PTGDS_HUMAN Loading...

Prostaglandin-H2 D-isomerase

Catalyzes the conversion of PGH2 to PGD2, a prostaglandin involved in smooth muscle contraction/relaxation and a potent inhibitor of platelet aggregation¹. Involved in a variety of CNS functions, such as sedation, NREM sleep and PGE2-induced allodynia, and may have an anti-apoptotic role in oligodendrocytes. Binds small non-substrate lipophilic molecules, including biliverdin, bilirubin, retinal, retinoic acid and thyroid hormone, and may act as a scavenger for harmful hydrophobic molecules and as a secretory retinoid and thyroid hormone transporter. Possibly involved in development and maintenance of the blood-brain, blood-retina, blood-aqueous humor and blood-testis barrier. It is likely to play important roles in both maturation and maintenance of the central nervous system and male reproductive system^2,3. Involved in PLA2G3-dependent maturation of mast cells. PLA2G3 is secreted by immature mast cells and acts on nearby fibroblasts upstream to PTDGS to synthesize PGD2, which in turn promotes mast cell maturation and degranulation via PTGDR (By similarity).

AlphaFold DB , UniProt , Accession P41222, Species HUMAN (Homo sapiens, Human), Gene PTGDS, Length 190 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	44.1	Very low	46.8	Very low	244 Å²	244	151.5 Å²	151.5	100%	1.202	81%	0.813	S	S	*	*				0	127.3	0	-66	-178.9	-151.7	0	0	107.4
2	A	44.5	Very low	47.1	Very low	87 Å²	87	146.8 Å²	146.8	72%	0.719	81%	0.812	S	S	*	*			trans	51.1	107.9	171.2	0	0	0	0	0	117.9
3	T	45.4	Very low	47.4	Very low	116 Å²	116	147.3 Å²	147.3	71%	0.712	81%	0.811	S	S	*	*				57	131.5	64	75	0	0	0	0	112.2
4	H	50.6	Low	47.7	Very low	154 Å²	154	148.1 Å²	148.1	71%	0.713	81%	0.812	S	S	*	*			cis	-154.1	135.3	29	-88.1	-83.3	0	0	0	108.6
5	H	47.3	Very low	47.8	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.736	81%	0.812	S	S	*	*				57.6	115.4	92.7	-77.2	-68.2	0	0	0	117.7
6	T	53.7	Low	48.4	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	81%	0.814	S	S	*	*			trans	149	103.3	133.2	36.2	0	0	0	0	108.5
7	L	44.8	Very low	48.6	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	82%	0.819	S	S	*	*				79	92.8	55.3	-150	132.4	0	0	0	114.2
8	W	49.6	Very low	48.7	Very low	224 Å²	224	140.1 Å²	140.1	85%	0.848	81%	0.807	S	S	*	*			trans	78.9	150.7	130.9	-112.2	9	0	0	0	123.7
9	M	43.5	Very low	48.7	Very low	163 Å²	163	140.7 Å²	140.7	80%	0.803	81%	0.807	S	S	*	*			trans	77.5	105.4	172.5	-48	-58.8	-106.2	0	0	114.4
10	G	41.7	Very low	48.7	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	81%	0.812	S	S	*	*			cis	97.7	89.2	32.6	0	0	0	0	0	109.2
11	L	49.5	Very low	48.4	Very low	158 Å²	158	144.1 Å²	144.1	83%	0.827	81%	0.814	S	S	*	*			trans	-149.2	99.7	164.5	-122.3	117.2	0	0	0	109.7	L13	L11-L13 HydrophobicContact CD2-CD1 3.64Å; L11-L13 HydrophobicContact CD2-CG 4.16Å
12	A	50.7	Low	48.2	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	79%	0.793	S	S	*	*			trans	-91.9	111.3	164.9	0	0	0	0	0	107.5
13	L	51.2	Low	48.1	Very low	153 Å²	153	136.8 Å²	136.8	80%	0.801	79%	0.792	S	S	*	*			trans	-107.8	98.4	166.9	-92.3	158.1	0	0	0	107.3	L11	L11-L13 HydrophobicContact CD2-CD1 3.64Å; L11-L13 HydrophobicContact CD2-CG 4.16Å
14	L	51.8	Low	47.9	Very low	159 Å²	159	137.3 Å²	137.3	83%	0.832	80%	0.797	S	S	*	*			trans	-64.6	131.3	170.9	-82	148.9	0	0	0	109.6
15	G	48	Very low	47.8	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	79%	0.792	S	S	*	*			trans	-64.5	134.2	-179.5	0	0	0	0	0	112.7
16	V	57.5	Low	48.2	Very low	140 Å²	140	130.6 Å²	130.6	85%	0.848	77%	0.773	S	S	*	*			trans	-103.5	93	162.6	179.9	0	0	0	0	106.1	G18	V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.87Å
