A0A096N825_PAPAN Loading...

THO complex subunit 3

Component of the THO subcomplex of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and which specifically associates with spliced mRNA and not with unspliced pre-mRNA. Required for efficient export of polyadenylated RNA and spliced mRNA. The THOC1-THOC2-THOC3 core complex alone is sufficient to bind export factor NXF1-NXT1 and promote ATPase activity of DDX39B. TREX is recruited to spliced mRNAs by a transcription-independent mechanism, binds to mRNA upstream of the exon-junction complex (EJC) and is recruited in a splicing- and cap-dependent manner to a region near the 5' end of the mRNA where it functions in mRNA export to the cytoplasm via the TAP/NXF1 pathway.

AlphaFold DB , UniProt , Accession A0A096N825, Species PAPAN (Papio anubis, Olive baboon), Gene THOC3, Length 351 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	36.5	Very low	247 Å²	247	130 Å²	130	100%	1.217	85%	0.849	S	S	*	*				0	136.2	0	-97.6	175.5	-171.2	0	0	108.4
2	A	33.3	Very low	36.5	Very low	98 Å²	98	127.3 Å²	127.3	81%	0.81	85%	0.845	S	S	*	*			trans	0.9	131.8	171.7	0	0	0	0	0	121.8
3	V	39.3	Very low	36.3	Very low	133 Å²	133	130.5 Å²	130.5	81%	0.806	85%	0.848	S	S	*	*			trans	-40.1	165.2	147.6	-141.1	0	0	0	0	111.7
4	P	48.4	Very low	36	Very low	99 Å²	99	126.7 Å²	126.7	64%	0.643	85%	0.845	S	S	*	*			cis	-158.3	176.6	34.4	40.5	-14.6	0	0	0	121.5
5	T	36.6	Very low	36	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	85%	0.848	S	S	*	*			trans	57.1	151.7	141.1	49.3	0	0	0	0	121
6	A	36	Very low	36	Very low	92 Å²	92	130.3 Å²	130.3	76%	0.76	85%	0.847	S	S	*	*			cis	175.2	145.4	-18.4	0	0	0	0	0	105.2
7	A	33.1	Very low	35.9	Very low	108 Å²	108	126.4 Å²	126.4	89%	0.893	84%	0.836	S	S	*	*			trans	-169.3	125.4	145.7	0	0	0	0	0	111.2
8	M	33.7	Very low	35.7	Very low	195 Å²	195	127 Å²	127	96%	0.961	84%	0.839	S	S	*	*			trans	-76.1	153.3	176.9	-70	179.8	169.4	0	0	112.4
9	G	32.4	Very low	35.7	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	84%	0.837	S	S	*	*			trans	-121.6	146.4	155.5	0	0	0	0	0	109.5
10	P	37.5	Very low	35.6	Very low	137 Å²	137	126 Å²	126	89%	0.89	84%	0.837	S	S	*	*			trans	-89.4	141.9	-169.5	34.9	-31.1	0	0	0	111.4
11	S	35.8	Very low	35.6	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	84%	0.841	S	S	*	*			trans	-122.7	135.7	167.4	59.4	0	0	0	0	110.7
12	A	36.3	Very low	35.9	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	82%	0.819	S	S	*	*			trans	-69.6	144.6	-163.6	0	0	0	0	0	116.1
13	L	33.8	Very low	36.4	Very low	169 Å²	169	122.3 Å²	122.3	89%	0.885	82%	0.816	S	S	*	*			trans	-2.7	116.8	145.4	-69.4	154.5	0	0	0	117.7
14	G	33	Very low	36.3	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	82%	0.823	S	S	*	*			trans	-126.1	111.3	153.6	0	0	0	0	0	109.3
15	Q	35.8	Very low	35.9	Very low	192 Å²	192	128.2 Å²	128.2	90%	0.897	83%	0.827	S	S	*	*			trans	-84.6	127	165.8	-72.5	-176.5	1.7	0	0	108.7
16	S	35.8	Very low	35.8	Very low	118 Å²	118	128 Å²	128	83%	0.825	83%	0.831	S	S	*	*			trans	-148	102.8	160.7	61.3	0	0	0	0	110.4
17	G	34.4	Very low	36.4	Very low	65 Å²	65	129 Å²	129	67%	0.67	83%	0.827	S	S	*	*			trans	54.2	135.3	145.3	0	0	0	0	0	120.7	S19	G17-S19 PolarHBondContact O-N 3.24Å; G17-S19 VanDerWaalsContact O-N 3.09Å
18	P	32.6	Very low	36.8	Very low	137 Å²	137	128.4 Å²	128.4	89%	0.89	82%	0.817	S	S	*	*			trans	-69.8	108.5	164.6	30.2	-28.4	0	0	0	108.2	S20	P18-S20 PolarHBondContact O-N 3.22Å
19	S	34.5	Very low	37.9	Very low	114 Å²	114	125.5 Å²	125.5	80%	0.797	82%	0.815	S	S	*	*			trans	-65.3	117	169.2	51	0	0	0	0	108.7	G17 M21	G17-S19 PolarHBondContact O-N 3.24Å; G17-S19 VanDerWaalsContact O-N 3.09Å; S19-M21 PolarHBondContact O-N 3.22Å
20	S	34.5	Very low	39.3	Very low	119 Å²	119	124.2 Å²	124.2	83%	0.832	80%	0.802	S	S	*	*			trans	-46.5	115.4	178.8	54.5	0	0	0	0	112.5	P18	P18-S20 PolarHBondContact O-N 3.22Å
21	M	35	Very low	40.8	Very low	187 Å²	187	120.5 Å²	120.5	92%	0.921	78%	0.778	S	S	*	*			trans	-69.2	142.2	156.6	-89.9	179.8	165.2	0	0	110.2	S19	S19-M21 PolarHBondContact O-N 3.22Å
22	A	41.3	Very low	43	Very low	92 Å²	92	116.8 Å²	116.8	76%	0.76	75%	0.752	S	S	*	*			trans	88	149.9	156.6	0	0	0	0	0	118.3
23	P	44	Very low	45.4	Very low	116 Å²	116	123.2 Å²	123.2	75%	0.753	76%	0.755	S	S	*	*			cis	-130.3	136.8	15.4	29.1	-6.9	0	0	0	116.8
24	W	38.8	Very low	48	Very low	247 Å²	247	117.3 Å²	117.3	94%	0.936	72%	0.721	S	S	*	*			trans	-68.1	153.3	139.5	-77.7	37.2	0	0	0	108.8
25	C	38.1	Very low	50.7	Low	109 Å²	109	113.7 Å²	113.7	74%	0.736	68%	0.684	S	S	*	*			trans	74	83.3	178.5	-65.1	0	0	0	0	116.1	V27	C25-V27 HydrophobicContact CB-CG2 4.48Å; C25-V27 PolarHBondContact O-N 2.71Å
26	S	36	Very low	53.3	Low	127 Å²	127	108.9 Å²	108.9	89%	0.888	66%	0.664	S	S	*	*			trans	-87	67.6	142.2	61.7	0	0	0	0	109	S28	S26-S28 PolarHBondContact O-N 2.77Å
27	V	47.5	Very low	56	Low	113 Å²	113	105.2 Å²	105.2	69%	0.685	65%	0.645	S	S	*	*			trans	-76.1	111	154.5	178.9	0	0	0	0	103.8	C25 S29	C25-V27 HydrophobicContact CB-CG2 4.48Å; C25-V27 PolarHBondContact O-N 2.71Å; V27-S29 PolarHBondContact O-N 2.74Å
28	S	42.5	Very low	58.8	Low	96 Å²	96	103.2 Å²	103.2	67%	0.671	62%	0.618	S	S	*	*			trans	-53	109.6	172	50.9	0	0	0	0	107.8	S26 G30	S26-S28 PolarHBondContact O-N 2.77Å; S28-G30 PolarHBondContact O-N 3.1Å
29	S	56.4	Low	61.6	Low	134 Å²	134	99.2 Å²	99.2	94%	0.937	59%	0.587	S	S	*	*	S	Bend	trans	-74	28.2	-178.2	59.3	0	0	0	0	112.8	V27	V27-S29 PolarHBondContact O-N 2.74Å
30	G	61.3	Low	64.4	Low	40 Å²	40	99.3 Å²	99.3	41%	0.412	58%	0.575	S	S	.	*	S	Bend	trans	-128.8	153.8	177.9	0	0	0	0	0	109.6	S28 S32	S28-G30 PolarHBondContact O-N 3.1Å; G30-S32 PolarHBondContact O-N 2.77Å
31	P	68.6	Low	67.1	Low	60 Å²	60	96.3 Å²	96.3	39%	0.39	55%	0.55	S	S	.	.			trans	-51.5	138.6	176.4	20.7	-31.8	0	0	0	110.2	V35 L36	P31-V35 HydrophobicContact CB-CB 3.95Å; P31-V35 HydrophobicContact CB-CG1 3.69Å; P31-L36 HydrophobicContact CB-CD2 4.35Å; P31-L36 HydrophobicContact CB-CG 4.14Å; P31-L36 HydrophobicContact CG-CD1 4.13Å; P31-L36 HydrophobicContact CG-CD2 3.63Å; P31-L36 HydrophobicContact CG-CG 3.76Å
32	S	83.5	Confident	69.9	Low	42 Å²	42	87.5 Å²	87.5	29%	0.294	51%	0.506	S	S	.	.			trans	-48.8	147.3	177.8	163.6	0	0	0	0	110.5	G30 Y34 V35 L36	G30-S32 PolarHBondContact O-N 2.77Å; S32-Y34 PolarHBondContact O-N 2.8Å; S32-Y34 PolarHBondContact OG-N 2.84Å; S32-V35 WeakPolarHBondContact O-CA 3.24Å; S32-V35 WeakPolarHBondContact O-CB 3.47Å; S32-V35 PolarHBondContact O-N 3.23Å; S32-L36 PolarHBondContact O-N 2.82Å; S32-L36 VanDerWaalsContact O-N 3.07Å
33	R	86.9	Confident	72.3	Confident	233 Å²	233	90.1 Å²	90.1	88%	0.879	50%	0.497	S	S	*	.	H	α-helix	trans	-52.6	-30.7	173.9	-179.3	178.2	171.3	-171.4	-2.2	111.4	G37	R33-G37 PolarHBondContact O-N 2.8Å; R33-G37 VanDerWaalsContact O-N 3.1Å
34	Y	88.4	Confident	74.5	Confident	46 Å²	46	86.1 Å²	86.1	18%	0.18	48%	0.476	C	S	.	.	H	α-helix	trans	-65.5	-51	173.1	-178.9	-97.2	0	0	0	111.9	S32 L36 G37 M38 D277 K279 M280 E294 L301	S32-Y34 PolarHBondContact O-N 2.8Å; S32-Y34 PolarHBondContact OG-N 2.84Å; Y34-L36 PolarHBondContact O-N 2.82Å; Y34-G37 PolarHBondContact O-N 3.32Å; Y34-G37 VanDerWaalsContact O-N 3.12Å; Y34-M38 HydrophobicContact CD1-CG 4.09Å; Y34-M38 HydrophobicContact CD2-CG 4.24Å; Y34-M38 HydrophobicContact CE1-CG 3.69Å; Y34-M38 HydrophobicContact CE2-CG 3.85Å; Y34-M38 HydrophobicContact CE2-SD 4.14Å; Y34-M38 HydrophobicContact CG-CG 4.37Å; Y34-M38 WeakPolarHBondContact O-CG 3.39Å; Y34-M38 PolarHBondContact O-N 2.91Å; Y34-D277 PolarHBondContact OH-OD2 2.89Å; Y34-K279 HydrophobicContact CD2-CD 4.24Å; Y34-K279 HydrophobicContact CE1-CB 3.98Å; Y34-K279 HydrophobicContact CE2-CB 4.34Å; Y34-K279 HydrophobicContact CE2-CD 3.68Å; Y34-K279 VanDerWaalsContact OH-CB 3.23Å; Y34-K279 WeakPolarHBondContact OH-CB 3.4Å; Y34-M280 HydrophobicContact CE1-CG 4.39Å; Y34-M280 WeakPolarHBondContact OH-CG 3.36Å; Y34-E294 HydrophobicContact CD1-CG 3.95Å; Y34-E294 WeakPolarHBondContact CD1-OE1 3.36Å; Y34-E294 HydrophobicContact CE1-CG 4.02Å; Y34-L301 HydrophobicContact CE1-CD1 4.24Å
35	V	89.4	Confident	76.9	Confident	1 Å²	1	77 Å²	77	1%	0.006	44%	0.444	C	S	.	.	H	α-helix	trans	-53.3	-52.1	177.7	173.4	0	0	0	0	111.4	P31 S32 G37 M38 Q39 E294 D299 L301	P31-V35 HydrophobicContact CB-CB 3.95Å; P31-V35 HydrophobicContact CB-CG1 3.69Å; S32-V35 WeakPolarHBondContact O-CA 3.24Å; S32-V35 WeakPolarHBondContact O-CB 3.47Å; S32-V35 PolarHBondContact O-N 3.23Å; V35-G37 VanDerWaalsContact C-N 3.32Å; V35-G37 PolarHBondContact O-N 3.18Å; V35-M38 PolarHBondContact O-N 2.67Å; V35-Q39 HydrophobicContact CG1-CG 4.38Å; V35-Q39 WeakPolarHBondContact O-CB 3.38Å; V35-Q39 WeakPolarHBondContact O-CG 3.07Å; V35-Q39 PolarHBondContact O-N 3.12Å; V35-E294 HydrophobicContact CG2-CB 4.45Å; V35-E294 WeakPolarHBondContact CG2-OE2 3.48Å; V35-D299 HydrophobicContact CG2-CB 4.43Å; V35-L301 HydrophobicContact CB-CD2 3.94Å; V35-L301 HydrophobicContact CG1-CD2 3.83Å; V35-L301 HydrophobicContact CG2-CD2 3.83Å
36	L	90.8	Very high	79.2	Confident	91 Å²	91	74.2 Å²	74.2	48%	0.476	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-41.2	179.5	-71.8	172.8	0	0	0	111.9	P31 S32 Y34 E40	P31-L36 HydrophobicContact CB-CD2 4.35Å; P31-L36 HydrophobicContact CB-CG 4.14Å; P31-L36 HydrophobicContact CG-CD1 4.13Å; P31-L36 HydrophobicContact CG-CD2 3.63Å; P31-L36 HydrophobicContact CG-CG 3.76Å; S32-L36 PolarHBondContact O-N 2.82Å; S32-L36 VanDerWaalsContact O-N 3.07Å; Y34-L36 PolarHBondContact O-N 2.82Å; L36-E40 WeakPolarHBondContact O-CB 3.39Å; L36-E40 PolarHBondContact O-N 3.26Å
37	G	92.1	Very high	81.6	Confident	41 Å²	41	71.9 Å²	71.9	42%	0.423	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-41.7	177.7	0	0	0	0	0	112.9	R33 Y34 V35 E40 L41	R33-G37 PolarHBondContact O-N 2.8Å; R33-G37 VanDerWaalsContact O-N 3.1Å; Y34-G37 PolarHBondContact O-N 3.32Å; Y34-G37 VanDerWaalsContact O-N 3.12Å; V35-G37 VanDerWaalsContact C-N 3.32Å; V35-G37 PolarHBondContact O-N 3.18Å; G37-E40 PolarHBondContact O-N 3.06Å; G37-L41 WeakPolarHBondContact O-CB 3.04Å; G37-L41 PolarHBondContact O-N 3.23Å
38	M	91.9	Very high	83.7	Confident	23 Å²	23	69 Å²	69	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-72.5	-38.6	178.3	-68.6	-51.3	-54.3	0	0	112.3	Y34 V35 E40 L41 F42 M280 L301 P320	Y34-M38 HydrophobicContact CD1-CG 4.09Å; Y34-M38 HydrophobicContact CD2-CG 4.24Å; Y34-M38 HydrophobicContact CE1-CG 3.69Å; Y34-M38 HydrophobicContact CE2-CG 3.85Å; Y34-M38 HydrophobicContact CE2-SD 4.14Å; Y34-M38 HydrophobicContact CG-CG 4.37Å; Y34-M38 WeakPolarHBondContact O-CG 3.39Å; Y34-M38 PolarHBondContact O-N 2.91Å; V35-M38 PolarHBondContact O-N 2.67Å; M38-E40 VanDerWaalsContact C-N 3.31Å; M38-E40 PolarHBondContact O-N 3.36Å; M38-L41 HydrophobicContact CE-CD2 3.53Å; M38-L41 WeakPolarHBondContact O-CB 3.27Å; M38-L41 PolarHBondContact O-N 3.39Å; M38-L41 HydrophobicContact SD-CD2 4.15Å; M38-F42 HydrophobicContact CB-CE2 4.33Å; M38-F42 HydrophobicContact CE-CD2 4.47Å; M38-F42 HydrophobicContact CE-CE2 3.7Å; M38-F42 HydrophobicContact CE-CZ 3.72Å; M38-F42 WeakPolarHBondContact O-CD2 3.23Å; M38-F42 PolarHBondContact O-N 2.82Å; M38-M280 HydrophobicContact CE-CE 3.83Å; M38-M280 HydrophobicContact CE-SD 3.62Å; M38-L301 HydrophobicContact CB-CD1 4.28Å; M38-L301 HydrophobicContact CB-CD2 4.29Å; M38-P320 HydrophobicContact CE-CB 4.39Å
39	Q	92.8	Very high	86	Confident	52 Å²	52	67 Å²	67	24%	0.243	36%	0.36	C	S	.	.	H	α-helix	trans	-58.7	-44.5	172.2	-79.6	174	-6.5	0	0	111.3	V35 F42 R43 K300 L301	V35-Q39 HydrophobicContact CG1-CG 4.38Å; V35-Q39 WeakPolarHBondContact O-CB 3.38Å; V35-Q39 WeakPolarHBondContact O-CG 3.07Å; V35-Q39 PolarHBondContact O-N 3.12Å; Q39-F42 PolarHBondContact O-N 3.46Å; Q39-R43 WeakPolarHBondContact O-CG 3.22Å; Q39-R43 PolarHBondContact O-N 3.3Å; Q39-K300 PolarHBondContact NE2-O 2.89Å; Q39-L301 WeakPolarHBondContact CG-O 3.29Å
40	E	92.8	Very high	87.6	Confident	116 Å²	116	65.7 Å²	65.7	54%	0.542	34%	0.339	S	S	.	.	H	α-helix	trans	-68.3	-37.7	176.8	-166	60.5	-159.8	0	0	112.1	L36 G37 M38 R43 G44	L36-E40 WeakPolarHBondContact O-CB 3.39Å; L36-E40 PolarHBondContact O-N 3.26Å; G37-E40 PolarHBondContact O-N 3.06Å; M38-E40 VanDerWaalsContact C-N 3.31Å; M38-E40 PolarHBondContact O-N 3.36Å; E40-R43 WeakPolarHBondContact O-CB 3.32Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 WeakPolarHBondContact OE2-CD 3.5Å; E40-R43 IonicContact OE2-NH1 2.82Å; E40-R43 PolarHBondContact OE2-NH1 2.79Å; E40-R43 VanDerWaalsContact OE2-NH1 3.13Å; E40-G44 PolarHBondContact O-N 3.15Å
41	L	92.1	Very high	89	Confident	57 Å²	57	65 Å²	65	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-51.2	173.5	-176.9	74.5	0	0	0	111.1	G37 M38 R43 G44 H45 P320	G37-L41 WeakPolarHBondContact O-CB 3.04Å; G37-L41 PolarHBondContact O-N 3.23Å; M38-L41 HydrophobicContact CE-CD2 3.53Å; M38-L41 WeakPolarHBondContact O-CB 3.27Å; M38-L41 PolarHBondContact O-N 3.39Å; M38-L41 HydrophobicContact SD-CD2 4.15Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.4Å; L41-G44 CarbonylContact O-C 3.54Å; L41-G44 PolarHBondContact O-N 3.01Å; L41-G44 VanDerWaalsContact O-N 3.09Å; L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.95Å; L41-H45 PolarHBondContact O-ND1 2.87Å; L41-P320 HydrophobicContact CD2-CB 4.16Å; L41-P320 HydrophobicContact CD2-CG 3.69Å
42	F	93.1	Very high	90.1	Very high	1 Å²	1	68.1 Å²	68.1	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-68.3	-28.4	-178.7	-68.7	-52.9	0	0	0	112.7	M38 Q39 G44 H45 S46 M280 I292 W302 W315 P320 F345	M38-F42 HydrophobicContact CB-CE2 4.33Å; M38-F42 HydrophobicContact CE-CD2 4.47Å; M38-F42 HydrophobicContact CE-CE2 3.7Å; M38-F42 HydrophobicContact CE-CZ 3.72Å; M38-F42 WeakPolarHBondContact O-CD2 3.23Å; M38-F42 PolarHBondContact O-N 2.82Å; Q39-F42 PolarHBondContact O-N 3.46Å; F42-G44 VanDerWaalsContact C-N 3.31Å; F42-G44 PolarHBondContact O-N 3.11Å; F42-H45 CarbonylContact O-C 3.59Å; F42-H45 VanDerWaalsContact O-C 3.28Å; F42-H45 PolarHBondContact O-N 3.39Å; F42-H45 VanDerWaalsContact O-N 3.17Å; F42-S46 WeakPolarHBondContact O-CA 3.33Å; F42-S46 VanDerWaalsContact O-CB 3.28Å; F42-S46 WeakPolarHBondContact O-CB 3.49Å; F42-S46 PolarHBondContact O-N 2.54Å; F42-M280 HydrophobicContact CE2-SD 3.92Å; F42-M280 HydrophobicContact CZ-CE 4.32Å; F42-M280 HydrophobicContact CZ-SD 3.84Å; F42-I292 HydrophobicContact CE2-CG2 4.34Å; F42-W302 HydrophobicContact CB-CB 4.33Å; F42-W302 HydrophobicContact CB-CD2 3.47Å; F42-W302 VanDerWaalsContact CB-CD2 3.47Å; F42-W302 HydrophobicContact CB-CE3 3.54Å; F42-W302 HydrophobicContact CB-CG 3.83Å; F42-W302 HydrophobicContact CB-CH2 4.48Å; F42-W302 HydrophobicContact CB-CZ2 4.44Å; F42-W302 HydrophobicContact CB-CZ3 4.07Å; F42-W302 HydrophobicContact CD2-CB 3.8Å; F42-W302 HydrophobicContact CD2-CG 4.22Å; F42-W302 HydrophobicContact CE2-CB 4.41Å; F42-W302 HydrophobicContact CG-CB 4.19Å; F42-W302 HydrophobicContact CG-CD2 4.28Å; F42-W302 HydrophobicContact CG-CG 4.12Å; F42-W315 HydrophobicContact CE1-CH2 4.48Å; F42-W315 AromaticContact CZ-CH2 3.98Å; F42-W315 HydrophobicContact CZ-CH2 3.98Å; F42-P320 HydrophobicContact CE1-CB 4.49Å; F42-F345 AromaticContact CD1-CE1 3.69Å; F42-F345 HydrophobicContact CD1-CE1 3.69Å; F42-F345 HydrophobicContact CD1-CZ 4Å; F42-F345 AromaticContact CE1-CE1 3.92Å; F42-F345 HydrophobicContact CE1-CE1 3.92Å; F42-F345 HydrophobicContact CG-CE1 4.49Å
43	R	92.1	Very high	90.4	Very high	148 Å²	148	66.3 Å²	66.3	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-59.6	-40.8	167.9	-77.3	173.3	176.1	169.9	-1.2	112.6	Q39 E40 L41 H45 W302 N349	Q39-R43 WeakPolarHBondContact O-CG 3.22Å; Q39-R43 PolarHBondContact O-N 3.3Å; E40-R43 WeakPolarHBondContact O-CB 3.32Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 WeakPolarHBondContact OE2-CD 3.5Å; E40-R43 IonicContact OE2-NH1 2.82Å; E40-R43 PolarHBondContact OE2-NH1 2.79Å; E40-R43 VanDerWaalsContact OE2-NH1 3.13Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.4Å; R43-H45 VanDerWaalsContact C-N 3.33Å; R43-W302 HydrophobicContact CB-CH2 4.31Å; R43-W302 HydrophobicContact CG-CH2 3.61Å; R43-W302 HydrophobicContact CG-CZ3 3.63Å; R43-N349 PolarHBondContact O-ND2 3.33Å
44	G	88.9	Confident	90.7	Very high	32 Å²	32	55.7 Å²	55.7	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-80.2	-12.8	175.8	0	0	0	0	0	114.6	E40 L41 F42 N349	E40-G44 PolarHBondContact O-N 3.15Å; L41-G44 CarbonylContact O-C 3.54Å; L41-G44 PolarHBondContact O-N 3.01Å; L41-G44 VanDerWaalsContact O-N 3.09Å; F42-G44 VanDerWaalsContact C-N 3.31Å; F42-G44 PolarHBondContact O-N 3.11Å; G44-N349 PolarHBondContact O-N 3.38Å; G44-N349 PolarHBondContact O-ND2 2.98Å; G44-N349 PolarHBondContact O-OD1 2.78Å
45	H	90.3	Very high	90.8	Very high	55 Å²	55	58 Å²	58	26%	0.255	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	39.1	-172.7	-63.8	74.9	0	0	0	112.4	L41 F42 R43 K47 G346 L347	L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.95Å; L41-H45 PolarHBondContact O-ND1 2.87Å; F42-H45 CarbonylContact O-C 3.59Å; F42-H45 VanDerWaalsContact O-C 3.28Å; F42-H45 PolarHBondContact O-N 3.39Å; F42-H45 VanDerWaalsContact O-N 3.17Å; R43-H45 VanDerWaalsContact C-N 3.33Å; H45-K47 VanDerWaalsContact C-N 3.33Å; H45-G346 PolarHBondContact CD2-O 3.39Å; H45-G346 CarbonylContact O-C 3.45Å; H45-G346 WeakPolarHBondContact O-CA 3.48Å; H45-G346 PolarHBondContact O-N 3.07Å; H45-L347 CarbonylContact C-O 3.55Å; H45-L347 VanDerWaalsContact C-O 3.32Å; H45-L347 WeakPolarHBondContact CA-O 3.44Å
46	S	86.2	Confident	90.9	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	31%	0.312	S	S	.	.			trans	-88.5	-0.3	-173.4	57.1	0	0	0	0	113.5	F42 T48 N349	F42-S46 WeakPolarHBondContact O-CA 3.33Å; F42-S46 VanDerWaalsContact O-CB 3.28Å; F42-S46 WeakPolarHBondContact O-CB 3.49Å; F42-S46 PolarHBondContact O-N 2.54Å; S46-T48 PolarHBondContact O-N 3.09Å; S46-N349 PolarHBondContact N-OD1 2.81Å; S46-N349 VanDerWaalsContact N-OD1 3.09Å; S46-N349 PolarHBondContact OG-OD1 2.93Å
47	K	87	Confident	90.9	Very high	78 Å²	78	56.9 Å²	56.9	34%	0.339	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.6	-176	-169.6	173.7	-176	171.7	0	110.7	H45 N349 S351	H45-K47 VanDerWaalsContact C-N 3.33Å; K47-N349 PolarHBondContact N-OD1 2.81Å; K47-S351 PolarHBondContact NZ-O 3.25Å
48	T	89.8	Confident	91.1	Very high	52 Å²	52	54.9 Å²	54.9	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.9	168.3	-56.6	0	0	0	0	109.4	S46 F324 K343 L344	S46-T48 PolarHBondContact O-N 3.09Å; T48-F324 HydrophobicContact CG2-CE1 4.04Å; T48-F324 HydrophobicContact CG2-CZ 3.81Å; T48-K343 HydrophobicContact CG2-CB 3.81Å; T48-K343 HydrophobicContact CG2-CD 4.35Å; T48-L344 CarbonylContact C-O 3.54Å; T48-L344 WeakPolarHBondContact CA-O 3.13Å
49	R	90.8	Very high	91.2	Very high	55 Å²	55	56.2 Å²	56.2	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.8	169.5	-74.9	-173.1	179.6	173.3	-6.5	110.2	F51 D87 K343 L344 L347 S351	R49-F51 HydrophobicContact CB-CE2 3.68Å; R49-F51 HydrophobicContact CB-CZ 3.82Å; R49-F51 WeakPolarHBondContact O-CD2 3.37Å; R49-F51 WeakPolarHBondContact O-CE2 3.44Å; R49-D87 PolarHBondContact NH1-O 3.02Å; R49-K343 CarbonylContact O-C 2.91Å; R49-K343 WeakPolarHBondContact O-CA 3.48Å; R49-L344 PolarHBondContact N-O 3.3Å; R49-L344 PolarHBondContact O-N 2.81Å; R49-L347 HydrophobicContact CB-CD1 3.98Å; R49-L347 HydrophobicContact CG-CD1 3.7Å; R49-S351 PolarHBondContact NH2-O 2.57Å; R49-S351 PolarHBondContact NH2-OXT 3.42Å
50	E	91	Very high	91.3	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.5	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.5	179.2	-52.4	-171.1	151.3	0	0	111.2	K343	E50-K343 HydrophobicContact CG-CD 4Å; E50-K343 HydrophobicContact CG-CG 4.04Å; E50-K343 VanDerWaalsContact OE1-CE 3.27Å; E50-K343 WeakPolarHBondContact OE1-CE 3.5Å; E50-K343 IonicContact OE1-NZ 2.94Å; E50-K343 PolarHBondContact OE1-NZ 3.35Å
51	F	90.9	Very high	91.6	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.6	-179.5	-57.8	-89.3	0	0	0	108.7	R49 A53 R88 L89 T341 V342 L344	R49-F51 HydrophobicContact CB-CE2 3.68Å; R49-F51 HydrophobicContact CB-CZ 3.82Å; R49-F51 WeakPolarHBondContact O-CD2 3.37Å; R49-F51 WeakPolarHBondContact O-CE2 3.44Å; F51-A53 PolarHBondContact O-N 2.94Å; F51-R88 HydrophobicContact CE1-CG 3.99Å; F51-R88 HydrophobicContact CZ-CG 4.49Å; F51-L89 HydrophobicContact CD1-CB 3.73Å; F51-L89 HydrophobicContact CD2-CB 4.14Å; F51-L89 HydrophobicContact CD2-CD1 3.69Å; F51-L89 HydrophobicContact CD2-CG 4.25Å; F51-L89 HydrophobicContact CE1-CB 3.67Å; F51-L89 HydrophobicContact CE1-CG 4.47Å; F51-L89 WeakPolarHBondContact CE1-O 3.47Å; F51-L89 HydrophobicContact CE2-CB 4.09Å; F51-L89 HydrophobicContact CE2-CD1 3.85Å; F51-L89 HydrophobicContact CE2-CG 4.04Å; F51-L89 HydrophobicContact CG-CB 3.97Å; F51-L89 HydrophobicContact CG-CD1 4.14Å; F51-L89 HydrophobicContact CZ-CB 3.86Å; F51-L89 HydrophobicContact CZ-CD1 4.44Å; F51-L89 HydrophobicContact CZ-CG 4.16Å; F51-T341 WeakPolarHBondContact O-CA 3.22Å; F51-V342 WeakPolarHBondContact CD2-O 3.39Å; F51-V342 PolarHBondContact N-O 3.13Å; F51-V342 PolarHBondContact O-N 2.99Å; F51-L344 HydrophobicContact CE2-CB 4.04Å
52	L	90.4	Very high	91.8	Very high	124 Å²	124	46.6 Å²	46.6	65%	0.649	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	108.8	174.1	-175.8	64.5	0	0	0	109.3	A339 T341	L52-A339 HydrophobicContact CD1-CB 3.72Å; L52-T341 HydrophobicContact CD1-CG2 4.46Å
53	A	90.7	Very high	92.1	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-42.2	-173.6	0	0	0	0	0	112.2	F51 S80 F82 K91 G340 V342	F51-A53 PolarHBondContact O-N 2.94Å; A53-S80 PolarHBondContact O-OG 3.29Å; A53-F82 HydrophobicContact CB-CE2 3.86Å; A53-F82 HydrophobicContact CB-CZ 3.51Å; A53-K91 PolarHBondContact O-NZ 2.84Å; A53-G340 PolarHBondContact N-O 3.02Å; A53-V342 HydrophobicContact CB-CG2 3.77Å
54	H	92.9	Very high	92.3	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	162.9	-166	-70.1	-80.4	0	0	0	112.4	A56 V58 S72 S74 D76 T78 S80 G340	H54-A56 WeakPolarHBondContact CB-O 3.3Å; H54-V58 HydrophobicContact CB-CG2 4.38Å; H54-S72 PolarHBondContact CD2-OG 3.41Å; H54-S72 PolarHBondContact NE2-O 2.84Å; H54-S72 PolarHBondContact NE2-OG 2.88Å; H54-S74 WeakPolarHBondContact CB-OG 3.42Å; H54-S74 VanDerWaalsContact ND1-CB 3.3Å; H54-S74 WeakPolarHBondContact ND1-CB 3.27Å; H54-D76 WeakPolarHBondContact CA-OD2 3.25Å; H54-D76 VanDerWaalsContact CB-OD2 3.26Å; H54-D76 WeakPolarHBondContact CB-OD2 3.14Å; H54-D76 IonicContact CE1-OD1 3.95Å; H54-D76 IonicContact CG-OD2 2.69Å; H54-D76 IonicContact ND1-OD1 3.47Å; H54-D76 PolarHBondContact ND1-OD1 2.89Å; H54-D76 IonicContact ND1-OD2 3.77Å; H54-D76 PolarHBondContact ND1-OD2 3.44Å; H54-D76 VanDerWaalsContact ND1-OD2 3.07Å; H54-T78 PolarHBondContact CE1-O 2.86Å; H54-T78 PolarHBondContact CE1-OG1 2.94Å; H54-T78 VanDerWaalsContact CE1-OG1 3.23Å; H54-T78 PolarHBondContact ND1-OG1 3.32Å; H54-S80 PolarHBondContact CE1-OG 2.85Å; H54-S80 VanDerWaalsContact CE1-OG 3.31Å; H54-S80 PolarHBondContact NE2-OG 3.38Å; H54-G340 PolarHBondContact N-O 3.49Å; H54-G340 PolarHBondContact O-N 3.4Å
55	S	91.3	Very high	92.6	Very high	96 Å²	96	41 Å²	41	67%	0.671	22%	0.219	S	C	*	.	S	Bend	trans	-96.6	9.1	175.9	66.9	0	0	0	0	113.5	D76 E338	S55-D76 PolarHBondContact N-OD2 2.99Å; S55-E338 CarbonylContact C-O 3.48Å
56	A	91.3	Very high	92.8	Very high	9 Å²	9	40.1 Å²	40.1	7%	0.074	22%	0.216	C	C	.	.	S	Bend	trans	-150.3	176.3	173.1	0	0	0	0	0	109.1	H54 S74 F75 D76 E338 G340	H54-A56 WeakPolarHBondContact CB-O 3.3Å; A56-S74 PolarHBondContact O-OG 2.81Å; A56-S74 VanDerWaalsContact O-OG 3.07Å; A56-F75 HydrophobicContact CB-CB 3.98Å; A56-F75 HydrophobicContact CB-CD1 4.2Å; A56-D76 HydrophobicContact CB-CB 3.89Å; A56-E338 WeakPolarHBondContact CA-O 3.44Å; A56-E338 PolarHBondContact N-O 3.47Å; A56-E338 VanDerWaalsContact N-O 3.13Å; A56-G340 WeakPolarHBondContact O-CA 3.23Å; A56-G340 PolarHBondContact O-N 3.4Å
57	K	91.3	Very high	93.2	Very high	58 Å²	58	37.8 Å²	37.8	25%	0.252	20%	0.2	S	C	.	.			trans	-46.9	136.9	178.1	-175.2	174.5	175.7	143.1	0	113.7	S74 F75 F311 D327	K57-S74 VanDerWaalsContact O-CA 3.29Å; K57-S74 WeakPolarHBondContact O-CA 3.4Å; K57-S74 VanDerWaalsContact O-CB 3.31Å; K57-S74 WeakPolarHBondContact O-CB 3.5Å; K57-S74 PolarHBondContact O-OG 3.26Å; K57-F75 HydrophobicContact CB-CB 4.48Å; K57-F75 PolarHBondContact O-N 2.91Å; K57-F311 HydrophobicContact CD-CE2 4.25Å; K57-F311 VanDerWaalsContact CE-CD2 3.43Å; K57-D327 WeakPolarHBondContact CE-OD1 3.44Å; K57-D327 IonicContact NZ-OD1 2.74Å; K57-D327 PolarHBondContact NZ-OD1 2.85Å; K57-D327 IonicContact NZ-OD2 3.29Å
58	V	94.9	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.7	173.2	-178.3	0	0	0	0	108.5	H54 G73 A325 V342	H54-V58 HydrophobicContact CB-CG2 4.38Å; V58-G73 WeakPolarHBondContact CG1-O 3.47Å; V58-A325 HydrophobicContact CB-CB 3.8Å; V58-A325 HydrophobicContact CG1-CB 3.72Å; V58-V342 HydrophobicContact CG2-CG2 4.5Å
59	H	94.9	Very high	94	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-33.8	-179.8	-68.3	174.7	0	0	0	112.2	G73 F75 V102 D103	H59-G73 PolarHBondContact N-O 3.24Å; H59-F75 AromaticContact CE1-CD2 3.89Å; H59-V102 WeakPolarHBondContact CB-O 3.4Å; H59-V102 PolarHBondContact ND1-O 3.06Å; H59-D103 IonicContact CE1-OD1 3.13Å; H59-D103 PolarHBondContact CE1-OD1 3.17Å; H59-D103 IonicContact ND1-OD1 2.67Å; H59-D103 PolarHBondContact ND1-OD1 2.84Å
60	S	95.5	Very high	94.3	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.2	-173.6	175.2	0	0	0	0	111.9	S72 G73 Q104 L105	S60-S72 CarbonylContact O-C 3.59Å; S60-S72 VanDerWaalsContact O-CA 3.28Å; S60-S72 WeakPolarHBondContact O-CA 3.5Å; S60-G73 PolarHBondContact N-O 3.16Å; S60-G73 PolarHBondContact O-N 3.04Å; S60-Q104 PolarHBondContact OG-OE1 2.96Å; S60-L105 PolarHBondContact OG-N 3.19Å; S60-L105 PolarHBondContact OG-O 3.2Å
61	V	97.7	Very high	94.7	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.4	170.8	72.2	0	0	0	0	109.7	L70 A71 T312 A314 A323 V342	V61-L70 HydrophobicContact CG2-CD1 3.45Å; V61-L70 VanDerWaalsContact CG2-CD1 3.45Å; V61-L70 HydrophobicContact CG2-CD2 3.96Å; V61-L70 HydrophobicContact CG2-CG 3.75Å; V61-A71 WeakPolarHBondContact CA-O 3.43Å; V61-A71 WeakPolarHBondContact CG2-O 3.2Å; V61-T312 HydrophobicContact CB-CG2 4.14Å; V61-T312 HydrophobicContact CG1-CG2 3.72Å; V61-T312 PolarHBondContact N-OG1 2.95Å; V61-A314 HydrophobicContact CG1-CB 4.03Å; V61-A323 HydrophobicContact CG2-CB 4.27Å; V61-V342 HydrophobicContact CG2-CG1 4.2Å
