0	0	0	109
702	R	26.3	Very low	27.7	Very low	230 Å²	230	158.7 Å²	158.7	87%	0.868	84%	0.838	S	S	*	*			trans	-106.9	160.6	-165.5	-63.4	174.3	170.3	175.1	-6.2	112.2
703	L	25.4	Very low	27.6	Very low	176 Å²	176	157.1 Å²	157.1	92%	0.921	84%	0.839	S	S	*	*				-151.8	151.1	126.5	-107	157.5	0	0	0	109.8
704	S	26.5	Very low	27.6	Very low	90 Å²	90	156 Å²	156	63%	0.629	84%	0.837	S	S	*	*			trans	-93.1	-178.5	-178.6	-44.4	0	0	0	0	110
705	D	26.9	Very low	27.2	Very low	148 Å²	148	158.5 Å²	158.5	79%	0.791	84%	0.838	S	S	*	*			cis	-164	175.3	27	-122	-42.3	0	0	0	113.3
706	S	26.8	Very low	27.3	Very low	103 Å²	103	154.6 Å²	154.6	72%	0.72	83%	0.827	S	S	*	*			trans	77.6	111.3	157.5	-61.7	0	0	0	0	122.8
707	N	25.1	Very low	27.3	Very low	158 Å²	158	154.9 Å²	154.9	85%	0.845	82%	0.821	S	S	*	*			trans	38.2	110.5	138.2	-69.6	-4.9	0	0	0	122
708	S	28.5	Very low	27.5	Very low	129 Å²	129	152.9 Å²	152.9	90%	0.902	82%	0.82	S	S	*	*				-172.1	156.2	103	34.9	0	0	0	0	110.8
709	G	27.7	Very low	27.4	Very low	85 Å²	85	145 Å²	145	88%	0.876	82%	0.816	S	S	*	*			trans	-95.1	152	-178.6	0	0	0	0	0	113
710	G	27.4	Very low	27.4	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	82%	0.815	S	S	*	*			trans	-171.2	115.4	178.7	0	0	0	0	0	112.1
711	W	28.6	Very low	27.5	Very low	254 Å²	254	137.7 Å²	137.7	96%	0.962	82%	0.817	S	S	*	*			trans	-56	155.3	-179.5	-74.8	55.8	0	0	0	114.9
712	D	27.7	Very low	27.6	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	81%	0.808	S	S	*	*			trans	-57.6	142.4	154.8	-65.2	-78.1	0	0	0	111.4
713	T	28.1	Very low	27.8	Very low	121 Å²	121	130.2 Å²	130.2	74%	0.742	81%	0.809	S	S	*	*				158.7	128.2	104.3	-57.6	0	0	0	0	111.6
714	S	30.7	Very low	27.9	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	80%	0.799	S	S	*	*			trans	64	152	159.7	75.6	0	0	0	0	120.3
715	Q	26.3	Very low	28.1	Very low	169 Å²	169	129.4 Å²	129.4	79%	0.79	81%	0.814	S	S	*	*				-163.8	158.2	122.9	-103.5	-68.7	-18.2	0	0	108.7
716	T	29.7	Very low	28.2	Very low	104 Å²	104	126.2 Å²	126.2	64%	0.638	82%	0.816	S	S	*	*			trans	-151.8	147.2	179.1	-43.5	0	0	0	0	110.2
717	Y	29.6	Very low	28.5	Very low	204 Å²	204	127 Å²	127	80%	0.8	82%	0.821	S	S	*	*			trans	81.6	138.2	170.9	-71.3	-71.9	0	0	0	120.3
718	L	30.1	Very low	29.2	Very low	166 Å²	166	125.1 Å²	125.1	87%	0.869	82%	0.817	S	S	*	*			trans	60.5	108.8	145.6	-66.6	166.7	0	0	0	119.5
719	G	25.7	Very low	29	Very low	84 Å²	84	125.4 Å²	125.4	87%	0.866	82%	0.818	S	S	*	*			trans	-128.4	102	155.1	0	0	0	0	0	110.6
720	G	26.8	Very low	29	Very low	87 Å²	87	132.9 Å²	132.9	90%	0.897	82%	0.82	S	S	*	*			trans	-106.6	120	165.5	0	0	0	0	0	109.3
721	G	27.1	Very low	29.2	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	82%	0.822	S	S	*	*			trans	-163.2	154.1	-176.9	0	0	0	0	0	110.6
722	S	28.7	Very low	29.4	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	81%	0.81	S	S	*	*			trans	-141.9	161.6	-155.7	57.2	0	0	0	0	115.3
723	V	29.7	Very low	29.5	Very low	144 Å²	144	128.9 Å²	128.9	87%	0.873	81%	0.808	S	S	*	*			trans	80.3	123.1	167.9	-168	0	0	0	0	116
724	G	28.1	Very low	29.5	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	81%	0.809	S	S	*	*			trans	167.7	111.6	171.8	0	0	0	0	0	111.5
725	L	30.4	Very low	29.3	Very low	180 Å²	180	129 Å²	129	94%	0.942	81%	0.809	S	S	*	*			trans	-67.4	138.6	-171.6	-81.2	59.8	0	0	0	113
726	G	29.8	Very low	29.2	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	81%	0.813	S	S	*	*			trans	-179.1	92.9	172	0	0	0	0	0	114.3
727	S	33.4	Very low	29	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	82%	0.821	S	S	*	*			trans	-121.2	160.8	176.2	-79.8	0	0	0	0	110.4