62	A	97.8	Very high	95	Very high	16 Å²	16	32.6 Å²	32.6	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.6	178.2	0	0	0	0	0	112	L70 A71 L105 W107	A62-L70 WeakPolarHBondContact O-CD1 3Å; A62-A71 PolarHBondContact N-O 2.82Å; A62-A71 PolarHBondContact O-N 3.43Å; A62-L105 HydrophobicContact CB-CD2 3.91Å; A62-W107 VanDerWaalsContact C-CD1 3.45Å; A62-W107 VanDerWaalsContact O-CD1 3.23Å; A62-W107 PolarHBondContact O-NE1 2.92Å
63	W	97.9	Very high	95.3	Very high	22 Å²	22	26.7 Å²	26.7	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.3	175.6	-78.8	93.8	0	0	0	112	G67 L70 L84 L89 W107 A314 W315 H316 A323 L344	W63-G67 WeakPolarHBondContact CZ3-O 3.17Å; W63-L70 HydrophobicContact CD2-CD1 3.81Å; W63-L70 HydrophobicContact CE3-CB 4.44Å; W63-L70 HydrophobicContact CE3-CD1 4.48Å; W63-L70 HydrophobicContact CG-CD1 3.89Å; W63-L70 HydrophobicContact CH2-CB 4.37Å; W63-L70 HydrophobicContact CZ2-CD1 4.16Å; W63-L70 HydrophobicContact CZ3-CB 4.33Å; W63-L84 HydrophobicContact CH2-CB 4.02Å; W63-L84 HydrophobicContact CH2-CD1 4.27Å; W63-L84 HydrophobicContact CH2-CD2 3.67Å; W63-L84 HydrophobicContact CH2-CG 4.18Å; W63-L84 HydrophobicContact CZ3-CB 3.99Å; W63-L84 HydrophobicContact CZ3-CD2 3.94Å; W63-L84 HydrophobicContact CZ3-CG 4.49Å; W63-L89 HydrophobicContact CH2-CD2 4.35Å; W63-W107 WeakPolarHBondContact O-CB 3.4Å; W63-A314 PolarHBondContact NE1-O 3.07Å; W63-W315 VanDerWaalsContact CD1-O 3.32Å; W63-H316 HydrophobicContact CD2-CB 4.29Å; W63-H316 AromaticContact CD2-CD2 3.88Å; W63-H316 AromaticContact CE3-CD2 3.54Å; W63-H316 AromaticContact CH2-CD2 3.67Å; W63-H316 HydrophobicContact CZ2-CB 4.35Å; W63-H316 AromaticContact CZ2-CD2 3.94Å; W63-H316 AromaticContact CZ3-CD2 3.45Å; W63-H316 VanDerWaalsContact CZ3-CD2 3.45Å; W63-H316 WeakPolarHBondContact CZ3-CD2 3.44Å; W63-A323 HydrophobicContact CZ2-CB 4.26Å; W63-L344 HydrophobicContact CZ2-CD1 3.88Å
64	S	97.3	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.			trans	-63.9	150.2	165	64.7	0	0	0	0	110.3	D66 G67 R68 R69 P317	S64-D66 WeakPolarHBondContact CB-OD1 3.06Å; S64-D66 PolarHBondContact O-N 3.13Å; S64-D66 VanDerWaalsContact O-N 3.13Å; S64-D66 PolarHBondContact OG-OD1 2.98Å; S64-G67 WeakPolarHBondContact O-CA 3.27Å; S64-G67 PolarHBondContact O-N 2.8Å; S64-R68 PolarHBondContact OG-N 3.12Å; S64-R69 PolarHBondContact N-O 2.96Å; S64-R69 PolarHBondContact OG-N 2.83Å; S64-R69 PolarHBondContact OG-O 2.85Å; S64-P317 WeakPolarHBondContact O-CG 3.43Å
65	C	94.8	Very high	95.6	Very high	42 Å²	42	31 Å²	31	28%	0.284	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	-176.4	62.8	0	0	0	0	114.2	G67 P109	C65-G67 VanDerWaalsContact C-N 3.34Å; C65-P109 WeakPolarHBondContact CB-O 3.48Å
66	D	95.1	Very high	95.8	Very high	35 Å²	35	28 Å²	28	19%	0.187	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	175.8	71.5	-12.4	0	0	0	113.8	S64 R68 P112 K318	S64-D66 WeakPolarHBondContact CB-OD1 3.06Å; S64-D66 PolarHBondContact O-N 3.13Å; S64-D66 VanDerWaalsContact O-N 3.13Å; S64-D66 PolarHBondContact OG-OD1 2.98Å; D66-R68 VanDerWaalsContact C-N 3.29Å; D66-R68 PolarHBondContact OD1-N 2.93Å; D66-R68 VanDerWaalsContact OD2-CD 3.25Å; D66-R68 WeakPolarHBondContact OD2-CD 3.05Å; D66-R68 WeakPolarHBondContact OD2-CG 3.33Å; D66-R68 IonicContact OD2-NE 2.77Å; D66-P112 HydrophobicContact CB-CB 3.97Å; D66-P112 VanDerWaalsContact CG-CB 3.49Å; D66-K318 WeakPolarHBondContact O-CE 3.44Å; D66-K318 PolarHBondContact O-NZ 3.47Å
67	G	94.6	Very high	96	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	77.3	6.2	-177.5	0	0	0	0	0	114.6	W63 S64 C65 H316 P317	W63-G67 WeakPolarHBondContact CZ3-O 3.17Å; S64-G67 WeakPolarHBondContact O-CA 3.27Å; S64-G67 PolarHBondContact O-N 2.8Å; C65-G67 VanDerWaalsContact C-N 3.34Å; G67-H316 WeakPolarHBondContact CA-NE2 3.47Å; G67-H316 PolarHBondContact O-CD2 3.17Å; G67-H316 PolarHBondContact O-NE2 2.66Å; G67-P317 VanDerWaalsContact CA-CG 3.44Å
68	R	95.6	Very high	96.3	Very high	166 Å²	166	29.1 Å²	29.1	63%	0.626	13%	0.134	S	C	*	.	S	Bend	trans	-81.1	-29	-177.8	-66	-174.5	-176.7	176.7	0.8	112.4	S64 D66 L83 L84	S64-R68 PolarHBondContact OG-N 3.12Å; D66-R68 VanDerWaalsContact C-N 3.29Å; D66-R68 PolarHBondContact OD1-N 2.93Å; D66-R68 VanDerWaalsContact OD2-CD 3.25Å; D66-R68 WeakPolarHBondContact OD2-CD 3.05Å; D66-R68 WeakPolarHBondContact OD2-CG 3.33Å; D66-R68 IonicContact OD2-NE 2.77Å; R68-L83 HydrophobicContact CB-CD1 4.3Å; R68-L84 PolarHBondContact O-N 2.79Å
69	R	97.1	Very high	96.4	Very high	43 Å²	43	29.2 Å²	29.2	16%	0.162	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.4	-173.7	-65.8	179.9	176.4	141.2	2.4	112.2	S64 V81 F82 L83 E92 W107 D113	S64-R69 PolarHBondContact N-O 2.96Å; S64-R69 PolarHBondContact OG-N 2.83Å; S64-R69 PolarHBondContact OG-O 2.85Å; R69-V81 HydrophobicContact CB-CG1 4.24Å; R69-V81 HydrophobicContact CG-CG1 4.4Å; R69-F82 CarbonylContact C-O 3.54Å; R69-F82 WeakPolarHBondContact CA-O 3.46Å; R69-L83 HydrophobicContact CG-CD1 4.28Å; R69-E92 WeakPolarHBondContact CD-OE2 3.37Å; R69-E92 IonicContact CZ-OE2 3.75Å; R69-E92 IonicContact NE-OE1 2.75Å; R69-E92 IonicContact NE-OE2 2.69Å; R69-E92 PolarHBondContact NE-OE2 2.85Å; R69-E92 IonicContact NH2-OE1 3.82Å; R69-E92 IonicContact NH2-OE2 3.85Å; R69-W107 HydrophobicContact CB-CH2 3.65Å; R69-W107 HydrophobicContact CB-CZ2 3.72Å; R69-W107 HydrophobicContact CG-CH2 4.42Å; R69-D113 IonicContact CZ-OD1 3.17Å; R69-D113 IonicContact NH1-OD1 3.55Å; R69-D113 PolarHBondContact NH1-OD1 2.98Å
70	L	97.8	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.4	170.9	-173	66.4	0	0	0	108	V61 A62 W63 V81 F82 L89 A323 V342	V61-L70 HydrophobicContact CG2-CD1 3.45Å; V61-L70 VanDerWaalsContact CG2-CD1 3.45Å; V61-L70 HydrophobicContact CG2-CD2 3.96Å; V61-L70 HydrophobicContact CG2-CG 3.75Å; A62-L70 WeakPolarHBondContact O-CD1 3Å; W63-L70 HydrophobicContact CD2-CD1 3.81Å; W63-L70 HydrophobicContact CE3-CB 4.44Å; W63-L70 HydrophobicContact CE3-CD1 4.48Å; W63-L70 HydrophobicContact CG-CD1 3.89Å; W63-L70 HydrophobicContact CH2-CB 4.37Å; W63-L70 HydrophobicContact CZ2-CD1 4.16Å; W63-L70 HydrophobicContact CZ3-CB 4.33Å; L70-V81 CarbonylContact O-C 3.47Å; L70-V81 WeakPolarHBondContact O-CA 3.43Å; L70-F82 HydrophobicContact CB-CB 4.43Å; L70-F82 PolarHBondContact N-O 2.6Å; L70-F82 PolarHBondContact O-N 3.43Å; L70-L89 HydrophobicContact CB-CD2 4.17Å; L70-L89 HydrophobicContact CD2-CD1 3.52Å; L70-L89 HydrophobicContact CD2-CD2 4.27Å; L70-A323 HydrophobicContact CD1-CB 3.78Å; L70-A323 HydrophobicContact CD2-CB 3.83Å; L70-A323 HydrophobicContact CG-CB 4.48Å; L70-V342 HydrophobicContact CD2-CG1 3.61Å
71	A	98.1	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.4	172.2	0	0	0	0	0	110.2	V61 A62 S80 V81 L105 W107	V61-A71 WeakPolarHBondContact CA-O 3.43Å; V61-A71 WeakPolarHBondContact CG2-O 3.2Å; A62-A71 PolarHBondContact N-O 2.82Å; A62-A71 PolarHBondContact O-N 3.43Å; A71-S80 CarbonylContact C-O 3.56Å; A71-S80 VanDerWaalsContact CA-O 3.28Å; A71-S80 WeakPolarHBondContact CA-O 3.44Å; A71-V81 HydrophobicContact CB-CG2 3.99Å; A71-L105 HydrophobicContact CB-CD1 3.7Å; A71-L105 HydrophobicContact CB-CD2 3.53Å; A71-L105 HydrophobicContact CB-CG 4.33Å; A71-W107 HydrophobicContact CB-CZ2 3.64Å
72	S	97.6	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.1	174.9	58.8	0	0	0	0	110.8	H54 S60 A79 S80	H54-S72 PolarHBondContact CD2-OG 3.41Å; H54-S72 PolarHBondContact NE2-O 2.84Å; H54-S72 PolarHBondContact NE2-OG 2.88Å; S60-S72 CarbonylContact O-C 3.59Å; S60-S72 VanDerWaalsContact O-CA 3.28Å; S60-S72 WeakPolarHBondContact O-CA 3.5Å; S72-A79 CarbonylContact O-C 3.52Å; S72-A79 WeakPolarHBondContact O-CA 3.42Å; S72-S80 PolarHBondContact N-O 3.35Å; S72-S80 PolarHBondContact O-N 3.23Å
73	G	96.9	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.2	173.6	0	0	0	0	0	111.2	V58 H59 S60	V58-G73 WeakPolarHBondContact CG1-O 3.47Å; H59-G73 PolarHBondContact N-O 3.24Å; S60-G73 PolarHBondContact N-O 3.16Å; S60-G73 PolarHBondContact O-N 3.04Å
74	S	96.1	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.8	-172.2	173.6	0	0	0	0	113.8	H54 A56 K57 D76 K77 T78 V102	H54-S74 WeakPolarHBondContact CB-OG 3.42Å; H54-S74 VanDerWaalsContact ND1-CB 3.3Å; H54-S74 WeakPolarHBondContact ND1-CB 3.27Å; A56-S74 PolarHBondContact O-OG 2.81Å; A56-S74 VanDerWaalsContact O-OG 3.07Å; K57-S74 VanDerWaalsContact O-CA 3.29Å; K57-S74 WeakPolarHBondContact O-CA 3.4Å; K57-S74 VanDerWaalsContact O-CB 3.31Å; K57-S74 WeakPolarHBondContact O-CB 3.5Å; K57-S74 PolarHBondContact O-OG 3.26Å; S74-D76 WeakPolarHBondContact CB-OD1 3.33Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 PolarHBondContact OG-N 3.09Å; S74-D76 VanDerWaalsContact OG-N 3.12Å; S74-D76 PolarHBondContact OG-OD1 3.28Å; S74-K77 PolarHBondContact O-N 2.88Å; S74-T78 PolarHBondContact N-O 3Å; S74-V102 PolarHBondContact O-N 2.95Å
75	F	95.2	Very high	96	Very high	104 Å²	104	33.1 Å²	33.1	46%	0.456	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.1	166.2	-167.7	-101.2	0	0	0	113.6	A56 K57 H59 K77	A56-F75 HydrophobicContact CB-CB 3.98Å; A56-F75 HydrophobicContact CB-CD1 4.2Å; K57-F75 HydrophobicContact CB-CB 4.48Å; K57-F75 PolarHBondContact O-N 2.91Å; H59-F75 AromaticContact CE1-CD2 3.89Å; F75-K77 PolarHBondContact O-N 2.87Å
76	D	94.3	Very high	95.4	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.171	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	7.6	175.8	74.5	8.1	0	0	0	114.5	H54 S55 A56 S74 T78	H54-D76 WeakPolarHBondContact CA-OD2 3.25Å; H54-D76 VanDerWaalsContact CB-OD2 3.26Å; H54-D76 WeakPolarHBondContact CB-OD2 3.14Å; H54-D76 IonicContact CE1-OD1 3.95Å; H54-D76 IonicContact CG-OD2 2.69Å; H54-D76 IonicContact ND1-OD1 3.47Å; H54-D76 PolarHBondContact ND1-OD1 2.89Å; H54-D76 IonicContact ND1-OD2 3.77Å; H54-D76 PolarHBondContact ND1-OD2 3.44Å; H54-D76 VanDerWaalsContact ND1-OD2 3.07Å; S55-D76 PolarHBondContact N-OD2 2.99Å; A56-D76 HydrophobicContact CB-CB 3.89Å; S74-D76 WeakPolarHBondContact CB-OD1 3.33Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 PolarHBondContact OG-N 3.09Å; S74-D76 VanDerWaalsContact OG-N 3.12Å; S74-D76 PolarHBondContact OG-OD1 3.28Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.37Å; D76-T78 PolarHBondContact OD1-N 2.86Å; D76-T78 PolarHBondContact OD1-OG1 2.84Å; D76-T78 PolarHBondContact OD2-OG1 3.46Å
77	K	96.3	Very high	94.7	Very high	90 Å²	90	40.3 Å²	40.3	39%	0.391	18%	0.178	S	C	.	.	S	Bend	trans	68.8	17.3	177.1	-38.7	-174.7	174.6	-166.6	0	113.5	S74 F75 H98 G99 D100	S74-K77 PolarHBondContact O-N 2.88Å; F75-K77 PolarHBondContact O-N 2.87Å; K77-H98 HydrophobicContact CB-CB 4.43Å; K77-G99 WeakPolarHBondContact CD-O 3.41Å; K77-G99 WeakPolarHBondContact CE-O 3.44Å; K77-G99 PolarHBondContact NZ-O 3.22Å; K77-D100 WeakPolarHBondContact CA-O 3.46Å; K77-D100 VanDerWaalsContact CB-O 3.31Å; K77-D100 WeakPolarHBondContact CB-O 3.5Å; K77-D100 WeakPolarHBondContact CG-O 3.19Å
78	T	96.7	Very high	94.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.8	179.4	75.1	0	0	0	0	112.1	H54 S74 D76 N94 Y95 R96	H54-T78 PolarHBondContact CE1-O 2.86Å; H54-T78 PolarHBondContact CE1-OG1 2.94Å; H54-T78 VanDerWaalsContact CE1-OG1 3.23Å; H54-T78 PolarHBondContact ND1-OG1 3.32Å; S74-T78 PolarHBondContact N-O 3Å; D76-T78 VanDerWaalsContact CG-OG1 3.27Å; D76-T78 PolarHBondContact O-N 2.93Å; D76-T78 VanDerWaalsContact OD1-CB 3.32Å; D76-T78 WeakPolarHBondContact OD1-CB 3.37Å; D76-T78 PolarHBondContact OD1-N 2.86Å; D76-T78 PolarHBondContact OD1-OG1 2.84Å; D76-T78 PolarHBondContact OD2-OG1 3.46Å; T78-N94 WeakPolarHBondContact CB-OD1 3.26Å; T78-Y95 WeakPolarHBondContact CA-O 3.18Å; T78-Y95 WeakPolarHBondContact CB-O 3.31Å; T78-R96 HydrophobicContact CG2-CG 3.95Å
79	A	97.8	Very high	94.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.1	166.7	0	0	0	0	0	109.2	S72 Y95 L105 F115 T117	S72-A79 CarbonylContact O-C 3.52Å; S72-A79 WeakPolarHBondContact O-CA 3.42Å; A79-Y95 PolarHBondContact N-O 2.84Å; A79-Y95 WeakPolarHBondContact O-CD2 3.5Å; A79-Y95 PolarHBondContact O-N 3.06Å; A79-L105 HydrophobicContact CB-CD1 4.12Å; A79-F115 HydrophobicContact CB-CE2 4.29Å; A79-T117 HydrophobicContact CB-CG2 4.05Å
80	S	97.3	Very high	94.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138	176.5	-67.6	0	0	0	0	110.1	A53 H54 A71 S72 K91	A53-S80 PolarHBondContact O-OG 3.29Å; H54-S80 PolarHBondContact CE1-OG 2.85Å; H54-S80 VanDerWaalsContact CE1-OG 3.31Å; H54-S80 PolarHBondContact NE2-OG 3.38Å; A71-S80 CarbonylContact C-O 3.56Å; A71-S80 VanDerWaalsContact CA-O 3.28Å; A71-S80 WeakPolarHBondContact CA-O 3.44Å; S72-S80 PolarHBondContact N-O 3.35Å; S72-S80 PolarHBondContact O-N 3.23Å; S80-K91 WeakPolarHBondContact OG-CE 3.43Å; S80-K91 PolarHBondContact OG-NZ 2.77Å
81	V	98	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.9	173.7	175.3	0	0	0	0	109.5	R69 L70 A71 E92 N93 Y95 W107 F115 V129	R69-V81 HydrophobicContact CB-CG1 4.24Å; R69-V81 HydrophobicContact CG-CG1 4.4Å; L70-V81 CarbonylContact O-C 3.47Å; L70-V81 WeakPolarHBondContact O-CA 3.43Å; A71-V81 HydrophobicContact CB-CG2 3.99Å; V81-E92 PolarHBondContact O-N 2.89Å; V81-N93 PolarHBondContact N-O 3.43Å; V81-N93 PolarHBondContact O-N 3.5Å; V81-Y95 HydrophobicContact CB-CE2 4.02Å; V81-Y95 HydrophobicContact CG2-CD2 4.01Å; V81-Y95 HydrophobicContact CG2-CE2 3.47Å; V81-Y95 VanDerWaalsContact CG2-CE2 3.47Å; V81-W107 HydrophobicContact CG1-CH2 4.11Å; V81-W107 HydrophobicContact CG1-CZ2 4.21Å; V81-W107 HydrophobicContact CG2-CZ2 4.44Å; V81-F115 HydrophobicContact CG2-CE1 4.01Å; V81-F115 HydrophobicContact CG2-CZ 4.08Å; V81-V129 HydrophobicContact CG1-CG1 4.36Å
82	F	97.5	Very high	93.8	Very high	4 Å²	4	48 Å²	48	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.6	-179.2	-58.8	-92.3	0	0	0	110.6	A53 R69 L70 L89 V90 K91	A53-F82 HydrophobicContact CB-CE2 3.86Å; A53-F82 HydrophobicContact CB-CZ 3.51Å; R69-F82 CarbonylContact C-O 3.54Å; R69-F82 WeakPolarHBondContact CA-O 3.46Å; L70-F82 HydrophobicContact CB-CB 4.43Å; L70-F82 PolarHBondContact N-O 2.6Å; L70-F82 PolarHBondContact O-N 3.43Å; F82-L89 HydrophobicContact CB-CB 4.06Å; F82-L89 HydrophobicContact CB-CD2 4.02Å; F82-L89 HydrophobicContact CB-CG 4.48Å; F82-L89 HydrophobicContact CD1-CB 4.24Å; F82-L89 HydrophobicContact CG-CB 4.37Å; F82-V90 CarbonylContact C-O 3.55Å; F82-V90 WeakPolarHBondContact CA-O 3.42Å; F82-K91 HydrophobicContact CD1-CB 3.83Å; F82-K91 HydrophobicContact CD1-CG 4.26Å; F82-K91 HydrophobicContact CE1-CB 3.69Å; F82-K91 HydrophobicContact CE1-CD 4.12Å; F82-K91 HydrophobicContact CE1-CG 3.89Å; F82-K91 HydrophobicContact CZ-CD 4.36Å; F82-K91 HydrophobicContact CZ-CG 4.38Å
83	L	96.5	Very high	93.7	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.3	167.8	-173.2	67.1	0	0	0	109.9	R68 R69 E85 L89 V90 E92	R68-L83 HydrophobicContact CB-CD1 4.3Å; R69-L83 HydrophobicContact CG-CD1 4.28Å; L83-E85 HydrophobicContact CD2-CG 3.8Å; L83-E85 WeakPolarHBondContact CD2-OE1 3.49Å; L83-E85 HydrophobicContact CG-CG 4.04Å; L83-L89 WeakPolarHBondContact O-CA 2.99Å; L83-V90 PolarHBondContact N-O 2.69Å; L83-V90 PolarHBondContact O-N 3.46Å; L83-E92 HydrophobicContact CB-CG 3.68Å
84	L	94.3	Very high	93.6	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.5	171.8	-178.8	69.2	0	0	0	110.2	W63 R68 L89 L321 L344	W63-L84 HydrophobicContact CH2-CB 4.02Å; W63-L84 HydrophobicContact CH2-CD1 4.27Å; W63-L84 HydrophobicContact CH2-CD2 3.67Å; W63-L84 HydrophobicContact CH2-CG 4.18Å; W63-L84 HydrophobicContact CZ3-CB 3.99Å; W63-L84 HydrophobicContact CZ3-CD2 3.94Å; W63-L84 HydrophobicContact CZ3-CG 4.49Å; R68-L84 PolarHBondContact O-N 2.79Å; L84-L89 HydrophobicContact CB-CD2 4.14Å; L84-L89 HydrophobicContact CD1-CD2 4Å; L84-L321 HydrophobicContact CD2-CD1 3.91Å; L84-L344 HydrophobicContact CD1-CD2 3.89Å
85	E	89.6	Confident	93.7	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.9	174.3	-65.7	-166.3	166.2	0	0	111.2	L83 D87 R88	L83-E85 HydrophobicContact CD2-CG 3.8Å; L83-E85 WeakPolarHBondContact CD2-OE1 3.49Å; L83-E85 HydrophobicContact CG-CG 4.04Å; E85-D87 PolarHBondContact O-N 3.41Å; E85-R88 PolarHBondContact N-O 2.85Å; E85-R88 PolarHBondContact O-N 2.84Å
86	K	81.2	Confident	93.8	Very high	205 Å²	205	57.1 Å²	57.1	89%	0.891	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.8	45.5	173.8	-63	-176.8	178.9	179.3	0	113.5
87	D	80.6	Confident	93.8	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.128	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	24.8	177.9	-51.3	-34.1	0	0	0	116.2	R49 E85 R319 L347	R49-D87 PolarHBondContact NH1-O 3.02Å; E85-D87 PolarHBondContact O-N 3.41Å; D87-R319 IonicContact OD1-CZ 3.58Å; D87-R319 VanDerWaalsContact OD1-CZ 3.29Å; D87-R319 IonicContact OD1-NH1 3.62Å; D87-R319 PolarHBondContact OD1-NH1 2.85Å; D87-R319 IonicContact OD1-NH2 2.93Å; D87-R319 PolarHBondContact OD1-NH2 2.74Å; D87-R319 IonicContact OD2-NH2 3.62Å; D87-L347 HydrophobicContact CB-CD2 3.52Å; D87-L347 HydrophobicContact CB-CG 4.49Å; D87-L347 WeakPolarHBondContact O-CD1 3.32Å
88	R	86.7	Confident	93.8	Very high	158 Å²	158	54 Å²	54	60%	0.596	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	169.3	-172.9	-177.7	178.9	-169.7	0.9	110.6	F51 E85	F51-R88 HydrophobicContact CE1-CG 3.99Å; F51-R88 HydrophobicContact CZ-CG 4.49Å; E85-R88 PolarHBondContact N-O 2.85Å; E85-R88 PolarHBondContact O-N 2.84Å
89	L	92.7	Very high	93.8	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127	168.4	-66.1	174.1	0	0	0	110.2	F51 W63 L70 F82 L83 L84 L344	F51-L89 HydrophobicContact CD1-CB 3.73Å; F51-L89 HydrophobicContact CD2-CB 4.14Å; F51-L89 HydrophobicContact CD2-CD1 3.69Å; F51-L89 HydrophobicContact CD2-CG 4.25Å; F51-L89 HydrophobicContact CE1-CB 3.67Å; F51-L89 HydrophobicContact CE1-CG 4.47Å; F51-L89 WeakPolarHBondContact CE1-O 3.47Å; F51-L89 HydrophobicContact CE2-CB 4.09Å; F51-L89 HydrophobicContact CE2-CD1 3.85Å; F51-L89 HydrophobicContact CE2-CG 4.04Å; F51-L89 HydrophobicContact CG-CB 3.97Å; F51-L89 HydrophobicContact CG-CD1 4.14Å; F51-L89 HydrophobicContact CZ-CB 3.86Å; F51-L89 HydrophobicContact CZ-CD1 4.44Å; F51-L89 HydrophobicContact CZ-CG 4.16Å; W63-L89 HydrophobicContact CH2-CD2 4.35Å; L70-L89 HydrophobicContact CB-CD2 4.17Å; L70-L89 HydrophobicContact CD2-CD1 3.52Å; L70-L89 HydrophobicContact CD2-CD2 4.27Å; F82-L89 HydrophobicContact CB-CB 4.06Å; F82-L89 HydrophobicContact CB-CD2 4.02Å; F82-L89 HydrophobicContact CB-CG 4.48Å; F82-L89 HydrophobicContact CD1-CB 4.24Å; F82-L89 HydrophobicContact CG-CB 4.37Å; L83-L89 WeakPolarHBondContact O-CA 2.99Å; L84-L89 HydrophobicContact CB-CD2 4.14Å; L84-L89 HydrophobicContact CD1-CD2 4Å; L89-L344 HydrophobicContact CG-CD2 4.39Å
90	V	94.6	Very high	93.8	Very high	57 Å²	57	58.8 Å²	58.8	35%	0.345	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	175	-178.6	0	0	0	0	107.9	F82 L83 E92	F82-V90 CarbonylContact C-O 3.55Å; F82-V90 WeakPolarHBondContact CA-O 3.42Å; L83-V90 PolarHBondContact N-O 2.69Å; L83-V90 PolarHBondContact O-N 3.46Å; V90-E92 PolarHBondContact O-N 2.67Å
91	K	94.9	Very high	93.7	Very high	87 Å²	87	59.3 Å²	59.3	38%	0.378	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	115.9	-179.5	-168.1	165.3	-174.4	160.3	0	109.6	A53 S80 F82	A53-K91 PolarHBondContact O-NZ 2.84Å; S80-K91 WeakPolarHBondContact OG-CE 3.43Å; S80-K91 PolarHBondContact OG-NZ 2.77Å; F82-K91 HydrophobicContact CD1-CB 3.83Å; F82-K91 HydrophobicContact CD1-CG 4.26Å; F82-K91 HydrophobicContact CE1-CB 3.69Å; F82-K91 HydrophobicContact CE1-CD 4.12Å; F82-K91 HydrophobicContact CE1-CG 3.89Å; F82-K91 HydrophobicContact CZ-CD 4.36Å; F82-K91 HydrophobicContact CZ-CG 4.38Å
92	E	94.8	Very high	93.7	Very high	64 Å²	64	59.3 Å²	59.3	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-54.5	175.4	-73.6	-170	147.7	0	0	110.4	R69 V81 L83 V90	R69-E92 WeakPolarHBondContact CD-OE2 3.37Å; R69-E92 IonicContact CZ-OE2 3.75Å; R69-E92 IonicContact NE-OE1 2.75Å; R69-E92 IonicContact NE-OE2 2.69Å; R69-E92 PolarHBondContact NE-OE2 2.85Å; R69-E92 IonicContact NH2-OE1 3.82Å; R69-E92 IonicContact NH2-OE2 3.85Å; V81-E92 PolarHBondContact O-N 2.89Å; L83-E92 HydrophobicContact CB-CG 3.68Å; V90-E92 PolarHBondContact O-N 2.67Å
93	N	95.4	Very high	93.6	Very high	43 Å²	43	60.6 Å²	60.6	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.1	-168.9	-70.5	-53.7	0	0	0	112.4	V81 Y95 T132	V81-N93 PolarHBondContact N-O 3.43Å; V81-N93 PolarHBondContact O-N 3.5Å; N93-Y95 HydrophobicContact CB-CD2 4.2Å; N93-Y95 HydrophobicContact CB-CE2 3.43Å; N93-Y95 VanDerWaalsContact CB-CE2 3.43Å; N93-Y95 PolarHBondContact ND2-OH 2.98Å; N93-T132 WeakPolarHBondContact ND2-CG2 3.46Å; N93-T132 WeakPolarHBondContact OD1-CG2 3.33Å
94	N	96.1	Very high	93.6	Very high	66 Å²	66	60.6 Å²	60.6	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	106.5	170.5	-171.1	-9.8	0	0	0	109.1	T78	T78-N94 WeakPolarHBondContact CB-OD1 3.26Å
95	Y	97.4	Very high	93.7	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.7	-176.9	-61.9	-89.3	0	0	0	110	T78 A79 V81 N93 F115 W127 V129	T78-Y95 WeakPolarHBondContact CA-O 3.18Å; T78-Y95 WeakPolarHBondContact CB-O 3.31Å; A79-Y95 PolarHBondContact N-O 2.84Å; A79-Y95 WeakPolarHBondContact O-CD2 3.5Å; A79-Y95 PolarHBondContact O-N 3.06Å; V81-Y95 HydrophobicContact CB-CE2 4.02Å; V81-Y95 HydrophobicContact CG2-CD2 4.01Å; V81-Y95 HydrophobicContact CG2-CE2 3.47Å; V81-Y95 VanDerWaalsContact CG2-CE2 3.47Å; N93-Y95 HydrophobicContact CB-CD2 4.2Å; N93-Y95 HydrophobicContact CB-CE2 3.43Å; N93-Y95 VanDerWaalsContact CB-CE2 3.43Å; N93-Y95 PolarHBondContact ND2-OH 2.98Å; Y95-F115 HydrophobicContact CD1-CZ 4.43Å; Y95-F115 HydrophobicContact CD2-CE1 4.38Å; Y95-F115 AromaticContact CD2-CZ 3.69Å; Y95-F115 HydrophobicContact CD2-CZ 3.69Å; Y95-F115 HydrophobicContact CE1-CZ 4.46Å; Y95-F115 AromaticContact CE2-CE1 4Å; Y95-F115 HydrophobicContact CE2-CE1 4Å; Y95-F115 AromaticContact CE2-CZ 3.77Å; Y95-F115 HydrophobicContact CE2-CZ 3.77Å; Y95-F115 HydrophobicContact CG-CZ 4.06Å; Y95-W127 HydrophobicContact CD1-CD2 4.03Å; Y95-W127 AromaticContact CD1-CE3 3.38Å; Y95-W127 HydrophobicContact CD1-CE3 3.38Å; Y95-W127 AromaticContact CD1-CZ3 3.76Å; Y95-W127 HydrophobicContact CD1-CZ3 3.76Å; Y95-W127 HydrophobicContact CE1-CE3 4.14Å; Y95-W127 HydrophobicContact CG-CD2 4.37Å; Y95-W127 HydrophobicContact CG-CE3 4.07Å; Y95-W127 HydrophobicContact CG-CZ3 4.34Å; Y95-V129 WeakPolarHBondContact OH-CA 3.36Å
96	R	96.6	Very high	94.1	Very high	175 Å²	175	55.3 Å²	55.3	66%	0.66	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.5	177.2	-62.8	-174.7	177.9	-88.7	0.2	109.8	T78 W127	T78-R96 HydrophobicContact CG2-CG 3.95Å; R96-W127 WeakPolarHBondContact O-CH2 3.48Å
97	G	95.1	Very high	94.9	Very high	39 Å²	39	46.3 Å²	46.3	40%	0.402	24%	0.238	S	C	.	.			trans	148.8	-18.6	172.8	0	0	0	0	0	114	R125	G97-R125 PolarHBondContact O-NH2 3.13Å
98	H	97.2	Very high	95.7	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.079	24%	0.236	C	C	.	.			trans	-66	143.4	174.1	-79.9	-67.1	0	0	0	111.9	K77 V102 T117 S119 D121 R125	K77-H98 HydrophobicContact CB-CB 4.43Å; H98-V102 HydrophobicContact CB-CG2 4.46Å; H98-T117 PolarHBondContact NE2-OG1 3.49Å; H98-S119 VanDerWaalsContact CE1-CB 3.48Å; H98-S119 WeakPolarHBondContact CE1-CB 3.33Å; H98-S119 WeakPolarHBondContact ND1-CB 3.37Å; H98-D121 VanDerWaalsContact CA-OD2 3.26Å; H98-D121 WeakPolarHBondContact CA-OD2 3.42Å; H98-D121 IonicContact CG-OD2 3.89Å; H98-D121 IonicContact ND1-OD1 2.7Å; H98-D121 IonicContact ND1-OD2 2.85Å; H98-D121 PolarHBondContact ND1-OD2 2.85Å; H98-R125 VanDerWaalsContact CE1-CD 3.46Å; H98-R125 WeakPolarHBondContact CE1-CD 3.4Å
99	G	96.6	Very high	96.1	Very high	49 Å²	49	41.1 Å²	41.1	51%	0.505	22%	0.224	S	C	.	.	S	Bend	trans	-82.8	-16.4	175.5	0	0	0	0	0	113.2	K77 D121	K77-G99 WeakPolarHBondContact CD-O 3.41Å; K77-G99 WeakPolarHBondContact CE-O 3.44Å; K77-G99 PolarHBondContact NZ-O 3.22Å; G99-D121 PolarHBondContact N-OD2 2.89Å
100	D	97.2	Very high	96.2	Very high	55 Å²	55	45.1 Å²	45.1	29%	0.294	25%	0.252	S	S	.	.	S	Bend	trans	-146.3	-176.6	-176.9	-147.5	-6.4	0	0	0	112.4	K77 S119 D121	K77-D100 WeakPolarHBondContact CA-O 3.46Å; K77-D100 VanDerWaalsContact CB-O 3.31Å; K77-D100 WeakPolarHBondContact CB-O 3.5Å; K77-D100 WeakPolarHBondContact CG-O 3.19Å; D100-S119 PolarHBondContact O-OG 3.13Å; D100-S119 VanDerWaalsContact O-OG 3.14Å; D100-D121 HydrophobicContact CB-CB 3.9Å
101	S	95.5	Very high	96.3	Very high	11 Å²	11	45 Å²	45	8%	0.077	25%	0.25	C	C	.	.			trans	-52.1	144	179.3	59.9	0	0	0	0	112.6	D103 S119 G120	S101-D103 WeakPolarHBondContact CB-OD1 3.39Å; S101-D103 PolarHBondContact OG-OD1 3.3Å; S101-D103 PolarHBondContact OG-OD2 2.75Å; S101-S119 WeakPolarHBondContact O-CA 3.37Å; S101-S119 WeakPolarHBondContact O-CB 3.06Å; S101-S119 PolarHBondContact O-OG 3.23Å; S101-G120 PolarHBondContact O-N 2.94Å
102	V	97.3	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.3	169.8	-180	0	0	0	0	107.3	H59 S74 H98 T117 A118	H59-V102 WeakPolarHBondContact CB-O 3.4Å; H59-V102 PolarHBondContact ND1-O 3.06Å; S74-V102 PolarHBondContact O-N 2.95Å; H98-V102 HydrophobicContact CB-CG2 4.46Å; V102-T117 HydrophobicContact CG1-CG2 4.13Å; V102-A118 CarbonylContact C-O 3.59Å; V102-A118 WeakPolarHBondContact CA-O 3.37Å
103	D	95.3	Very high	96.4	Very high	30 Å²	30	41.8 Å²	41.8	16%	0.16	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-31.2	-169.9	-64.2	-28.6	0	0	0	112.4	H59 S101 A118	H59-D103 IonicContact CE1-OD1 3.13Å; H59-D103 PolarHBondContact CE1-OD1 3.17Å; H59-D103 IonicContact ND1-OD1 2.67Å; H59-D103 PolarHBondContact ND1-OD1 2.84Å; S101-D103 WeakPolarHBondContact CB-OD1 3.39Å; S101-D103 PolarHBondContact OG-OD1 3.3Å; S101-D103 PolarHBondContact OG-OD2 2.75Å; D103-A118 PolarHBondContact N-O 2.94Å
104	Q	96.1	Very high	96.5	Very high	40 Å²	40	41.2 Å²	41.2	19%	0.187	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.1	175.9	-170.7	64.6	-91.2	0	0	111.5	S60 A118 I145 I147	S60-Q104 PolarHBondContact OG-OE1 2.96Å; Q104-A118 HydrophobicContact CB-CB 4.32Å; Q104-A118 PolarHBondContact O-N 3.15Å; Q104-I145 VanDerWaalsContact CB-O 3.25Å; Q104-I145 WeakPolarHBondContact CB-O 3.43Å; Q104-I147 HydrophobicContact CB-CG1 3.91Å; Q104-I147 HydrophobicContact CG-CG1 3.67Å
105	L	97.2	Very high	96.6	Very high	3 Å²	3	38 Å²	38	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.3	177.9	-172.7	156.1	0	0	0	109.4	S60 A62 A71 A79 F115 V116 T117	S60-L105 PolarHBondContact OG-N 3.19Å; S60-L105 PolarHBondContact OG-O 3.2Å; A62-L105 HydrophobicContact CB-CD2 3.91Å; A71-L105 HydrophobicContact CB-CD1 3.7Å; A71-L105 HydrophobicContact CB-CD2 3.53Å; A71-L105 HydrophobicContact CB-CG 4.33Å; A79-L105 HydrophobicContact CB-CD1 4.12Å; L105-F115 HydrophobicContact CD1-CD2 3.92Å; L105-F115 HydrophobicContact CD1-CE2 4.1Å; L105-F115 HydrophobicContact CD2-CD2 4.28Å; L105-F115 HydrophobicContact CG-CD2 4.07Å; L105-V116 WeakPolarHBondContact CA-O 3.27Å; L105-T117 HydrophobicContact CB-CG2 4.45Å; L105-T117 HydrophobicContact CD1-CG2 3.72Å; L105-T117 HydrophobicContact CG-CG2 3.96Å