728	P	39.9	Very low	28.6	Very low	119 Å²	119	130.4 Å²	130.4	77%	0.773	82%	0.82	S	S	*	*			cis	-135.9	161.2	-24.2	37.3	-21.9	0	0	0	113.9
729	C	24	Very low	28.5	Very low	135 Å²	135	128.1 Å²	128.1	91%	0.912	81%	0.813	S	S	*	*				-165.3	159.5	129.6	-121.6	0	0	0	0	111.7
730	R	27.3	Very low	28.6	Very low	242 Å²	242	135 Å²	135	91%	0.913	81%	0.813	S	S	*	*			trans	-120.6	147	-173.7	-77.7	-179.7	168	177.1	-4.7	112.2
731	M	31.1	Very low	28.6	Very low	171 Å²	171	137.2 Å²	137.2	84%	0.842	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.5	150.7	157	-69.8	-65.7	-77.3	0	0	110.4
732	P	32.3	Very low	28.7	Very low	109 Å²	109	141.9 Å²	141.9	71%	0.708	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.4	145.2	-167.2	30.4	-36.1	0	0	0	113.9
733	P	31.6	Very low	28.6	Very low	113 Å²	113	144.5 Å²	144.5	73%	0.734	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-88	168.4	170	36.6	-34.9	0	0	0	113
734	S	28	Very low	28.5	Very low	108 Å²	108	146.9 Å²	146.9	76%	0.755	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-50.4	140.3	171.9	53.2	0	0	0	0	114.6
735	V	26.6	Very low	28.4	Very low	115 Å²	115	147.4 Å²	147.4	70%	0.697	81%	0.808	S	S	*	*			trans	-105.4	110.1	174.4	179	0	0	0	0	110.9	L737	V735-L737 HydrophobicContact CG1-CB 4.2Å; V735-L737 HydrophobicContact CG1-CD1 3.72Å; V735-L737 HydrophobicContact CG1-CG 3.66Å
736	Y	23.9	Very low	28.3	Very low	227 Å²	227	142.8 Å²	142.8	89%	0.89	80%	0.804	S	S	*	*			trans	-87.7	143.8	148.1	-83	-99.9	0	0	0	107.7
737	L	23.8	Very low	28.2	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	81%	0.809	S	S	*	*			trans	-134.8	117.5	-179.1	-109	172.9	0	0	0	114.2	V735	V735-L737 HydrophobicContact CG1-CB 4.2Å; V735-L737 HydrophobicContact CG1-CD1 3.72Å; V735-L737 HydrophobicContact CG1-CG 3.66Å
738	T	22.1	Very low	28	Very low	125 Å²	125	141.2 Å²	141.2	77%	0.767	81%	0.807	S	S	*	*			trans	-157.5	130.4	174.9	48.6	0	0	0	0	108.8
739	T	28.7	Very low	27.6	Very low	118 Å²	118	147.5 Å²	147.5	72%	0.724	82%	0.815	S	S	*	*			cis	-160.8	172.8	-9.8	-50.7	0	0	0	0	106.6
740	R	27.5	Very low	28	Very low	229 Å²	229	150.5 Å²	150.5	86%	0.864	82%	0.815	S	S	*	*			trans	82.3	161.8	173.4	-44.7	171.2	178.2	173.4	-1.3	113.1
741	L	27.4	Very low	28.1	Very low	133 Å²	133	142.6 Å²	142.6	70%	0.696	81%	0.81	S	S	*	*			cis	-158.4	138.8	13.6	-149.1	160.2	0	0	0	109.9
742	F	28.1	Very low	28.1	Very low	179 Å²	179	138.1 Å²	138.1	79%	0.785	81%	0.807	S	S	*	*			trans	179.5	175.3	135.6	-105.1	-70.1	0	0	0	112.7
743	Q	26.6	Very low	28.3	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	82%	0.816	S	S	*	*			trans	-75.7	165.3	-171.3	-65.8	148.6	-47.3	0	0	111.7
744	Q	27.4	Very low	28.3	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	82%	0.821	S	S	*	*				-174.8	143	54	-178.5	179.1	29.7	0	0	113.2
745	G	27.1	Very low	28.6	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	83%	0.828	S	S	*	*			trans	91.8	124.1	144.7	0	0	0	0	0	121.5
746	G	26.8	Very low	28.8	Very low	84 Å²	84	144.9 Å²	144.9	87%	0.866	83%	0.832	S	S	*	*			trans	125.7	106.7	136.2	0	0	0	0	0	120.6
747	G	27.8	Very low	29.1	Very low	89 Å²	89	140.7 Å²	140.7	92%	0.918	83%	0.825	S	S	*	*			trans	70.4	102.4	139.1	0	0	0	0	0	120.7
748	G	29.1	Very low	29.4	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	82%	0.819	S	S	*	*			trans	-116.7	-168.3	174.3	0	0	0	0	0	115.2
749	R	31.3	Very low	29.9	Very low	250 Å²	250	139 Å²	139	94%	0.943	82%	0.817	S	S	*	*			trans	-162.9	157.1	157.4	-115.7	175	177.9	-174.9	-2.1	112.5