106	C	96.9	Very high	96.6	Very high	21 Å²	21	37.5 Å²	37.5	14%	0.142	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.3	169.7	60.7	0	0	0	0	112.1	F115 V116 W149	C106-F115 WeakPolarHBondContact O-CA 3.41Å; C106-V116 PolarHBondContact N-O 2.68Å; C106-V116 VanDerWaalsContact N-O 3.08Å; C106-V116 PolarHBondContact O-N 2.89Å; C106-W149 VanDerWaalsContact SG-CD1 3.52Å
107	W	98.2	Very high	96.7	Very high	16 Å²	16	29.2 Å²	29.2	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	152.6	171	-72.1	87	0	0	0	110.6	A62 W63 R69 A71 V81 P112 F115 V129	A62-W107 VanDerWaalsContact C-CD1 3.45Å; A62-W107 VanDerWaalsContact O-CD1 3.23Å; A62-W107 PolarHBondContact O-NE1 2.92Å; W63-W107 WeakPolarHBondContact O-CB 3.4Å; R69-W107 HydrophobicContact CB-CH2 3.65Å; R69-W107 HydrophobicContact CB-CZ2 3.72Å; R69-W107 HydrophobicContact CG-CH2 4.42Å; A71-W107 HydrophobicContact CB-CZ2 3.64Å; V81-W107 HydrophobicContact CG1-CH2 4.11Å; V81-W107 HydrophobicContact CG1-CZ2 4.21Å; V81-W107 HydrophobicContact CG2-CZ2 4.44Å; W107-P112 WeakPolarHBondContact CZ3-O 3.33Å; W107-F115 HydrophobicContact CD2-CB 3.87Å; W107-F115 HydrophobicContact CE3-CB 3.88Å; W107-F115 HydrophobicContact CE3-CD1 4.45Å; W107-F115 HydrophobicContact CG-CB 4.19Å; W107-F115 HydrophobicContact CH2-CD1 4.25Å; W107-F115 HydrophobicContact CZ3-CB 4.38Å; W107-F115 HydrophobicContact CZ3-CD1 4.11Å; W107-V129 HydrophobicContact CH2-CG2 3.67Å; W107-V129 HydrophobicContact CZ3-CG2 3.67Å
108	H	97.7	Very high	96.8	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.102	17%	0.168	C	C	.	.			trans	-64.4	136	171.7	-177.3	-65.5	0	0	0	109.9	S110 N111 L114 W149 G153	H108-S110 VanDerWaalsContact C-N 3.35Å; H108-S110 PolarHBondContact ND1-N 2.86Å; H108-S110 PolarHBondContact O-N 3.23Å; H108-N111 HydrophobicContact CB-CB 4.16Å; H108-N111 WeakPolarHBondContact ND1-CB 3.32Å; H108-N111 PolarHBondContact ND1-N 3.22Å; H108-L114 HydrophobicContact CB-CB 3.8Å; H108-L114 WeakPolarHBondContact CB-O 3.46Å; H108-L114 PolarHBondContact N-O 2.87Å; H108-W149 HydrophobicContact CB-CZ2 4.33Å; H108-W149 AromaticContact CD2-CH2 3.59Å; H108-W149 AromaticContact CD2-CZ2 3.76Å; H108-W149 AromaticContact CD2-CZ3 3.91Å; H108-G153 PolarHBondContact NE2-O 3.03Å
109	P	95.2	Very high	96.8	Very high	51 Å²	51	26.5 Å²	26.5	33%	0.331	16%	0.164	S	C	.	.	S	Bend	trans	-64.1	-35.1	-170.6	22.6	-34.4	0	0	0	113.8	C65 W149 P151	C65-P109 WeakPolarHBondContact CB-O 3.48Å; P109-W149 HydrophobicContact CG-CB 4.17Å; P109-P151 WeakPolarHBondContact CG-O 3.15Å
110	S	95.5	Very high	96.8	Very high	90 Å²	90	24.4 Å²	24.4	63%	0.629	14%	0.142	S	C	*	.	S	Bend	trans	-111.2	-12.9	-179	-64.5	0	0	0	0	115.8	H108	H108-S110 VanDerWaalsContact C-N 3.35Å; H108-S110 PolarHBondContact ND1-N 2.86Å; H108-S110 PolarHBondContact O-N 3.23Å
111	N	96	Very high	96.7	Very high	56 Å²	56	23.5 Å²	23.5	30%	0.299	14%	0.138	S	C	.	.			trans	-115	111	-173.5	-174.7	-21.9	0	0	0	108.8	H108 D113 L114	H108-N111 HydrophobicContact CB-CB 4.16Å; H108-N111 WeakPolarHBondContact ND1-CB 3.32Å; H108-N111 PolarHBondContact ND1-N 3.22Å; N111-D113 PolarHBondContact O-N 2.97Å; N111-D113 PolarHBondContact OD1-N 3.3Å; N111-L114 HydrophobicContact CB-CB 4.44Å; N111-L114 HydrophobicContact CB-CD1 4.3Å; N111-L114 HydrophobicContact CB-CG 4.42Å; N111-L114 VanDerWaalsContact ND2-CD1 3.3Å; N111-L114 WeakPolarHBondContact ND2-CD1 3.31Å; N111-L114 PolarHBondContact O-N 2.92Å
112	P	95.9	Very high	96.7	Very high	36 Å²	36	27.7 Å²	27.7	23%	0.234	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.1	-173.4	30	-36.3	0	0	0	114.1	D66 W107	D66-P112 HydrophobicContact CB-CB 3.97Å; D66-P112 VanDerWaalsContact CG-CB 3.49Å; W107-P112 WeakPolarHBondContact CZ3-O 3.33Å
113	D	95.6	Very high	96.7	Very high	47 Å²	47	28.3 Å²	28.3	25%	0.251	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-2	-177.4	-66.8	-44.3	0	0	0	113.4	R69 N111 V129	R69-D113 IonicContact CZ-OD1 3.17Å; R69-D113 IonicContact NH1-OD1 3.55Å; R69-D113 PolarHBondContact NH1-OD1 2.98Å; N111-D113 PolarHBondContact O-N 2.97Å; N111-D113 PolarHBondContact OD1-N 3.3Å; D113-V129 WeakPolarHBondContact O-CG2 3.3Å; D113-V129 PolarHBondContact O-N 3.22Å
114	L	97.2	Very high	96.8	Very high	30 Å²	30	27 Å²	27	16%	0.157	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.4	-177.1	-65.7	-178.1	0	0	0	111.9	H108 N111 W127 D128 I135	H108-L114 HydrophobicContact CB-CB 3.8Å; H108-L114 WeakPolarHBondContact CB-O 3.46Å; H108-L114 PolarHBondContact N-O 2.87Å; N111-L114 HydrophobicContact CB-CB 4.44Å; N111-L114 HydrophobicContact CB-CD1 4.3Å; N111-L114 HydrophobicContact CB-CG 4.42Å; N111-L114 VanDerWaalsContact ND2-CD1 3.3Å; N111-L114 WeakPolarHBondContact ND2-CD1 3.31Å; N111-L114 PolarHBondContact O-N 2.92Å; L114-W127 WeakPolarHBondContact CA-O 3.45Å; L114-W127 WeakPolarHBondContact CD2-O 3.4Å; L114-D128 HydrophobicContact CD2-CB 4.08Å; L114-I135 HydrophobicContact CD2-CD1 3.39Å
115	F	98.1	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.4	170.2	69.5	-82.4	0	0	0	110.8	A79 V81 Y95 L105 C106 W107 T117 W127 V129	A79-F115 HydrophobicContact CB-CE2 4.29Å; V81-F115 HydrophobicContact CG2-CE1 4.01Å; V81-F115 HydrophobicContact CG2-CZ 4.08Å; Y95-F115 HydrophobicContact CD1-CZ 4.43Å; Y95-F115 HydrophobicContact CD2-CE1 4.38Å; Y95-F115 AromaticContact CD2-CZ 3.69Å; Y95-F115 HydrophobicContact CD2-CZ 3.69Å; Y95-F115 HydrophobicContact CE1-CZ 4.46Å; Y95-F115 AromaticContact CE2-CE1 4Å; Y95-F115 HydrophobicContact CE2-CE1 4Å; Y95-F115 AromaticContact CE2-CZ 3.77Å; Y95-F115 HydrophobicContact CE2-CZ 3.77Å; Y95-F115 HydrophobicContact CG-CZ 4.06Å; L105-F115 HydrophobicContact CD1-CD2 3.92Å; L105-F115 HydrophobicContact CD1-CE2 4.1Å; L105-F115 HydrophobicContact CD2-CD2 4.28Å; L105-F115 HydrophobicContact CG-CD2 4.07Å; C106-F115 WeakPolarHBondContact O-CA 3.41Å; W107-F115 HydrophobicContact CD2-CB 3.87Å; W107-F115 HydrophobicContact CE3-CB 3.88Å; W107-F115 HydrophobicContact CE3-CD1 4.45Å; W107-F115 HydrophobicContact CG-CB 4.19Å; W107-F115 HydrophobicContact CH2-CD1 4.25Å; W107-F115 HydrophobicContact CZ3-CB 4.38Å; W107-F115 HydrophobicContact CZ3-CD1 4.11Å; F115-T117 HydrophobicContact CD2-CG2 3.98Å; F115-T117 HydrophobicContact CE2-CG2 3.8Å; F115-W127 HydrophobicContact CD1-CB 3.89Å; F115-W127 HydrophobicContact CD2-CB 4.22Å; F115-W127 AromaticContact CD2-CD1 3.87Å; F115-W127 HydrophobicContact CD2-CG 4.33Å; F115-W127 HydrophobicContact CE1-CB 3.38Å; F115-W127 HydrophobicContact CE1-CG 4.13Å; F115-W127 HydrophobicContact CE2-CB 3.77Å; F115-W127 AromaticContact CE2-CD1 3.37Å; F115-W127 AromaticContact CE2-CG 3.65Å; F115-W127 HydrophobicContact CE2-CG 3.65Å; F115-W127 HydrophobicContact CG-CB 4.28Å; F115-W127 HydrophobicContact CZ-CB 3.32Å; F115-W127 AromaticContact CZ-CD1 3.77Å; F115-W127 HydrophobicContact CZ-CD2 4.36Å; F115-W127 AromaticContact CZ-CG 3.53Å; F115-W127 HydrophobicContact CZ-CG 3.53Å; F115-W127 PolarHBondContact N-O 2.97Å; F115-W127 PolarHBondContact O-N 3.2Å; F115-V129 HydrophobicContact CD1-CG2 3.61Å; F115-V129 HydrophobicContact CE1-CG2 3.54Å
116	V	98.2	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.9	-177	-177.5	0	0	0	0	108.8	L105 C106 I124 R125 I126 I147 W149 I156	L105-V116 WeakPolarHBondContact CA-O 3.27Å; C106-V116 PolarHBondContact N-O 2.68Å; C106-V116 VanDerWaalsContact N-O 3.08Å; C106-V116 PolarHBondContact O-N 2.89Å; V116-I124 HydrophobicContact CG1-CG2 3.22Å; V116-R125 WeakPolarHBondContact CA-O 3.43Å; V116-I126 HydrophobicContact CG2-CG1 4.17Å; V116-I126 HydrophobicContact CG2-CG2 4.39Å; V116-I147 HydrophobicContact CB-CD1 4.08Å; V116-I147 HydrophobicContact CG1-CD1 3.85Å; V116-I147 VanDerWaalsContact O-CD1 3.27Å; V116-I147 WeakPolarHBondContact O-CD1 3.41Å; V116-W149 HydrophobicContact CG2-CZ2 3.42Å; V116-W149 VanDerWaalsContact CG2-CZ2 3.42Å; V116-I156 HydrophobicContact CG1-CD1 4.31Å; V116-I156 HydrophobicContact CG1-CG2 4.43Å; V116-I156 HydrophobicContact CG2-CD1 3.78Å; V116-I156 HydrophobicContact CG2-CG1 4.42Å
117	T	98.2	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.8	175	54.9	0	0	0	0	110.7	A79 H98 V102 L105 F115 I124 R125 W127	A79-T117 HydrophobicContact CB-CG2 4.05Å; H98-T117 PolarHBondContact NE2-OG1 3.49Å; V102-T117 HydrophobicContact CG1-CG2 4.13Å; L105-T117 HydrophobicContact CB-CG2 4.45Å; L105-T117 HydrophobicContact CD1-CG2 3.72Å; L105-T117 HydrophobicContact CG-CG2 3.96Å; F115-T117 HydrophobicContact CD2-CG2 3.98Å; F115-T117 HydrophobicContact CE2-CG2 3.8Å; T117-I124 WeakPolarHBondContact O-CA 3.46Å; T117-R125 PolarHBondContact N-O 3.2Å; T117-R125 PolarHBondContact O-N 3.01Å; T117-W127 PolarHBondContact OG1-NE1 3.32Å
118	A	97.4	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.3	173.2	0	0	0	0	0	109.3	V102 D103 Q104 N144 I147	V102-A118 CarbonylContact C-O 3.59Å; V102-A118 WeakPolarHBondContact CA-O 3.37Å; D103-A118 PolarHBondContact N-O 2.94Å; Q104-A118 HydrophobicContact CB-CB 4.32Å; Q104-A118 PolarHBondContact O-N 3.15Å; A118-N144 HydrophobicContact CB-CB 3.97Å; A118-I147 HydrophobicContact CB-CB 4.3Å; A118-I147 HydrophobicContact CB-CD1 3.96Å; A118-I147 HydrophobicContact CB-CG1 3.92Å; A118-I147 HydrophobicContact CB-CG2 3.49Å; A118-I147 VanDerWaalsContact CB-CG2 3.49Å
119	S	97.4	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.8	179.7	176.4	0	0	0	0	112.3	H98 D100 S101 D121 K122 T123 N144	H98-S119 VanDerWaalsContact CE1-CB 3.48Å; H98-S119 WeakPolarHBondContact CE1-CB 3.33Å; H98-S119 WeakPolarHBondContact ND1-CB 3.37Å; D100-S119 PolarHBondContact O-OG 3.13Å; D100-S119 VanDerWaalsContact O-OG 3.14Å; S101-S119 WeakPolarHBondContact O-CA 3.37Å; S101-S119 WeakPolarHBondContact O-CB 3.06Å; S101-S119 PolarHBondContact O-OG 3.23Å; S119-D121 WeakPolarHBondContact CB-OD1 3.46Å; S119-D121 PolarHBondContact O-N 3.17Å; S119-D121 VanDerWaalsContact O-N 3.14Å; S119-D121 PolarHBondContact OG-N 3.18Å; S119-D121 PolarHBondContact OG-OD1 3.45Å; S119-K122 PolarHBondContact O-N 3.35Å; S119-T123 PolarHBondContact N-O 3.08Å; S119-N144 PolarHBondContact O-N 2.86Å; S119-N144 PolarHBondContact O-ND2 3.22Å
120	G	95.9	Very high	96.8	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.5	167.6	0	0	0	0	0	114.1	S101 K122	S101-G120 PolarHBondContact O-N 2.94Å; G120-K122 PolarHBondContact O-N 2.86Å
121	D	96.4	Very high	96.8	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.193	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	7.4	174.4	71.5	8.1	0	0	0	114.5	H98 G99 D100 S119 T123	H98-D121 VanDerWaalsContact CA-OD2 3.26Å; H98-D121 WeakPolarHBondContact CA-OD2 3.42Å; H98-D121 IonicContact CG-OD2 3.89Å; H98-D121 IonicContact ND1-OD1 2.7Å; H98-D121 IonicContact ND1-OD2 2.85Å; H98-D121 PolarHBondContact ND1-OD2 2.85Å; G99-D121 PolarHBondContact N-OD2 2.89Å; D100-D121 HydrophobicContact CB-CB 3.9Å; S119-D121 WeakPolarHBondContact CB-OD1 3.46Å; S119-D121 PolarHBondContact O-N 3.17Å; S119-D121 VanDerWaalsContact O-N 3.14Å; S119-D121 PolarHBondContact OG-N 3.18Å; S119-D121 PolarHBondContact OG-OD1 3.45Å; D121-T123 PolarHBondContact O-N 3.31Å; D121-T123 WeakPolarHBondContact OD1-CA 3.34Å; D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.4Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 PolarHBondContact OD1-OG1 3.42Å; D121-T123 PolarHBondContact OD2-OG1 2.93Å
122	K	95.9	Very high	96.7	Very high	99 Å²	99	31.9 Å²	31.9	43%	0.43	16%	0.156	S	C	.	.	S	Bend	trans	63.1	24.1	-177.7	-44.6	-175.7	179.8	-174.3	0	112.6	S119 G120 T140 G142	S119-K122 PolarHBondContact O-N 3.35Å; G120-K122 PolarHBondContact O-N 2.86Å; K122-T140 PolarHBondContact O-N 2.82Å; K122-T140 PolarHBondContact O-OG1 3Å; K122-T140 VanDerWaalsContact O-OG1 3.13Å; K122-G142 WeakPolarHBondContact CA-O 3.49Å
123	T	96.6	Very high	96.6	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.4	174.1	79.1	0	0	0	0	111.5	S119 D121 T137 V138 N139 N144	S119-T123 PolarHBondContact N-O 3.08Å; D121-T123 PolarHBondContact O-N 3.31Å; D121-T123 WeakPolarHBondContact OD1-CA 3.34Å; D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.4Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 PolarHBondContact OD1-OG1 3.42Å; D121-T123 PolarHBondContact OD2-OG1 2.93Å; T123-T137 HydrophobicContact CG2-CG2 4.07Å; T123-V138 WeakPolarHBondContact CA-O 3.15Å; T123-N139 WeakPolarHBondContact CG2-OD1 3.45Å; T123-N144 PolarHBondContact N-ND2 2.95Å; T123-N144 PolarHBondContact O-ND2 3.34Å
124	I	97.5	Very high	96.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138	163.6	-64.6	172.9	0	0	0	107.3	V116 T117 T137 V138 T140 I147 V158 I168	V116-I124 HydrophobicContact CG1-CG2 3.22Å; T117-I124 WeakPolarHBondContact O-CA 3.46Å; I124-T137 WeakPolarHBondContact O-CA 3.46Å; I124-V138 PolarHBondContact N-O 3.12Å; I124-V138 PolarHBondContact O-N 3.13Å; I124-T140 HydrophobicContact CD1-CG2 3.9Å; I124-T140 HydrophobicContact CG1-CG2 4.16Å; I124-I147 HydrophobicContact CD1-CG2 4.27Å; I124-V158 HydrophobicContact CD1-CB 3.47Å; I124-V158 VanDerWaalsContact CD1-CB 3.47Å; I124-V158 HydrophobicContact CD1-CG1 3.56Å; I124-V158 HydrophobicContact CD1-CG2 3.68Å; I124-V158 HydrophobicContact CG1-CG2 4.35Å; I124-I168 HydrophobicContact CD1-CD1 3.59Å
125	R	97.8	Very high	96.6	Very high	43 Å²	43	38.8 Å²	38.8	16%	0.162	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	176.3	-67.1	-178.8	-179.9	-114.9	-3.4	110.4	G97 H98 V116 T117 W127 A136 T137	G97-R125 PolarHBondContact O-NH2 3.13Å; H98-R125 VanDerWaalsContact CE1-CD 3.46Å; H98-R125 WeakPolarHBondContact CE1-CD 3.4Å; V116-R125 WeakPolarHBondContact CA-O 3.43Å; T117-R125 PolarHBondContact N-O 3.2Å; T117-R125 PolarHBondContact O-N 3.01Å; R125-W127 HydrophobicContact CB-CZ2 3.82Å; R125-W127 VanDerWaalsContact CB-NE1 3.34Å; R125-W127 VanDerWaalsContact CD-CZ2 3.42Å; R125-W127 HydrophobicContact CG-CZ2 4.27Å; R125-A136 WeakPolarHBondContact CA-O 3.37Å; R125-T137 HydrophobicContact CG-CG2 4.13Å
126	I	97.9	Very high	96.5	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.3	174.4	-52.9	179.4	0	0	0	107.1	V116 C134 I135 A136 I156 H173	V116-I126 HydrophobicContact CG2-CG1 4.17Å; V116-I126 HydrophobicContact CG2-CG2 4.39Å; I126-C134 CarbonylContact O-C 3.57Å; I126-I135 HydrophobicContact CG2-CD1 4.06Å; I126-I135 PolarHBondContact O-N 3.24Å; I126-A136 HydrophobicContact CD1-CB 4.38Å; I126-A136 PolarHBondContact N-O 2.9Å; I126-A136 PolarHBondContact O-N 3.13Å; I126-I156 HydrophobicContact CD1-CD1 3.82Å; I126-I156 HydrophobicContact CG1-CD1 4.21Å; I126-H173 WeakPolarHBondContact CD1-ND1 3.43Å
127	W	98	Very high	96.4	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.5	-172.8	-58.9	94.9	0	0	0	111.2	Y95 R96 L114 F115 T117 R125 C134	Y95-W127 HydrophobicContact CD1-CD2 4.03Å; Y95-W127 AromaticContact CD1-CE3 3.38Å; Y95-W127 HydrophobicContact CD1-CE3 3.38Å; Y95-W127 AromaticContact CD1-CZ3 3.76Å; Y95-W127 HydrophobicContact CD1-CZ3 3.76Å; Y95-W127 HydrophobicContact CE1-CE3 4.14Å; Y95-W127 HydrophobicContact CG-CD2 4.37Å; Y95-W127 HydrophobicContact CG-CE3 4.07Å; Y95-W127 HydrophobicContact CG-CZ3 4.34Å; R96-W127 WeakPolarHBondContact O-CH2 3.48Å; L114-W127 WeakPolarHBondContact CA-O 3.45Å; L114-W127 WeakPolarHBondContact CD2-O 3.4Å; F115-W127 HydrophobicContact CD1-CB 3.89Å; F115-W127 HydrophobicContact CD2-CB 4.22Å; F115-W127 AromaticContact CD2-CD1 3.87Å; F115-W127 HydrophobicContact CD2-CG 4.33Å; F115-W127 HydrophobicContact CE1-CB 3.38Å; F115-W127 HydrophobicContact CE1-CG 4.13Å; F115-W127 HydrophobicContact CE2-CB 3.77Å; F115-W127 AromaticContact CE2-CD1 3.37Å; F115-W127 AromaticContact CE2-CG 3.65Å; F115-W127 HydrophobicContact CE2-CG 3.65Å; F115-W127 HydrophobicContact CG-CB 4.28Å; F115-W127 HydrophobicContact CZ-CB 3.32Å; F115-W127 AromaticContact CZ-CD1 3.77Å; F115-W127 HydrophobicContact CZ-CD2 4.36Å; F115-W127 AromaticContact CZ-CG 3.53Å; F115-W127 HydrophobicContact CZ-CG 3.53Å; F115-W127 PolarHBondContact N-O 2.97Å; F115-W127 PolarHBondContact O-N 3.2Å; T117-W127 PolarHBondContact OG1-NE1 3.32Å; R125-W127 HydrophobicContact CB-CZ2 3.82Å; R125-W127 VanDerWaalsContact CB-NE1 3.34Å; R125-W127 VanDerWaalsContact CD-CZ2 3.42Å; R125-W127 HydrophobicContact CG-CZ2 4.27Å; W127-C134 HydrophobicContact CD2-CB 4.43Å; W127-C134 HydrophobicContact CE3-CB 3.8Å; W127-C134 HydrophobicContact CH2-CB 4.05Å; W127-C134 HydrophobicContact CZ3-CB 3.59Å
128	D	96.6	Very high	96.4	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.9	168.5	178.9	-41.7	0	0	0	108.7	L114 R130 T131 T132 K133 I135	L114-D128 HydrophobicContact CD2-CB 4.08Å; D128-R130 WeakPolarHBondContact OD1-CA 3.48Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.25Å; D128-R130 PolarHBondContact OD1-N 2.82Å; D128-T131 WeakPolarHBondContact CB-OG1 3.46Å; D128-T131 PolarHBondContact OD1-N 3.48Å; D128-T131 PolarHBondContact OD1-OG1 2.79Å; D128-T132 WeakPolarHBondContact O-CA 3.09Å; D128-T132 PolarHBondContact O-N 2.58Å; D128-K133 PolarHBondContact N-O 3.38Å; D128-K133 PolarHBondContact O-N 2.85Å; D128-I135 HydrophobicContact CB-CD1 3.62Å; D128-I135 HydrophobicContact CB-CG1 3.73Å
129	V	96.1	Very high	96.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-37.5	-178.2	-176.6	0	0	0	0	112.2	V81 Y95 W107 D113 F115 T131 T132	V81-V129 HydrophobicContact CG1-CG1 4.36Å; Y95-V129 WeakPolarHBondContact OH-CA 3.36Å; W107-V129 HydrophobicContact CH2-CG2 3.67Å; W107-V129 HydrophobicContact CZ3-CG2 3.67Å; D113-V129 WeakPolarHBondContact O-CG2 3.3Å; D113-V129 PolarHBondContact O-N 3.22Å; F115-V129 HydrophobicContact CD1-CG2 3.61Å; F115-V129 HydrophobicContact CE1-CG2 3.54Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3Å; V129-T132 WeakPolarHBondContact O-CG2 3.39Å; V129-T132 PolarHBondContact O-N 2.96Å
130	R	94.6	Very high	96.1	Very high	187 Å²	187	50.3 Å²	50.3	71%	0.706	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-38.1	-178.6	-179.8	-176.1	63.9	149.3	-0.3	111.8	D128	D128-R130 WeakPolarHBondContact OD1-CA 3.48Å; D128-R130 VanDerWaalsContact OD1-CB 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.25Å; D128-R130 PolarHBondContact OD1-N 2.82Å
131	T	94.6	Very high	95.8	Very high	56 Å²	56	56.6 Å²	56.6	34%	0.344	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5	-179.8	66.9	0	0	0	0	114.1	D128 V129 K133	D128-T131 WeakPolarHBondContact CB-OG1 3.46Å; D128-T131 PolarHBondContact OD1-N 3.48Å; D128-T131 PolarHBondContact OD1-OG1 2.79Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3Å; T131-K133 WeakPolarHBondContact O-CG 3.41Å; T131-K133 PolarHBondContact O-N 3.34Å
132	T	94.7	Very high	95.5	Very high	77 Å²	77	54.9 Å²	54.9	47%	0.472	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.5	-177.9	63.7	0	0	0	0	114.2	N93 D128 V129	N93-T132 WeakPolarHBondContact ND2-CG2 3.46Å; N93-T132 WeakPolarHBondContact OD1-CG2 3.33Å; D128-T132 WeakPolarHBondContact O-CA 3.09Å; D128-T132 PolarHBondContact O-N 2.58Å; V129-T132 WeakPolarHBondContact O-CG2 3.39Å; V129-T132 PolarHBondContact O-N 2.96Å
133	K	93.8	Very high	95.4	Very high	141 Å²	141	53.6 Å²	53.6	61%	0.613	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.2	-174.3	-74.7	170.6	-173.9	-176.7	0	112.5	D128 T131 I135	D128-K133 PolarHBondContact N-O 3.38Å; D128-K133 PolarHBondContact O-N 2.85Å; T131-K133 WeakPolarHBondContact O-CG 3.41Å; T131-K133 PolarHBondContact O-N 3.34Å; K133-I135 PolarHBondContact O-N 3.27Å
134	C	96.4	Very high	95.3	Very high	41 Å²	41	53 Å²	53	28%	0.277	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.4	163.2	-169.5	0	0	0	0	107.9	I126 W127 A136 T137	I126-C134 CarbonylContact O-C 3.57Å; W127-C134 HydrophobicContact CD2-CB 4.43Å; W127-C134 HydrophobicContact CE3-CB 3.8Å; W127-C134 HydrophobicContact CH2-CB 4.05Å; W127-C134 HydrophobicContact CZ3-CB 3.59Å; C134-A136 PolarHBondContact SG-O 3.41Å; C134-A136 VanDerWaalsContact SG-O 3.32Å; C134-T137 PolarHBondContact SG-OG1 3.12Å
135	I	96.1	Very high	95	Very high	76 Å²	76	55.6 Å²	55.6	39%	0.39	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-46.9	175.1	-61.5	163.6	0	0	0	109.4	L114 I126 D128 K133	L114-I135 HydrophobicContact CD2-CD1 3.39Å; I126-I135 HydrophobicContact CG2-CD1 4.06Å; I126-I135 PolarHBondContact O-N 3.24Å; D128-I135 HydrophobicContact CB-CD1 3.62Å; D128-I135 HydrophobicContact CB-CG1 3.73Å; K133-I135 PolarHBondContact O-N 3.27Å
136	A	96.2	Very high	94.7	Very high	13 Å²	13	54.2 Å²	54.2	11%	0.107	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.8	-175.4	0	0	0	0	0	110.8	R125 I126 C134 H173	R125-A136 WeakPolarHBondContact CA-O 3.37Å; I126-A136 HydrophobicContact CD1-CB 4.38Å; I126-A136 PolarHBondContact N-O 2.9Å; I126-A136 PolarHBondContact O-N 3.13Å; C134-A136 PolarHBondContact SG-O 3.41Å; C134-A136 VanDerWaalsContact SG-O 3.32Å; A136-H173 HydrophobicContact CB-CB 3.89Å; A136-H173 VanDerWaalsContact CB-CG 3.46Å
137	T	97.1	Very high	94.6	Very high	66 Å²	66	54.3 Å²	54.3	41%	0.405	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.7	167.1	-56.1	0	0	0	0	107.2	T123 I124 R125 C134	T123-T137 HydrophobicContact CG2-CG2 4.07Å; I124-T137 WeakPolarHBondContact O-CA 3.46Å; R125-T137 HydrophobicContact CG-CG2 4.13Å; C134-T137 PolarHBondContact SG-OG1 3.12Å
138	V	96.6	Very high	94.6	Very high	16 Å²	16	54.6 Å²	54.6	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.9	-179.7	-175.7	0	0	0	0	108.3	T123 I124 I168 H173	T123-V138 WeakPolarHBondContact CA-O 3.15Å; I124-V138 PolarHBondContact N-O 3.12Å; I124-V138 PolarHBondContact O-N 3.13Å; V138-I168 HydrophobicContact CB-CD1 4.39Å; V138-I168 HydrophobicContact CG1-CD1 3.87Å; V138-I168 HydrophobicContact CG1-CG1 4.34Å; V138-I168 HydrophobicContact CG1-CG2 4.38Å; V138-I168 HydrophobicContact CG2-CG2 4.35Å; V138-H173 HydrophobicContact CG2-CB 4.22Å
139	N	95.2	Very high	94.6	Very high	129 Å²	129	54.7 Å²	54.7	69%	0.69	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.7	175.6	-68.2	-9.7	0	0	0	109.7	T123	T123-N139 WeakPolarHBondContact CG2-OD1 3.45Å
140	T	93.8	Very high	94.6	Very high	17 Å²	17	54.6 Å²	54.6	10%	0.104	27%	0.274	C	S	.	.			trans	-109.3	174.2	172.9	61.5	0	0	0	0	109.5	K122 I124 G142 N144 V158 I168	K122-T140 PolarHBondContact O-N 2.82Å; K122-T140 PolarHBondContact O-OG1 3Å; K122-T140 VanDerWaalsContact O-OG1 3.13Å; I124-T140 HydrophobicContact CD1-CG2 3.9Å; I124-T140 HydrophobicContact CG1-CG2 4.16Å; T140-G142 PolarHBondContact OG1-O 3.3Å; T140-N144 WeakPolarHBondContact CB-OD1 3.48Å; T140-N144 PolarHBondContact OG1-ND2 3.06Å; T140-N144 PolarHBondContact OG1-OD1 2.77Å; T140-V158 HydrophobicContact CG2-CG1 4.1Å; T140-I168 HydrophobicContact CG2-CD1 4.28Å
141	K	89.8	Confident	94.7	Very high	137 Å²	137	47.5 Å²	47.5	60%	0.596	25%	0.252	S	S	*	.	S	Bend	trans	-81.7	-23.5	-173.4	-71.4	-178.1	173.1	174.2	0	114.5	E178	K141-E178 WeakPolarHBondContact CD-OE2 3.19Å; K141-E178 WeakPolarHBondContact CE-OE2 3.16Å; K141-E178 IonicContact NZ-OE2 3.07Å; K141-E178 PolarHBondContact NZ-OE2 3.14Å
142	G	90.7	Very high	94.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	25%	0.251	C	S	.	.	S	Bend	trans	-142.1	178.7	-172.4	0	0	0	0	0	112.5	K122 T140 N144	K122-G142 WeakPolarHBondContact CA-O 3.49Å; T140-G142 PolarHBondContact OG1-O 3.3Å; G142-N144 PolarHBondContact O-N 3.46Å; G142-N144 PolarHBondContact O-OD1 2.82Å
143	E	92.4	Very high	94.8	Very high	72 Å²	72	44.4 Å²	44.4	34%	0.336	23%	0.232	S	C	.	.			trans	-68.2	115.7	177.7	-61.2	-176.7	-172	0	0	109.2	N160 K161	E143-N160 WeakPolarHBondContact O-CA 3.11Å; E143-N160 VanDerWaalsContact O-CB 3.25Å; E143-N160 WeakPolarHBondContact O-CB 3.35Å; E143-K161 HydrophobicContact CB-CD 4.04Å; E143-K161 HydrophobicContact CB-CG 4.32Å; E143-K161 PolarHBondContact O-N 2.9Å; E143-K161 VanDerWaalsContact O-N 3.08Å; E143-K161 WeakPolarHBondContact OE2-CD 3.42Å; E143-K161 WeakPolarHBondContact OE2-CE 3.25Å; E143-K161 IonicContact OE2-NZ 3.8Å; E143-K161 PolarHBondContact OE2-NZ 2.91Å
144	N	94.5	Very high	94.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.7	-173.9	-58.4	-51.7	0	0	0	109.9	A118 S119 T123 T140 G142 V158	A118-N144 HydrophobicContact CB-CB 3.97Å; S119-N144 PolarHBondContact O-N 2.86Å; S119-N144 PolarHBondContact O-ND2 3.22Å; T123-N144 PolarHBondContact N-ND2 2.95Å; T123-N144 PolarHBondContact O-ND2 3.34Å; T140-N144 WeakPolarHBondContact CB-OD1 3.48Å; T140-N144 PolarHBondContact OG1-ND2 3.06Å; T140-N144 PolarHBondContact OG1-OD1 2.77Å; G142-N144 PolarHBondContact O-N 3.46Å; G142-N144 PolarHBondContact O-OD1 2.82Å; N144-V158 HydrophobicContact CB-CG2 3.72Å; N144-V158 VanDerWaalsContact OD1-CG2 3.3Å; N144-V158 WeakPolarHBondContact OD1-CG2 3.25Å
145	I	92.1	Very high	94.9	Very high	54 Å²	54	39.6 Å²	39.6	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-51.7	-179.4	-46.9	178.4	0	0	0	110.4	Q104 G159 K161	Q104-I145 VanDerWaalsContact CB-O 3.25Å; Q104-I145 WeakPolarHBondContact CB-O 3.43Å; I145-G159 PolarHBondContact N-O 3.21Å; I145-K161 HydrophobicContact CD1-CB 4.17Å; I145-K161 HydrophobicContact CD1-CG 3.35Å; I145-K161 HydrophobicContact CG1-CG 3.6Å
146	N	92.2	Very high	94.9	Very high	14 Å²	14	36 Å²	36	8%	0.075	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.1	-171.6	-60	-39.9	0	0	0	111.1	V158 G159 N186 I188	N146-V158 CarbonylContact O-C 3.49Å; N146-V158 VanDerWaalsContact O-CA 3.31Å; N146-V158 WeakPolarHBondContact O-CA 3.37Å; N146-V158 WeakPolarHBondContact O-CG2 3.28Å; N146-G159 PolarHBondContact N-O 2.82Å; N146-G159 PolarHBondContact O-N 2.86Å; N146-N186 PolarHBondContact ND2-O 2.87Å; N146-I188 HydrophobicContact CB-CG1 4.23Å
147	I	96.1	Very high	95	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.2	175	51.3	166.8	0	0	0	111	Q104 V116 A118 I124 A157 V158	Q104-I147 HydrophobicContact CB-CG1 3.91Å; Q104-I147 HydrophobicContact CG-CG1 3.67Å; V116-I147 HydrophobicContact CB-CD1 4.08Å; V116-I147 HydrophobicContact CG1-CD1 3.85Å; V116-I147 VanDerWaalsContact O-CD1 3.27Å; V116-I147 WeakPolarHBondContact O-CD1 3.41Å; A118-I147 HydrophobicContact CB-CB 4.3Å; A118-I147 HydrophobicContact CB-CD1 3.96Å; A118-I147 HydrophobicContact CB-CG1 3.92Å; A118-I147 HydrophobicContact CB-CG2 3.49Å; A118-I147 VanDerWaalsContact CB-CG2 3.49Å; I124-I147 HydrophobicContact CD1-CG2 4.27Å; I147-A157 WeakPolarHBondContact CA-O 3.19Å; I147-V158 HydrophobicContact CG2-CB 3.83Å; I147-V158 HydrophobicContact CG2-CG2 3.73Å