750	H	33.5	Very low	30.9	Very low	198 Å²	198	138.1 Å²	138.1	92%	0.917	81%	0.813	S	S	*	*			trans	-80.9	167.3	176.2	-67.4	-111.8	0	0	0	111.4
751	G	30.1	Very low	31.1	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	81%	0.807	S	S	*	*			cis	-174.3	-169.3	2.6	0	0	0	0	0	110.2
752	G	30.8	Very low	31.3	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	80%	0.802	S	S	*	*			cis	-176.1	171.5	-0.3	0	0	0	0	0	114.2
753	E	35.1	Very low	31.4	Very low	193 Å²	193	133.1 Å²	133.1	90%	0.902	79%	0.79	S	S	*	*			trans	44.8	128.4	163	-58.1	-156.4	100.4	0	0	124.3
754	G	31.5	Very low	31.6	Very low	82 Å²	82	134.2 Å²	134.2	85%	0.845	79%	0.788	S	S	*	*			trans	178.7	103	163.4	0	0	0	0	0	110.4
755	R	34.9	Very low	31.6	Very low	237 Å²	237	131.3 Å²	131.3	89%	0.894	78%	0.783	S	S	*	*			trans	-84.9	151.4	-167.2	-79.8	178.1	164.8	-175.7	-5.1	114.8
756	G	30.4	Very low	31.5	Very low	76 Å²	76	133 Å²	133	78%	0.784	78%	0.781	S	S	*	*			trans	-178.5	62.8	173.4	0	0	0	0	0	116.3
757	N	30.9	Very low	31.5	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	78%	0.783	S	S	*	*			trans	-65.8	158.1	174.4	-84.6	71.7	0	0	0	113.7
758	D	30.8	Very low	31.5	Very low	126 Å²	126	137.9 Å²	137.9	67%	0.674	77%	0.773	S	S	*	*			cis	-161	-169.1	-18.1	-146.4	-43.3	0	0	0	110.3
759	T	32.9	Very low	31.4	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	78%	0.781	S	S	*	*			trans	-101.9	-158.5	-173.5	58.5	0	0	0	0	110.2
760	P	49.8	Very low	31.2	Very low	100 Å²	100	140.2 Å²	140.2	65%	0.649	77%	0.771	S	S	*	*			cis	-148.2	163	6.4	45.3	-24.5	0	0	0	120.8
761	R	31.3	Very low	31	Very low	198 Å²	198	137 Å²	137	75%	0.747	76%	0.756	S	S	*	*				53.6	129.9	129.7	-65.5	168.7	98.2	134	8.5	124.2
762	Q	31.7	Very low	30.9	Very low	125 Å²	125	141.7 Å²	141.7	58%	0.584	76%	0.755	S	S	*	*				74.3	166.8	125.4	-69.7	177.2	-39.7	0	0	119.1
763	H	30.1	Very low	30.7	Very low	113 Å²	113	142.3 Å²	142.3	52%	0.523	76%	0.761	S	S	.	*			cis	-157.9	158.2	3.4	-126.2	-43.8	0	0	0	113.3
764	Y	30	Very low	30.4	Very low	187 Å²	187	137 Å²	137	73%	0.733	76%	0.759	S	S	*	*			trans	80.2	136.7	136.7	-78.9	-43	0	0	0	127.1
765	V	27.3	Very low	30.3	Very low	133 Å²	133	143.6 Å²	143.6	81%	0.806	76%	0.764	S	S	*	*			trans	89.9	136.6	134.5	164.4	0	0	0	0	121.3
766	C	24.9	Very low	30	Very low	117 Å²	117	136 Å²	136	79%	0.791	76%	0.759	S	S	*	*			trans	-87.8	163.5	179.4	-46.4	0	0	0	0	113.1
767	L	27.5	Very low	30.1	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	76%	0.762	S	S	*	*			trans	-154	169.2	140.3	-113.2	169.4	0	0	0	111
768	S	27.5	Very low	31	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	76%	0.76	S	S	*	*			trans	-117.2	161.7	-162	56.1	0	0	0	0	114.4
769	K	26.5	Very low	30.9	Very low	219 Å²	219	142.4 Å²	142.4	95%	0.952	77%	0.769	S	S	*	*			trans	-162.5	169.6	146.2	-115.4	167.4	-174.3	177.4	0	113.1
770	Q	27.6	Very low	30.9	Very low	158 Å²	158	141.1 Å²	141.1	74%	0.738	77%	0.77	S	S	*	*			trans	-142.6	146.2	-157.2	-172.2	-171.3	-28.5	0	0	111.9
771	E	28.8	Very low	30.8	Very low	129 Å²	129	141.8 Å²	141.8	60%	0.603	78%	0.775	S	S	*	*			trans	80.4	155.5	150.4	-108.5	175.4	-114.8	0	0	125.1
772	K	29.5	Very low	30.8	Very low	177 Å²	177	139 Å²	139	77%	0.77	78%	0.779	S	S	*	*			trans	75.4	80.5	154.5	-72.6	176.3	173.2	96.7	0	121
773	G	26.2	Very low	30.8	Very low	89 Å²	89	143.3 Å²	143.3	92%	0.918	79%	0.79	S	S	*	*				61.4	136.5	100.7	0	0	0	0	0	122.1
774	G	27.8	Very low	30.9	Very low	82 Å²	82	146.8 Å²	146.8	85%	0.845	80%	0.804	S	S	*	*			trans	-176.2	133.8	170.6	0	0	0	0	0	115.1
775	K	29.9	Very low	31.1	Very low	219 Å²	219	143.1 Å²	143.1	95%	0.952	81%	0.806	S	S	*	*			trans	-60.9	154.7	-179.4	-58.4	164.1	176.3	174.4	0	114.1