148	C	96.6	Very high	95	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.115	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.7	170.7	60.8	0	0	0	0	111.3	A157	C148-A157 PolarHBondContact N-O 2.76Å; C148-A157 PolarHBondContact O-N 3.39Å
149	W	97.3	Very high	94.9	Very high	24 Å²	24	31.7 Å²	31.7	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.3	171.5	-81.6	99.4	0	0	0	110.8	C106 H108 P109 V116 G153 I156 A170 W190	C106-W149 VanDerWaalsContact SG-CD1 3.52Å; H108-W149 HydrophobicContact CB-CZ2 4.33Å; H108-W149 AromaticContact CD2-CH2 3.59Å; H108-W149 AromaticContact CD2-CZ2 3.76Å; H108-W149 AromaticContact CD2-CZ3 3.91Å; P109-W149 HydrophobicContact CG-CB 4.17Å; V116-W149 HydrophobicContact CG2-CZ2 3.42Å; V116-W149 VanDerWaalsContact CG2-CZ2 3.42Å; W149-G153 WeakPolarHBondContact CZ3-O 3.27Å; W149-I156 HydrophobicContact CD2-CG1 3.8Å; W149-I156 HydrophobicContact CE3-CG1 3.67Å; W149-I156 HydrophobicContact CH2-CD1 3.75Å; W149-I156 HydrophobicContact CH2-CG1 3.68Å; W149-I156 HydrophobicContact CZ2-CD1 3.75Å; W149-I156 HydrophobicContact CZ2-CG1 3.74Å; W149-I156 HydrophobicContact CZ3-CD1 4.18Å; W149-I156 HydrophobicContact CZ3-CG1 3.61Å; W149-A170 HydrophobicContact CH2-CB 3.22Å; W149-A170 HydrophobicContact CZ2-CB 4.47Å; W149-A170 HydrophobicContact CZ3-CB 3.25Å; W149-W190 VanDerWaalsContact O-CD1 3.28Å
150	S	96.8	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.			trans	-61.2	145.2	157.1	59.4	0	0	0	0	109.4	D152 G153 Q154 T155 N194	S150-D152 WeakPolarHBondContact CB-OD1 3.37Å; S150-D152 PolarHBondContact O-N 3.13Å; S150-D152 VanDerWaalsContact O-N 3.11Å; S150-D152 PolarHBondContact OG-OD1 3.37Å; S150-G153 PolarHBondContact O-N 2.99Å; S150-Q154 PolarHBondContact OG-N 3.15Å; S150-T155 PolarHBondContact N-O 3.26Å; S150-T155 PolarHBondContact OG-N 2.87Å; S150-T155 PolarHBondContact OG-O 2.82Å; S150-T155 VanDerWaalsContact OG-O 3.09Å; S150-N194 WeakPolarHBondContact CB-OD1 3.44Å
151	P	95.2	Very high	94.7	Very high	38 Å²	38	30.6 Å²	30.6	25%	0.247	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.9	-176.6	-22.5	27.6	0	0	0	113.8	P109 G153 W190 N191 N192 N194	P109-P151 WeakPolarHBondContact CG-O 3.15Å; P151-G153 PolarHBondContact O-N 3.36Å; P151-W190 HydrophobicContact CG-CB 4.24Å; P151-N191 WeakPolarHBondContact CG-O 3.48Å; P151-N192 WeakPolarHBondContact CB-O 3.28Å; P151-N194 HydrophobicContact CG-CB 4.2Å
152	D	95.6	Very high	94.7	Very high	62 Å²	62	28.4 Å²	28.4	33%	0.332	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.4	176.6	74	-11.4	0	0	0	114.1	S150 Q154 N194	S150-D152 WeakPolarHBondContact CB-OD1 3.37Å; S150-D152 PolarHBondContact O-N 3.13Å; S150-D152 VanDerWaalsContact O-N 3.11Å; S150-D152 PolarHBondContact OG-OD1 3.37Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 HydrophobicContact CB-CG 4.43Å; D152-Q154 PolarHBondContact O-N 3.27Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.42Å; D152-Q154 PolarHBondContact OD1-N 3.39Å; D152-Q154 WeakPolarHBondContact OD2-CG 3.31Å; D152-Q154 PolarHBondContact OD2-NE2 3.42Å; D152-N194 PolarHBondContact OD1-ND2 2.88Å; D152-N194 PolarHBondContact OD2-ND2 3.42Å
153	G	95.6	Very high	94.7	Very high	7 Å²	7	30.3 Å²	30.3	7%	0.072	16%	0.155	C	C	.	.	S	Bend	trans	68.2	20.8	-179	0	0	0	0	0	114.5	H108 W149 S150 P151	H108-G153 PolarHBondContact NE2-O 3.03Å; W149-G153 WeakPolarHBondContact CZ3-O 3.27Å; S150-G153 PolarHBondContact O-N 2.99Å; P151-G153 PolarHBondContact O-N 3.36Å
154	Q	96	Very high	94.7	Very high	80 Å²	80	27.7 Å²	27.7	37%	0.374	14%	0.144	S	C	.	.	S	Bend	trans	-94.8	-30.4	179.6	-65.1	-168.9	70.7	0	0	113.5	S150 D152 A170	S150-Q154 PolarHBondContact OG-N 3.15Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 HydrophobicContact CB-CG 4.43Å; D152-Q154 PolarHBondContact O-N 3.27Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.42Å; D152-Q154 PolarHBondContact OD1-N 3.39Å; D152-Q154 WeakPolarHBondContact OD2-CG 3.31Å; D152-Q154 PolarHBondContact OD2-NE2 3.42Å; Q154-A170 WeakPolarHBondContact O-CB 3.34Å; Q154-A170 PolarHBondContact O-N 3.24Å
155	T	96.8	Very high	94.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.2	-171.5	-49.1	0	0	0	0	110.3	S150 F167 I168 Y211	S150-T155 PolarHBondContact N-O 3.26Å; S150-T155 PolarHBondContact OG-N 2.87Å; S150-T155 PolarHBondContact OG-O 2.82Å; S150-T155 VanDerWaalsContact OG-O 3.09Å; T155-F167 HydrophobicContact CG2-CB 4.04Å; T155-F167 HydrophobicContact CG2-CD1 4.27Å; T155-I168 CarbonylContact C-O 3.53Å; T155-I168 WeakPolarHBondContact CA-O 3.35Å; T155-Y211 PolarHBondContact OG1-OH 2.82Å
156	I	97.6	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.2	172.9	-59.1	159	0	0	0	106.6	V116 I126 W149 F167 I168 A170	V116-I156 HydrophobicContact CG1-CD1 4.31Å; V116-I156 HydrophobicContact CG1-CG2 4.43Å; V116-I156 HydrophobicContact CG2-CD1 3.78Å; V116-I156 HydrophobicContact CG2-CG1 4.42Å; I126-I156 HydrophobicContact CD1-CD1 3.82Å; I126-I156 HydrophobicContact CG1-CD1 4.21Å; W149-I156 HydrophobicContact CD2-CG1 3.8Å; W149-I156 HydrophobicContact CE3-CG1 3.67Å; W149-I156 HydrophobicContact CH2-CD1 3.75Å; W149-I156 HydrophobicContact CH2-CG1 3.68Å; W149-I156 HydrophobicContact CZ2-CD1 3.75Å; W149-I156 HydrophobicContact CZ2-CG1 3.74Å; W149-I156 HydrophobicContact CZ3-CD1 4.18Å; W149-I156 HydrophobicContact CZ3-CG1 3.61Å; I156-F167 CarbonylContact O-C 3.47Å; I156-F167 WeakPolarHBondContact O-CA 3.33Å; I156-I168 HydrophobicContact CB-CB 4.47Å; I156-I168 PolarHBondContact N-O 2.89Å; I156-I168 PolarHBondContact O-N 3.4Å; I156-A170 HydrophobicContact CD1-CB 4.22Å; I156-A170 HydrophobicContact CG1-CB 4.46Å
157	A	97.3	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.3	167.9	0	0	0	0	0	109	I147 C148 V165 T166 F167 I188 W190 F197	I147-A157 WeakPolarHBondContact CA-O 3.19Å; C148-A157 PolarHBondContact N-O 2.76Å; C148-A157 PolarHBondContact O-N 3.39Å; A157-V165 HydrophobicContact CB-CG1 4.43Å; A157-T166 WeakPolarHBondContact CA-O 3.46Å; A157-F167 HydrophobicContact CB-CD1 3.84Å; A157-F167 HydrophobicContact CB-CE1 3.72Å; A157-I188 HydrophobicContact CB-CD1 3.93Å; A157-W190 HydrophobicContact CB-CZ2 4.22Å; A157-F197 HydrophobicContact CB-CE2 3.69Å; A157-F197 HydrophobicContact CB-CZ 3.95Å
158	V	96.8	Very high	95.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.8	174.2	57.5	0	0	0	0	109.9	I124 T140 N144 N146 I147 V165 T166 I168	I124-V158 HydrophobicContact CD1-CB 3.47Å; I124-V158 VanDerWaalsContact CD1-CB 3.47Å; I124-V158 HydrophobicContact CD1-CG1 3.56Å; I124-V158 HydrophobicContact CD1-CG2 3.68Å; I124-V158 HydrophobicContact CG1-CG2 4.35Å; T140-V158 HydrophobicContact CG2-CG1 4.1Å; N144-V158 HydrophobicContact CB-CG2 3.72Å; N144-V158 VanDerWaalsContact OD1-CG2 3.3Å; N144-V158 WeakPolarHBondContact OD1-CG2 3.25Å; N146-V158 CarbonylContact O-C 3.49Å; N146-V158 VanDerWaalsContact O-CA 3.31Å; N146-V158 WeakPolarHBondContact O-CA 3.37Å; N146-V158 WeakPolarHBondContact O-CG2 3.28Å; I147-V158 HydrophobicContact CG2-CB 3.83Å; I147-V158 HydrophobicContact CG2-CG2 3.73Å; V158-V165 CarbonylContact O-C 3.6Å; V158-V165 WeakPolarHBondContact O-CA 3.23Å; V158-T166 HydrophobicContact CG1-CG2 4.46Å; V158-T166 WeakPolarHBondContact CG1-O 3.32Å; V158-T166 PolarHBondContact N-O 2.76Å; V158-T166 PolarHBondContact O-N 3.25Å; V158-I168 HydrophobicContact CG1-CD1 4.26Å
159	G	95.3	Very high	95.2	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.8	168.3	0	0	0	0	0	110.7	I145 N146	I145-G159 PolarHBondContact N-O 3.21Å; N146-G159 PolarHBondContact N-O 2.82Å; N146-G159 PolarHBondContact O-N 2.86Å
160	N	93.2	Very high	95	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.027	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	173.6	176.5	75.1	6.8	0	0	0	112.2	E143 D162 D163 V164	E143-N160 WeakPolarHBondContact O-CA 3.11Å; E143-N160 VanDerWaalsContact O-CB 3.25Å; E143-N160 WeakPolarHBondContact O-CB 3.35Å; N160-D162 PolarHBondContact O-N 3.31Å; N160-D162 WeakPolarHBondContact OD1-CA 3.45Å; N160-D162 PolarHBondContact OD1-N 2.95Å; N160-D163 PolarHBondContact O-N 3.23Å; N160-D163 PolarHBondContact OD1-N 3.08Å; N160-V164 PolarHBondContact N-O 3.35Å; N160-V164 PolarHBondContact OD1-N 2.86Å; N160-V164 PolarHBondContact OD1-O 2.89Å
161	K	90.4	Very high	94.8	Very high	117 Å²	117	31.3 Å²	31.3	51%	0.509	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.8	176.3	-69.8	-178	-174.1	168.1	0	115.3	E143 I145	E143-K161 HydrophobicContact CB-CD 4.04Å; E143-K161 HydrophobicContact CB-CG 4.32Å; E143-K161 PolarHBondContact O-N 2.9Å; E143-K161 VanDerWaalsContact O-N 3.08Å; E143-K161 WeakPolarHBondContact OE2-CD 3.42Å; E143-K161 WeakPolarHBondContact OE2-CE 3.25Å; E143-K161 IonicContact OE2-NZ 3.8Å; E143-K161 PolarHBondContact OE2-NZ 2.91Å; I145-K161 HydrophobicContact CD1-CB 4.17Å; I145-K161 HydrophobicContact CD1-CG 3.35Å; I145-K161 HydrophobicContact CG1-CG 3.6Å
162	D	90.8	Very high	94.8	Very high	92 Å²	92	33.4 Å²	33.4	49%	0.492	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	18.8	-178.2	-56.3	-54.2	0	0	0	111.9	N160 V164	N160-D162 PolarHBondContact O-N 3.31Å; N160-D162 WeakPolarHBondContact OD1-CA 3.45Å; N160-D162 PolarHBondContact OD1-N 2.95Å; D162-V164 PolarHBondContact O-N 2.66Å
163	D	90.5	Very high	94.7	Very high	40 Å²	40	33.4 Å²	33.4	21%	0.214	17%	0.169	C	C	.	.	S	Bend	trans	59.2	22.5	-178.9	-56	-32.3	0	0	0	114.5	N160 F181 E184 V185	N160-D163 PolarHBondContact O-N 3.23Å; N160-D163 PolarHBondContact OD1-N 3.08Å; D163-F181 HydrophobicContact CB-CB 4.41Å; D163-F181 WeakPolarHBondContact CB-O 3.48Å; D163-F181 PolarHBondContact O-N 3.14Å; D163-E184 VanDerWaalsContact OD1-CA 3.27Å; D163-E184 WeakPolarHBondContact OD1-CA 3.45Å; D163-V185 PolarHBondContact OD1-N 2.84Å
164	V	93.2	Very high	94.6	Very high	17 Å²	17	41.9 Å²	41.9	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.1	175.5	-175.8	0	0	0	0	109.7	N160 D162 E178 E179 Q180	N160-V164 PolarHBondContact N-O 3.35Å; N160-V164 PolarHBondContact OD1-N 2.86Å; N160-V164 PolarHBondContact OD1-O 2.89Å; D162-V164 PolarHBondContact O-N 2.66Å; V164-E178 HydrophobicContact CG1-CB 4.43Å; V164-E179 WeakPolarHBondContact CA-O 3.26Å; V164-Q180 HydrophobicContact CG2-CB 4.26Å; V164-Q180 HydrophobicContact CG2-CG 4.1Å
165	V	95.5	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.1	168.5	-178.1	0	0	0	0	109	A157 V158 F167 E178 E179 F181 I188 F197	A157-V165 HydrophobicContact CB-CG1 4.43Å; V158-V165 CarbonylContact O-C 3.6Å; V158-V165 WeakPolarHBondContact O-CA 3.23Å; V165-F167 HydrophobicContact CG1-CD2 4.48Å; V165-F167 HydrophobicContact CG1-CE1 4.35Å; V165-F167 HydrophobicContact CG1-CE2 3.85Å; V165-F167 HydrophobicContact CG1-CZ 3.77Å; V165-E178 WeakPolarHBondContact O-CA 3.48Å; V165-E179 PolarHBondContact N-O 2.68Å; V165-E179 PolarHBondContact O-N 3.29Å; V165-F181 HydrophobicContact CB-CD2 4.45Å; V165-F181 HydrophobicContact CB-CE2 3.91Å; V165-F181 HydrophobicContact CG2-CD2 3.82Å; V165-F181 HydrophobicContact CG2-CE2 3.58Å; V165-I188 HydrophobicContact CG1-CD1 4.49Å; V165-I188 HydrophobicContact CG2-CG2 4.29Å; V165-F197 HydrophobicContact CG1-CE1 4.17Å; V165-F197 HydrophobicContact CG1-CZ 3.96Å
166	T	95.8	Very high	94.2	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.5	175.9	-50.9	0	0	0	0	109.8	A157 V158 I168 S175 E178	A157-T166 WeakPolarHBondContact CA-O 3.46Å; V158-T166 HydrophobicContact CG1-CG2 4.46Å; V158-T166 WeakPolarHBondContact CG1-O 3.32Å; V158-T166 PolarHBondContact N-O 2.76Å; V158-T166 PolarHBondContact O-N 3.25Å; T166-I168 HydrophobicContact CG2-CD1 4.44Å; T166-I168 HydrophobicContact CG2-CG1 4.01Å; T166-S175 WeakPolarHBondContact CG2-OG 3.26Å; T166-E178 HydrophobicContact CG2-CG 3.78Å
167	F	96.4	Very high	93.9	Very high	4 Å²	4	48 Å²	48	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.1	174.6	-63.4	-85.6	0	0	0	109.3	T155 I156 A157 V165 K176 A177 W190 F197 L214	T155-F167 HydrophobicContact CG2-CB 4.04Å; T155-F167 HydrophobicContact CG2-CD1 4.27Å; I156-F167 CarbonylContact O-C 3.47Å; I156-F167 WeakPolarHBondContact O-CA 3.33Å; A157-F167 HydrophobicContact CB-CD1 3.84Å; A157-F167 HydrophobicContact CB-CE1 3.72Å; V165-F167 HydrophobicContact CG1-CD2 4.48Å; V165-F167 HydrophobicContact CG1-CE1 4.35Å; V165-F167 HydrophobicContact CG1-CE2 3.85Å; V165-F167 HydrophobicContact CG1-CZ 3.77Å; F167-K176 PolarHBondContact O-N 2.96Å; F167-A177 HydrophobicContact CB-CB 4.3Å; F167-A177 HydrophobicContact CD2-CB 4.04Å; F167-A177 PolarHBondContact N-O 2.59Å; F167-A177 PolarHBondContact O-N 3.43Å; F167-W190 HydrophobicContact CD1-CH2 4.22Å; F167-W190 AromaticContact CD1-CZ2 3.77Å; F167-W190 HydrophobicContact CD1-CZ2 3.77Å; F167-W190 HydrophobicContact CE1-CH2 4.05Å; F167-W190 AromaticContact CE1-CZ2 3.59Å; F167-W190 HydrophobicContact CE1-CZ2 3.59Å; F167-F197 HydrophobicContact CE1-CD2 4.1Å; F167-F197 HydrophobicContact CE1-CE1 4.41Å; F167-F197 AromaticContact CE1-CE2 3.9Å; F167-F197 HydrophobicContact CE1-CE2 3.9Å; F167-F197 HydrophobicContact CE1-CG 4.42Å; F167-F197 HydrophobicContact CE1-CZ 4.05Å; F167-F197 HydrophobicContact CZ-CD1 4.12Å; F167-F197 HydrophobicContact CZ-CD2 4.42Å; F167-F197 AromaticContact CZ-CE1 3.94Å; F167-F197 HydrophobicContact CZ-CE1 3.94Å; F167-F197 HydrophobicContact CZ-CE2 4.26Å; F167-F197 HydrophobicContact CZ-CG 4.34Å; F167-F197 AromaticContact CZ-CZ 3.99Å; F167-F197 HydrophobicContact CZ-CZ 3.99Å; F167-L214 HydrophobicContact CD2-CD1 3.75Å; F167-L214 HydrophobicContact CE1-CD2 4.29Å; F167-L214 HydrophobicContact CE2-CD1 3.48Å; F167-L214 VanDerWaalsContact CE2-CD1 3.48Å; F167-L214 HydrophobicContact CE2-CD2 3.65Å; F167-L214 HydrophobicContact CE2-CG 4.24Å; F167-L214 HydrophobicContact CZ-CD1 4.22Å; F167-L214 HydrophobicContact CZ-CD2 3.51Å
168	I	96.8	Very high	93.7	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.5	-175.8	-63.1	161.4	0	0	0	108.8	I124 V138 T140 T155 I156 V158 T166 A170 R174	I124-I168 HydrophobicContact CD1-CD1 3.59Å; V138-I168 HydrophobicContact CB-CD1 4.39Å; V138-I168 HydrophobicContact CG1-CD1 3.87Å; V138-I168 HydrophobicContact CG1-CG1 4.34Å; V138-I168 HydrophobicContact CG1-CG2 4.38Å; V138-I168 HydrophobicContact CG2-CG2 4.35Å; T140-I168 HydrophobicContact CG2-CD1 4.28Å; T155-I168 CarbonylContact C-O 3.53Å; T155-I168 WeakPolarHBondContact CA-O 3.35Å; I156-I168 HydrophobicContact CB-CB 4.47Å; I156-I168 PolarHBondContact N-O 2.89Å; I156-I168 PolarHBondContact O-N 3.4Å; V158-I168 HydrophobicContact CG1-CD1 4.26Å; T166-I168 HydrophobicContact CG2-CD1 4.44Å; T166-I168 HydrophobicContact CG2-CG1 4.01Å; I168-A170 PolarHBondContact O-N 2.89Å; I168-R174 WeakPolarHBondContact CA-O 3.33Å
169	D	95.9	Very high	93.5	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.9	171.7	-178.7	-86	0	0	0	110.2	K171 T172 H173 R174 K176	D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.2Å; D169-K171 PolarHBondContact OD1-N 3.32Å; D169-K171 VanDerWaalsContact OD1-N 3.1Å; D169-T172 VanDerWaalsContact CB-OG1 3.23Å; D169-T172 WeakPolarHBondContact CB-OG1 3.44Å; D169-T172 VanDerWaalsContact CG-OG1 3.25Å; D169-T172 WeakPolarHBondContact OD1-CB 3.44Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.48Å; D169-T172 PolarHBondContact OD1-N 2.53Å; D169-T172 PolarHBondContact OD1-OG1 3.24Å; D169-H173 VanDerWaalsContact O-CA 3.25Å; D169-H173 WeakPolarHBondContact O-CA 3.45Å; D169-H173 PolarHBondContact O-N 3.42Å; D169-R174 PolarHBondContact N-O 2.9Å; D169-K176 HydrophobicContact CB-CD 3.76Å; D169-K176 HydrophobicContact CB-CG 3.93Å; D169-K176 VanDerWaalsContact OD2-CE 3.24Å; D169-K176 WeakPolarHBondContact OD2-CE 3.17Å; D169-K176 IonicContact OD2-NZ 2.71Å; D169-K176 PolarHBondContact OD2-NZ 3.32Å
170	A	93.7	Very high	93.3	Very high	14 Å²	14	61.7 Å²	61.7	12%	0.116	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.7	-172.9	0	0	0	0	0	114.9	W149 Q154 I156 I168 H173	W149-A170 HydrophobicContact CH2-CB 3.22Å; W149-A170 HydrophobicContact CZ2-CB 4.47Å; W149-A170 HydrophobicContact CZ3-CB 3.25Å; Q154-A170 WeakPolarHBondContact O-CB 3.34Å; Q154-A170 PolarHBondContact O-N 3.24Å; I156-A170 HydrophobicContact CD1-CB 4.22Å; I156-A170 HydrophobicContact CG1-CB 4.46Å; I168-A170 PolarHBondContact O-N 2.89Å; A170-H173 PolarHBondContact O-CE1 3.38Å; A170-H173 PolarHBondContact O-ND1 2.59Å
171	K	93	Very high	93.1	Very high	156 Å²	156	62.7 Å²	62.7	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-40.4	179.8	-68	179.3	-178.6	169	0	111.5	D169	D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.2Å; D169-K171 PolarHBondContact OD1-N 3.32Å; D169-K171 VanDerWaalsContact OD1-N 3.1Å
172	T	94.6	Very high	92.9	Very high	82 Å²	82	66.8 Å²	66.8	50%	0.503	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.1	-178.8	61.2	0	0	0	0	112.7	D169 R174	D169-T172 VanDerWaalsContact CB-OG1 3.23Å; D169-T172 WeakPolarHBondContact CB-OG1 3.44Å; D169-T172 VanDerWaalsContact CG-OG1 3.25Å; D169-T172 WeakPolarHBondContact OD1-CB 3.44Å; D169-T172 WeakPolarHBondContact OD1-CG2 3.48Å; D169-T172 PolarHBondContact OD1-N 2.53Å; D169-T172 PolarHBondContact OD1-OG1 3.24Å; T172-R174 VanDerWaalsContact C-N 3.26Å; T172-R174 PolarHBondContact O-N 3.21Å
173	H	94	Very high	92.7	Very high	63 Å²	63	65.2 Å²	65.2	29%	0.292	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.8	-177.7	-48.9	-56.7	0	0	0	112.8	I126 A136 V138 D169 A170	I126-H173 WeakPolarHBondContact CD1-ND1 3.43Å; A136-H173 HydrophobicContact CB-CB 3.89Å; A136-H173 VanDerWaalsContact CB-CG 3.46Å; V138-H173 HydrophobicContact CG2-CB 4.22Å; D169-H173 VanDerWaalsContact O-CA 3.25Å; D169-H173 WeakPolarHBondContact O-CA 3.45Å; D169-H173 PolarHBondContact O-N 3.42Å; A170-H173 PolarHBondContact O-CE1 3.38Å; A170-H173 PolarHBondContact O-ND1 2.59Å
174	R	92.4	Very high	92.5	Very high	185 Å²	185	68.2 Å²	68.2	70%	0.698	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.9	-179.2	-69.1	-175.2	-178.3	-167.4	-0.3	111.5	I168 D169 T172 K176	I168-R174 WeakPolarHBondContact CA-O 3.33Å; D169-R174 PolarHBondContact N-O 2.9Å; T172-R174 VanDerWaalsContact C-N 3.26Å; T172-R174 PolarHBondContact O-N 3.21Å; R174-K176 PolarHBondContact O-N 2.98Å
175	S	93.1	Very high	92.4	Very high	55 Å²	55	67.8 Å²	67.8	39%	0.385	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	125.6	168.5	-178.6	0	0	0	0	109.5	T166 E178	T166-S175 WeakPolarHBondContact CG2-OG 3.26Å; S175-E178 PolarHBondContact OG-OE1 3.21Å
176	K	91.7	Very high	92.3	Very high	122 Å²	122	69.5 Å²	69.5	53%	0.53	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-45	176.4	-85.2	-175.6	157.2	163.9	0	111.6	F167 D169 R174	F167-K176 PolarHBondContact O-N 2.96Å; D169-K176 HydrophobicContact CB-CD 3.76Å; D169-K176 HydrophobicContact CB-CG 3.93Å; D169-K176 VanDerWaalsContact OD2-CE 3.24Å; D169-K176 WeakPolarHBondContact OD2-CE 3.17Å; D169-K176 IonicContact OD2-NZ 2.71Å; D169-K176 PolarHBondContact OD2-NZ 3.32Å; R174-K176 PolarHBondContact O-N 2.98Å
177	A	91.6	Very high	92.2	Very high	31 Å²	31	71 Å²	71	26%	0.256	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.8	-175.8	0	0	0	0	0	110	F167 L214	F167-A177 HydrophobicContact CB-CB 4.3Å; F167-A177 HydrophobicContact CD2-CB 4.04Å; F167-A177 PolarHBondContact N-O 2.59Å; F167-A177 PolarHBondContact O-N 3.43Å; A177-L214 HydrophobicContact CB-CD1 3.94Å
178	E	92.7	Very high	92.2	Very high	74 Å²	74	70.9 Å²	70.9	35%	0.346	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120.6	175.4	-73.2	176.6	-164.1	0	0	107.7	K141 V164 V165 T166 S175	K141-E178 WeakPolarHBondContact CD-OE2 3.19Å; K141-E178 WeakPolarHBondContact CE-OE2 3.16Å; K141-E178 IonicContact NZ-OE2 3.07Å; K141-E178 PolarHBondContact NZ-OE2 3.14Å; V164-E178 HydrophobicContact CG1-CB 4.43Å; V165-E178 WeakPolarHBondContact O-CA 3.48Å; T166-E178 HydrophobicContact CG2-CG 3.78Å; S175-E178 PolarHBondContact OG-OE1 3.21Å
179	E	93.1	Very high	92.2	Very high	77 Å²	77	71.6 Å²	71.6	36%	0.36	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	178.3	-69.1	-60	148.9	0	0	109	V164 V165 F181 L214	V164-E179 WeakPolarHBondContact CA-O 3.26Å; V165-E179 PolarHBondContact N-O 2.68Å; V165-E179 PolarHBondContact O-N 3.29Å; E179-F181 HydrophobicContact CB-CE2 3.94Å; E179-F181 HydrophobicContact CB-CZ 4.11Å; E179-L214 HydrophobicContact CG-CB 4.18Å; E179-L214 HydrophobicContact CG-CD1 3.68Å; E179-L214 HydrophobicContact CG-CG 4.47Å
180	Q	91.4	Very high	92.2	Very high	142 Å²	142	71.4 Å²	71.4	66%	0.664	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.9	176	-175.3	169	29.1	0	0	109.7	V164	V164-Q180 HydrophobicContact CG2-CB 4.26Å; V164-Q180 HydrophobicContact CG2-CG 4.1Å
181	F	87.7	Confident	92.3	Very high	27 Å²	27	71 Å²	71	12%	0.118	34%	0.336	C	S	.	.			trans	-85.9	148.3	170.7	-61.2	-80.3	0	0	0	109.1	D163 V165 E179 F183 V185 L199 L209	D163-F181 HydrophobicContact CB-CB 4.41Å; D163-F181 WeakPolarHBondContact CB-O 3.48Å; D163-F181 PolarHBondContact O-N 3.14Å; V165-F181 HydrophobicContact CB-CD2 4.45Å; V165-F181 HydrophobicContact CB-CE2 3.91Å; V165-F181 HydrophobicContact CG2-CD2 3.82Å; V165-F181 HydrophobicContact CG2-CE2 3.58Å; E179-F181 HydrophobicContact CB-CE2 3.94Å; E179-F181 HydrophobicContact CB-CZ 4.11Å; F181-F183 VanDerWaalsContact C-N 3.32Å; F181-F183 HydrophobicContact CB-CD1 4.48Å; F181-F183 HydrophobicContact CB-CD2 4.49Å; F181-F183 HydrophobicContact CB-CE1 4.09Å; F181-F183 HydrophobicContact CB-CE2 4.1Å; F181-F183 HydrophobicContact CB-CZ 3.86Å; F181-F183 AromaticContact CD1-CE1 3.96Å; F181-F183 HydrophobicContact CD1-CE1 3.96Å; F181-F183 HydrophobicContact CD1-CE2 4.36Å; F181-F183 AromaticContact CD1-CZ 3.52Å; F181-F183 HydrophobicContact CD1-CZ 3.52Å; F181-F183 HydrophobicContact CE1-CZ 4.45Å; F181-F183 HydrophobicContact CG-CE1 4.47Å; F181-F183 HydrophobicContact CG-CE2 4.41Å; F181-F183 AromaticContact CG-CZ 3.96Å; F181-F183 HydrophobicContact CG-CZ 3.96Å; F181-V185 HydrophobicContact CB-CG2 3.86Å; F181-V185 HydrophobicContact CD2-CG2 4.03Å; F181-V185 HydrophobicContact CG-CG2 4.08Å; F181-L199 HydrophobicContact CD1-CD1 4.46Å; F181-L199 HydrophobicContact CD1-CD2 4.19Å; F181-L199 HydrophobicContact CD2-CD2 4.43Å; F181-L199 HydrophobicContact CE1-CD2 3.55Å; F181-L199 HydrophobicContact CE2-CD2 3.83Å; F181-L199 HydrophobicContact CZ-CD2 3.35Å; F181-L209 HydrophobicContact CE1-CD1 4.44Å; F181-L209 HydrophobicContact CE1-CD2 3.95Å; F181-L209 HydrophobicContact CZ-CD2 3.87Å
182	K	87.4	Confident	92.3	Very high	203 Å²	203	66.7 Å²	66.7	88%	0.883	32%	0.32	S	S	*	.	S	Bend	trans	-101.5	25.7	-179.9	-64.1	-176	179.6	178.8	0	111.8
183	F	86.6	Confident	92.2	Very high	59 Å²	59	68.4 Å²	68.4	26%	0.259	33%	0.326	S	S	.	.	S	Bend	trans	-150.7	153.7	-179.3	55.7	-99.9	0	0	0	107.7	F181 V185 L199 N201 N207	F181-F183 VanDerWaalsContact C-N 3.32Å; F181-F183 HydrophobicContact CB-CD1 4.48Å; F181-F183 HydrophobicContact CB-CD2 4.49Å; F181-F183 HydrophobicContact CB-CE1 4.09Å; F181-F183 HydrophobicContact CB-CE2 4.1Å; F181-F183 HydrophobicContact CB-CZ 3.86Å; F181-F183 AromaticContact CD1-CE1 3.96Å; F181-F183 HydrophobicContact CD1-CE1 3.96Å; F181-F183 HydrophobicContact CD1-CE2 4.36Å; F181-F183 AromaticContact CD1-CZ 3.52Å; F181-F183 HydrophobicContact CD1-CZ 3.52Å; F181-F183 HydrophobicContact CE1-CZ 4.45Å; F181-F183 HydrophobicContact CG-CE1 4.47Å; F181-F183 HydrophobicContact CG-CE2 4.41Å; F181-F183 AromaticContact CG-CZ 3.96Å; F181-F183 HydrophobicContact CG-CZ 3.96Å; F183-V185 HydrophobicContact CD2-CG2 4.38Å; F183-V185 HydrophobicContact CE2-CG2 4.04Å; F183-V185 PolarHBondContact O-N 2.97Å; F183-L199 HydrophobicContact CE2-CD1 3.4Å; F183-L199 VanDerWaalsContact CE2-CD1 3.4Å; F183-L199 HydrophobicContact CZ-CD1 3.5Å; F183-L199 VanDerWaalsContact CZ-CD1 3.5Å; F183-N201 HydrophobicContact CD2-CB 3.42Å; F183-N201 VanDerWaalsContact CD2-CB 3.42Å; F183-N201 HydrophobicContact CE2-CB 3.81Å; F183-N201 HydrophobicContact CG-CB 4.3Å; F183-N207 WeakPolarHBondContact CE2-ND2 3.14Å; F183-N207 WeakPolarHBondContact CZ-ND2 3.44Å
184	E	86.4	Confident	92.2	Very high	102 Å²	102	66.8 Å²	66.8	48%	0.477	32%	0.32	S	S	.	.			trans	-57.1	121.7	179.7	-173.7	175.7	-148.4	0	0	111	D163 N201 G202	D163-E184 VanDerWaalsContact OD1-CA 3.27Å; D163-E184 WeakPolarHBondContact OD1-CA 3.45Å; E184-N201 WeakPolarHBondContact O-CA 3.32Å; E184-N201 WeakPolarHBondContact O-CB 3.47Å; E184-G202 PolarHBondContact O-N 3.28Å
185	V	90.8	Very high	92.3	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109	174.6	-179.2	0	0	0	0	109.4	D163 F181 F183 I188 L199 T200	D163-V185 PolarHBondContact OD1-N 2.84Å; F181-V185 HydrophobicContact CB-CG2 3.86Å; F181-V185 HydrophobicContact CD2-CG2 4.03Å; F181-V185 HydrophobicContact CG-CG2 4.08Å; F183-V185 HydrophobicContact CD2-CG2 4.38Å; F183-V185 HydrophobicContact CE2-CG2 4.04Å; F183-V185 PolarHBondContact O-N 2.97Å; V185-I188 HydrophobicContact CG1-CG2 3.59Å; V185-L199 HydrophobicContact CG1-CB 4.27Å; V185-T200 WeakPolarHBondContact CA-O 3.48Å
186	N	92.6	Very high	92.4	Very high	36 Å²	36	61.3 Å²	61.3	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-37	-174.3	-72.9	-37.9	0	0	0	113.8	N146 T200 C227	N146-N186 PolarHBondContact ND2-O 2.87Å; N186-T200 PolarHBondContact N-O 2.85Å; N186-T200 VanDerWaalsContact N-O 3.15Å; N186-C227 VanDerWaalsContact CB-O 3.3Å; N186-C227 WeakPolarHBondContact CB-O 3.39Å; N186-C227 PolarHBondContact ND2-O 3.1Å; N186-C227 VanDerWaalsContact ND2-O 3.16Å
187	E	95	Very high	92.7	Very high	34 Å²	34	55.5 Å²	55.5	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	149.6	179.1	-171.6	62.7	-96.3	0	0	109.5	L199 T200 I228 I230	E187-L199 WeakPolarHBondContact O-CA 3.36Å; E187-T200 PolarHBondContact N-OG1 3.19Å; E187-T200 PolarHBondContact O-N 2.8Å; E187-T200 PolarHBondContact O-OG1 2.95Å; E187-I228 WeakPolarHBondContact CB-O 3.14Å; E187-I230 HydrophobicContact CB-CG2 4.06Å; E187-I230 HydrophobicContact CG-CG2 3.73Å
188	I	96.1	Very high	92.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143	-179	53.6	171.2	0	0	0	110.7	N146 A157 V165 V185 F197 F198 L199	N146-I188 HydrophobicContact CB-CG1 4.23Å; A157-I188 HydrophobicContact CB-CD1 3.93Å; V165-I188 HydrophobicContact CG1-CD1 4.49Å; V165-I188 HydrophobicContact CG2-CG2 4.29Å; V185-I188 HydrophobicContact CG1-CG2 3.59Å; I188-F197 HydrophobicContact CB-CE1 4.36Å; I188-F197 HydrophobicContact CB-CE2 4.26Å; I188-F197 HydrophobicContact CB-CZ 3.64Å; I188-F197 HydrophobicContact CD1-CZ 4.19Å; I188-F197 HydrophobicContact CG1-CZ 4.46Å; I188-F197 HydrophobicContact CG2-CE1 4.14Å; I188-F197 HydrophobicContact CG2-CZ 3.83Å; I188-F198 WeakPolarHBondContact CA-O 3.5Å; I188-L199 HydrophobicContact CG2-CB 4.05Å
189	S	96.8	Very high	93	Very high	17 Å²	17	50.7 Å²	50.7	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.8	179.3	-146.5	0	0	0	0	112.6	F198	S189-F198 PolarHBondContact N-O 2.83Å; S189-F198 PolarHBondContact O-N 2.83Å
190	W	96.2	Very high	93.1	Very high	9 Å²	9	47 Å²	47	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.5	174.5	-66.9	82.4	0	0	0	109.3	W149 P151 A157 F167 N194 F197 Y211 F232	W149-W190 VanDerWaalsContact O-CD1 3.28Å; P151-W190 HydrophobicContact CG-CB 4.24Å; A157-W190 HydrophobicContact CB-CZ2 4.22Å; F167-W190 HydrophobicContact CD1-CH2 4.22Å; F167-W190 AromaticContact CD1-CZ2 3.77Å; F167-W190 HydrophobicContact CD1-CZ2 3.77Å; F167-W190 HydrophobicContact CE1-CH2 4.05Å; F167-W190 AromaticContact CE1-CZ2 3.59Å; F167-W190 HydrophobicContact CE1-CZ2 3.59Å; W190-N194 VanDerWaalsContact CE3-OD1 3.3Å; W190-N194 VanDerWaalsContact CZ3-OD1 3.27Å; W190-N194 WeakPolarHBondContact CZ3-OD1 3.45Å; W190-F197 AromaticContact CD2-CD2 3.78Å; W190-F197 HydrophobicContact CD2-CD2 3.78Å; W190-F197 HydrophobicContact CD2-CE2 4.34Å; W190-F197 AromaticContact CE2-CD2 3.6Å; W190-F197 AromaticContact CE2-CE2 3.79Å; W190-F197 HydrophobicContact CE3-CD2 4.28Å; W190-F197 HydrophobicContact CG-CD2 4.16Å; W190-F197 HydrophobicContact CH2-CD2 4.47Å; W190-F197 AromaticContact CZ2-CD2 3.97Å; W190-F197 HydrophobicContact CZ2-CD2 3.97Å; W190-F197 HydrophobicContact CZ2-CE2 4.21Å; W190-F197 AromaticContact NE1-CD2 3.82Å; W190-F197 AromaticContact NE1-CE2 3.6Å; W190-Y211 HydrophobicContact CE3-CG 4.44Å; W190-Y211 AromaticContact CH2-CD1 3.94Å; W190-Y211 HydrophobicContact CH2-CD1 3.94Å; W190-Y211 AromaticContact CH2-CD2 3.28Å; W190-Y211 HydrophobicContact CH2-CD2 3.28Å; W190-Y211 AromaticContact CH2-CE1 3.85Å; W190-Y211 HydrophobicContact CH2-CE1 3.85Å; W190-Y211 AromaticContact CH2-CE2 3.32Å; W190-Y211 HydrophobicContact CH2-CE2 3.32Å; W190-Y211 AromaticContact CH2-CG 3.63Å; W190-Y211 HydrophobicContact CH2-CG 3.63Å; W190-Y211 AromaticContact CH2-CZ 3.54Å; W190-Y211 HydrophobicContact CZ2-CD2 4.49Å; W190-Y211 HydrophobicContact CZ2-CE2 4.44Å; W190-Y211 AromaticContact CZ3-CD1 3.4Å; W190-Y211 HydrophobicContact CZ3-CD1 3.4Å; W190-Y211 VanDerWaalsContact CZ3-CD1 3.4Å; W190-Y211 AromaticContact CZ3-CD2 3.5Å; W190-Y211 HydrophobicContact CZ3-CD2 3.5Å; W190-Y211 VanDerWaalsContact CZ3-CD2 3.5Å; W190-Y211 AromaticContact CZ3-CE1 3.65Å; W190-Y211 HydrophobicContact CZ3-CE1 3.65Å; W190-Y211 AromaticContact CZ3-CE2 3.86Å; W190-Y211 HydrophobicContact CZ3-CE2 3.86Å; W190-Y211 AromaticContact CZ3-CG 3.27Å; W190-Y211 HydrophobicContact CZ3-CG 3.27Å; W190-Y211 AromaticContact CZ3-CZ 3.87Å; W190-F232 WeakPolarHBondContact O-CD2 3.34Å
191	N	94.9	Very high	93.1	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	20%	0.199	C	C	.	.			trans	-73.9	160.4	163.4	83.4	-38.8	0	0	0	110.5	P151 D193 N194 N195 M196 F198 F232	P151-N191 WeakPolarHBondContact CG-O 3.48Å; N191-D193 VanDerWaalsContact C-N 3.28Å; N191-D193 PolarHBondContact O-N 2.79Å; N191-N194 PolarHBondContact O-N 3.08Å; N191-N194 VanDerWaalsContact O-N 3.15Å; N191-N194 PolarHBondContact OD1-N 2.95Å; N191-N195 VanDerWaalsContact CG-OD1 3.31Å; N191-N195 PolarHBondContact ND2-OD1 2.89Å; N191-N195 PolarHBondContact OD1-N 2.88Å; N191-N195 VanDerWaalsContact OD1-N 3.12Å; N191-N195 PolarHBondContact OD1-OD1 2.78Å; N191-M196 HydrophobicContact CB-CB 4.26Å; N191-M196 PolarHBondContact N-O 3.04Å; N191-M196 VanDerWaalsContact N-O 3.13Å; N191-M196 PolarHBondContact OD1-N 2.78Å; N191-M196 PolarHBondContact OD1-O 2.72Å; N191-M196 VanDerWaalsContact OD1-O 3.06Å; N191-F198 HydrophobicContact CB-CE1 3.98Å; N191-F232 HydrophobicContact CB-CE1 3.99Å; N191-F232 HydrophobicContact CB-CZ 4.14Å
192	N	93	Very high	93.1	Very high	65 Å²	65	39.9 Å²	39.9	35%	0.348	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.1	-173.9	-69.6	-22.3	0	0	0	113.8	P151 N194 D233 G236	P151-N192 WeakPolarHBondContact CB-O 3.28Å; N192-N194 PolarHBondContact O-N 2.83Å; N192-D233 PolarHBondContact ND2-O 2.93Å; N192-G236 WeakPolarHBondContact ND2-CA 3.49Å; N192-G236 PolarHBondContact ND2-N 3.03Å; N192-G236 VanDerWaalsContact ND2-N 3.16Å
193	D	92.9	Very high	93.3	Very high	117 Å²	117	36 Å²	36	63%	0.626	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5	177.8	-62.3	-31.3	0	0	0	113.7	N191 N195	N191-D193 VanDerWaalsContact C-N 3.28Å; N191-D193 PolarHBondContact O-N 2.79Å; D193-N195 PolarHBondContact O-N 2.79Å
194	N	94.5	Very high	93.5	Very high	29 Å²	29	33.2 Å²	33.2	16%	0.155	18%	0.176	C	C	.	.	S	Bend	trans	58.3	32.9	179.1	-165.2	30.8	0	0	0	113.4	S150 P151 D152 W190 N191 N192 Y211	S150-N194 WeakPolarHBondContact CB-OD1 3.44Å; P151-N194 HydrophobicContact CG-CB 4.2Å; D152-N194 PolarHBondContact OD1-ND2 2.88Å; D152-N194 PolarHBondContact OD2-ND2 3.42Å; W190-N194 VanDerWaalsContact CE3-OD1 3.3Å; W190-N194 VanDerWaalsContact CZ3-OD1 3.27Å; W190-N194 WeakPolarHBondContact CZ3-OD1 3.45Å; N191-N194 PolarHBondContact O-N 3.08Å; N191-N194 VanDerWaalsContact O-N 3.15Å; N191-N194 PolarHBondContact OD1-N 2.95Å; N192-N194 PolarHBondContact O-N 2.83Å; N194-Y211 WeakPolarHBondContact O-CD1 3.4Å
195	N	94.3	Very high	93.9	Very high	70 Å²	70	29.1 Å²	29.1	37%	0.374	16%	0.158	S	C	.	.	S	Bend	trans	-120.3	-12.2	179.2	67.1	-5.8	0	0	0	112.7	N191 D193 Y211	N191-N195 VanDerWaalsContact CG-OD1 3.31Å; N191-N195 PolarHBondContact ND2-OD1 2.89Å; N191-N195 PolarHBondContact OD1-N 2.88Å; N191-N195 VanDerWaalsContact OD1-N 3.12Å; N191-N195 PolarHBondContact OD1-OD1 2.78Å; D193-N195 PolarHBondContact O-N 2.79Å; N195-Y211 PolarHBondContact O-N 3.44Å
196	M	95.3	Very high	94.1	Very high	55 Å²	55	28.7 Å²	28.7	27%	0.271	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.2	179.6	-63.5	-67.5	-176.3	0	0	110.8	N191 F198 I208 L209 V217	N191-M196 HydrophobicContact CB-CB 4.26Å; N191-M196 PolarHBondContact N-O 3.04Å; N191-M196 VanDerWaalsContact N-O 3.13Å; N191-M196 PolarHBondContact OD1-N 2.78Å; N191-M196 PolarHBondContact OD1-O 2.72Å; N191-M196 VanDerWaalsContact OD1-O 3.06Å; M196-F198 HydrophobicContact CB-CD1 4.26Å; M196-F198 HydrophobicContact CB-CE1 3.62Å; M196-I208 HydrophobicContact CB-CG2 4.32Å; M196-I208 HydrophobicContact CG-CG2 4.49Å; M196-I208 HydrophobicContact SD-CG2 4.13Å; M196-L209 CarbonylContact C-O 3.55Å; M196-L209 VanDerWaalsContact CA-O 3.29Å; M196-L209 WeakPolarHBondContact CA-O 3.3Å; M196-V217 HydrophobicContact CE-CG2 4.4Å; M196-V217 HydrophobicContact SD-CG2 4.1Å
197	F	96.6	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.5	178.8	-173.3	-104.3	0	0	0	109.9	A157 V165 F167 I188 W190 L199 I208 L209	A157-F197 HydrophobicContact CB-CE2 3.69Å; A157-F197 HydrophobicContact CB-CZ 3.95Å; V165-F197 HydrophobicContact CG1-CE1 4.17Å; V165-F197 HydrophobicContact CG1-CZ 3.96Å; F167-F197 HydrophobicContact CE1-CD2 4.1Å; F167-F197 HydrophobicContact CE1-CE1 4.41Å; F167-F197 AromaticContact CE1-CE2 3.9Å; F167-F197 HydrophobicContact CE1-CE2 3.9Å; F167-F197 HydrophobicContact CE1-CG 4.42Å; F167-F197 HydrophobicContact CE1-CZ 4.05Å; F167-F197 HydrophobicContact CZ-CD1 4.12Å; F167-F197 HydrophobicContact CZ-CD2 4.42Å; F167-F197 AromaticContact CZ-CE1 3.94Å; F167-F197 HydrophobicContact CZ-CE1 3.94Å; F167-F197 HydrophobicContact CZ-CE2 4.26Å; F167-F197 HydrophobicContact CZ-CG 4.34Å; F167-F197 AromaticContact CZ-CZ 3.99Å; F167-F197 HydrophobicContact CZ-CZ 3.99Å; I188-F197 HydrophobicContact CB-CE1 4.36Å; I188-F197 HydrophobicContact CB-CE2 4.26Å; I188-F197 HydrophobicContact CB-CZ 3.64Å; I188-F197 HydrophobicContact CD1-CZ 4.19Å; I188-F197 HydrophobicContact CG1-CZ 4.46Å; I188-F197 HydrophobicContact CG2-CE1 4.14Å; I188-F197 HydrophobicContact CG2-CZ 3.83Å; W190-F197 AromaticContact CD2-CD2 3.78Å; W190-F197 HydrophobicContact CD2-CD2 3.78Å; W190-F197 HydrophobicContact CD2-CE2 4.34Å; W190-F197 AromaticContact CE2-CD2 3.6Å; W190-F197 AromaticContact CE2-CE2 3.79Å; W190-F197 HydrophobicContact CE3-CD2 4.28Å; W190-F197 HydrophobicContact CG-CD2 4.16Å; W190-F197 HydrophobicContact CH2-CD2 4.47Å; W190-F197 AromaticContact CZ2-CD2 3.97Å; W190-F197 HydrophobicContact CZ2-CD2 3.97Å; W190-F197 HydrophobicContact CZ2-CE2 4.21Å; W190-F197 AromaticContact NE1-CD2 3.82Å; W190-F197 AromaticContact NE1-CE2 3.6Å; F197-L199 HydrophobicContact CD1-CD2 4.17Å; F197-L199 HydrophobicContact CE1-CD2 4.06Å; F197-I208 WeakPolarHBondContact O-CA 3.27Å; F197-L209 HydrophobicContact CB-CB 4.47Å; F197-L209 PolarHBondContact N-O 3.11Å; F197-L209 PolarHBondContact O-N 3.47Å
198	F	96.8	Very high	94.3	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.5	-172.5	-72.5	59.1	0	0	0	108.8	I188 S189 N191 M196 I206 N207 I208 I230 F232 F239 L256	I188-F198 WeakPolarHBondContact CA-O 3.5Å; S189-F198 PolarHBondContact N-O 2.83Å; S189-F198 PolarHBondContact O-N 2.83Å; N191-F198 HydrophobicContact CB-CE1 3.98Å; M196-F198 HydrophobicContact CB-CD1 4.26Å; M196-F198 HydrophobicContact CB-CE1 3.62Å; F198-I206 HydrophobicContact CD2-CG2 3.98Å; F198-N207 WeakPolarHBondContact CA-O 3.26Å; F198-I208 HydrophobicContact CD1-CG2 4.42Å; F198-I208 HydrophobicContact CD2-CD1 4.36Å; F198-I208 HydrophobicContact CD2-CG1 3.93Å; F198-I208 HydrophobicContact CE1-CG2 3.97Å; F198-I208 HydrophobicContact CE2-CD1 3.74Å; F198-I208 HydrophobicContact CE2-CG1 3.77Å; F198-I208 HydrophobicContact CG-CG1 4.4Å; F198-I208 HydrophobicContact CZ-CD1 4.04Å; F198-I208 HydrophobicContact CZ-CG1 4.1Å; F198-I208 HydrophobicContact CZ-CG2 4.05Å; F198-I230 HydrophobicContact CB-CD1 4.07Å; F198-I230 HydrophobicContact CD2-CD1 4.05Å; F198-I230 HydrophobicContact CG-CD1 4.49Å; F198-F232 HydrophobicContact CB-CE2 4.2Å; F198-F232 HydrophobicContact CB-CZ 4.47Å; F198-F232 HydrophobicContact CD1-CE2 4.08Å; F198-F232 AromaticContact CD1-CZ 3.64Å; F198-F232 HydrophobicContact CD1-CZ 3.64Å; F198-F232 HydrophobicContact CD2-CE2 4.13Å; F198-F232 AromaticContact CD2-CZ 3.65Å; F198-F232 HydrophobicContact CD2-CZ 3.65Å; F198-F232 HydrophobicContact CE1-CE1 4.43Å; F198-F232 AromaticContact CE1-CZ 3.66Å; F198-F232 HydrophobicContact CE1-CZ 3.66Å; F198-F232 HydrophobicContact CE2-CE1 4.43Å; F198-F232 AromaticContact CE2-CZ 3.65Å; F198-F232 HydrophobicContact CE2-CZ 3.65Å; F198-F232 AromaticContact CG-CE2 3.89Å; F198-F232 HydrophobicContact CG-CE2 3.89Å; F198-F232 AromaticContact CG-CZ 3.67Å; F198-F232 HydrophobicContact CG-CZ 3.67Å; F198-F232 HydrophobicContact CZ-CE1 4.27Å; F198-F232 AromaticContact CZ-CZ 3.68Å; F198-F232 HydrophobicContact CZ-CZ 3.68Å; F198-F239 HydrophobicContact CE2-CD1 4.49Å; F198-F239 HydrophobicContact CE2-CE1 4.19Å; F198-F239 HydrophobicContact CE2-CZ 4.26Å; F198-L256 HydrophobicContact CE2-CD2 4.33Å; F198-L256 HydrophobicContact CZ-CD2 4.34Å
199	L	95.2	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.1	176.2	58.2	95.4	0	0	0	110.8	F181 F183 V185 E187 I188 F197 I206 N207 L209	F181-L199 HydrophobicContact CD1-CD1 4.46Å; F181-L199 HydrophobicContact CD1-CD2 4.19Å; F181-L199 HydrophobicContact CD2-CD2 4.43Å; F181-L199 HydrophobicContact CE1-CD2 3.55Å; F181-L199 HydrophobicContact CE2-CD2 3.83Å; F181-L199 HydrophobicContact CZ-CD2 3.35Å; F183-L199 HydrophobicContact CE2-CD1 3.4Å; F183-L199 VanDerWaalsContact CE2-CD1 3.4Å; F183-L199 HydrophobicContact CZ-CD1 3.5Å; F183-L199 VanDerWaalsContact CZ-CD1 3.5Å; V185-L199 HydrophobicContact CG1-CB 4.27Å; E187-L199 WeakPolarHBondContact O-CA 3.36Å; I188-L199 HydrophobicContact CG2-CB 4.05Å; F197-L199 HydrophobicContact CD1-CD2 4.17Å; F197-L199 HydrophobicContact CE1-CD2 4.06Å; L199-I206 WeakPolarHBondContact O-CA 3.33Å; L199-N207 HydrophobicContact CD1-CB 3.56Å; L199-N207 HydrophobicContact CG-CB 3.9Å; L199-N207 PolarHBondContact N-O 2.87Å; L199-N207 PolarHBondContact O-N 3.42Å; L199-L209 HydrophobicContact CD2-CD1 3.42Å; L199-L209 VanDerWaalsContact CD2-CD1 3.42Å; L199-L209 HydrophobicContact CG-CD1 4.01Å
200	T	94.5	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	152.2	179.1	64.3	0	0	0	0	110.1	V185 N186 E187 C227 I230	V185-T200 WeakPolarHBondContact CA-O 3.48Å; N186-T200 PolarHBondContact N-O 2.85Å; N186-T200 VanDerWaalsContact N-O 3.15Å; E187-T200 PolarHBondContact N-OG1 3.19Å; E187-T200 PolarHBondContact O-N 2.8Å; E187-T200 PolarHBondContact O-OG1 2.95Å; T200-C227 WeakPolarHBondContact CB-O 3.18Å; T200-C227 HydrophobicContact CG2-CB 4.21Å; T200-C227 WeakPolarHBondContact CG2-SG 3.41Å; T200-C227 PolarHBondContact OG1-O 3.09Å; T200-C227 VanDerWaalsContact OG1-O 3.13Å; T200-I230 HydrophobicContact CG2-CB 3.81Å; T200-I230 HydrophobicContact CG2-CG2 3.71Å
201	N	90.8	Very high	94.1	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	169.2	177.1	75.3	14.5	0	0	0	114.9	F183 E184 N203 G204 C205 C227	F183-N201 HydrophobicContact CD2-CB 3.42Å; F183-N201 VanDerWaalsContact CD2-CB 3.42Å; F183-N201 HydrophobicContact CE2-CB 3.81Å; F183-N201 HydrophobicContact CG-CB 4.3Å; E184-N201 WeakPolarHBondContact O-CA 3.32Å; E184-N201 WeakPolarHBondContact O-CB 3.47Å; N201-N203 PolarHBondContact O-N 3.24Å; N201-N203 VanDerWaalsContact O-N 3.15Å; N201-N203 WeakPolarHBondContact OD1-CA 3.45Å; N201-N203 PolarHBondContact OD1-N 3.22Å; N201-G204 PolarHBondContact O-N 3.15Å; N201-G204 PolarHBondContact OD1-N 3.22Å; N201-C205 PolarHBondContact N-O 2.76Å; N201-C205 WeakPolarHBondContact ND2-CB 3Å; N201-C205 WeakPolarHBondContact OD1-CA 3.4Å; N201-C205 WeakPolarHBondContact OD1-CB 3.25Å; N201-C205 PolarHBondContact OD1-N 3.4Å; N201-C205 PolarHBondContact OD1-O 2.74Å; N201-C227 PolarHBondContact O-N 3.04Å
202	G	88.6	Confident	93.9	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.1	175.3	0	0	0	0	0	115.3	E184 N226	E184-G202 PolarHBondContact O-N 3.28Å; G202-N226 PolarHBondContact O-OD1 2.98Å
203	N	90.9	Very high	93.8	Very high	123 Å²	123	34.9 Å²	34.9	66%	0.658	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.1	177.9	-67.9	-14.5	0	0	0	113.1	N201 C205	N201-N203 PolarHBondContact O-N 3.24Å; N201-N203 VanDerWaalsContact O-N 3.15Å; N201-N203 WeakPolarHBondContact OD1-CA 3.45Å; N201-N203 PolarHBondContact OD1-N 3.22Å; N203-C205 VanDerWaalsContact C-N 3.27Å; N203-C205 PolarHBondContact O-N 3.41Å
204	G	91.6	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	77.2	12.6	-177.7	0	0	0	0	0	114.2	N201 A222 H223 S225	N201-G204 PolarHBondContact O-N 3.15Å; N201-G204 PolarHBondContact OD1-N 3.22Å; G204-A222 PolarHBondContact O-N 2.84Å; G204-A222 VanDerWaalsContact O-N 3.12Å; G204-H223 WeakPolarHBondContact CA-O 3.4Å; G204-H223 PolarHBondContact O-N 2.86Å; G204-S225 WeakPolarHBondContact CA-O 3.29Å
205	C	93.9	Very high	93.6	Very high	15 Å²	15	35.2 Å²	35.2	10%	0.101	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	151.4	175	-41.7	0	0	0	0	111.3	N201 N203 I220 N221	N201-C205 PolarHBondContact N-O 2.76Å; N201-C205 WeakPolarHBondContact ND2-CB 3Å; N201-C205 WeakPolarHBondContact OD1-CA 3.4Å; N201-C205 WeakPolarHBondContact OD1-CB 3.25Å; N201-C205 PolarHBondContact OD1-N 3.4Å; N201-C205 PolarHBondContact OD1-O 2.74Å; N203-C205 VanDerWaalsContact C-N 3.27Å; N203-C205 PolarHBondContact O-N 3.41Å; C205-I220 CarbonylContact C-O 3.58Å; C205-I220 WeakPolarHBondContact CA-O 3.45Å; C205-N221 PolarHBondContact SG-OD1 2.56Å
206	I	95.6	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.8	168.4	-50.7	168.8	0	0	0	106.7	F198 L199 I208 S219 I220 A222 I230 F239 T241	F198-I206 HydrophobicContact CD2-CG2 3.98Å; L199-I206 WeakPolarHBondContact O-CA 3.33Å; I206-I208 HydrophobicContact CG2-CG1 4.5Å; I206-S219 CarbonylContact O-C 3.57Å; I206-S219 WeakPolarHBondContact O-CA 3.33Å; I206-I220 HydrophobicContact CB-CB 4.45Å; I206-I220 PolarHBondContact N-O 3.42Å; I206-I220 PolarHBondContact O-N 3.19Å; I206-A222 HydrophobicContact CD1-CB 3.59Å; I206-A222 HydrophobicContact CG1-CB 3.92Å; I206-I230 HydrophobicContact CG2-CD1 4.24Å; I206-F239 HydrophobicContact CD1-CE2 3.79Å; I206-T241 HydrophobicContact CD1-CG2 3.39Å; I206-T241 HydrophobicContact CG1-CG2 4.11Å
207	N	95.3	Very high	93.5	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.134	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.9	173.1	-65.2	-45.7	0	0	0	109.5	F183 F198 L199 L209 S219	F183-N207 WeakPolarHBondContact CE2-ND2 3.14Å; F183-N207 WeakPolarHBondContact CZ-ND2 3.44Å; F198-N207 WeakPolarHBondContact CA-O 3.26Å; L199-N207 HydrophobicContact CD1-CB 3.56Å; L199-N207 HydrophobicContact CG-CB 3.9Å; L199-N207 PolarHBondContact N-O 2.87Å; L199-N207 PolarHBondContact O-N 3.42Å; N207-L209 HydrophobicContact CB-CD1 4.28Å; N207-S219 VanDerWaalsContact OD1-CB 3.26Å; N207-S219 WeakPolarHBondContact OD1-CB 3.35Å; N207-S219 PolarHBondContact OD1-OG 3.26Å
208	I	95.8	Very high	93.3	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.9	-177.8	-55.7	172.4	0	0	0	107.3	M196 F197 F198 I206 V217 Q218 I220 L256	M196-I208 HydrophobicContact CB-CG2 4.32Å; M196-I208 HydrophobicContact CG-CG2 4.49Å; M196-I208 HydrophobicContact SD-CG2 4.13Å; F197-I208 WeakPolarHBondContact O-CA 3.27Å; F198-I208 HydrophobicContact CD1-CG2 4.42Å; F198-I208 HydrophobicContact CD2-CD1 4.36Å; F198-I208 HydrophobicContact CD2-CG1 3.93Å; F198-I208 HydrophobicContact CE1-CG2 3.97Å; F198-I208 HydrophobicContact CE2-CD1 3.74Å; F198-I208 HydrophobicContact CE2-CG1 3.77Å; F198-I208 HydrophobicContact CG-CG1 4.4Å; F198-I208 HydrophobicContact CZ-CD1 4.04Å; F198-I208 HydrophobicContact CZ-CG1 4.1Å; F198-I208 HydrophobicContact CZ-CG2 4.05Å; I206-I208 HydrophobicContact CG2-CG1 4.5Å; I208-V217 PolarHBondContact O-N 2.89Å; I208-Q218 HydrophobicContact CB-CB 4.47Å; I208-Q218 HydrophobicContact CD1-CB 4.48Å; I208-Q218 PolarHBondContact N-O 2.91Å; I208-Q218 PolarHBondContact O-N 3.14Å; I208-I220 HydrophobicContact CD1-CD1 3.63Å; I208-I220 HydrophobicContact CD1-CG1 4.22Å; I208-L256 HydrophobicContact CD1-CD1 3.7Å; I208-L256 HydrophobicContact CD1-CD2 3.82Å; I208-L256 HydrophobicContact CD1-CG 4.4Å
209	L	95.7	Very high	93.2	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.4	-179.6	-67.1	82.2	0	0	0	109.7	F181 M196 F197 L199 N207 K215	F181-L209 HydrophobicContact CE1-CD1 4.44Å; F181-L209 HydrophobicContact CE1-CD2 3.95Å; F181-L209 HydrophobicContact CZ-CD2 3.87Å; M196-L209 CarbonylContact C-O 3.55Å; M196-L209 VanDerWaalsContact CA-O 3.29Å; M196-L209 WeakPolarHBondContact CA-O 3.3Å; F197-L209 HydrophobicContact CB-CB 4.47Å; F197-L209 PolarHBondContact N-O 3.11Å; F197-L209 PolarHBondContact O-N 3.47Å; L199-L209 HydrophobicContact CD2-CD1 3.42Å; L199-L209 VanDerWaalsContact CD2-CD1 3.42Å; L199-L209 HydrophobicContact CG-CD1 4.01Å; N207-L209 HydrophobicContact CB-CD1 4.28Å; L209-K215 CarbonylContact C-O 3.5Å; L209-K215 VanDerWaalsContact CA-O 3.22Å; L209-K215 WeakPolarHBondContact CA-O 3.34Å
210	S	95.5	Very high	93.2	Very high	21 Å²	21	46.5 Å²	46.5	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.7	168.5	79.3	0	0	0	0	109.6	E213 L214 K215	S210-E213 PolarHBondContact OG-OE2 3.18Å; S210-L214 WeakPolarHBondContact O-CA 3.04Å; S210-L214 PolarHBondContact O-N 3.47Å; S210-K215 PolarHBondContact N-O 2.96Å
211	Y	94.1	Very high	93.1	Very high	42 Å²	42	52.9 Å²	52.9	17%	0.165	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	135.2	170.8	176.5	-93	0	0	0	109.1	T155 W190 N194 N195 L214	T155-Y211 PolarHBondContact OG1-OH 2.82Å; W190-Y211 HydrophobicContact CE3-CG 4.44Å; W190-Y211 AromaticContact CH2-CD1 3.94Å; W190-Y211 HydrophobicContact CH2-CD1 3.94Å; W190-Y211 AromaticContact CH2-CD2 3.28Å; W190-Y211 HydrophobicContact CH2-CD2 3.28Å; W190-Y211 AromaticContact CH2-CE1 3.85Å; W190-Y211 HydrophobicContact CH2-CE1 3.85Å; W190-Y211 AromaticContact CH2-CE2 3.32Å; W190-Y211 HydrophobicContact CH2-CE2 3.32Å; W190-Y211 AromaticContact CH2-CG 3.63Å; W190-Y211 HydrophobicContact CH2-CG 3.63Å; W190-Y211 AromaticContact CH2-CZ 3.54Å; W190-Y211 HydrophobicContact CZ2-CD2 4.49Å; W190-Y211 HydrophobicContact CZ2-CE2 4.44Å; W190-Y211 AromaticContact CZ3-CD1 3.4Å; W190-Y211 HydrophobicContact CZ3-CD1 3.4Å; W190-Y211 VanDerWaalsContact CZ3-CD1 3.4Å; W190-Y211 AromaticContact CZ3-CD2 3.5Å; W190-Y211 HydrophobicContact CZ3-CD2 3.5Å; W190-Y211 VanDerWaalsContact CZ3-CD2 3.5Å; W190-Y211 AromaticContact CZ3-CE1 3.65Å; W190-Y211 HydrophobicContact CZ3-CE1 3.65Å; W190-Y211 AromaticContact CZ3-CE2 3.86Å; W190-Y211 HydrophobicContact CZ3-CE2 3.86Å; W190-Y211 AromaticContact CZ3-CG 3.27Å; W190-Y211 HydrophobicContact CZ3-CG 3.27Å; W190-Y211 AromaticContact CZ3-CZ 3.87Å; N194-Y211 WeakPolarHBondContact O-CD1 3.4Å; N195-Y211 PolarHBondContact O-N 3.44Å; Y211-L214 HydrophobicContact CD2-CD2 4.23Å
212	P	90.6	Very high	93.2	Very high	84 Å²	84	53.4 Å²	53.4	55%	0.545	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.7	-1	14	36.4	-37.2	0	0	0	117	L214	P212-L214 VanDerWaalsContact C-N 3.26Å; P212-L214 PolarHBondContact O-N 2.95Å
213	E	90.6	Very high	93.5	Very high	117 Å²	117	53.6 Å²	53.6	55%	0.547	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.9	-173	-56.3	76	-163.3	0	0	114.2	S210 K215	S210-E213 PolarHBondContact OG-OE2 3.18Å; E213-K215 HydrophobicContact CB-CD 4.35Å; E213-K215 HydrophobicContact CB-CG 4.06Å; E213-K215 PolarHBondContact O-N 3.16Å
214	L	91	Very high	93.7	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	30%	0.3	C	S	.	.			trans	54.8	35.7	-179	-61.1	170.9	0	0	0	112.8	F167 A177 E179 S210 Y211 P212	F167-L214 HydrophobicContact CD2-CD1 3.75Å; F167-L214 HydrophobicContact CE1-CD2 4.29Å; F167-L214 HydrophobicContact CE2-CD1 3.48Å; F167-L214 VanDerWaalsContact CE2-CD1 3.48Å; F167-L214 HydrophobicContact CE2-CD2 3.65Å; F167-L214 HydrophobicContact CE2-CG 4.24Å; F167-L214 HydrophobicContact CZ-CD1 4.22Å; F167-L214 HydrophobicContact CZ-CD2 3.51Å; A177-L214 HydrophobicContact CB-CD1 3.94Å; E179-L214 HydrophobicContact CG-CB 4.18Å; E179-L214 HydrophobicContact CG-CD1 3.68Å; E179-L214 HydrophobicContact CG-CG 4.47Å; S210-L214 WeakPolarHBondContact O-CA 3.04Å; S210-L214 PolarHBondContact O-N 3.47Å; Y211-L214 HydrophobicContact CD2-CD2 4.23Å; P212-L214 VanDerWaalsContact C-N 3.26Å; P212-L214 PolarHBondContact O-N 2.95Å
215	K	92.4	Very high	93.8	Very high	137 Å²	137	55.3 Å²	55.3	60%	0.596	31%	0.313	S	S	*	.			trans	-89.7	135.7	176.8	-68.7	-174.6	-179.6	177.9	0	110.3	L209 S210 E213 V217	L209-K215 CarbonylContact C-O 3.5Å; L209-K215 VanDerWaalsContact CA-O 3.22Å; L209-K215 WeakPolarHBondContact CA-O 3.34Å; S210-K215 PolarHBondContact N-O 2.96Å; E213-K215 HydrophobicContact CB-CD 4.35Å; E213-K215 HydrophobicContact CB-CG 4.06Å; E213-K215 PolarHBondContact O-N 3.16Å; K215-V217 PolarHBondContact O-N 2.92Å
216	P	93.1	Very high	93.7	Very high	116 Å²	116	57.6 Å²	57.6	75%	0.753	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.4	174.5	27	-33.2	0	0	0	109.8
217	V	94.4	Very high	93.7	Very high	82 Å²	82	57.6 Å²	57.6	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-52.1	177.9	175.5	0	0	0	0	109.5	M196 I208 K215	M196-V217 HydrophobicContact CE-CG2 4.4Å; M196-V217 HydrophobicContact SD-CG2 4.1Å; I208-V217 PolarHBondContact O-N 2.89Å; K215-V217 PolarHBondContact O-N 2.92Å
218	Q	93.4	Very high	93.7	Very high	91 Å²	91	58.1 Å²	58.1	43%	0.425	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155	-174.9	-171.9	168.8	-11.9	0	0	111.3	I208 I220	I208-Q218 HydrophobicContact CB-CB 4.47Å; I208-Q218 HydrophobicContact CD1-CB 4.48Å; I208-Q218 PolarHBondContact N-O 2.91Å; I208-Q218 PolarHBondContact O-N 3.14Å; Q218-I220 HydrophobicContact CG-CG1 4.21Å
219	S	94.1	Very high	93.6	Very high	64 Å²	64	58.4 Å²	58.4	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	168.7	-169.7	0	0	0	0	108.5	I206 N207	I206-S219 CarbonylContact O-C 3.57Å; I206-S219 WeakPolarHBondContact O-CA 3.33Å; N207-S219 VanDerWaalsContact OD1-CB 3.26Å; N207-S219 WeakPolarHBondContact OD1-CB 3.35Å; N207-S219 PolarHBondContact OD1-OG 3.26Å
220	I	94.6	Very high	93.7	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.9	-177	-57.2	177.7	0	0	0	108.2	C205 I206 I208 Q218 A222 W251 L256	C205-I220 CarbonylContact C-O 3.58Å; C205-I220 WeakPolarHBondContact CA-O 3.45Å; I206-I220 HydrophobicContact CB-CB 4.45Å; I206-I220 PolarHBondContact N-O 3.42Å; I206-I220 PolarHBondContact O-N 3.19Å; I208-I220 HydrophobicContact CD1-CD1 3.63Å; I208-I220 HydrophobicContact CD1-CG1 4.22Å; Q218-I220 HydrophobicContact CG-CG1 4.21Å; I220-A222 PolarHBondContact O-N 2.9Å; I220-A222 VanDerWaalsContact O-N 3.13Å; I220-W251 HydrophobicContact CG2-CE3 4.31Å; I220-W251 HydrophobicContact CG2-CH2 3.38Å; I220-W251 HydrophobicContact CG2-CZ2 4.19Å; I220-W251 HydrophobicContact CG2-CZ3 3.45Å; I220-W251 VanDerWaalsContact CG2-CZ3 3.45Å; I220-L256 HydrophobicContact CD1-CB 3.99Å; I220-L256 HydrophobicContact CD1-CD1 4.44Å; I220-L256 HydrophobicContact CD1-CD2 4.3Å; I220-L256 HydrophobicContact CD1-CG 4.49Å
221	N	93.3	Very high	93.8	Very high	133 Å²	133	61.6 Å²	61.6	71%	0.711	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	86.9	170.7	-66	-31.3	0	0	0	108.8	C205	C205-N221 PolarHBondContact SG-OD1 2.56Å
222	A	93.1	Very high	93.9	Very high	20 Å²	20	60 Å²	60	17%	0.165	33%	0.333	C	S	.	.			trans	-80.8	-38	-174.4	0	0	0	0	0	112.5	G204 I206 I220 W251	G204-A222 PolarHBondContact O-N 2.84Å; G204-A222 VanDerWaalsContact O-N 3.12Å; I206-A222 HydrophobicContact CD1-CB 3.59Å; I206-A222 HydrophobicContact CG1-CB 3.92Å; I220-A222 PolarHBondContact O-N 2.9Å; I220-A222 VanDerWaalsContact O-N 3.13Å; A222-W251 HydrophobicContact CB-CH2 4.27Å; A222-W251 HydrophobicContact CB-CZ2 3.52Å
223	H	95.4	Very high	94.2	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.065	31%	0.308	C	S	.	.			trans	-135.4	152.9	-175.1	-70.4	-89.9	0	0	0	111.9	G204 S225 T241 S243 D245 L247 S249	G204-H223 WeakPolarHBondContact CA-O 3.4Å; G204-H223 PolarHBondContact O-N 2.86Å; H223-S225 VanDerWaalsContact C-N 3.25Å; H223-S225 WeakPolarHBondContact CB-O 3.49Å; H223-T241 PolarHBondContact NE2-OG1 2.93Å; H223-S243 WeakPolarHBondContact CB-OG 2.87Å; H223-S243 VanDerWaalsContact ND1-CB 3.26Å; H223-S243 WeakPolarHBondContact ND1-CB 3.35Å; H223-D245 IonicContact CE1-OD2 3.76Å; H223-D245 IonicContact CG-OD2 2.82Å; H223-D245 IonicContact ND1-OD1 3.7Å; H223-D245 PolarHBondContact ND1-OD1 2.84Å; H223-D245 IonicContact ND1-OD2 2.71Å; H223-D245 PolarHBondContact ND1-OD2 2.78Å; H223-L247 PolarHBondContact CE1-O 2.91Å; H223-S249 PolarHBondContact CE1-OG 3.31Å; H223-S249 PolarHBondContact NE2-OG 3.23Å