776	G	28.6	Very low	31.4	Very low	77 Å²	77	141.6 Å²	141.6	79%	0.794	81%	0.807	S	S	*	*			trans	170.5	105.8	158.5	0	0	0	0	0	118
777	T	32.6	Very low	31.6	Very low	138 Å²	138	139.8 Å²	139.8	85%	0.847	81%	0.809	S	S	*	*			trans	-110.1	171.2	150.9	54.8	0	0	0	0	107.5
778	P	50.3	Low	31.7	Very low	106 Å²	106	139.8 Å²	139.8	69%	0.688	80%	0.804	S	S	*	*			cis	-145.6	-168.9	16	46.3	-26.9	0	0	0	117.3
779	R	29.2	Very low	31.8	Very low	231 Å²	231	146.3 Å²	146.3	87%	0.872	82%	0.815	S	S	*	*			trans	68.6	107.2	154.8	-73.4	175.2	177.3	179.2	-1.7	120.6
780	A	32.3	Very low	32	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	80%	0.801	S	S	*	*				46.8	149.9	104	0	0	0	0	0	119.8
781	P	46.7	Very low	32.2	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	81%	0.807	S	S	*	*			cis	-158.4	-177.8	43.1	44.5	-22.1	0	0	0	120.6
782	V	31.4	Very low	33.1	Very low	140 Å²	140	143.7 Å²	143.7	85%	0.848	82%	0.815	S	S	*	*			trans	70.9	155.2	161.2	-166.6	0	0	0	0	118.6
783	R	32.3	Very low	33.2	Very low	216 Å²	216	144.1 Å²	144.1	82%	0.815	82%	0.822	S	S	*	*				178.1	154	-62.9	-170.2	-179.4	-175.1	-178.1	2.8	109.1
784	K	31.5	Very low	33.6	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	82%	0.817	S	S	*	*			trans	76.7	154.3	172.9	-55.6	-173.2	-179.6	-177.8	0	114.6
785	S	35.3	Very low	34.3	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	82%	0.815	S	S	*	*			cis	-176.6	164.2	-20.6	-91.1	0	0	0	0	107.4
786	A	33.3	Very low	34.4	Very low	101 Å²	101	146.6 Å²	146.6	84%	0.835	81%	0.811	S	S	*	*			cis	-173.1	162.1	-26.1	0	0	0	0	0	107.8
787	G	29.5	Very low	34.5	Very low	80 Å²	80	150.3 Å²	150.3	83%	0.825	81%	0.813	S	S	*	*			trans	173.7	123.6	174.1	0	0	0	0	0	113.1
788	E	29.4	Very low	34.4	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	81%	0.812	S	S	*	*			trans	-103.5	155.4	-176.9	-65.7	167.1	94.5	0	0	112
789	Y	29	Very low	34.2	Very low	239 Å²	239	149.8 Å²	149.8	94%	0.937	82%	0.815	S	S	*	*				-157	161.8	120.7	-110.7	-74.6	0	0	0	109.9
790	V	31.5	Very low	34.4	Very low	109 Å²	109	146 Å²	146	66%	0.661	81%	0.807	S	S	*	*			trans	-121.1	140.8	-151.7	174.6	0	0	0	0	113.2
791	Y	31.8	Very low	34.4	Very low	221 Å²	221	151 Å²	151	87%	0.867	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.2	143.8	160.6	-91.8	-92.9	0	0	0	110.4
792	P	46.8	Very low	33.7	Very low	120 Å²	120	157.1 Å²	157.1	78%	0.779	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.6	150.8	-176	29.1	-35.4	0	0	0	113.7
793	M	31.9	Very low	33.9	Very low	186 Å²	186	161.8 Å²	161.8	92%	0.916	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-87.3	155.6	-176.2	-62.4	179.7	178.4	0	0	113.9
794	T	33.8	Very low	33.8	Very low	133 Å²	133	158 Å²	158	82%	0.816	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-83.7	150	154.6	43.5	0	0	0	0	111.2
795	P	44.2	Very low	33.8	Very low	123 Å²	123	155.5 Å²	155.5	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-88.3	127.7	-177.2	-9.2	28.3	0	0	0	115.1
796	Q	31.1	Very low	33.6	Very low	186 Å²	186	155.9 Å²	155.9	87%	0.869	82%	0.82	S	S	*	*			trans	48	121.4	138.2	-65.8	-85.2	-61.8	0	0	121.6
797	D	30.2	Very low	33.3	Very low	155 Å²	155	155.2 Å²	155.2	83%	0.829	82%	0.815	S	S	*	*			trans	-81.1	152.6	155.8	-83.1	-58.7	0	0	0	112.5
798	S	30.3	Very low	33.8	Very low	118 Å²	118	157.7 Å²	157.7	83%	0.825	82%	0.817	S	S	*	*			trans	-169.3	157.8	141.7	-88.2	0	0	0	0	112.8
799	P	46.8	Very low	33.8	Very low	115 Å²	115	155.4 Å²	155.4	75%	0.747	82%	0.82	S	S	*	*			trans	-129.1	170.8	-138.7	42.7	-30.7	0	0	0	117
800	E	33.1	Very low	34	Very low	151 Å²	151	148.7 Å²	148.7	71%	0.706	81%	0.813	S	S	*	*				-177.9	163.2	129.6	-98.4	-118.7	112.3	0	0	114.9
801	R	33.2	Very low	34.5	Very low	198 Å²	198	149.2 Å²	149.2	75%	0.747	82%	0.819	S	S	*	*			trans	69.5	92.3	154.6	-74.5	169.4	-156.6	-102.9	-20.2	122.9
802	R	32.5	Very low	34.3	Very low	242 Å²	242	145.6 Å²	145.6	91%	0.913	82%	0.82	S	S	*	*				59.9	121.5	122.3	-74.1	-169.8	173.5	-160.2	-1.6	121.2
803	R	35	Very low	33.4	Very low	237 Å²	237	147.6 Å²	147.6	89%	0.894	82%	0.819	S	S	*	*			trans	-50.9	145.9	156.2	-52.9	167.5	179.5	161.6	-3	113.1
804	V	29.7	Very low	33.3	Very low	138 Å²	138	148.7 Å²	148.7	84%	0.836	81%	0.814	S	S	*	*			trans	-133.5	147.3	136.7	179.7	0	0	0	0	107.3
805	V	31.8	Very low	32.9	Very low	131 Å²	131	147.5 Å²	147.5	79%	0.794	81%	0.811	S	S	*	*			trans	-104.9	137.6	174.8	176	0	0	0	0	108.4
806	S	30.2	Very low	32.2	Very low	118 Å²	118	148.6 Å²	148.6	83%	0.825	81%	0.806	S	S	*	*			trans	-118.1	120.3	178	-59.3	0	0	0	0	110.9
807	A	28.2	Very low	32.8	Very low	87 Å²	87	145.5 Å²	145.5	72%	0.719	80%	0.802	S	S	*	*			trans	-126.9	155.8	165.9	0	0	0	0	0	107.8
808	P	40.6	Very low	32.9	Very low	133 Å²	133	144.4 Å²	144.4	86%	0.864	80%	0.795	S	S	*	*			trans	-88.2	158.8	-155.9	34.4	-37.2	0	0	0	114.7
809	S	29.5	Very low	34	Very low	124 Å²	124	143.7 Å²	143.7	87%	0.867	79%	0.788	S	S	*	*			trans	-154.1	140.4	165.8	52.6	0	0	0	0	113.6
810	A	31.1	Very low	33.1	Very low	98 Å²	98	145.9 Å²	145.9	81%	0.81	79%	0.792	S	S	*	*			trans	-169.2	169.4	167.7	0	0	0	0	0	106.2
811	P	43	Very low	32.8	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	80%	0.801	S	S	*	*			cis	-124.2	179.1	-4.9	41.9	-28.4	0	0	0	113.5
812	V	28.2	Very low	32.6	Very low	145 Å²	145	151.4 Å²	151.4	88%	0.879	81%	0.807	S	S	*	*			trans	-147.6	139.5	156.6	-178.4	0	0	0	0	109
813	E	26.4	Very low	33.2	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	80%	0.8	S	S	*	*			trans	-105.1	150.8	170.6	-61	175.6	114.9	0	0	110.9
814	Y	29.8	Very low	33.3	Very low	208 Å²	208	138 Å²	138	82%	0.816	79%	0.789	S	S	*	*				177.9	160.6	109.4	-121.7	-97.6	0	0	0	115.4
815	S	26.1	Very low	34.2	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	79%	0.786	S	S	*	*			trans	66.2	118.4	155.5	51	0	0	0	0	121.7
816	E	30.3	Very low	34.2	Very low	145 Å²	145	140.1 Å²	140.1	68%	0.678	79%	0.791	S	S	*	*			trans	-82.9	167.6	150.3	-147.7	-158.5	-114.8	0	0	109.8	L818	E816-L818 WeakPolarHBondContact OE2-CG 3.47Å; E816-L818 PolarHBondContact OE2-N 3.45Å; E816-L818 VanDerWaalsContact OE2-N 3.12Å
817	P	43.6	Very low	34.2	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	78%	0.782	S	S	*	*				-148.1	158.2	84.1	39	-21.1	0	0	0	117.4
818	L	32.4	Very low	34.3	Very low	132 Å²	132	143.8 Å²	143.8	69%	0.691	79%	0.789	S	S	*	*			trans	-70.6	-178.7	162.8	-71.3	167.1	0	0	0	112.7	E816	E816-L818 WeakPolarHBondContact OE2-CG 3.47Å; E816-L818 PolarHBondContact OE2-N 3.45Å; E816-L818 VanDerWaalsContact OE2-N 3.12Å
819	P	52.4	Low	33.8	Very low	103 Å²	103	145 Å²	145	67%	0.669	79%	0.786	S	S	*	*			cis	-145.5	-174.6	13.5	43.7	-23	0	0	0	118.9
820	L	28.4	Very low	33.8	Very low	160 Å²	160	146.4 Å²	146.4	84%	0.838	78%	0.783	S	S	*	*			trans	75.2	153.5	166.4	-54.2	171.6	0	0	0	116.3
821	R	25.9	Very low	33.8	Very low	234 Å²	234	147 Å²	147	88%	0.883	78%	0.782	S	S	*	*			cis	-153.3	149.8	17.4	-154.2	180	-167.9	173.7	2.8	112.8
822	W	30.1	Very low	33.3	Very low	231 Å²	231	145.7 Å²	145.7	88%	0.875	78%	0.775	S	S	*	*			trans	-71.9	163.4	168	-79	103.4	0	0	0	112.2
823	P	44.7	Very low	33.4	Very low	120 Å²	120	147.9 Å²	147.9	78%	0.779	78%	0.775	S	S	*	*				-152.2	-177.8	53.7	44.8	-23.7	0	0	0	119.4