224	P	93.3	Very high	94.3	Very high	121 Å²	121	53.8 Å²	53.8	79%	0.786	30%	0.303	S	S	*	.	S	Bend	trans	-73.8	-14.9	171.5	31.7	-37.1	0	0	0	113.5	D245	P224-D245 WeakPolarHBondContact CD-OD2 3.26Å; P224-D245 HydrophobicContact CG-CB 4.42Å
225	S	94.1	Very high	94.4	Very high	39 Å²	39	58.7 Å²	58.7	27%	0.273	33%	0.327	S	S	.	.	S	Bend	trans	-129	169.3	-179	-163.5	0	0	0	0	111.2	G204 H223 C227 S243	G204-S225 WeakPolarHBondContact CA-O 3.29Å; H223-S225 VanDerWaalsContact C-N 3.25Å; H223-S225 WeakPolarHBondContact CB-O 3.49Å; S225-C227 PolarHBondContact O-N 2.96Å; S225-S243 PolarHBondContact O-OG 3.4Å
226	N	93.3	Very high	94.4	Very high	62 Å²	62	53.1 Å²	53.1	33%	0.332	31%	0.308	S	S	.	.			trans	-44.8	125.6	-174.8	-55.7	37	0	0	0	111.5	G202 I228 S243 A244	G202-N226 PolarHBondContact O-OD1 2.98Å; N226-I228 PolarHBondContact O-N 3.07Å; N226-S243 CarbonylContact O-C 3.56Å; N226-S243 VanDerWaalsContact O-CA 3.27Å; N226-S243 WeakPolarHBondContact O-CA 3.46Å; N226-S243 WeakPolarHBondContact O-CB 3.49Å; N226-S243 PolarHBondContact O-OG 3.22Å; N226-A244 HydrophobicContact CB-CB 4.33Å; N226-A244 PolarHBondContact O-N 2.69Å
227	C	95	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.9	173.4	-176.3	0	0	0	0	107.8	N186 T200 N201 S225	N186-C227 VanDerWaalsContact CB-O 3.3Å; N186-C227 WeakPolarHBondContact CB-O 3.39Å; N186-C227 PolarHBondContact ND2-O 3.1Å; N186-C227 VanDerWaalsContact ND2-O 3.16Å; T200-C227 WeakPolarHBondContact CB-O 3.18Å; T200-C227 HydrophobicContact CG2-CB 4.21Å; T200-C227 WeakPolarHBondContact CG2-SG 3.41Å; T200-C227 PolarHBondContact OG1-O 3.09Å; T200-C227 VanDerWaalsContact OG1-O 3.13Å; N201-C227 PolarHBondContact O-N 3.04Å; S225-C227 PolarHBondContact O-N 2.96Å
228	I	94.5	Very high	94.7	Very high	37 Å²	37	48.7 Å²	48.7	19%	0.19	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-46	-168.4	-63.7	172.9	0	0	0	110.8	E187 N226 G242 A244 P268 V269	E187-I228 WeakPolarHBondContact CB-O 3.14Å; N226-I228 PolarHBondContact O-N 3.07Å; I228-G242 PolarHBondContact N-O 2.91Å; I228-A244 HydrophobicContact CD1-CB 4.02Å; I228-P268 HydrophobicContact CD1-CB 3.89Å; I228-V269 WeakPolarHBondContact CD1-O 3.32Å
229	C	94.9	Very high	94.9	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.054	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.8	-175.4	55.6	0	0	0	0	111.5	T241 G242	C229-T241 WeakPolarHBondContact O-CA 3.44Å; C229-G242 PolarHBondContact N-O 3.41Å; C229-G242 PolarHBondContact O-N 2.86Å
230	I	97	Very high	95.1	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.7	173.8	-179.3	165.2	0	0	0	109.1	E187 F198 T200 I206 F232 F239 A240 T241	E187-I230 HydrophobicContact CB-CG2 4.06Å; E187-I230 HydrophobicContact CG-CG2 3.73Å; F198-I230 HydrophobicContact CB-CD1 4.07Å; F198-I230 HydrophobicContact CD2-CD1 4.05Å; F198-I230 HydrophobicContact CG-CD1 4.49Å; T200-I230 HydrophobicContact CG2-CB 3.81Å; T200-I230 HydrophobicContact CG2-CG2 3.71Å; I206-I230 HydrophobicContact CG2-CD1 4.24Å; I230-F232 HydrophobicContact CD1-CE2 4.35Å; I230-F239 HydrophobicContact CD1-CD2 3.89Å; I230-F239 HydrophobicContact CD1-CE2 4.37Å; I230-F239 HydrophobicContact CG1-CD2 4.32Å; I230-A240 WeakPolarHBondContact CA-O 3.4Å; I230-T241 HydrophobicContact CB-CG2 3.92Å; I230-T241 HydrophobicContact CD1-CG2 3.8Å; I230-T241 HydrophobicContact CG1-CG2 3.76Å
231	K	97.5	Very high	95.2	Very high	88 Å²	88	40.7 Å²	40.7	38%	0.383	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.7	175.9	-161	83.7	-175.6	67.2	0	109.6	F239 A240 L272 F274	K231-F239 WeakPolarHBondContact O-CA 3.48Å; K231-A240 PolarHBondContact N-O 2.77Å; K231-A240 PolarHBondContact O-N 3.3Å; K231-L272 HydrophobicContact CB-CB 4.19Å; K231-F274 HydrophobicContact CB-CD2 4.33Å; K231-F274 HydrophobicContact CG-CD2 4.26Å; K231-F274 VanDerWaalsContact O-CE2 3.31Å; K231-F274 WeakPolarHBondContact O-CE2 3.5Å
232	F	97.1	Very high	95.4	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	147.1	166.9	-77.3	-96.7	0	0	0	110.8	W190 N191 F198 I230 F239 V253	W190-F232 WeakPolarHBondContact O-CD2 3.34Å; N191-F232 HydrophobicContact CB-CE1 3.99Å; N191-F232 HydrophobicContact CB-CZ 4.14Å; F198-F232 HydrophobicContact CB-CE2 4.2Å; F198-F232 HydrophobicContact CB-CZ 4.47Å; F198-F232 HydrophobicContact CD1-CE2 4.08Å; F198-F232 AromaticContact CD1-CZ 3.64Å; F198-F232 HydrophobicContact CD1-CZ 3.64Å; F198-F232 HydrophobicContact CD2-CE2 4.13Å; F198-F232 AromaticContact CD2-CZ 3.65Å; F198-F232 HydrophobicContact CD2-CZ 3.65Å; F198-F232 HydrophobicContact CE1-CE1 4.43Å; F198-F232 AromaticContact CE1-CZ 3.66Å; F198-F232 HydrophobicContact CE1-CZ 3.66Å; F198-F232 HydrophobicContact CE2-CE1 4.43Å; F198-F232 AromaticContact CE2-CZ 3.65Å; F198-F232 HydrophobicContact CE2-CZ 3.65Å; F198-F232 AromaticContact CG-CE2 3.89Å; F198-F232 HydrophobicContact CG-CE2 3.89Å; F198-F232 AromaticContact CG-CZ 3.67Å; F198-F232 HydrophobicContact CG-CZ 3.67Å; F198-F232 HydrophobicContact CZ-CE1 4.27Å; F198-F232 AromaticContact CZ-CZ 3.68Å; F198-F232 HydrophobicContact CZ-CZ 3.68Å; I230-F232 HydrophobicContact CD1-CE2 4.35Å; F232-F239 HydrophobicContact CD1-CB 3.76Å; F232-F239 HydrophobicContact CD2-CB 4.33Å; F232-F239 HydrophobicContact CE1-CB 3.79Å; F232-F239 HydrophobicContact CE1-CD1 4.16Å; F232-F239 HydrophobicContact CE1-CG 4.2Å; F232-F239 HydrophobicContact CE2-CB 4.35Å; F232-F239 HydrophobicContact CG-CB 4.04Å; F232-F239 HydrophobicContact CZ-CB 4.08Å; F232-F239 HydrophobicContact CZ-CD1 4.48Å; F232-F239 HydrophobicContact CZ-CG 4.3Å; F232-V253 HydrophobicContact CD1-CG2 3.98Å; F232-V253 HydrophobicContact CE1-CG1 4.24Å; F232-V253 HydrophobicContact CE1-CG2 3.91Å
233	D	95.6	Very high	95.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.184	C	C	.	.			trans	-73.8	150.4	169.4	83.6	-46.4	0	0	0	110.8	N192 M235 G236 K237 Y238 F274	N192-D233 PolarHBondContact ND2-O 2.93Å; D233-M235 PolarHBondContact O-N 3.39Å; D233-M235 VanDerWaalsContact OD2-CB 3.27Å; D233-M235 WeakPolarHBondContact OD2-CB 3.39Å; D233-M235 PolarHBondContact OD2-N 3.12Å; D233-G236 PolarHBondContact O-N 3.35Å; D233-G236 VanDerWaalsContact OD1-C 3.23Å; D233-G236 WeakPolarHBondContact OD1-CA 3.43Å; D233-G236 PolarHBondContact OD1-N 3.46Å; D233-G236 PolarHBondContact OD2-N 3.45Å; D233-K237 PolarHBondContact OD1-N 3.01Å; D233-K237 PolarHBondContact OD2-N 2.74Å; D233-Y238 WeakPolarHBondContact CB-O 3.44Å; D233-Y238 PolarHBondContact N-O 2.91Å; D233-Y238 PolarHBondContact OD1-N 3.49Å; D233-F274 HydrophobicContact CB-CB 4.37Å; D233-F274 HydrophobicContact CB-CD1 3.99Å; D233-F274 HydrophobicContact CB-CD2 3.99Å; D233-F274 HydrophobicContact CB-CE1 4.21Å; D233-F274 HydrophobicContact CB-CE2 4.22Å; D233-F274 HydrophobicContact CB-CG 3.86Å; D233-F274 HydrophobicContact CB-CZ 4.31Å
234	P	93	Very high	95.7	Very high	68 Å²	68	34.1 Å²	34.1	44%	0.442	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.9	178.5	-24	36.4	0	0	0	114
235	M	93.5	Very high	95.8	Very high	120 Å²	120	30.3 Å²	30.3	59%	0.591	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.8	178.9	-51.4	-71.2	88.9	0	0	112.7	D233 K237	D233-M235 PolarHBondContact O-N 3.39Å; D233-M235 VanDerWaalsContact OD2-CB 3.27Å; D233-M235 WeakPolarHBondContact OD2-CB 3.39Å; D233-M235 PolarHBondContact OD2-N 3.12Å; M235-K237 VanDerWaalsContact C-N 3.25Å; M235-K237 PolarHBondContact O-N 2.93Å
236	G	92.9	Very high	95.9	Very high	20 Å²	20	29 Å²	29	21%	0.206	16%	0.157	C	C	.	.	S	Bend	trans	73.8	12.3	180	0	0	0	0	0	114.7	N192 D233 V253	N192-G236 WeakPolarHBondContact ND2-CA 3.49Å; N192-G236 PolarHBondContact ND2-N 3.03Å; N192-G236 VanDerWaalsContact ND2-N 3.16Å; D233-G236 PolarHBondContact O-N 3.35Å; D233-G236 VanDerWaalsContact OD1-C 3.23Å; D233-G236 WeakPolarHBondContact OD1-CA 3.43Å; D233-G236 PolarHBondContact OD1-N 3.46Å; D233-G236 PolarHBondContact OD2-N 3.45Å; G236-V253 WeakPolarHBondContact O-CB 3.41Å
237	K	95.4	Very high	96.1	Very high	91 Å²	91	28.4 Å²	28.4	40%	0.396	15%	0.154	S	C	.	.	S	Bend	trans	-84.6	-37.5	179.8	-173.3	178.7	176.7	-166.9	0	111.7	D233 M235 V253 E296	D233-K237 PolarHBondContact OD1-N 3.01Å; D233-K237 PolarHBondContact OD2-N 2.74Å; M235-K237 VanDerWaalsContact C-N 3.25Å; M235-K237 PolarHBondContact O-N 2.93Å; K237-V253 PolarHBondContact O-N 2.99Å; K237-V253 VanDerWaalsContact O-N 3.12Å; K237-E296 IonicContact NZ-OE1 3.2Å; K237-E296 PolarHBondContact NZ-OE1 2.98Å; K237-E296 IonicContact NZ-OE2 2.6Å
238	Y	97.5	Very high	96.2	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.055	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.2	-171.9	-57.6	-63.6	0	0	0	112.6	D233 L250 W251 V259 V295 E296	D233-Y238 WeakPolarHBondContact CB-O 3.44Å; D233-Y238 PolarHBondContact N-O 2.91Å; D233-Y238 PolarHBondContact OD1-N 3.49Å; Y238-L250 HydrophobicContact CD1-CD2 4.37Å; Y238-L250 HydrophobicContact CD1-CG 4.37Å; Y238-L250 HydrophobicContact CG-CD1 4.23Å; Y238-L250 HydrophobicContact CG-CD2 4.32Å; Y238-L250 HydrophobicContact CG-CG 4.32Å; Y238-W251 CarbonylContact C-O 3.56Å; Y238-W251 WeakPolarHBondContact CA-O 3.49Å; Y238-W251 WeakPolarHBondContact CB-O 3.5Å; Y238-V259 HydrophobicContact CD1-CG2 4.28Å; Y238-V259 HydrophobicContact CE1-CG1 4.44Å; Y238-V259 HydrophobicContact CE1-CG2 3.98Å; Y238-V295 HydrophobicContact CD2-CG1 3.51Å; Y238-V295 HydrophobicContact CE2-CG1 3.64Å; Y238-V295 HydrophobicContact CG-CG1 4.38Å; Y238-E296 PolarHBondContact OH-OE1 2.71Å; Y238-E296 PolarHBondContact OH-OE2 2.95Å
239	F	97.6	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.1	160.8	68.5	-86.5	0	0	0	109.7	F198 I206 I230 K231 F232 T241 W251 V253 L256	F198-F239 HydrophobicContact CE2-CD1 4.49Å; F198-F239 HydrophobicContact CE2-CE1 4.19Å; F198-F239 HydrophobicContact CE2-CZ 4.26Å; I206-F239 HydrophobicContact CD1-CE2 3.79Å; I230-F239 HydrophobicContact CD1-CD2 3.89Å; I230-F239 HydrophobicContact CD1-CE2 4.37Å; I230-F239 HydrophobicContact CG1-CD2 4.32Å; K231-F239 WeakPolarHBondContact O-CA 3.48Å; F232-F239 HydrophobicContact CD1-CB 3.76Å; F232-F239 HydrophobicContact CD2-CB 4.33Å; F232-F239 HydrophobicContact CE1-CB 3.79Å; F232-F239 HydrophobicContact CE1-CD1 4.16Å; F232-F239 HydrophobicContact CE1-CG 4.2Å; F232-F239 HydrophobicContact CE2-CB 4.35Å; F232-F239 HydrophobicContact CG-CB 4.04Å; F232-F239 HydrophobicContact CZ-CB 4.08Å; F232-F239 HydrophobicContact CZ-CD1 4.48Å; F232-F239 HydrophobicContact CZ-CG 4.3Å; F239-T241 HydrophobicContact CD2-CG2 4.19Å; F239-T241 HydrophobicContact CE2-CG2 4.27Å; F239-W251 HydrophobicContact CD1-CB 3.79Å; F239-W251 HydrophobicContact CD2-CB 3.99Å; F239-W251 HydrophobicContact CD2-CG 4.3Å; F239-W251 HydrophobicContact CE1-CB 3.31Å; F239-W251 HydrophobicContact CE1-CG 4.18Å; F239-W251 HydrophobicContact CE2-CB 3.51Å; F239-W251 AromaticContact CE2-CD1 3.75Å; F239-W251 HydrophobicContact CE2-CD2 4.26Å; F239-W251 AromaticContact CE2-CG 3.56Å; F239-W251 HydrophobicContact CE2-CG 3.56Å; F239-W251 HydrophobicContact CG-CB 4.13Å; F239-W251 HydrophobicContact CZ-CB 3.17Å; F239-W251 HydrophobicContact CZ-CD2 4.04Å; F239-W251 HydrophobicContact CZ-CE3 4.36Å; F239-W251 AromaticContact CZ-CG 3.52Å; F239-W251 HydrophobicContact CZ-CG 3.52Å; F239-W251 PolarHBondContact N-O 2.56Å; F239-W251 PolarHBondContact O-N 3.32Å; F239-V253 HydrophobicContact CD1-CG2 3.9Å; F239-L256 HydrophobicContact CE1-CD2 3.94Å; F239-L256 HydrophobicContact CZ-CD2 4.37Å
240	A	98.2	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.4	176.2	0	0	0	0	0	110	I230 K231 V248 S249 L250 L272 F274 L281	I230-A240 WeakPolarHBondContact CA-O 3.4Å; K231-A240 PolarHBondContact N-O 2.77Å; K231-A240 PolarHBondContact O-N 3.3Å; A240-V248 HydrophobicContact CB-CG1 4.19Å; A240-S249 CarbonylContact C-O 3.6Å; A240-S249 VanDerWaalsContact CA-O 3.28Å; A240-S249 WeakPolarHBondContact CA-O 3.47Å; A240-L250 HydrophobicContact CB-CD1 4.17Å; A240-L272 HydrophobicContact CB-CD1 4.04Å; A240-F274 HydrophobicContact CB-CE2 3.66Å; A240-F274 HydrophobicContact CB-CZ 3.66Å; A240-L281 HydrophobicContact CB-CD1 4.25Å; A240-L281 HydrophobicContact CB-CD2 3.9Å
241	T	98.1	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.2	172.4	50.4	0	0	0	0	111	I206 H223 C229 I230 F239 V248 S249	I206-T241 HydrophobicContact CD1-CG2 3.39Å; I206-T241 HydrophobicContact CG1-CG2 4.11Å; H223-T241 PolarHBondContact NE2-OG1 2.93Å; C229-T241 WeakPolarHBondContact O-CA 3.44Å; I230-T241 HydrophobicContact CB-CG2 3.92Å; I230-T241 HydrophobicContact CD1-CG2 3.8Å; I230-T241 HydrophobicContact CG1-CG2 3.76Å; F239-T241 HydrophobicContact CD2-CG2 4.19Å; F239-T241 HydrophobicContact CE2-CG2 4.27Å; T241-V248 CarbonylContact O-C 3.59Å; T241-V248 WeakPolarHBondContact O-CA 3.45Å; T241-S249 PolarHBondContact N-O 3.45Å; T241-S249 PolarHBondContact O-N 3.29Å; T241-S249 PolarHBondContact OG1-OG 3.26Å
242	G	97.5	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.7	178.4	0	0	0	0	0	110	I228 C229	I228-G242 PolarHBondContact N-O 2.91Å; C229-G242 PolarHBondContact N-O 3.41Å; C229-G242 PolarHBondContact O-N 2.86Å
243	S	97	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165.9	-175.4	172.3	0	0	0	0	112.7	H223 S225 N226 D245 A246 L247 V269	H223-S243 WeakPolarHBondContact CB-OG 2.87Å; H223-S243 VanDerWaalsContact ND1-CB 3.26Å; H223-S243 WeakPolarHBondContact ND1-CB 3.35Å; S225-S243 PolarHBondContact O-OG 3.4Å; N226-S243 CarbonylContact O-C 3.56Å; N226-S243 VanDerWaalsContact O-CA 3.27Å; N226-S243 WeakPolarHBondContact O-CA 3.46Å; N226-S243 WeakPolarHBondContact O-CB 3.49Å; N226-S243 PolarHBondContact O-OG 3.22Å; S243-D245 WeakPolarHBondContact CB-OD1 3.36Å; S243-D245 PolarHBondContact O-N 3.22Å; S243-D245 PolarHBondContact OG-N 3.21Å; S243-D245 PolarHBondContact OG-OD1 3.03Å; S243-A246 PolarHBondContact O-N 2.89Å; S243-L247 PolarHBondContact N-O 2.9Å; S243-L247 VanDerWaalsContact N-O 3.11Å; S243-V269 PolarHBondContact O-N 2.96Å
244	A	96.4	Very high	96.2	Very high	30 Å²	30	31 Å²	31	25%	0.248	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.8	172.7	0	0	0	0	0	113.9	N226 I228 A246 P268	N226-A244 HydrophobicContact CB-CB 4.33Å; N226-A244 PolarHBondContact O-N 2.69Å; I228-A244 HydrophobicContact CD1-CB 4.02Å; A244-A246 PolarHBondContact O-N 2.89Å; A244-P268 HydrophobicContact CB-CB 4.25Å; A244-P268 HydrophobicContact CB-CG 4.32Å
245	D	95.8	Very high	96.2	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.219	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	9.4	173.2	66.8	1.2	0	0	0	114	H223 P224 S243 L247	H223-D245 IonicContact CE1-OD2 3.76Å; H223-D245 IonicContact CG-OD2 2.82Å; H223-D245 IonicContact ND1-OD1 3.7Å; H223-D245 PolarHBondContact ND1-OD1 2.84Å; H223-D245 IonicContact ND1-OD2 2.71Å; H223-D245 PolarHBondContact ND1-OD2 2.78Å; P224-D245 WeakPolarHBondContact CD-OD2 3.26Å; P224-D245 HydrophobicContact CG-CB 4.42Å; S243-D245 WeakPolarHBondContact CB-OD1 3.36Å; S243-D245 PolarHBondContact O-N 3.22Å; S243-D245 PolarHBondContact OG-N 3.21Å; S243-D245 PolarHBondContact OG-OD1 3.03Å; D245-L247 PolarHBondContact O-N 2.84Å; D245-L247 VanDerWaalsContact OD1-CB 3.27Å; D245-L247 WeakPolarHBondContact OD1-CB 3.31Å; D245-L247 PolarHBondContact OD1-N 3.41Å
246	A	96.1	Very high	96.2	Very high	12 Å²	12	30.5 Å²	30.5	10%	0.099	16%	0.162	C	C	.	.	S	Bend	trans	62.7	16.6	-175.7	0	0	0	0	0	114.7	S243 A244 L265 W267	S243-A246 PolarHBondContact O-N 2.89Å; A244-A246 PolarHBondContact O-N 2.89Å; A246-L265 HydrophobicContact CB-CB 4.47Å; A246-L265 WeakPolarHBondContact CB-O 3.45Å; A246-W267 WeakPolarHBondContact CA-O 3.28Å; A246-W267 VanDerWaalsContact CB-O 3.29Å; A246-W267 WeakPolarHBondContact CB-O 3.37Å
247	L	96.9	Very high	96.3	Very high	49 Å²	49	33.2 Å²	33.2	26%	0.257	18%	0.175	S	C	.	.			trans	-102.7	140.1	174.7	-61	176.2	0	0	0	111.4	H223 S243 D245	H223-L247 PolarHBondContact CE1-O 2.91Å; S243-L247 PolarHBondContact N-O 2.9Å; S243-L247 VanDerWaalsContact N-O 3.11Å; D245-L247 PolarHBondContact O-N 2.84Å; D245-L247 VanDerWaalsContact OD1-CB 3.27Å; D245-L247 WeakPolarHBondContact OD1-CB 3.31Å; D245-L247 PolarHBondContact OD1-N 3.41Å
248	V	98.1	Very high	96.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.6	162.5	-176.3	0	0	0	0	107.7	A240 T241 C261 F262 L265 V269 L272 L281	A240-V248 HydrophobicContact CB-CG1 4.19Å; T241-V248 CarbonylContact O-C 3.59Å; T241-V248 WeakPolarHBondContact O-CA 3.45Å; V248-C261 CarbonylContact O-C 3.58Å; V248-C261 VanDerWaalsContact O-CA 3.25Å; V248-C261 WeakPolarHBondContact O-CA 3.33Å; V248-F262 HydrophobicContact CB-CB 4.2Å; V248-F262 HydrophobicContact CB-CD2 4.1Å; V248-F262 HydrophobicContact CG1-CD2 4.08Å; V248-F262 PolarHBondContact N-O 2.94Å; V248-F262 VanDerWaalsContact N-O 3.15Å; V248-F262 PolarHBondContact O-N 3.19Å; V248-L265 HydrophobicContact CG2-CD1 4.36Å; V248-V269 HydrophobicContact CG2-CG1 3.99Å; V248-V269 HydrophobicContact CG2-CG2 3.79Å; V248-L272 HydrophobicContact CB-CD2 4.43Å; V248-L272 HydrophobicContact CG1-CD1 4.06Å; V248-L272 HydrophobicContact CG1-CD2 3.69Å; V248-L272 HydrophobicContact CG2-CD2 3.81Å; V248-L281 HydrophobicContact CG1-CD2 3.77Å
249	S	97.8	Very high	96.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.3	173.4	61.1	0	0	0	0	110.5	H223 A240 T241 W251	H223-S249 PolarHBondContact CE1-OG 3.31Å; H223-S249 PolarHBondContact NE2-OG 3.23Å; A240-S249 CarbonylContact C-O 3.6Å; A240-S249 VanDerWaalsContact CA-O 3.28Å; A240-S249 WeakPolarHBondContact CA-O 3.47Å; T241-S249 PolarHBondContact N-O 3.45Å; T241-S249 PolarHBondContact O-N 3.29Å; T241-S249 PolarHBondContact OG1-OG 3.26Å; S249-W251 PolarHBondContact OG-NE1 3.01Å
250	L	98.4	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.9	179	-176.9	77.4	0	0	0	108.9	Y238 A240 V259 R260 F262 F274 V295	Y238-L250 HydrophobicContact CD1-CD2 4.37Å; Y238-L250 HydrophobicContact CD1-CG 4.37Å; Y238-L250 HydrophobicContact CG-CD1 4.23Å; Y238-L250 HydrophobicContact CG-CD2 4.32Å; Y238-L250 HydrophobicContact CG-CG 4.32Å; A240-L250 HydrophobicContact CB-CD1 4.17Å; L250-V259 PolarHBondContact O-N 2.9Å; L250-R260 HydrophobicContact CB-CG 3.82Å; L250-R260 HydrophobicContact CD2-CG 3.89Å; L250-R260 HydrophobicContact CG-CG 4.49Å; L250-R260 PolarHBondContact N-O 3.36Å; L250-R260 PolarHBondContact O-N 2.88Å; L250-F262 HydrophobicContact CB-CE2 4.04Å; L250-F274 HydrophobicContact CD1-CE1 4.03Å; L250-F274 HydrophobicContact CD1-CZ 3.56Å; L250-V295 HydrophobicContact CD1-CG1 4.34Å; L250-V295 HydrophobicContact CD2-CG1 3.72Å
251	W	97.9	Very high	96.2	Very high	21 Å²	21	40 Å²	40	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146	-172	-63.6	75.3	0	0	0	110.7	I220 A222 Y238 F239 S249 L256 V257 C258	I220-W251 HydrophobicContact CG2-CE3 4.31Å; I220-W251 HydrophobicContact CG2-CH2 3.38Å; I220-W251 HydrophobicContact CG2-CZ2 4.19Å; I220-W251 HydrophobicContact CG2-CZ3 3.45Å; I220-W251 VanDerWaalsContact CG2-CZ3 3.45Å; A222-W251 HydrophobicContact CB-CH2 4.27Å; A222-W251 HydrophobicContact CB-CZ2 3.52Å; Y238-W251 CarbonylContact C-O 3.56Å; Y238-W251 WeakPolarHBondContact CA-O 3.49Å; Y238-W251 WeakPolarHBondContact CB-O 3.5Å; F239-W251 HydrophobicContact CD1-CB 3.79Å; F239-W251 HydrophobicContact CD2-CB 3.99Å; F239-W251 HydrophobicContact CD2-CG 4.3Å; F239-W251 HydrophobicContact CE1-CB 3.31Å; F239-W251 HydrophobicContact CE1-CG 4.18Å; F239-W251 HydrophobicContact CE2-CB 3.51Å; F239-W251 AromaticContact CE2-CD1 3.75Å; F239-W251 HydrophobicContact CE2-CD2 4.26Å; F239-W251 AromaticContact CE2-CG 3.56Å; F239-W251 HydrophobicContact CE2-CG 3.56Å; F239-W251 HydrophobicContact CG-CB 4.13Å; F239-W251 HydrophobicContact CZ-CB 3.17Å; F239-W251 HydrophobicContact CZ-CD2 4.04Å; F239-W251 HydrophobicContact CZ-CE3 4.36Å; F239-W251 AromaticContact CZ-CG 3.52Å; F239-W251 HydrophobicContact CZ-CG 3.52Å; F239-W251 PolarHBondContact N-O 2.56Å; F239-W251 PolarHBondContact O-N 3.32Å; S249-W251 PolarHBondContact OG-NE1 3.01Å; W251-L256 WeakPolarHBondContact CZ3-O 3.45Å; W251-V257 VanDerWaalsContact CA-O 3.31Å; W251-V257 WeakPolarHBondContact CA-O 3.32Å; W251-V257 VanDerWaalsContact CE3-C 3.41Å; W251-C258 HydrophobicContact CD2-CB 4Å; W251-C258 HydrophobicContact CE3-CB 4.03Å; W251-C258 VanDerWaalsContact CE3-N 3.26Å; W251-C258 HydrophobicContact CH2-CB 3.8Å; W251-C258 HydrophobicContact CZ2-CB 3.76Å; W251-C258 HydrophobicContact CZ3-CB 3.94Å
252	D	96.5	Very high	96.2	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.171	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.3	168.8	-168.9	-78.4	0	0	0	109.6	D254 E255 L256 V257 V259	D252-D254 PolarHBondContact OD1-N 3.34Å; D252-E255 HydrophobicContact CB-CB 4.31Å; D252-E255 PolarHBondContact OD1-N 2.82Å; D252-L256 VanDerWaalsContact O-CA 3.23Å; D252-L256 WeakPolarHBondContact O-CA 3.12Å; D252-L256 PolarHBondContact O-N 3.31Å; D252-V257 HydrophobicContact CB-CG2 4.1Å; D252-V257 PolarHBondContact N-O 2.81Å; D252-V259 HydrophobicContact CB-CG2 3.94Å
253	V	93.8	Very high	96.1	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-38.3	-176	174	0	0	0	0	111.8	F232 G236 K237 F239 L256	F232-V253 HydrophobicContact CD1-CG2 3.98Å; F232-V253 HydrophobicContact CE1-CG1 4.24Å; F232-V253 HydrophobicContact CE1-CG2 3.91Å; G236-V253 WeakPolarHBondContact O-CB 3.41Å; K237-V253 PolarHBondContact O-N 2.99Å; K237-V253 VanDerWaalsContact O-N 3.12Å; F239-V253 HydrophobicContact CD1-CG2 3.9Å; V253-L256 WeakPolarHBondContact O-CD2 3.21Å
254	D	91.3	Very high	95.9	Very high	130 Å²	130	49.1 Å²	49.1	70%	0.695	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-46.2	-173.5	-69	-34.6	0	0	0	110.9	D252	D252-D254 PolarHBondContact OD1-N 3.34Å
255	E	93.4	Very high	95.8	Very high	143 Å²	143	48.1 Å²	48.1	67%	0.668	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.9	-176.3	-63.4	-66	158.9	0	0	112.6	D252 V257	D252-E255 HydrophobicContact CB-CB 4.31Å; D252-E255 PolarHBondContact OD1-N 2.82Å; E255-V257 HydrophobicContact CB-CG1 4.32Å; E255-V257 HydrophobicContact CB-CG2 3.88Å; E255-V257 PolarHBondContact O-N 2.96Å
256	L	93.9	Very high	95.7	Very high	35 Å²	35	52.5 Å²	52.5	18%	0.183	29%	0.286	C	S	.	.			trans	53	35.1	-177.1	-61.6	176.7	0	0	0	113.2	F198 I208 I220 F239 W251 D252 V253	F198-L256 HydrophobicContact CE2-CD2 4.33Å; F198-L256 HydrophobicContact CZ-CD2 4.34Å; I208-L256 HydrophobicContact CD1-CD1 3.7Å; I208-L256 HydrophobicContact CD1-CD2 3.82Å; I208-L256 HydrophobicContact CD1-CG 4.4Å; I220-L256 HydrophobicContact CD1-CB 3.99Å; I220-L256 HydrophobicContact CD1-CD1 4.44Å; I220-L256 HydrophobicContact CD1-CD2 4.3Å; I220-L256 HydrophobicContact CD1-CG 4.49Å; F239-L256 HydrophobicContact CE1-CD2 3.94Å; F239-L256 HydrophobicContact CZ-CD2 4.37Å; W251-L256 WeakPolarHBondContact CZ3-O 3.45Å; D252-L256 VanDerWaalsContact O-CA 3.23Å; D252-L256 WeakPolarHBondContact O-CA 3.12Å; D252-L256 PolarHBondContact O-N 3.31Å; V253-L256 WeakPolarHBondContact O-CD2 3.21Å
257	V	95.4	Very high	95.7	Very high	77 Å²	77	59.2 Å²	59.2	47%	0.467	31%	0.308	S	S	.	.			trans	-105.9	142.1	177.4	-63.7	0	0	0	0	111.2	W251 D252 E255 V259	W251-V257 VanDerWaalsContact CA-O 3.31Å; W251-V257 WeakPolarHBondContact CA-O 3.32Å; W251-V257 VanDerWaalsContact CE3-C 3.41Å; D252-V257 HydrophobicContact CB-CG2 4.1Å; D252-V257 PolarHBondContact N-O 2.81Å; E255-V257 HydrophobicContact CB-CG1 4.32Å; E255-V257 HydrophobicContact CB-CG2 3.88Å; E255-V257 PolarHBondContact O-N 2.96Å; V257-V259 PolarHBondContact O-N 2.91Å
258	C	96.9	Very high	95.7	Very high	60 Å²	60	58.5 Å²	58.5	41%	0.405	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.6	172.6	-175.7	0	0	0	0	109.1	W251	W251-C258 HydrophobicContact CD2-CB 4Å; W251-C258 HydrophobicContact CE3-CB 4.03Å; W251-C258 VanDerWaalsContact CE3-N 3.26Å; W251-C258 HydrophobicContact CH2-CB 3.8Å; W251-C258 HydrophobicContact CZ2-CB 3.76Å; W251-C258 HydrophobicContact CZ3-CB 3.94Å
259	V	97.2	Very high	95.7	Very high	55 Å²	55	58.4 Å²	58.4	33%	0.333	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-42.6	-179.3	179.7	0	0	0	0	110.2	Y238 L250 D252 V257	Y238-V259 HydrophobicContact CD1-CG2 4.28Å; Y238-V259 HydrophobicContact CE1-CG1 4.44Å; Y238-V259 HydrophobicContact CE1-CG2 3.98Å; L250-V259 PolarHBondContact O-N 2.9Å; D252-V259 HydrophobicContact CB-CG2 3.94Å; V257-V259 PolarHBondContact O-N 2.91Å
260	R	95.9	Very high	95.5	Very high	60 Å²	60	63.2 Å²	63.2	23%	0.226	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	169.2	-179.2	66.2	-168.3	73.3	-153.5	6.1	112.1	L250 F262 V295 E296 T297	L250-R260 HydrophobicContact CB-CG 3.82Å; L250-R260 HydrophobicContact CD2-CG 3.89Å; L250-R260 HydrophobicContact CG-CG 4.49Å; L250-R260 PolarHBondContact N-O 3.36Å; L250-R260 PolarHBondContact O-N 2.88Å; R260-F262 HydrophobicContact CG-CE2 4.24Å; R260-F262 HydrophobicContact CG-CZ 4.36Å; R260-V295 PolarHBondContact NE-O 2.9Å; R260-V295 PolarHBondContact NH1-O 2.84Å; R260-E296 PolarHBondContact NH1-O 2.8Å; R260-E296 PolarHBondContact NH2-O 2.9Å; R260-T297 VanDerWaalsContact NH1-CA 3.32Å; R260-T297 PolarHBondContact NH1-O 3.34Å; R260-T297 VanDerWaalsContact NH1-O 3.14Å
261	C	96.3	Very high	95.5	Very high	73 Å²	73	64 Å²	64	49%	0.493	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.2	168.9	-58.2	0	0	0	0	111.1	V248	V248-C261 CarbonylContact O-C 3.58Å; V248-C261 VanDerWaalsContact O-CA 3.25Å; V248-C261 WeakPolarHBondContact O-CA 3.33Å
262	F	96.7	Very high	95.5	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.7	169.6	-51.1	-97	0	0	0	108.3	V248 L250 R260 L281 A293	V248-F262 HydrophobicContact CB-CB 4.2Å; V248-F262 HydrophobicContact CB-CD2 4.1Å; V248-F262 HydrophobicContact CG1-CD2 4.08Å; V248-F262 PolarHBondContact N-O 2.94Å; V248-F262 VanDerWaalsContact N-O 3.15Å; V248-F262 PolarHBondContact O-N 3.19Å; L250-F262 HydrophobicContact CB-CE2 4.04Å; R260-F262 HydrophobicContact CG-CE2 4.24Å; R260-F262 HydrophobicContact CG-CZ 4.36Å; F262-L281 HydrophobicContact CD2-CD2 4.16Å; F262-L281 HydrophobicContact CE2-CD2 3.75Å; F262-L281 HydrophobicContact CZ-CD2 4.3Å; F262-A293 HydrophobicContact CD1-CB 3.67Å; F262-A293 HydrophobicContact CE1-CB 3.52Å
263	S	95.4	Very high	95.5	Very high	93 Å²	93	62.3 Å²	62.3	65%	0.65	32%	0.322	S	S	*	.			trans	-111.5	61.6	-179	-177.3	0	0	0	0	109.8
264	R	93.9	Very high	95.7	Very high	91 Å²	91	61.9 Å²	61.9	34%	0.343	32%	0.319	S	S	.	.			trans	-113	-15.6	-175.4	-63.7	-178.5	-174.4	-74.3	-2.8	113.8	D291 G298 K300	R264-D291 VanDerWaalsContact CD-CG 3.49Å; R264-D291 WeakPolarHBondContact CD-OD1 3.41Å; R264-D291 VanDerWaalsContact CD-OD2 3.27Å; R264-D291 WeakPolarHBondContact CD-OD2 3.22Å; R264-G298 PolarHBondContact NH2-O 3.45Å; R264-K300 VanDerWaalsContact CZ-CB 3.47Å