824	A	37.4	Very low	33.6	Very low	79 Å²	79	143.5 Å²	143.5	65%	0.653	77%	0.774	S	S	*	*			trans	-100.4	175.3	159.8	0	0	0	0	0	110.8
825	P	48.6	Very low	33.5	Very low	121 Å²	121	143 Å²	143	79%	0.786	78%	0.781	S	S	*	*				-151.7	-174.6	100.2	41.4	-23.7	0	0	0	117
826	E	32.3	Very low	34	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	78%	0.783	S	S	*	*			trans	-44.5	169.7	170.1	-58.1	149.7	163.4	0	0	116.3
827	G	29.7	Very low	34.6	Very low	60 Å²	60	142.9 Å²	142.9	62%	0.619	79%	0.788	S	S	*	*			cis	140.5	136.3	-1.4	0	0	0	0	0	112.6
828	Y	29.4	Very low	34.4	Very low	222 Å²	222	143.4 Å²	143.4	87%	0.871	79%	0.788	S	S	*	*			trans	-149.9	105.7	-177.6	-86.6	-74	0	0	0	117.2
829	I	29.7	Very low	35.2	Very low	157 Å²	157	142.3 Å²	142.3	81%	0.805	79%	0.789	S	S	*	*				55.1	151.7	125.8	-58	-179.5	0	0	0	122.4
830	L	30.1	Very low	34.2	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	80%	0.797	S	S	*	*			trans	-107.2	169.6	-168.1	-96.4	72.4	0	0	0	116.2
831	S	31	Very low	35.6	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	79%	0.791	S	S	*	*			trans	77.6	151	145.5	-81.8	0	0	0	0	119.8
832	S	32.2	Very low	37.6	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	78%	0.783	S	S	*	*			cis	-161.6	-165.4	-3.9	56.9	0	0	0	0	112.8
833	H	31	Very low	38.6	Very low	192 Å²	192	130.6 Å²	130.6	89%	0.889	77%	0.773	S	S	*	*			trans	80.7	141.3	-176.3	-49.7	-79.2	0	0	0	116.4
834	G	30.4	Very low	38	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	77%	0.773	S	S	*	*			cis	170.4	163.3	-10.8	0	0	0	0	0	115.2
835	M	29	Very low	38	Very low	196 Å²	196	134.9 Å²	134.9	97%	0.966	78%	0.78	S	S	*	*			trans	84.8	151.3	170.8	-60.7	-157	-179.6	0	0	121.5
836	V	36.4	Very low	38.1	Very low	133 Å²	133	134 Å²	134	81%	0.806	78%	0.775	S	S	*	*			trans	-148.7	141.2	-177.8	170.6	0	0	0	0	107.7
837	P	41.2	Very low	39.7	Very low	120 Å²	120	130.1 Å²	130.1	78%	0.779	77%	0.766	S	S	*	*			trans	-148.4	160.4	131.7	36.4	-20.1	0	0	0	116
838	V	41.3	Very low	41	Very low	132 Å²	132	133.2 Å²	133.2	80%	0.8	78%	0.775	S	S	*	*			trans	-142.6	129.4	167.3	171.6	0	0	0	0	108.2
839	P	49.2	Very low	41.3	Very low	110 Å²	110	126.5 Å²	126.5	71%	0.714	77%	0.774	S	S	*	*			trans	-157.3	120.2	136.7	33.7	-12.2	0	0	0	118.5
840	L	31.3	Very low	41.4	Very low	157 Å²	157	122.7 Å²	122.7	82%	0.822	77%	0.773	S	S	*	*				62.1	-172.9	125.1	-59.2	173.5	0	0	0	119
841	P	57.9	Low	41.6	Very low	111 Å²	111	124.9 Å²	124.9	72%	0.721	78%	0.779	S	S	*	*				-130.4	-123.1	-111.2	29.5	-1.1	0	0	0	117.5
842	P	66.6	Low	41.9	Very low	109 Å²	109	123.3 Å²	123.3	71%	0.708	77%	0.772	S	S	*	*				-103.7	-164	-110.4	39	-21.7	0	0	0	114.1
843	P	50.5	Low	41.8	Very low	104 Å²	104	130 Å²	130	68%	0.675	79%	0.785	S	S	*	*				-159.6	151.9	100.3	42.7	-23.7	0	0	0	119.8
844	T	34.1	Very low	41.9	Very low	127 Å²	127	129 Å²	129	78%	0.779	78%	0.783	S	S	*	*			trans	60.6	156	134.9	59.5	0	0	0	0	123.1
845	M	35.9	Very low	41.9	Very low	163 Å²	163	129.9 Å²	129.9	80%	0.803	78%	0.778	S	S	*	*			cis	-161.2	-178.5	0.2	-106.6	-80	-81.4	0	0	110.1
846	P	50.7	Low	42.1	Very low	103 Å²	103	128.2 Å²	128.2	67%	0.669	77%	0.768	S	S	*	*			trans	-133.9	-128.7	-131.3	43.6	-17.9	0	0	0	117
847	P	66.3	Low	41.9	Very low	109 Å²	109	129 Å²	129	71%	0.708	76%	0.763	S	S	*	*			trans	-126.8	-163.3	-138.3	42.5	-18.4	0	0	0	115.9
848	P	56.8	Low	41.3	Very low	126 Å²	126	130.9 Å²	130.9	82%	0.818	76%	0.761	S	S	*	*				-128.7	-178.3	99.4	7.7	15.1	0	0	0	113.2
849	G	34.8	Very low	41	Very low	81 Å²	81	130.5 Å²	130.5	84%	0.835	76%	0.759	S	S	*	*			cis	118.7	135.1	4.7	0	0	0	0	0	112.4
850	G	33.1	Very low	41	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	76%	0.764	S	S	*	*			cis	174.3	-160.1	0.5	0	0	0	0	0	113.8
851	Q	34.3	Very low	40.9	Very low	201 Å²	201	126.8 Å²	126.8	94%	0.939	76%	0.756	S	S	*	*			trans	70.9	149.9	173	-63.5	-172.3	-8.9	0	0	119.3
852	A	36.4	Very low	39.6	Very low	78 Å²	78	130 Å²	130	65%	0.645	77%	0.766	S	S	*	*			cis	-169	169.5	-25.2	0	0	0	0	0	113.1
853	Y	30	Very low	37.9	Very low	233 Å²	233	130 Å²	130	91%	0.914	77%	0.768	S	S	*	*			trans	91.4	154.9	155.7	-87.4	-79.8	0	0	0	124.1
854	M	33.3	Very low	37	Very low	170 Å²	170	136.7 Å²	136.7	84%	0.837	78%	0.78	S	S	*	*			trans	-97.8	176.4	-169.5	-101.7	179.5	169.6	0	0	111.6
855	S	31.4	Very low	36.9	Very low	88 Å²	88	135.6 Å²	135.6	62%	0.615	78%	0.784	S	S	*	*			cis	-170.5	158.5	-2.7	41.4	0	0	0	0	111.9
856	Q	33.2	Very low	36.7	Very low	162 Å²	162	135.8 Å²	135.8	76%	0.757	79%	0.787	S	S	*	*			trans	57.2	127.9	142.4	-76.6	-176.2	-17	0	0	123.8
857	Q	31	Very low	35.7	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	80%	0.796	S	S	*	*				95.4	143	125	-85.7	-178.3	-15.5	0	0	124.9
858	H	28.6	Very low	33.9	Very low	160 Å²	160	144.8 Å²	144.8	74%	0.741	81%	0.805	S	S	*	*			trans	81.4	124.3	153.2	-75.7	-63.3	0	0	0	124.1
859	T	35	Very low	32.6	Very low	125 Å²	125	142.2 Å²	142.2	77%	0.767	80%	0.801	S	S	*	*			trans	-85.7	-179.4	158	47.5	0	0	0	0	110.6
860	P	50	Low	32.3	Very low	126 Å²	126	142.9 Å²	142.9	82%	0.818	80%	0.799	S	S	*	*			cis	-120.2	-161.1	3.5	44.7	-29.5	0	0	0	112.3
861	G	28	Very low	32	Very low	63 Å²	63	146.4 Å²	146.4	65%	0.649	80%	0.799	S	S	*	*			cis	122.3	153.1	-5.7	0	0	0	0	0	114.7
862	L	32.6	Very low	31.7	Very low	177 Å²	177	143 Å²	143	93%	0.927	78%	0.784	S	S	*	*			trans	68.9	154.9	-176	-64.9	157.2	0	0	0	115.2
863	S	29	Very low	31.3	Very low	109 Å²	109	150 Å²	150	76%	0.762	79%	0.793	S	S	*	*			cis	-163.2	167.8	-16.2	50.3	0	0	0	0	112.9
864	R	33.2	Very low	31.2	Very low	246 Å²	246	142.1 Å²	142.1	93%	0.928	78%	0.783	S	S	*	*			trans	-36.4	148.9	172.2	-65.6	167.4	161.6	164	-7.9	117.5
865	A	32.3	Very low	31.1	Very low	104 Å²	104	143 Å²	143	86%	0.86	79%	0.785	S	S	*	*			trans	-160.4	155.4	133.9	0	0	0	0	0	114.7
866	L	31.4	Very low	31	Very low	166 Å²	166	147.6 Å²	147.6	87%	0.869	80%	0.801	S	S	*	*			trans	-71.5	156.4	-172.3	-66.8	119.3	0	0	0	117.4
867	L	29	Very low	30.8	Very low	162 Å²	162	143.2 Å²	143.2	85%	0.848	80%	0.8	S	S	*	*				172	128.6	129.9	-87.9	158.9	0	0	0	106.9
868	R	28.7	Very low	30.8	Very low	239 Å²	239	144.7 Å²	144.7	90%	0.902	81%	0.807	S	S	*	*			cis	92.5	85.3	37.7	-162.2	-166.5	-159.6	-156.9	7.4	114.4
869	G	28.6	Very low	30.9	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	81%	0.81	S	S	*	*			trans	117.9	113	134.4	0	0	0	0	0	120.3
870	A	29	Very low	30.9	Very low	95 Å²	95	144 Å²	144	79%	0.785	81%	0.807	S	S	*	*				83.7	132.5	129.9	0	0	0	0	0	123.3
871	L	27	Very low	30.1	Very low	150 Å²	150	143.9 Å²	143.9	79%	0.785	80%	0.799	S	S	*	*			trans	80.7	110.7	137.9	-77.4	166	0	0	0	123.3
872	E	27.7	Very low	30.1	Very low	131 Å²	131	148.5 Å²	148.5	61%	0.612	81%	0.809	S	S	*	*				85.9	137.2	127.9	-122.9	-177.3	-103.7	0	0	122.1
873	R	29	Very low	30	Very low	225 Å²	225	144.4 Å²	144.4	85%	0.849	80%	0.795	S	S	*	*			trans	68.8	153	166.5	-53.3	174.1	-158.1	-168	3.5	116.6
874	G	26.7	Very low	30.4	Very low	67 Å²	67	147.4 Å²	147.4	69%	0.691	80%	0.797	S	S	*	*			cis	156.8	123.4	-10.7	0	0	0	0	0	113.2
875	E	31.3	Very low	30.3	Very low	188 Å²	188	143 Å²	143	88%	0.879	79%	0.79	S	S	*	*			trans	54	124.1	160.6	-55.4	-173	124.8	0	0	120.8