265	L	94.3	Very high	96	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.042	29%	0.286	C	S	.	.			trans	-96.2	150.2	179.5	-60.6	166.8	0	0	0	108.8	A246 V248 V269 D287 F289	A246-L265 HydrophobicContact CB-CB 4.47Å; A246-L265 WeakPolarHBondContact CB-O 3.45Å; V248-L265 HydrophobicContact CG2-CD1 4.36Å; L265-V269 HydrophobicContact CD1-CB 4.41Å; L265-V269 HydrophobicContact CD1-CG1 4.21Å; L265-V269 HydrophobicContact CD1-CG2 3.74Å; L265-D287 WeakPolarHBondContact CA-OD2 3.1Å; L265-D287 VanDerWaalsContact CD2-OD2 3.24Å; L265-D287 WeakPolarHBondContact CD2-OD2 3.31Å; L265-F289 HydrophobicContact CD2-CD2 4.16Å; L265-F289 HydrophobicContact CD2-CE2 3.53Å; L265-F289 HydrophobicContact CD2-CZ 4.1Å
266	D	94.4	Very high	95.9	Very high	134 Å²	134	51.7 Å²	51.7	72%	0.717	27%	0.267	S	S	*	.	S	Bend	trans	-104.4	-8.4	178.2	-70.5	-37.7	0	0	0	112.6	D287	D266-D287 PolarHBondContact N-OD2 3.41Å
267	W	96.1	Very high	95.9	Very high	152 Å²	152	52.3 Å²	52.3	58%	0.576	27%	0.27	S	S	*	.	S	Bend	trans	-128.9	162.6	-176.4	-73.5	90.7	0	0	0	111.9	A246 V269 S285 E286	A246-W267 WeakPolarHBondContact CA-O 3.28Å; A246-W267 VanDerWaalsContact CB-O 3.29Å; A246-W267 WeakPolarHBondContact CB-O 3.37Å; W267-V269 PolarHBondContact O-N 3.25Å; W267-S285 WeakPolarHBondContact CA-OG 3.35Å; W267-S285 WeakPolarHBondContact CB-OG 3.19Å; W267-S285 PolarHBondContact O-OG 2.87Å; W267-E286 HydrophobicContact CB-CB 3.85Å; W267-E286 HydrophobicContact CB-CG 4.45Å; W267-E286 HydrophobicContact CD2-CB 4.24Å; W267-E286 HydrophobicContact CG-CB 3.93Å
268	P	96.5	Very high	95.9	Very high	34 Å²	34	49 Å²	49	22%	0.221	25%	0.252	C	S	.	.			trans	-46	124.4	175.7	-33.8	39	0	0	0	114.6	I228 A244 R270 S285	I228-P268 HydrophobicContact CD1-CB 3.89Å; A244-P268 HydrophobicContact CB-CB 4.25Å; A244-P268 HydrophobicContact CB-CG 4.32Å; P268-R270 PolarHBondContact O-N 2.89Å; P268-S285 PolarHBondContact O-OG 3.15Å
269	V	96.9	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.			trans	-64.5	122.5	-179.9	-171.3	0	0	0	0	109.9	I228 S243 V248 L265 W267 L272	I228-V269 WeakPolarHBondContact CD1-O 3.32Å; S243-V269 PolarHBondContact O-N 2.96Å; V248-V269 HydrophobicContact CG2-CG1 3.99Å; V248-V269 HydrophobicContact CG2-CG2 3.79Å; L265-V269 HydrophobicContact CD1-CB 4.41Å; L265-V269 HydrophobicContact CD1-CG1 4.21Å; L265-V269 HydrophobicContact CD1-CG2 3.74Å; W267-V269 PolarHBondContact O-N 3.25Å; V269-L272 HydrophobicContact CG1-CD2 4.01Å; V269-L272 HydrophobicContact CG1-CG 4.22Å
270	R	95	Very high	95.9	Very high	103 Å²	103	48.2 Å²	48.2	39%	0.389	24%	0.237	S	C	.	.			trans	-90.6	-38.1	-178.1	-68.7	-57.5	-167.1	-169.1	-2.2	113.2	P268 A284 E286	P268-R270 PolarHBondContact O-N 2.89Å; R270-A284 PolarHBondContact N-O 3.37Å; R270-E286 IonicContact CZ-OE1 3.45Å; R270-E286 IonicContact NE-OE1 2.83Å; R270-E286 PolarHBondContact NE-OE1 3.32Å; R270-E286 IonicContact NH2-OE1 3.01Å; R270-E286 PolarHBondContact NH2-OE1 3.27Å
271	T	96.8	Very high	96	Very high	16 Å²	16	45.4 Å²	45.4	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	150	-171.9	-173.1	0	0	0	0	111.4	S283 A284 F311 V313	T271-S283 WeakPolarHBondContact O-CA 3.47Å; T271-A284 HydrophobicContact CG2-CB 3.82Å; T271-A284 PolarHBondContact N-O 2.76Å; T271-A284 PolarHBondContact O-N 3.41Å; T271-F311 WeakPolarHBondContact CB-O 3.27Å; T271-V313 HydrophobicContact CG2-CB 4.2Å; T271-V313 HydrophobicContact CG2-CG1 3.85Å; T271-V313 HydrophobicContact CG2-CG2 3.66Å; T271-V313 PolarHBondContact OG1-N 3.29Å
272	L	97.9	Very high	96.1	Very high	7 Å²	7	42 Å²	42	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.2	178.5	-68.3	174.8	0	0	0	109.8	K231 A240 V248 V269 L281 A282	K231-L272 HydrophobicContact CB-CB 4.19Å; A240-L272 HydrophobicContact CB-CD1 4.04Å; V248-L272 HydrophobicContact CB-CD2 4.43Å; V248-L272 HydrophobicContact CG1-CD1 4.06Å; V248-L272 HydrophobicContact CG1-CD2 3.69Å; V248-L272 HydrophobicContact CG2-CD2 3.81Å; V269-L272 HydrophobicContact CG1-CD2 4.01Å; V269-L272 HydrophobicContact CG1-CG 4.22Å; L272-L281 HydrophobicContact CB-CD1 4.46Å; L272-L281 HydrophobicContact CD2-CD1 4.29Å; L272-A282 WeakPolarHBondContact CA-O 3.37Å
273	S	98.1	Very high	96.1	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	128.2	171.8	-161.5	0	0	0	0	111	A282 V313 W315	S273-A282 PolarHBondContact N-O 3.49Å; S273-A282 PolarHBondContact O-N 2.91Å; S273-V313 WeakPolarHBondContact CB-O 3.27Å; S273-W315 VanDerWaalsContact C-CD1 3.49Å; S273-W315 PolarHBondContact O-NE1 3.17Å; S273-W315 PolarHBondContact OG-N 3.04Å
274	F	98.2	Very high	96.2	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.044	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.3	171.4	-80.8	-78.2	0	0	0	111.2	K231 D233 A240 L250 M280 L281 V295 W315	K231-F274 HydrophobicContact CB-CD2 4.33Å; K231-F274 HydrophobicContact CG-CD2 4.26Å; K231-F274 VanDerWaalsContact O-CE2 3.31Å; K231-F274 WeakPolarHBondContact O-CE2 3.5Å; D233-F274 HydrophobicContact CB-CB 4.37Å; D233-F274 HydrophobicContact CB-CD1 3.99Å; D233-F274 HydrophobicContact CB-CD2 3.99Å; D233-F274 HydrophobicContact CB-CE1 4.21Å; D233-F274 HydrophobicContact CB-CE2 4.22Å; D233-F274 HydrophobicContact CB-CG 3.86Å; D233-F274 HydrophobicContact CB-CZ 4.31Å; A240-F274 HydrophobicContact CB-CE2 3.66Å; A240-F274 HydrophobicContact CB-CZ 3.66Å; L250-F274 HydrophobicContact CD1-CE1 4.03Å; L250-F274 HydrophobicContact CD1-CZ 3.56Å; F274-M280 WeakPolarHBondContact CA-O 3.32Å; F274-L281 HydrophobicContact CD1-CB 4.33Å; F274-L281 HydrophobicContact CD1-CD1 4.04Å; F274-L281 HydrophobicContact CD2-CD1 4.1Å; F274-L281 HydrophobicContact CE1-CB 4.21Å; F274-L281 HydrophobicContact CE1-CD1 3.98Å; F274-L281 HydrophobicContact CE1-CG 4.48Å; F274-L281 HydrophobicContact CE2-CD1 4.03Å; F274-L281 HydrophobicContact CG-CD1 4.11Å; F274-L281 HydrophobicContact CZ-CD1 3.98Å; F274-L281 HydrophobicContact CZ-CD2 4.49Å; F274-V295 HydrophobicContact CD1-CG2 4Å; F274-V295 HydrophobicContact CE1-CG1 4.39Å; F274-V295 HydrophobicContact CE1-CG2 3.66Å; F274-W315 WeakPolarHBondContact O-CB 3.2Å
275	S	97.1	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.			trans	-66.3	156.4	166.5	60.7	0	0	0	0	111.2	D277 G278 K279 M280	S275-D277 WeakPolarHBondContact CB-OD1 3.4Å; S275-D277 PolarHBondContact O-N 3.19Å; S275-D277 PolarHBondContact OG-OD1 3.24Å; S275-G278 PolarHBondContact O-N 3.3Å; S275-K279 PolarHBondContact OG-N 2.85Å; S275-M280 PolarHBondContact N-O 3.04Å; S275-M280 WeakPolarHBondContact OG-CA 3.43Å; S275-M280 WeakPolarHBondContact OG-CB 3.32Å; S275-M280 PolarHBondContact OG-N 3.32Å; S275-M280 PolarHBondContact OG-O 2.91Å
276	H	91.9	Very high	96.2	Very high	60 Å²	60	34.9 Å²	34.9	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.9	-178.3	68.1	-82.9	0	0	0	114.7	G278 P317 K318	H276-G278 VanDerWaalsContact C-N 3.33Å; H276-P317 WeakPolarHBondContact CB-O 3.25Å; H276-K318 VanDerWaalsContact CE1-C 3.48Å
277	D	93.6	Very high	95.9	Very high	47 Å²	47	29.8 Å²	29.8	25%	0.251	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.3	177.1	66.2	-11.9	0	0	0	113.1	Y34 S275 K279	Y34-D277 PolarHBondContact OH-OD2 2.89Å; S275-D277 WeakPolarHBondContact CB-OD1 3.4Å; S275-D277 PolarHBondContact O-N 3.19Å; S275-D277 PolarHBondContact OG-OD1 3.24Å; D277-K279 PolarHBondContact O-N 2.85Å; D277-K279 PolarHBondContact OD1-N 3.33Å
278	G	95.1	Very high	95.8	Very high	8 Å²	8	26.5 Å²	26.5	8%	0.082	13%	0.128	C	C	.	.	S	Bend	trans	69.3	7.8	-178.9	0	0	0	0	0	114.6	S275 H276 V295	S275-G278 PolarHBondContact O-N 3.3Å; H276-G278 VanDerWaalsContact C-N 3.33Å; G278-V295 WeakPolarHBondContact O-CG2 3.06Å
279	K	95.8	Very high	95.6	Very high	96 Å²	96	26.5 Å²	26.5	42%	0.417	12%	0.124	S	C	.	.	S	Bend	trans	-96.9	-16.7	-173.8	-68	-178.5	-176.7	176.5	0	114.3	Y34 S275 D277 E294 V295	Y34-K279 HydrophobicContact CD2-CD 4.24Å; Y34-K279 HydrophobicContact CE1-CB 3.98Å; Y34-K279 HydrophobicContact CE2-CB 4.34Å; Y34-K279 HydrophobicContact CE2-CD 3.68Å; Y34-K279 VanDerWaalsContact OH-CB 3.23Å; Y34-K279 WeakPolarHBondContact OH-CB 3.4Å; S275-K279 PolarHBondContact OG-N 2.85Å; D277-K279 PolarHBondContact O-N 2.85Å; D277-K279 PolarHBondContact OD1-N 3.33Å; K279-E294 CarbonylContact O-C 3.57Å; K279-E294 WeakPolarHBondContact O-CA 3.29Å; K279-V295 PolarHBondContact O-N 2.77Å
280	M	97.4	Very high	95.6	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.5	177	-51	-176	-80.7	0	0	111.1	Y34 M38 F42 F274 S275 I292 A293 L301 W315 P320	Y34-M280 HydrophobicContact CE1-CG 4.39Å; Y34-M280 WeakPolarHBondContact OH-CG 3.36Å; M38-M280 HydrophobicContact CE-CE 3.83Å; M38-M280 HydrophobicContact CE-SD 3.62Å; F42-M280 HydrophobicContact CE2-SD 3.92Å; F42-M280 HydrophobicContact CZ-CE 4.32Å; F42-M280 HydrophobicContact CZ-SD 3.84Å; F274-M280 WeakPolarHBondContact CA-O 3.32Å; S275-M280 PolarHBondContact N-O 3.04Å; S275-M280 WeakPolarHBondContact OG-CA 3.43Å; S275-M280 WeakPolarHBondContact OG-CB 3.32Å; S275-M280 PolarHBondContact OG-N 3.32Å; S275-M280 PolarHBondContact OG-O 2.91Å; M280-I292 HydrophobicContact CB-CG2 4.26Å; M280-I292 HydrophobicContact SD-CG2 4.18Å; M280-A293 CarbonylContact C-O 3.59Å; M280-A293 VanDerWaalsContact CA-O 3.26Å; M280-A293 WeakPolarHBondContact CA-O 3.46Å; M280-L301 HydrophobicContact CB-CD1 4.3Å; M280-L301 HydrophobicContact CG-CD1 3.51Å; M280-L301 HydrophobicContact SD-CD1 3.69Å; M280-W315 HydrophobicContact CB-CZ2 4.32Å; M280-W315 HydrophobicContact CE-CH2 3.79Å; M280-W315 HydrophobicContact CE-CZ2 4.34Å; M280-W315 HydrophobicContact CE-CZ3 3.93Å; M280-W315 HydrophobicContact SD-CH2 4.17Å; M280-P320 HydrophobicContact CE-CB 4.29Å
281	L	98.2	Very high	95.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.5	171.9	179.7	61.6	0	0	0	108.1	A240 V248 F262 L272 F274 I292 A293 V295	A240-L281 HydrophobicContact CB-CD1 4.25Å; A240-L281 HydrophobicContact CB-CD2 3.9Å; V248-L281 HydrophobicContact CG1-CD2 3.77Å; F262-L281 HydrophobicContact CD2-CD2 4.16Å; F262-L281 HydrophobicContact CE2-CD2 3.75Å; F262-L281 HydrophobicContact CZ-CD2 4.3Å; L272-L281 HydrophobicContact CB-CD1 4.46Å; L272-L281 HydrophobicContact CD2-CD1 4.29Å; F274-L281 HydrophobicContact CD1-CB 4.33Å; F274-L281 HydrophobicContact CD1-CD1 4.04Å; F274-L281 HydrophobicContact CD2-CD1 4.1Å; F274-L281 HydrophobicContact CE1-CB 4.21Å; F274-L281 HydrophobicContact CE1-CD1 3.98Å; F274-L281 HydrophobicContact CE1-CG 4.48Å; F274-L281 HydrophobicContact CE2-CD1 4.03Å; F274-L281 HydrophobicContact CG-CD1 4.11Å; F274-L281 HydrophobicContact CZ-CD1 3.98Å; F274-L281 HydrophobicContact CZ-CD2 4.49Å; L281-I292 WeakPolarHBondContact O-CA 3.18Å; L281-A293 PolarHBondContact N-O 3.01Å; L281-A293 PolarHBondContact O-N 2.89Å; L281-V295 HydrophobicContact CB-CG2 4.17Å
282	A	98.3	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.1	168.3	0	0	0	0	0	108.9	L272 S273 I290 D291 I292 V313 W315 L322	L272-A282 WeakPolarHBondContact CA-O 3.37Å; S273-A282 PolarHBondContact N-O 3.49Å; S273-A282 PolarHBondContact O-N 2.91Å; A282-I290 HydrophobicContact CB-CG2 4.15Å; A282-D291 CarbonylContact C-O 3.28Å; A282-D291 VanDerWaalsContact CA-O 3.29Å; A282-D291 WeakPolarHBondContact CA-O 3.3Å; A282-I292 HydrophobicContact CB-CG1 4.34Å; A282-V313 HydrophobicContact CB-CG2 4.35Å; A282-W315 HydrophobicContact CB-CZ2 4.1Å; A282-W315 VanDerWaalsContact CB-NE1 3.35Å; A282-L322 HydrophobicContact CB-CD1 4.01Å; A282-L322 HydrophobicContact CB-CD2 4.22Å
283	S	98.2	Very high	95.8	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.028	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.1	175.2	57.8	0	0	0	0	110.1	T271 D291	T271-S283 WeakPolarHBondContact O-CA 3.47Å; S283-D291 PolarHBondContact N-O 3.03Å; S283-D291 PolarHBondContact O-N 3.41Å
284	A	97.1	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.9	179.6	0	0	0	0	0	112.3	R270 T271 I290 T310 V313	R270-A284 PolarHBondContact N-O 3.37Å; T271-A284 HydrophobicContact CG2-CB 3.82Å; T271-A284 PolarHBondContact N-O 2.76Å; T271-A284 PolarHBondContact O-N 3.41Å; A284-I290 HydrophobicContact CB-CB 4.44Å; A284-I290 HydrophobicContact CB-CG1 3.95Å; A284-I290 HydrophobicContact CB-CG2 4.34Å; A284-T310 HydrophobicContact CB-CG2 3.83Å; A284-V313 HydrophobicContact CB-CG1 4.09Å
285	S	94.9	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.			trans	-144.3	-165.8	-174.2	-169	0	0	0	0	111.7	W267 P268 D287	W267-S285 WeakPolarHBondContact CA-OG 3.35Å; W267-S285 WeakPolarHBondContact CB-OG 3.19Å; W267-S285 PolarHBondContact O-OG 2.87Å; P268-S285 PolarHBondContact O-OG 3.15Å; S285-D287 WeakPolarHBondContact CB-OD1 3.35Å
286	E	91.9	Very high	95.4	Very high	48 Å²	48	24.3 Å²	24.3	22%	0.224	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.3	175.7	-57.4	-72	164.5	0	0	113.1	W267 R270 H288 P309	W267-E286 HydrophobicContact CB-CB 3.85Å; W267-E286 HydrophobicContact CB-CG 4.45Å; W267-E286 HydrophobicContact CD2-CB 4.24Å; W267-E286 HydrophobicContact CG-CB 3.93Å; R270-E286 IonicContact CZ-OE1 3.45Å; R270-E286 IonicContact NE-OE1 2.83Å; R270-E286 PolarHBondContact NE-OE1 3.32Å; R270-E286 IonicContact NH2-OE1 3.01Å; R270-E286 PolarHBondContact NH2-OE1 3.27Å; E286-H288 PolarHBondContact O-CD2 3.02Å; E286-H288 PolarHBondContact O-N 3.06Å; E286-P309 WeakPolarHBondContact OE2-CB 3.24Å; E286-P309 WeakPolarHBondContact OE2-CG 3.45Å
287	D	89.8	Confident	95.5	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.139	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.2	-179.8	48.2	18.6	0	0	0	114.4	L265 D266 S285 F289	L265-D287 WeakPolarHBondContact CA-OD2 3.1Å; L265-D287 VanDerWaalsContact CD2-OD2 3.24Å; L265-D287 WeakPolarHBondContact CD2-OD2 3.31Å; D266-D287 PolarHBondContact N-OD2 3.41Å; S285-D287 WeakPolarHBondContact CB-OD1 3.35Å; D287-F289 HydrophobicContact CB-CD1 3.82Å; D287-F289 HydrophobicContact CB-CE1 3.36Å; D287-F289 HydrophobicContact CB-CZ 3.96Å; D287-F289 VanDerWaalsContact O-CD1 3.22Å; D287-F289 WeakPolarHBondContact O-CD1 3.35Å; D287-F289 PolarHBondContact O-N 3.29Å; D287-F289 WeakPolarHBondContact OD2-CE1 3.29Å; D287-F289 WeakPolarHBondContact OD2-CZ 3.1Å
288	H	92.6	Very high	95.4	Very high	84 Å²	84	22.6 Å²	22.6	39%	0.389	12%	0.116	S	C	.	.	S	Bend	trans	63.1	23.8	175.6	-50.6	177.6	0	0	0	114.2	E286 C306 P309	E286-H288 PolarHBondContact O-CD2 3.02Å; E286-H288 PolarHBondContact O-N 3.06Å; H288-C306 WeakPolarHBondContact CB-O 3.47Å; H288-C306 WeakPolarHBondContact O-CB 3.4Å; H288-C306 PolarHBondContact O-N 2.94Å; H288-P309 VanDerWaalsContact CD2-CD 3.48Å; H288-P309 WeakPolarHBondContact CD2-CD 3.48Å; H288-P309 WeakPolarHBondContact NE2-CD 3.5Å
289	F	93.8	Very high	95.3	Very high	33 Å²	33	25.5 Å²	25.5	15%	0.145	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.8	168	59.2	-95.5	0	0	0	111.8	L265 D287 E303 V304	L265-F289 HydrophobicContact CD2-CD2 4.16Å; L265-F289 HydrophobicContact CD2-CE2 3.53Å; L265-F289 HydrophobicContact CD2-CZ 4.1Å; D287-F289 HydrophobicContact CB-CD1 3.82Å; D287-F289 HydrophobicContact CB-CE1 3.36Å; D287-F289 HydrophobicContact CB-CZ 3.96Å; D287-F289 VanDerWaalsContact O-CD1 3.22Å; D287-F289 WeakPolarHBondContact O-CD1 3.35Å; D287-F289 PolarHBondContact O-N 3.29Å; D287-F289 WeakPolarHBondContact OD2-CE1 3.29Å; D287-F289 WeakPolarHBondContact OD2-CZ 3.1Å; F289-E303 HydrophobicContact CB-CG 3.87Å; F289-E303 HydrophobicContact CD2-CG 4.16Å; F289-E303 HydrophobicContact CG-CG 4.2Å; F289-V304 CarbonylContact C-O 3.55Å; F289-V304 VanDerWaalsContact CA-O 3.25Å; F289-V304 WeakPolarHBondContact CA-O 3.29Å
290	I	97.2	Very high	95.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.8	169.9	-51.8	169.2	0	0	0	106.7	A282 A284 E303 V304 T310 V313 L322 F324	A282-I290 HydrophobicContact CB-CG2 4.15Å; A284-I290 HydrophobicContact CB-CB 4.44Å; A284-I290 HydrophobicContact CB-CG1 3.95Å; A284-I290 HydrophobicContact CB-CG2 4.34Å; I290-E303 WeakPolarHBondContact O-CA 3.36Å; I290-V304 HydrophobicContact CB-CB 4.11Å; I290-V304 HydrophobicContact CD1-CB 4.47Å; I290-V304 PolarHBondContact N-O 3.47Å; I290-V304 PolarHBondContact O-N 3.09Å; I290-T310 HydrophobicContact CD1-CG2 3.99Å; I290-T310 HydrophobicContact CG1-CG2 4.16Å; I290-V313 HydrophobicContact CD1-CG1 4.02Å; I290-V313 HydrophobicContact CG1-CG1 4.41Å; I290-V313 HydrophobicContact CG2-CG1 4.31Å; I290-L322 HydrophobicContact CD1-CD2 4.22Å; I290-L322 HydrophobicContact CG2-CD2 3.98Å; I290-F324 HydrophobicContact CD1-CB 3.98Å; I290-F324 HydrophobicContact CD1-CD1 3.95Å; I290-F324 HydrophobicContact CD1-CD2 3.61Å; I290-F324 HydrophobicContact CD1-CE1 4.3Å; I290-F324 HydrophobicContact CD1-CE2 3.95Å; I290-F324 HydrophobicContact CD1-CG 3.59Å; I290-F324 HydrophobicContact CD1-CZ 4.29Å
291	D	97.6	Very high	95.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.7	172.2	-177.2	71.3	0	0	0	109.3	R264 A282 S283 K300	R264-D291 VanDerWaalsContact CD-CG 3.49Å; R264-D291 WeakPolarHBondContact CD-OD1 3.41Å; R264-D291 VanDerWaalsContact CD-OD2 3.27Å; R264-D291 WeakPolarHBondContact CD-OD2 3.22Å; A282-D291 CarbonylContact C-O 3.28Å; A282-D291 VanDerWaalsContact CA-O 3.29Å; A282-D291 WeakPolarHBondContact CA-O 3.3Å; S283-D291 PolarHBondContact N-O 3.03Å; S283-D291 PolarHBondContact O-N 3.41Å; D291-K300 WeakPolarHBondContact OD1-CD 3.15Å; D291-K300 WeakPolarHBondContact OD1-CG 3.36Å
292	I	97.9	Very high	95.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.3	172.1	-58.9	172.8	0	0	0	107.1	F42 M280 L281 A282 L301 W302 V304 W315 L322 F345	F42-I292 HydrophobicContact CE2-CG2 4.34Å; M280-I292 HydrophobicContact CB-CG2 4.26Å; M280-I292 HydrophobicContact SD-CG2 4.18Å; L281-I292 WeakPolarHBondContact O-CA 3.18Å; A282-I292 HydrophobicContact CB-CG1 4.34Å; I292-L301 HydrophobicContact CG2-CB 4.28Å; I292-L301 HydrophobicContact CG2-CD1 4.38Å; I292-L301 WeakPolarHBondContact O-CA 3.21Å; I292-L301 WeakPolarHBondContact O-CB 3.32Å; I292-L301 PolarHBondContact O-N 2.97Å; I292-W302 HydrophobicContact CB-CB 4.28Å; I292-W302 HydrophobicContact CD1-CB 4.4Å; I292-W302 PolarHBondContact N-O 3.25Å; I292-W302 PolarHBondContact O-N 3.46Å; I292-V304 HydrophobicContact CD1-CG2 4.02Å; I292-W315 HydrophobicContact CD1-CH2 4.06Å; I292-W315 HydrophobicContact CD1-CZ2 4.15Å; I292-W315 HydrophobicContact CG1-CZ2 4.27Å; I292-W315 HydrophobicContact CG2-CH2 4.19Å; I292-W315 HydrophobicContact CG2-CZ2 3.88Å; I292-L322 HydrophobicContact CD1-CD2 4.34Å; I292-F345 HydrophobicContact CD1-CD1 4.44Å; I292-F345 HydrophobicContact CD1-CE1 4.01Å
293	A	97.4	Very high	95	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.2	-178.5	0	0	0	0	0	112.1	F262 M280 L281 D299	F262-A293 HydrophobicContact CD1-CB 3.67Å; F262-A293 HydrophobicContact CE1-CB 3.52Å; M280-A293 CarbonylContact C-O 3.59Å; M280-A293 VanDerWaalsContact CA-O 3.26Å; M280-A293 WeakPolarHBondContact CA-O 3.46Å; L281-A293 PolarHBondContact N-O 3.01Å; L281-A293 PolarHBondContact O-N 2.89Å; A293-D299 CarbonylContact C-O 3.49Å; A293-D299 VanDerWaalsContact CA-O 3.29Å; A293-D299 WeakPolarHBondContact CA-O 3.34Å
294	E	96.8	Very high	94.8	Very high	11 Å²	11	30.5 Å²	30.5	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133	169.6	-175.7	-175	-156.8	0	0	109.9	Y34 V35 K279 T297 G298 D299 L301	Y34-E294 HydrophobicContact CD1-CG 3.95Å; Y34-E294 WeakPolarHBondContact CD1-OE1 3.36Å; Y34-E294 HydrophobicContact CE1-CG 4.02Å; V35-E294 HydrophobicContact CG2-CB 4.45Å; V35-E294 WeakPolarHBondContact CG2-OE2 3.48Å; K279-E294 CarbonylContact O-C 3.57Å; K279-E294 WeakPolarHBondContact O-CA 3.29Å; E294-T297 WeakPolarHBondContact CB-OG1 3.4Å; E294-T297 WeakPolarHBondContact OE2-CB 3.26Å; E294-T297 WeakPolarHBondContact OE2-CG2 3.43Å; E294-T297 PolarHBondContact OE2-OG1 3.07Å; E294-G298 WeakPolarHBondContact O-CA 3.42Å; E294-G298 PolarHBondContact O-N 3.12Å; E294-D299 PolarHBondContact N-O 3.47Å; E294-L301 HydrophobicContact CB-CD1 4.07Å; E294-L301 HydrophobicContact CB-CD2 3.97Å; E294-L301 HydrophobicContact CB-CG 4.04Å
295	V	96.3	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-41.8	-176	175.2	0	0	0	0	111.9	Y238 L250 R260 F274 G278 K279 L281	Y238-V295 HydrophobicContact CD2-CG1 3.51Å; Y238-V295 HydrophobicContact CE2-CG1 3.64Å; Y238-V295 HydrophobicContact CG-CG1 4.38Å; L250-V295 HydrophobicContact CD1-CG1 4.34Å; L250-V295 HydrophobicContact CD2-CG1 3.72Å; R260-V295 PolarHBondContact NE-O 2.9Å; R260-V295 PolarHBondContact NH1-O 2.84Å; F274-V295 HydrophobicContact CD1-CG2 4Å; F274-V295 HydrophobicContact CE1-CG1 4.39Å; F274-V295 HydrophobicContact CE1-CG2 3.66Å; G278-V295 WeakPolarHBondContact O-CG2 3.06Å; K279-V295 PolarHBondContact O-N 2.77Å; L281-V295 HydrophobicContact CB-CG2 4.17Å
296	E	93	Very high	94.4	Very high	86 Å²	86	38.8 Å²	38.8	40%	0.402	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-27.7	-173.9	-68.3	-65.5	173.5	0	0	114.1	K237 Y238 R260	K237-E296 IonicContact NZ-OE1 3.2Å; K237-E296 PolarHBondContact NZ-OE1 2.98Å; K237-E296 IonicContact NZ-OE2 2.6Å; Y238-E296 PolarHBondContact OH-OE1 2.71Å; Y238-E296 PolarHBondContact OH-OE2 2.95Å; R260-E296 PolarHBondContact NH1-O 2.8Å; R260-E296 PolarHBondContact NH2-O 2.9Å
297	T	92.3	Very high	94.1	Very high	56 Å²	56	43 Å²	43	34%	0.344	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-27.5	179.3	60.2	0	0	0	0	113.2	R260 E294 D299	R260-T297 VanDerWaalsContact NH1-CA 3.32Å; R260-T297 PolarHBondContact NH1-O 3.34Å; R260-T297 VanDerWaalsContact NH1-O 3.14Å; E294-T297 WeakPolarHBondContact CB-OG1 3.4Å; E294-T297 WeakPolarHBondContact OE2-CB 3.26Å; E294-T297 WeakPolarHBondContact OE2-CG2 3.43Å; E294-T297 PolarHBondContact OE2-OG1 3.07Å; T297-D299 WeakPolarHBondContact OG1-CB 3.46Å; T297-D299 PolarHBondContact OG1-N 3.21Å
298	G	93.1	Very high	94.1	Very high	16 Å²	16	42.3 Å²	42.3	17%	0.165	21%	0.208	C	C	.	.			trans	83.7	-0.2	-171.1	0	0	0	0	0	113.1	R264 E294	R264-G298 PolarHBondContact NH2-O 3.45Å; E294-G298 WeakPolarHBondContact O-CA 3.42Å; E294-G298 PolarHBondContact O-N 3.12Å
299	D	92.8	Very high	94	Very high	69 Å²	69	39 Å²	39	37%	0.369	19%	0.194	S	C	.	.			trans	-77.1	143.9	-175.3	-74.6	-20.4	0	0	0	111.7	V35 A293 E294 T297 L301	V35-D299 HydrophobicContact CG2-CB 4.43Å; A293-D299 CarbonylContact C-O 3.49Å; A293-D299 VanDerWaalsContact CA-O 3.29Å; A293-D299 WeakPolarHBondContact CA-O 3.34Å; E294-D299 PolarHBondContact N-O 3.47Å; T297-D299 WeakPolarHBondContact OG1-CB 3.46Å; T297-D299 PolarHBondContact OG1-N 3.21Å; D299-L301 PolarHBondContact O-N 3.17Å
300	K	94.6	Very high	94	Very high	78 Å²	78	37.5 Å²	37.5	34%	0.339	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.8	173.4	-178.7	162.5	77.4	173.2	0	109	Q39 R264 D291 E303	Q39-K300 PolarHBondContact NE2-O 2.89Å; R264-K300 VanDerWaalsContact CZ-CB 3.47Å; D291-K300 WeakPolarHBondContact OD1-CD 3.15Å; D291-K300 WeakPolarHBondContact OD1-CG 3.36Å; K300-E303 HydrophobicContact CD-CB 4.46Å; K300-E303 IonicContact NZ-OE2 3.95Å; K300-E303 PolarHBondContact NZ-OE2 3.49Å
301	L	95	Very high	93.8	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-47	172.5	-61.1	179.4	0	0	0	110.4	Y34 V35 M38 Q39 M280 I292 E294 D299	Y34-L301 HydrophobicContact CE1-CD1 4.24Å; V35-L301 HydrophobicContact CB-CD2 3.94Å; V35-L301 HydrophobicContact CG1-CD2 3.83Å; V35-L301 HydrophobicContact CG2-CD2 3.83Å; M38-L301 HydrophobicContact CB-CD1 4.28Å; M38-L301 HydrophobicContact CB-CD2 4.29Å; Q39-L301 WeakPolarHBondContact CG-O 3.29Å; M280-L301 HydrophobicContact CB-CD1 4.3Å; M280-L301 HydrophobicContact CG-CD1 3.51Å; M280-L301 HydrophobicContact SD-CD1 3.69Å; I292-L301 HydrophobicContact CG2-CB 4.28Å; I292-L301 HydrophobicContact CG2-CD1 4.38Å; I292-L301 WeakPolarHBondContact O-CA 3.21Å; I292-L301 WeakPolarHBondContact O-CB 3.32Å; I292-L301 PolarHBondContact O-N 2.97Å; E294-L301 HydrophobicContact CB-CD1 4.07Å; E294-L301 HydrophobicContact CB-CD2 3.97Å; E294-L301 HydrophobicContact CB-CG 4.04Å; D299-L301 PolarHBondContact O-N 3.17Å
302	W	96.4	Very high	93.7	Very high	56 Å²	56	39.9 Å²	39.9	21%	0.212	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.1	-175	-158.9	-99.3	0	0	0	111.8	F42 R43 I292 F345	F42-W302 HydrophobicContact CB-CB 4.33Å; F42-W302 HydrophobicContact CB-CD2 3.47Å; F42-W302 VanDerWaalsContact CB-CD2 3.47Å; F42-W302 HydrophobicContact CB-CE3 3.54Å; F42-W302 HydrophobicContact CB-CG 3.83Å; F42-W302 HydrophobicContact CB-CH2 4.48Å; F42-W302 HydrophobicContact CB-CZ2 4.44Å; F42-W302 HydrophobicContact CB-CZ3 4.07Å; F42-W302 HydrophobicContact CD2-CB 3.8Å; F42-W302 HydrophobicContact CD2-CG 4.22Å; F42-W302 HydrophobicContact CE2-CB 4.41Å; F42-W302 HydrophobicContact CG-CB 4.19Å; F42-W302 HydrophobicContact CG-CD2 4.28Å; F42-W302 HydrophobicContact CG-CG 4.12Å; R43-W302 HydrophobicContact CB-CH2 4.31Å; R43-W302 HydrophobicContact CG-CH2 3.61Å; R43-W302 HydrophobicContact CG-CZ3 3.63Å; I292-W302 HydrophobicContact CB-CB 4.28Å; I292-W302 HydrophobicContact CD1-CB 4.4Å; I292-W302 PolarHBondContact N-O 3.25Å; I292-W302 PolarHBondContact O-N 3.46Å; W302-F345 AromaticContact CD1-CZ 3.53Å; W302-F345 HydrophobicContact CG-CZ 4.4Å; W302-F345 AromaticContact NE1-CE2 3.96Å; W302-F345 AromaticContact NE1-CZ 3.56Å
303	E	95.5	Very high	93.7	Very high	66 Å²	66	40.2 Å²	40.2	31%	0.308	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.9	173.6	-174.8	-179.7	104.6	0	0	108.2	F289 I290 K300	F289-E303 HydrophobicContact CB-CG 3.87Å; F289-E303 HydrophobicContact CD2-CG 4.16Å; F289-E303 HydrophobicContact CG-CG 4.2Å; I290-E303 WeakPolarHBondContact O-CA 3.36Å; K300-E303 HydrophobicContact CD-CB 4.46Å; K300-E303 IonicContact NZ-OE2 3.95Å; K300-E303 PolarHBondContact NZ-OE2 3.49Å
304	V	95.3	Very high	93.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.4	176.1	-171.4	0	0	0	0	107.9	F289 I290 I292 F324 F345	F289-V304 CarbonylContact C-O 3.55Å; F289-V304 VanDerWaalsContact CA-O 3.25Å; F289-V304 WeakPolarHBondContact CA-O 3.29Å; I290-V304 HydrophobicContact CB-CB 4.11Å; I290-V304 HydrophobicContact CD1-CB 4.47Å; I290-V304 PolarHBondContact N-O 3.47Å; I290-V304 PolarHBondContact O-N 3.09Å; I292-V304 HydrophobicContact CD1-CG2 4.02Å; V304-F324 HydrophobicContact CG1-CZ 4.37Å; V304-F345 HydrophobicContact CG1-CD2 3.84Å; V304-F345 HydrophobicContact CG1-CE2 4.24Å; V304-F345 HydrophobicContact CG1-CG 4.18Å; V304-F345 HydrophobicContact CG2-CD1 3.76Å; V304-F345 HydrophobicContact CG2-CD2 3.89Å; V304-F345 HydrophobicContact CG2-CE1 3.67Å; V304-F345 HydrophobicContact CG2-CE2 3.79Å; V304-F345 HydrophobicContact CG2-CG 3.88Å; V304-F345 HydrophobicContact CG2-CZ 3.69Å