876	L	30	Very low	30.3	Very low	184 Å²	184	145.7 Å²	145.7	96%	0.963	79%	0.788	S	S	*	*				178.1	144.5	106.8	-95.7	159	0	0	0	111.2
877	G	29.1	Very low	30.2	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	78%	0.781	S	S	*	*			trans	144.9	63.8	176	0	0	0	0	0	116.7
878	E	29.9	Very low	30.4	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	78%	0.781	S	S	*	*			trans	21.1	129.8	153.8	-56.5	176	123.8	0	0	120.8
879	L	31.3	Very low	30.4	Very low	156 Å²	156	142 Å²	142	82%	0.817	78%	0.777	S	S	*	*				66.2	142.4	55.2	-69.3	160.1	0	0	0	113.4
880	V	34.5	Very low	30.4	Very low	116 Å²	116	145.6 Å²	145.6	70%	0.703	78%	0.78	S	S	*	*			cis	-137.2	121.9	14.6	-175.7	0	0	0	0	107.3
881	D	34.4	Very low	30.4	Very low	122 Å²	122	147.2 Å²	147.2	65%	0.652	78%	0.784	S	S	*	*				49.9	139.1	92.5	-174.9	43	0	0	0	117.1	S883	D881-S883 PolarHBondContact OD1-N 3.12Å
882	L	28.2	Very low	30.4	Very low	161 Å²	161	145.8 Å²	145.8	84%	0.843	79%	0.787	S	S	*	*				-161.2	125.8	127.6	-136.7	120.1	0	0	0	112.5
883	S	30.3	Very low	30.6	Very low	91 Å²	91	146.8 Å²	146.8	64%	0.636	80%	0.796	S	S	*	*			trans	-142.3	125.5	159.3	64.2	0	0	0	0	111.2	D881	D881-S883 PolarHBondContact OD1-N 3.12Å
884	Q	36.8	Very low	30.7	Very low	172 Å²	172	147 Å²	147	80%	0.804	80%	0.797	S	S	*	*			trans	-176.4	139.3	159	-115.2	175	73.1	0	0	113
885	L	31.6	Very low	31	Very low	152 Å²	152	148.9 Å²	148.9	80%	0.796	80%	0.795	S	S	*	*				174.7	106.9	120.2	-93.7	162.3	0	0	0	111.7
886	M	32.4	Very low	31.3	Very low	162 Å²	162	148.7 Å²	148.7	80%	0.798	79%	0.794	S	S	*	*			trans	57.6	151.7	132.1	-59.7	-68.7	-95	0	0	120.5
887	S	28.2	Very low	31.9	Very low	106 Å²	106	145 Å²	145	74%	0.741	79%	0.79	S	S	*	*			cis	-153.7	-178.7	5.2	-158.2	0	0	0	0	112.1
888	K	32.9	Very low	32.1	Very low	194 Å²	194	145 Å²	145	84%	0.843	79%	0.79	S	S	*	*			trans	-90.9	151.5	175.6	-60.7	174.3	177.8	175.6	0	113.2
889	K	30.5	Very low	32.4	Very low	189 Å²	189	149.6 Å²	149.6	82%	0.822	81%	0.811	S	S	*	*				-178.6	145.6	121.9	-105.2	-179	178.2	178.2	0	117
890	N	27.1	Very low	32.4	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	81%	0.811	S	S	*	*			trans	68.9	154.2	148	-71.1	22.7	0	0	0	122.9
891	C	28.6	Very low	32.3	Very low	130 Å²	130	151 Å²	151	88%	0.878	82%	0.817	S	S	*	*			trans	-112.7	155.7	-179.4	-41.5	0	0	0	0	111.5
892	S	27.9	Very low	32.2	Very low	120 Å²	120	152.6 Å²	152.6	84%	0.839	83%	0.826	S	S	*	*			trans	-171.3	160.3	143.7	55.6	0	0	0	0	111.6
893	D	31.9	Very low	32.4	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	83%	0.825	S	S	*	*			trans	-68.7	149.6	177.6	-48.9	-94.7	0	0	0	114.3
894	R	30.8	Very low	32.6	Very low	230 Å²	230	155.9 Å²	155.9	87%	0.868	84%	0.837	S	S	*	*				177.4	132.2	108.4	-104.2	-179.4	167.7	167.5	-4.1	117
895	T	34.3	Very low	32.3	Very low	107 Å²	107	154.9 Å²	154.9	66%	0.656	84%	0.839	S	S	*	*			trans	26.2	128.2	137.6	57.3	0	0	0	0	123.6
896	Q	36.7	Very low	32.4	Very low	184 Å²	184	155.1 Å²	155.1	86%	0.86	84%	0.842	S	S	*	*			trans	77.4	125	130.8	-75.3	-174.6	-24.1	0	0	123.4
897	A	41.8	Very low	32.3	Very low	106 Å²	106	154.5 Å²	154.5	88%	0.876	85%	0.845	S	S	*	*			trans	71.6	140.5	133.1	0	0	0	0	0	121.5
898	G	33.7	Very low	32.7	Very low	71 Å²	71	158.6 Å²	158.6	73%	0.732	85%	0.854	S	S	*	*			trans	137.2	43.5	137.4	0	0	0	0	0	121.3
899	Q	36	Very low	32.7	Very low	274 Å²	274	155.4 Å²	155.4	100%	1.28	86%	0.855	S	S	*	*				-178.8	0	121.2	-97.8	173.5	10.5	0	0	112.4

Retrieved 899 of 899 residues in 2580.8 ms (Link to these results)

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