305	Q	92.3	Very high	93.8	Very high	159 Å²	159	40.9 Å²	40.9	74%	0.743	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.4	174.3	-66.3	-178.8	-4.3	0	0	110.3
306	C	90	Very high	93.8	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	21%	0.206	C	C	.	.			trans	-123.7	153.4	179.3	-58.3	0	0	0	0	109.4	H288 S308 T310	H288-C306 WeakPolarHBondContact CB-O 3.47Å; H288-C306 WeakPolarHBondContact O-CB 3.4Å; H288-C306 PolarHBondContact O-N 2.94Å; C306-S308 VanDerWaalsContact C-N 3.26Å; C306-S308 WeakPolarHBondContact CB-O 3.13Å; C306-T310 PolarHBondContact SG-OG1 2.85Å
307	E	87	Confident	93.9	Very high	136 Å²	136	39.2 Å²	39.2	64%	0.636	20%	0.2	S	C	*	.	S	Bend	trans	-74.9	-20.3	175	-59.5	84.2	-175.5	0	0	112.8	K343	E307-K343 IonicContact OE2-NZ 3.78Å; E307-K343 PolarHBondContact OE2-NZ 2.71Å
308	S	88.7	Confident	93.9	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	21%	0.21	C	C	.	.	S	Bend	trans	-147.5	165	-173.3	56.1	0	0	0	0	112.3	C306 T310 C326 D327	C306-S308 VanDerWaalsContact C-N 3.26Å; C306-S308 WeakPolarHBondContact CB-O 3.13Å; S308-T310 PolarHBondContact O-N 2.82Å; S308-C326 WeakPolarHBondContact OG-CB 3.48Å; S308-D327 WeakPolarHBondContact CB-O 3.27Å; S308-D327 PolarHBondContact OG-O 3.4Å; S308-D327 VanDerWaalsContact OG-O 3.05Å
309	P	91.8	Very high	93.8	Very high	15 Å²	15	46.1 Å²	46.1	10%	0.097	22%	0.219	C	C	.	.			trans	-54.2	132.2	177.6	-29.6	38.4	0	0	0	112.4	E286 H288 F311 C326 D327	E286-P309 WeakPolarHBondContact OE2-CB 3.24Å; E286-P309 WeakPolarHBondContact OE2-CG 3.45Å; H288-P309 VanDerWaalsContact CD2-CD 3.48Å; H288-P309 WeakPolarHBondContact CD2-CD 3.48Å; H288-P309 WeakPolarHBondContact NE2-CD 3.5Å; P309-F311 HydrophobicContact CB-CE1 4.28Å; P309-F311 HydrophobicContact CB-CZ 4.34Å; P309-C326 CarbonylContact O-C 3.56Å; P309-C326 WeakPolarHBondContact O-CA 3.14Å; P309-C326 WeakPolarHBondContact O-CB 3.49Å; P309-D327 HydrophobicContact CB-CB 4.49Å; P309-D327 PolarHBondContact O-N 3.33Å
310	T	93.9	Very high	93.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.7	178.9	-60.9	0	0	0	0	109.8	A284 I290 C306 S308 V313 F324 C326	A284-T310 HydrophobicContact CB-CG2 3.83Å; I290-T310 HydrophobicContact CD1-CG2 3.99Å; I290-T310 HydrophobicContact CG1-CG2 4.16Å; C306-T310 PolarHBondContact SG-OG1 2.85Å; S308-T310 PolarHBondContact O-N 2.82Å; T310-V313 HydrophobicContact CG2-CG1 3.57Å; T310-F324 HydrophobicContact CG2-CB 4Å; T310-F324 HydrophobicContact CG2-CD2 4.07Å; T310-F324 HydrophobicContact CG2-CG 4.48Å; T310-C326 PolarHBondContact OG1-SG 2.91Å; T310-C326 VanDerWaalsContact OG1-SG 3.33Å
311	F	92.1	Very high	93.8	Very high	40 Å²	40	41.1 Å²	41.1	18%	0.175	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-27.4	-177.9	-63.5	-51.4	0	0	0	114.1	K57 T271 P309 A325 D327	K57-F311 HydrophobicContact CD-CE2 4.25Å; K57-F311 VanDerWaalsContact CE-CD2 3.43Å; T271-F311 WeakPolarHBondContact CB-O 3.27Å; P309-F311 HydrophobicContact CB-CE1 4.28Å; P309-F311 HydrophobicContact CB-CZ 4.34Å; F311-A325 PolarHBondContact N-O 2.87Å; F311-D327 HydrophobicContact CD2-CB 4.34Å; F311-D327 HydrophobicContact CE2-CB 3.21Å; F311-D327 VanDerWaalsContact CE2-CG 3.43Å; F311-D327 WeakPolarHBondContact CE2-OD1 3.3Å; F311-D327 HydrophobicContact CZ-CB 3.43Å; F311-D327 VanDerWaalsContact CZ-CB 3.43Å
312	T	96	Very high	93.9	Very high	12 Å²	12	41 Å²	41	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.1	-173.8	-175.9	0	0	0	0	109.8	V61 F324 A325	V61-T312 HydrophobicContact CB-CG2 4.14Å; V61-T312 HydrophobicContact CG1-CG2 3.72Å; V61-T312 PolarHBondContact N-OG1 2.95Å; T312-F324 WeakPolarHBondContact O-CA 3.4Å; T312-F324 WeakPolarHBondContact O-CB 3.19Å; T312-A325 HydrophobicContact CG2-CB 3.76Å; T312-A325 PolarHBondContact O-N 3.03Å
313	V	97.7	Very high	94	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.4	176.2	-60	0	0	0	0	109.4	T271 S273 A282 A284 I290 T310 L322 A323 F324	T271-V313 HydrophobicContact CG2-CB 4.2Å; T271-V313 HydrophobicContact CG2-CG1 3.85Å; T271-V313 HydrophobicContact CG2-CG2 3.66Å; T271-V313 PolarHBondContact OG1-N 3.29Å; S273-V313 WeakPolarHBondContact CB-O 3.27Å; A282-V313 HydrophobicContact CB-CG2 4.35Å; A284-V313 HydrophobicContact CB-CG1 4.09Å; I290-V313 HydrophobicContact CD1-CG1 4.02Å; I290-V313 HydrophobicContact CG1-CG1 4.41Å; I290-V313 HydrophobicContact CG2-CG1 4.31Å; T310-V313 HydrophobicContact CG2-CG1 3.57Å; V313-L322 HydrophobicContact CB-CD1 4.29Å; V313-A323 CarbonylContact C-O 3.32Å; V313-A323 WeakPolarHBondContact CA-O 3.15Å; V313-F324 HydrophobicContact CB-CB 4.41Å; V313-F324 HydrophobicContact CG1-CB 3.82Å
314	A	97.9	Very high	94	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	116.1	179.5	0	0	0	0	0	110.7	V61 W63 A323	V61-A314 HydrophobicContact CG1-CB 4.03Å; W63-A314 PolarHBondContact NE1-O 3.07Å; A314-A323 PolarHBondContact N-O 2.7Å; A314-A323 PolarHBondContact O-N 2.77Å
315	W	97.9	Very high	94	Very high	15 Å²	15	35 Å²	35	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	143.4	169.4	-75.4	98.8	0	0	0	111.7	F42 W63 S273 F274 M280 A282 I292 P320 L322	F42-W315 HydrophobicContact CE1-CH2 4.48Å; F42-W315 AromaticContact CZ-CH2 3.98Å; F42-W315 HydrophobicContact CZ-CH2 3.98Å; W63-W315 VanDerWaalsContact CD1-O 3.32Å; S273-W315 VanDerWaalsContact C-CD1 3.49Å; S273-W315 PolarHBondContact O-NE1 3.17Å; S273-W315 PolarHBondContact OG-N 3.04Å; F274-W315 WeakPolarHBondContact O-CB 3.2Å; M280-W315 HydrophobicContact CB-CZ2 4.32Å; M280-W315 HydrophobicContact CE-CH2 3.79Å; M280-W315 HydrophobicContact CE-CZ2 4.34Å; M280-W315 HydrophobicContact CE-CZ3 3.93Å; M280-W315 HydrophobicContact SD-CH2 4.17Å; A282-W315 HydrophobicContact CB-CZ2 4.1Å; A282-W315 VanDerWaalsContact CB-NE1 3.35Å; I292-W315 HydrophobicContact CD1-CH2 4.06Å; I292-W315 HydrophobicContact CD1-CZ2 4.15Å; I292-W315 HydrophobicContact CG1-CZ2 4.27Å; I292-W315 HydrophobicContact CG2-CH2 4.19Å; I292-W315 HydrophobicContact CG2-CZ2 3.88Å; W315-P320 HydrophobicContact CZ3-CB 4.33Å; W315-L322 HydrophobicContact CD2-CD1 3.72Å; W315-L322 HydrophobicContact CE3-CB 4.38Å; W315-L322 HydrophobicContact CE3-CD1 4.26Å; W315-L322 HydrophobicContact CG-CD1 3.86Å; W315-L322 HydrophobicContact CZ2-CD1 4.22Å; W315-L322 HydrophobicContact CZ3-CB 4.34Å
316	H	97.1	Very high	93.9	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.042	14%	0.137	C	C	.	.			trans	-68.5	137	167.8	-179.1	-80.4	0	0	0	110.5	W63 G67 K318 R319 L321	W63-H316 HydrophobicContact CD2-CB 4.29Å; W63-H316 AromaticContact CD2-CD2 3.88Å; W63-H316 AromaticContact CE3-CD2 3.54Å; W63-H316 AromaticContact CH2-CD2 3.67Å; W63-H316 HydrophobicContact CZ2-CB 4.35Å; W63-H316 AromaticContact CZ2-CD2 3.94Å; W63-H316 AromaticContact CZ3-CD2 3.45Å; W63-H316 VanDerWaalsContact CZ3-CD2 3.45Å; W63-H316 WeakPolarHBondContact CZ3-CD2 3.44Å; G67-H316 WeakPolarHBondContact CA-NE2 3.47Å; G67-H316 PolarHBondContact O-CD2 3.17Å; G67-H316 PolarHBondContact O-NE2 2.66Å; H316-K318 PolarHBondContact ND1-N 3.22Å; H316-K318 VanDerWaalsContact ND1-N 3.13Å; H316-K318 PolarHBondContact O-N 2.94Å; H316-R319 HydrophobicContact CB-CB 4.49Å; H316-R319 WeakPolarHBondContact ND1-CB 3.4Å; H316-R319 PolarHBondContact ND1-N 2.96Å; H316-L321 HydrophobicContact CB-CB 3.8Å; H316-L321 WeakPolarHBondContact CB-O 3.37Å; H316-L321 PolarHBondContact N-O 3.05Å
317	P	94.4	Very high	93.4	Very high	43 Å²	43	27.7 Å²	27.7	28%	0.279	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-1.4	-170.9	28.8	-38.9	0	0	0	115.4	S64 G67 H276	S64-P317 WeakPolarHBondContact O-CG 3.43Å; G67-P317 VanDerWaalsContact CA-CG 3.44Å; H276-P317 WeakPolarHBondContact CB-O 3.25Å
318	K	92.3	Very high	92.6	Very high	126 Å²	126	22.7 Å²	22.7	55%	0.548	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	-8.7	-176.5	-56.8	175.7	-179.9	162.5	0	115.5	D66 H276 H316	D66-K318 WeakPolarHBondContact O-CE 3.44Å; D66-K318 PolarHBondContact O-NZ 3.47Å; H276-K318 VanDerWaalsContact CE1-C 3.48Å; H316-K318 PolarHBondContact ND1-N 3.22Å; H316-K318 VanDerWaalsContact ND1-N 3.13Å; H316-K318 PolarHBondContact O-N 2.94Å
319	R	91.8	Very high	91.3	Very high	90 Å²	90	29.2 Å²	29.2	34%	0.34	14%	0.141	S	C	.	.	S	Bend	trans	-136.8	152.1	-170.4	-66.9	179.7	72.2	-172.3	-1.3	107.6	D87 H316 L321	D87-R319 IonicContact OD1-CZ 3.58Å; D87-R319 VanDerWaalsContact OD1-CZ 3.29Å; D87-R319 IonicContact OD1-NH1 3.62Å; D87-R319 PolarHBondContact OD1-NH1 2.85Å; D87-R319 IonicContact OD1-NH2 2.93Å; D87-R319 PolarHBondContact OD1-NH2 2.74Å; D87-R319 IonicContact OD2-NH2 3.62Å; H316-R319 HydrophobicContact CB-CB 4.49Å; H316-R319 WeakPolarHBondContact ND1-CB 3.4Å; H316-R319 PolarHBondContact ND1-N 2.96Å; R319-L321 HydrophobicContact CB-CD1 4.3Å; R319-L321 HydrophobicContact CB-CG 3.99Å; R319-L321 PolarHBondContact O-N 3.06Å
320	P	92.2	Very high	89.3	Confident	42 Å²	42	34.1 Å²	34.1	27%	0.273	17%	0.166	S	C	.	.	S	Bend	trans	-77.1	53.1	172.8	33.2	-33.8	0	0	0	110.5	M38 L41 F42 M280 W315	M38-P320 HydrophobicContact CE-CB 4.39Å; L41-P320 HydrophobicContact CD2-CB 4.16Å; L41-P320 HydrophobicContact CD2-CG 3.69Å; F42-P320 HydrophobicContact CE1-CB 4.49Å; M280-P320 HydrophobicContact CE-CB 4.29Å; W315-P320 HydrophobicContact CZ3-CB 4.33Å
321	L	94.7	Very high	87	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.2	C	C	.	.			trans	-105.2	134.4	172.6	-64.5	-178.9	0	0	0	108.4	L84 H316 R319 L344 F345 G346 L347	L84-L321 HydrophobicContact CD2-CD1 3.91Å; H316-L321 HydrophobicContact CB-CB 3.8Å; H316-L321 WeakPolarHBondContact CB-O 3.37Å; H316-L321 PolarHBondContact N-O 3.05Å; R319-L321 HydrophobicContact CB-CD1 4.3Å; R319-L321 HydrophobicContact CB-CG 3.99Å; R319-L321 PolarHBondContact O-N 3.06Å; L321-L344 HydrophobicContact CB-CD1 4.25Å; L321-F345 WeakPolarHBondContact CA-O 3.18Å; L321-G346 VanDerWaalsContact CD2-C 3.43Å; L321-G346 WeakPolarHBondContact CD2-O 3.45Å; L321-L347 HydrophobicContact CD2-CD2 3.79Å
322	L	97.1	Very high	84.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.7	178.9	-171.9	72	0	0	0	108.8	A282 I290 I292 V313 W315 F345	A282-L322 HydrophobicContact CB-CD1 4.01Å; A282-L322 HydrophobicContact CB-CD2 4.22Å; I290-L322 HydrophobicContact CD1-CD2 4.22Å; I290-L322 HydrophobicContact CG2-CD2 3.98Å; I292-L322 HydrophobicContact CD1-CD2 4.34Å; V313-L322 HydrophobicContact CB-CD1 4.29Å; W315-L322 HydrophobicContact CD2-CD1 3.72Å; W315-L322 HydrophobicContact CE3-CB 4.38Å; W315-L322 HydrophobicContact CE3-CD1 4.26Å; W315-L322 HydrophobicContact CG-CD1 3.86Å; W315-L322 HydrophobicContact CZ2-CD1 4.22Å; W315-L322 HydrophobicContact CZ3-CB 4.34Å; L322-F345 HydrophobicContact CB-CB 4.43Å; L322-F345 HydrophobicContact CB-CD1 4.29Å; L322-F345 PolarHBondContact N-O 3.24Å; L322-F345 PolarHBondContact O-N 2.72Å
323	A	97.4	Very high	82	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.1	168.5	0	0	0	0	0	108.9	V61 W63 L70 V313 A314 K343 L344	V61-A323 HydrophobicContact CG2-CB 4.27Å; W63-A323 HydrophobicContact CZ2-CB 4.26Å; L70-A323 HydrophobicContact CD1-CB 3.78Å; L70-A323 HydrophobicContact CD2-CB 3.83Å; L70-A323 HydrophobicContact CG-CB 4.48Å; V313-A323 CarbonylContact C-O 3.32Å; V313-A323 WeakPolarHBondContact CA-O 3.15Å; A314-A323 PolarHBondContact N-O 2.7Å; A314-A323 PolarHBondContact O-N 2.77Å; A323-K343 CarbonylContact C-O 3.53Å; A323-K343 WeakPolarHBondContact CA-O 3.45Å; A323-L344 HydrophobicContact CB-CD1 4.18Å
324	F	96.8	Very high	79.3	Confident	3 Å²	3	59.2 Å²	59.2	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.5	178.5	64.9	-81.3	0	0	0	111.2	T48 I290 V304 T310 T312 V313 C326 K343 F345	T48-F324 HydrophobicContact CG2-CE1 4.04Å; T48-F324 HydrophobicContact CG2-CZ 3.81Å; I290-F324 HydrophobicContact CD1-CB 3.98Å; I290-F324 HydrophobicContact CD1-CD1 3.95Å; I290-F324 HydrophobicContact CD1-CD2 3.61Å; I290-F324 HydrophobicContact CD1-CE1 4.3Å; I290-F324 HydrophobicContact CD1-CE2 3.95Å; I290-F324 HydrophobicContact CD1-CG 3.59Å; I290-F324 HydrophobicContact CD1-CZ 4.29Å; V304-F324 HydrophobicContact CG1-CZ 4.37Å; T310-F324 HydrophobicContact CG2-CB 4Å; T310-F324 HydrophobicContact CG2-CD2 4.07Å; T310-F324 HydrophobicContact CG2-CG 4.48Å; T312-F324 WeakPolarHBondContact O-CA 3.4Å; T312-F324 WeakPolarHBondContact O-CB 3.19Å; V313-F324 HydrophobicContact CB-CB 4.41Å; V313-F324 HydrophobicContact CG1-CB 3.82Å; F324-C326 VanDerWaalsContact CD2-SG 3.53Å; F324-C326 VanDerWaalsContact CE2-SG 3.59Å; F324-K343 HydrophobicContact CD1-CB 4.04Å; F324-K343 HydrophobicContact CD2-CB 4.07Å; F324-K343 HydrophobicContact CE1-CB 3.63Å; F324-K343 HydrophobicContact CE2-CB 3.69Å; F324-K343 HydrophobicContact CE2-CD 3.72Å; F324-K343 HydrophobicContact CE2-CG 4.1Å; F324-K343 HydrophobicContact CG-CB 4.25Å; F324-K343 HydrophobicContact CZ-CB 3.46Å; F324-K343 VanDerWaalsContact CZ-CB 3.46Å; F324-K343 HydrophobicContact CZ-CD 3.94Å; F324-K343 HydrophobicContact CZ-CG 4.23Å; F324-K343 PolarHBondContact N-O 2.91Å; F324-K343 PolarHBondContact O-N 3.48Å; F324-F345 HydrophobicContact CD1-CB 4.48Å; F324-F345 HydrophobicContact CE1-CB 3.84Å
325	A	94.9	Very high	76.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.9	173.7	0	0	0	0	0	110.7	V58 F311 T312	V58-A325 HydrophobicContact CB-CB 3.8Å; V58-A325 HydrophobicContact CG1-CB 3.72Å; F311-A325 PolarHBondContact N-O 2.87Å; T312-A325 HydrophobicContact CG2-CB 3.76Å; T312-A325 PolarHBondContact O-N 3.03Å
326	C	90.1	Very high	74.1	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	168.2	-172.4	-49.8	0	0	0	0	112.2	S308 P309 T310 F324 D328	S308-C326 WeakPolarHBondContact OG-CB 3.48Å; P309-C326 CarbonylContact O-C 3.56Å; P309-C326 WeakPolarHBondContact O-CA 3.14Å; P309-C326 WeakPolarHBondContact O-CB 3.49Å; T310-C326 PolarHBondContact OG1-SG 2.91Å; T310-C326 VanDerWaalsContact OG1-SG 3.33Å; F324-C326 VanDerWaalsContact CD2-SG 3.53Å; F324-C326 VanDerWaalsContact CE2-SG 3.59Å; C326-D328 VanDerWaalsContact C-N 3.27Å; C326-D328 PolarHBondContact O-N 3.13Å
327	D	80.6	Confident	71.8	Confident	16 Å²	16	76 Å²	76	9%	0.086	39%	0.385	C	S	.	.			trans	-73.6	78.3	168.5	-147.9	26.9	0	0	0	109.7	K57 S308 P309 F311 K329	K57-D327 WeakPolarHBondContact CE-OD1 3.44Å; K57-D327 IonicContact NZ-OD1 2.74Å; K57-D327 PolarHBondContact NZ-OD1 2.85Å; K57-D327 IonicContact NZ-OD2 3.29Å; S308-D327 WeakPolarHBondContact CB-O 3.27Å; S308-D327 PolarHBondContact OG-O 3.4Å; S308-D327 VanDerWaalsContact OG-O 3.05Å; P309-D327 HydrophobicContact CB-CB 4.49Å; P309-D327 PolarHBondContact O-N 3.33Å; F311-D327 HydrophobicContact CD2-CB 4.34Å; F311-D327 HydrophobicContact CE2-CB 3.21Å; F311-D327 VanDerWaalsContact CE2-CG 3.43Å; F311-D327 WeakPolarHBondContact CE2-OD1 3.3Å; F311-D327 HydrophobicContact CZ-CB 3.43Å; F311-D327 VanDerWaalsContact CZ-CB 3.43Å; D327-K329 PolarHBondContact O-N 2.82Å; D327-K329 WeakPolarHBondContact OD2-CD 3.28Å; D327-K329 WeakPolarHBondContact OD2-CE 3.39Å; D327-K329 IonicContact OD2-NZ 2.76Å; D327-K329 PolarHBondContact OD2-NZ 2.67Å
328	D	68.6	Low	70.2	Confident	32 Å²	32	78.8 Å²	78.8	17%	0.171	39%	0.394	C	S	.	.			trans	-70.9	70.8	174.5	-59.6	-39	0	0	0	110.1	C326 D330 A339 T341 K343	C326-D328 VanDerWaalsContact C-N 3.27Å; C326-D328 PolarHBondContact O-N 3.13Å; D328-D330 PolarHBondContact O-N 2.71Å; D328-A339 VanDerWaalsContact CB-O 3.32Å; D328-A339 WeakPolarHBondContact CB-O 3.2Å; D328-T341 WeakPolarHBondContact OD2-CB 3.07Å; D328-T341 VanDerWaalsContact OD2-CG2 3.3Å; D328-T341 WeakPolarHBondContact OD2-CG2 3.18Å; D328-T341 PolarHBondContact OD2-N 3.43Å; D328-T341 PolarHBondContact OD2-OG1 3.36Å; D328-K343 IonicContact OD1-NZ 4Å
329	K	61.4	Low	69.3	Low	149 Å²	149	74.2 Å²	74.2	65%	0.648	38%	0.38	S	S	*	.			trans	-78.4	103.5	164.5	-77	178.9	177.8	138.8	0	106.4	D327 G331	D327-K329 PolarHBondContact O-N 2.82Å; D327-K329 WeakPolarHBondContact OD2-CD 3.28Å; D327-K329 WeakPolarHBondContact OD2-CE 3.39Å; D327-K329 IonicContact OD2-NZ 2.76Å; D327-K329 PolarHBondContact OD2-NZ 2.67Å; K329-G331 PolarHBondContact O-N 3.2Å
330	D	49.9	Very low	68.9	Low	117 Å²	117	70 Å²	70	63%	0.626	37%	0.365	S	S	*	.			trans	-60.9	95.6	164.6	-92.8	-20.8	0	0	0	108.2	D328 K332	D328-D330 PolarHBondContact O-N 2.71Å; D330-K332 PolarHBondContact O-N 2.51Å
331	G	46.3	Very low	68.8	Low	69 Å²	69	68.9 Å²	68.9	71%	0.711	36%	0.357	S	S	*	.			trans	-70.5	74	177.9	0	0	0	0	0	110.7	K329	K329-G331 PolarHBondContact O-N 3.2Å
332	K	40.7	Very low	68.8	Low	180 Å²	180	68.8 Å²	68.8	78%	0.783	36%	0.357	S	S	*	.	S	Bend	trans	-179.2	106.5	156.9	-100.4	154.9	-169.3	-179.1	0	110.5	D330 D334	D330-K332 PolarHBondContact O-N 2.51Å; K332-D334 PolarHBondContact O-N 3Å
333	Y	42.2	Very low	68.7	Low	247 Å²	247	69 Å²	69	97%	0.969	36%	0.358	S	S	*	.	S	Bend	trans	55.7	3.3	152	-80.9	-81.8	0	0	0	120.8
334	D	40.6	Very low	68.6	Low	91 Å²	91	69 Å²	69	49%	0.487	36%	0.358	S	S	.	.			trans	-128.9	91.7	177.1	-150.7	-9.4	0	0	0	111.1	K332 S336	K332-D334 PolarHBondContact O-N 3Å; D334-S336 PolarHBondContact O-N 3.44Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.45Å; D334-S336 PolarHBondContact OD1-N 3.09Å; D334-S336 PolarHBondContact OD1-OG 3.41Å; D334-S336 PolarHBondContact OD2-OG 3.34Å
335	S	45	Very low	68.6	Low	125 Å²	125	69 Å²	69	87%	0.874	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	10.1	171.5	61.6	0	0	0	0	113.2
336	S	41.7	Very low	68.4	Low	82 Å²	82	69.2 Å²	69.2	57%	0.573	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.1	-176.4	77.1	0	0	0	0	114.5	D334	D334-S336 PolarHBondContact O-N 3.44Å; D334-S336 VanDerWaalsContact OD1-CB 3.23Å; D334-S336 WeakPolarHBondContact OD1-CB 3.45Å; D334-S336 PolarHBondContact OD1-N 3.09Å; D334-S336 PolarHBondContact OD1-OG 3.41Å; D334-S336 PolarHBondContact OD2-OG 3.34Å
337	R	49.6	Very low	68.2	Low	181 Å²	181	69 Å²	69	68%	0.683	36%	0.359	S	S	*	.			trans	-136.6	64.5	179.5	-65.5	-173.1	179.4	-178.6	0.8	112.8	A339	R337-A339 VanDerWaalsContact C-N 3.27Å; R337-A339 PolarHBondContact O-N 2.89Å
338	E	60.6	Low	68.3	Low	100 Å²	100	69.9 Å²	69.9	47%	0.467	37%	0.365	S	S	.	.			trans	-67.8	92.3	156.9	-67.5	-176.8	177.6	0	0	107.6	S55 A56	S55-E338 CarbonylContact C-O 3.48Å; A56-E338 WeakPolarHBondContact CA-O 3.44Å; A56-E338 PolarHBondContact N-O 3.47Å; A56-E338 VanDerWaalsContact N-O 3.13Å
339	A	72.3	Confident	68.9	Low	31 Å²	31	71.4 Å²	71.4	26%	0.256	37%	0.373	S	S	.	.			trans	-84	116.6	177.4	0	0	0	0	0	109	L52 D328 R337 T341	L52-A339 HydrophobicContact CD1-CB 3.72Å; D328-A339 VanDerWaalsContact CB-O 3.32Å; D328-A339 WeakPolarHBondContact CB-O 3.2Å; R337-A339 VanDerWaalsContact C-N 3.27Å; R337-A339 PolarHBondContact O-N 2.89Å; A339-T341 PolarHBondContact O-N 3.24Å
340	G	83.9	Confident	69.4	Low	2 Å²	2	72.4 Å²	72.4	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	101	175.5	0	0	0	0	0	111	A53 H54 A56	A53-G340 PolarHBondContact N-O 3.02Å; H54-G340 PolarHBondContact N-O 3.49Å; H54-G340 PolarHBondContact O-N 3.4Å; A56-G340 WeakPolarHBondContact O-CA 3.23Å; A56-G340 PolarHBondContact O-N 3.4Å
341	T	91	Very high	69.8	Low	17 Å²	17	70.1 Å²	70.1	10%	0.104	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	147.2	175.4	80	0	0	0	0	112.4	F51 L52 D328 A339 K343	F51-T341 WeakPolarHBondContact O-CA 3.22Å; L52-T341 HydrophobicContact CD1-CG2 4.46Å; D328-T341 WeakPolarHBondContact OD2-CB 3.07Å; D328-T341 VanDerWaalsContact OD2-CG2 3.3Å; D328-T341 WeakPolarHBondContact OD2-CG2 3.18Å; D328-T341 PolarHBondContact OD2-N 3.43Å; D328-T341 PolarHBondContact OD2-OG1 3.36Å; A339-T341 PolarHBondContact O-N 3.24Å; T341-K343 WeakPolarHBondContact OG1-CE 2.91Å
342	V	94.8	Very high	71	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.2	166.6	176.1	0	0	0	0	106.9	F51 A53 V58 V61 L70	F51-V342 WeakPolarHBondContact CD2-O 3.39Å; F51-V342 PolarHBondContact N-O 3.13Å; F51-V342 PolarHBondContact O-N 2.99Å; A53-V342 HydrophobicContact CB-CG2 3.77Å; V58-V342 HydrophobicContact CG2-CG2 4.5Å; V61-V342 HydrophobicContact CG2-CG1 4.2Å; L70-V342 HydrophobicContact CD2-CG1 3.61Å
343	K	94.9	Very high	72.6	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.7	-177.7	-51.5	-165	-165.5	-155.5	0	109.8	T48 R49 E50 E307 A323 F324 D328 T341	T48-K343 HydrophobicContact CG2-CB 3.81Å; T48-K343 HydrophobicContact CG2-CD 4.35Å; R49-K343 CarbonylContact O-C 2.91Å; R49-K343 WeakPolarHBondContact O-CA 3.48Å; E50-K343 HydrophobicContact CG-CD 4Å; E50-K343 HydrophobicContact CG-CG 4.04Å; E50-K343 VanDerWaalsContact OE1-CE 3.27Å; E50-K343 WeakPolarHBondContact OE1-CE 3.5Å; E50-K343 IonicContact OE1-NZ 2.94Å; E50-K343 PolarHBondContact OE1-NZ 3.35Å; E307-K343 IonicContact OE2-NZ 3.78Å; E307-K343 PolarHBondContact OE2-NZ 2.71Å; A323-K343 CarbonylContact C-O 3.53Å; A323-K343 WeakPolarHBondContact CA-O 3.45Å; F324-K343 HydrophobicContact CD1-CB 4.04Å; F324-K343 HydrophobicContact CD2-CB 4.07Å; F324-K343 HydrophobicContact CE1-CB 3.63Å; F324-K343 HydrophobicContact CE2-CB 3.69Å; F324-K343 HydrophobicContact CE2-CD 3.72Å; F324-K343 HydrophobicContact CE2-CG 4.1Å; F324-K343 HydrophobicContact CG-CB 4.25Å; F324-K343 HydrophobicContact CZ-CB 3.46Å; F324-K343 VanDerWaalsContact CZ-CB 3.46Å; F324-K343 HydrophobicContact CZ-CD 3.94Å; F324-K343 HydrophobicContact CZ-CG 4.23Å; F324-K343 PolarHBondContact N-O 2.91Å; F324-K343 PolarHBondContact O-N 3.48Å; D328-K343 IonicContact OD1-NZ 4Å; T341-K343 WeakPolarHBondContact OG1-CE 2.91Å
344	L	95.4	Very high	74.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.9	176.9	-172.2	65.6	0	0	0	109.7	T48 R49 F51 W63 L84 L89 L321 A323 L347	T48-L344 CarbonylContact C-O 3.54Å; T48-L344 WeakPolarHBondContact CA-O 3.13Å; R49-L344 PolarHBondContact N-O 3.3Å; R49-L344 PolarHBondContact O-N 2.81Å; F51-L344 HydrophobicContact CE2-CB 4.04Å; W63-L344 HydrophobicContact CZ2-CD1 3.88Å; L84-L344 HydrophobicContact CD1-CD2 3.89Å; L89-L344 HydrophobicContact CG-CD2 4.39Å; L321-L344 HydrophobicContact CB-CD1 4.25Å; A323-L344 HydrophobicContact CB-CD1 4.18Å; L344-L347 HydrophobicContact CD2-CD1 4.26Å; L344-L347 HydrophobicContact CD2-CD2 3.81Å; L344-L347 HydrophobicContact CD2-CG 4.31Å; L344-L347 HydrophobicContact CG-CD2 4.27Å; L344-L347 HydrophobicContact CG-CG 4.4Å
345	F	95.4	Very high	76.2	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	155.9	176.1	172.2	-95.4	0	0	0	111.1	F42 I292 W302 V304 L321 L322 F324	F42-F345 AromaticContact CD1-CE1 3.69Å; F42-F345 HydrophobicContact CD1-CE1 3.69Å; F42-F345 HydrophobicContact CD1-CZ 4Å; F42-F345 AromaticContact CE1-CE1 3.92Å; F42-F345 HydrophobicContact CE1-CE1 3.92Å; F42-F345 HydrophobicContact CG-CE1 4.49Å; I292-F345 HydrophobicContact CD1-CD1 4.44Å; I292-F345 HydrophobicContact CD1-CE1 4.01Å; W302-F345 AromaticContact CD1-CZ 3.53Å; W302-F345 HydrophobicContact CG-CZ 4.4Å; W302-F345 AromaticContact NE1-CE2 3.96Å; W302-F345 AromaticContact NE1-CZ 3.56Å; V304-F345 HydrophobicContact CG1-CD2 3.84Å; V304-F345 HydrophobicContact CG1-CE2 4.24Å; V304-F345 HydrophobicContact CG1-CG 4.18Å; V304-F345 HydrophobicContact CG2-CD1 3.76Å; V304-F345 HydrophobicContact CG2-CD2 3.89Å; V304-F345 HydrophobicContact CG2-CE1 3.67Å; V304-F345 HydrophobicContact CG2-CE2 3.79Å; V304-F345 HydrophobicContact CG2-CG 3.88Å; V304-F345 HydrophobicContact CG2-CZ 3.69Å; L321-F345 WeakPolarHBondContact CA-O 3.18Å; L322-F345 HydrophobicContact CB-CB 4.43Å; L322-F345 HydrophobicContact CB-CD1 4.29Å; L322-F345 PolarHBondContact N-O 3.24Å; L322-F345 PolarHBondContact O-N 2.72Å; F324-F345 HydrophobicContact CD1-CB 4.48Å; F324-F345 HydrophobicContact CE1-CB 3.84Å
346	G	90.4	Very high	78.2	Confident	4 Å²	4	47.5 Å²	47.5	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.5	13.4	-178.9	0	0	0	0	0	114	H45 L321	H45-G346 PolarHBondContact CD2-O 3.39Å; H45-G346 CarbonylContact O-C 3.45Å; H45-G346 WeakPolarHBondContact O-CA 3.48Å; H45-G346 PolarHBondContact O-N 3.07Å; L321-G346 VanDerWaalsContact CD2-C 3.43Å; L321-G346 WeakPolarHBondContact CD2-O 3.45Å
347	L	86.6	Confident	80.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145.1	177.6	-59.5	179	0	0	0	111.1	H45 R49 D87 L321 L344 N349	H45-L347 CarbonylContact C-O 3.55Å; H45-L347 VanDerWaalsContact C-O 3.32Å; H45-L347 WeakPolarHBondContact CA-O 3.44Å; R49-L347 HydrophobicContact CB-CD1 3.98Å; R49-L347 HydrophobicContact CG-CD1 3.7Å; D87-L347 HydrophobicContact CB-CD2 3.52Å; D87-L347 HydrophobicContact CB-CG 4.49Å; D87-L347 WeakPolarHBondContact O-CD1 3.32Å; L321-L347 HydrophobicContact CD2-CD2 3.79Å; L344-L347 HydrophobicContact CD2-CD1 4.26Å; L344-L347 HydrophobicContact CD2-CD2 3.81Å; L344-L347 HydrophobicContact CD2-CG 4.31Å; L344-L347 HydrophobicContact CG-CD2 4.27Å; L344-L347 HydrophobicContact CG-CG 4.4Å; L347-N349 PolarHBondContact O-N 3.34Å
348	P	83.8	Confident	82.8	Confident	34 Å²	34	35.5 Å²	35.5	22%	0.221	21%	0.205	C	C	.	.			trans	-57.1	138.9	178.1	-19.4	29.1	0	0	0	111.5	D350 S351	P348-D350 PolarHBondContact O-N 2.83Å; P348-S351 WeakPolarHBondContact O-CB 3.23Å; P348-S351 PolarHBondContact O-N 3.05Å; P348-S351 PolarHBondContact O-OG 2.69Å
349	N	80.8	Confident	84.5	Confident	64 Å²	64	30.5 Å²	30.5	34%	0.342	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30	-179.9	-69.8	-14.4	0	0	0	112.7	R43 G44 S46 K47 L347 S351	R43-N349 PolarHBondContact O-ND2 3.33Å; G44-N349 PolarHBondContact O-N 3.38Å; G44-N349 PolarHBondContact O-ND2 2.98Å; G44-N349 PolarHBondContact O-OD1 2.78Å; S46-N349 PolarHBondContact N-OD1 2.81Å; S46-N349 VanDerWaalsContact N-OD1 3.09Å; S46-N349 PolarHBondContact OG-OD1 2.93Å; K47-N349 PolarHBondContact N-OD1 2.81Å; L347-N349 PolarHBondContact O-N 3.34Å; N349-S351 VanDerWaalsContact C-N 3.27Å; N349-S351 PolarHBondContact O-N 2.74Å
350	D	71.5	Confident	85.6	Confident	170 Å²	170	30.5 Å²	30.5	91%	0.909	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	5.7	-178.6	-61.5	-25.4	0	0	0	114.3	P348	P348-D350 PolarHBondContact O-N 2.83Å
351	S	58.1	Low	85.7	Confident	68 Å²	68	33.1 Å²	33.1	48%	0.476	19%	0.193	S	C	.	.			trans	-93.2	0	-173.9	68.9	0	0	0	0	116.7	K47 R49 P348 N349	K47-S351 PolarHBondContact NZ-O 3.25Å; R49-S351 PolarHBondContact NH2-O 2.57Å; R49-S351 PolarHBondContact NH2-OXT 3.42Å; P348-S351 WeakPolarHBondContact O-CB 3.23Å; P348-S351 PolarHBondContact O-N 3.05Å; P348-S351 PolarHBondContact O-OG 2.69Å; N349-S351 VanDerWaalsContact C-N 3.27Å; N349-S351 PolarHBondContact O-N 2.74Å

Retrieved 351 of 351 residues in 134.4 ms (Link to these results)

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