17	L	53	Low	48.9	Very low	171 Å²	171	133.1 Å²	133.1	90%	0.895	78%	0.775	S	S	*	*			trans	-74.9	95.3	159.5	-79.7	162.4	0	0	0	105.9	D19	L17-D19 PolarHBondContact O-N 3.47Å
18	G	49.5	Very low	50.6	Low	59 Å²	59	127.1 Å²	127.1	61%	0.608	74%	0.744	S	S	*	*			trans	-72.6	105.9	169.7	0	0	0	0	0	108.9	V16 L20	V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.87Å; G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 3.47Å
19	D	49.6	Very low	52.7	Low	151 Å²	151	120.4 Å²	120.4	81%	0.807	73%	0.732	S	S	*	*			trans	-59.7	94.1	159.8	-76.8	-51	0	0	0	108.2	L17 Q21	L17-D19 PolarHBondContact O-N 3.47Å; D19-Q21 PolarHBondContact O-N 3.48Å
20	L	48.1	Very low	55.2	Low	173 Å²	173	114.4 Å²	114.4	91%	0.906	70%	0.704	S	S	*	*			trans	-70.1	83.1	161.8	-95	146.9	0	0	0	106.8	G18 A22	G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 3.47Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.32Å
21	Q	42.2	Very low	57.8	Low	181 Å²	181	112.7 Å²	112.7	85%	0.846	68%	0.677	S	S	*	*			trans	-58.2	99.8	160.4	-74.6	178.1	-74.3	0	0	106.9	D19 A23	D19-Q21 PolarHBondContact O-N 3.48Å; Q21-A23 PolarHBondContact O-N 3.3Å
22	A	40.5	Very low	60.1	Low	92 Å²	92	109.7 Å²	109.7	76%	0.76	67%	0.667	S	S	*	*			trans	-51.6	123.4	164.6	0	0	0	0	0	107.3	L20	L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.32Å
23	A	41.8	Very low	62.3	Low	84 Å²	84	111.9 Å²	111.9	69%	0.694	67%	0.665	S	S	*	*			trans	-52.4	135.2	174	0	0	0	0	0	108.1	Q21 E25	Q21-A23 PolarHBondContact O-N 3.3Å; A23-E25 PolarHBondContact O-N 3.49Å
24	P	40.6	Very low	64.5	Low	127 Å²	127	105.1 Å²	105.1	83%	0.825	63%	0.629	S	S	*	*			trans	-62.6	107.9	177.4	15	-13.8	0	0	0	107.2	A26	P24-A26 PolarHBondContact O-N 3.27Å
25	E	49.8	Very low	66.7	Low	132 Å²	132	101.1 Å²	101.1	62%	0.617	61%	0.606	S	S	*	*			trans	-50.2	126.7	164.7	-72.3	-176.2	149.4	0	0	106.1	A23 Q27	A23-E25 PolarHBondContact O-N 3.49Å; E25-Q27 VanDerWaalsContact C-N 3.25Å; E25-Q27 PolarHBondContact O-N 3.39Å
26	A	55.4	Low	69.1	Low	40 Å²	40	100 Å²	100	33%	0.331	58%	0.58	S	S	.	*			trans	-60.8	94	178.1	0	0	0	0	0	108	P24 V28	P24-A26 PolarHBondContact O-N 3.27Å; A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.24Å
27	Q	67.6	Low	71	Confident	194 Å²	194	98.6 Å²	98.6	91%	0.907	57%	0.568	S	S	*	*			trans	-76.7	91.3	-172.3	-160.4	174.9	8.5	0	0	107.6	E25	E25-Q27 VanDerWaalsContact C-N 3.25Å; E25-Q27 PolarHBondContact O-N 3.39Å
28	V	82.1	Confident	73.2	Confident	21 Å²	21	95.4 Å²	95.4	13%	0.127	55%	0.547	C	S	.	.			trans	-69.5	136.3	175.9	74.2	0	0	0	0	109.3	A26 V121 Y132 F166	A26-V28 VanDerWaalsContact C-N 3.33Å; A26-V28 PolarHBondContact O-N 3.24Å; V28-V121 HydrophobicContact CG1-CG2 4.41Å; V28-V121 HydrophobicContact CG2-CB 4.38Å; V28-V121 HydrophobicContact CG2-CG1 4Å; V28-V121 HydrophobicContact CG2-CG2 3.45Å; V28-V121 VanDerWaalsContact CG2-CG2 3.45Å; V28-Y132 HydrophobicContact CB-CD1 4Å; V28-Y132 HydrophobicContact CB-CG 4.26Å; V28-Y132 HydrophobicContact CG1-CD1 3.85Å; V28-Y132 HydrophobicContact CG1-CG 4.25Å; V28-Y132 HydrophobicContact CG2-CD1 4.35Å; V28-Y132 HydrophobicContact CG2-CG 4.1Å; V28-F166 HydrophobicContact CG2-CE2 4.44Å; V28-F166 HydrophobicContact CG2-CZ 4.49Å
29	S	92	Very high	75.5	Confident	83 Å²	83	92.9 Å²	92.9	58%	0.58	52%	0.519	S	S	*	.			trans	-64.7	154.8	171.9	57.1	0	0	0	0	110.8	V121	S29-V121 WeakPolarHBondContact O-CA 3.46Å; S29-V121 WeakPolarHBondContact O-CG1 3.39Å
30	V	95.9	Very high	77.8	Confident	38 Å²	38	88 Å²	88	23%	0.23	49%	0.493	C	S	.	.			trans	-114.1	148.9	175.4	-174.2	0	0	0	0	108.3	P32 L102 S104 V120 V121	V30-P32 VanDerWaalsContact O-CD 3.26Å; V30-P32 WeakPolarHBondContact O-CD 3.37Å; V30-P32 VanDerWaalsContact O-N 3.12Å; V30-L102 WeakPolarHBondContact CG1-O 3.45Å; V30-S104 VanDerWaalsContact CG2-OG 3.3Å; V30-S104 WeakPolarHBondContact CG2-OG 3.2Å; V30-V120 WeakPolarHBondContact CG1-O 3.09Å; V30-V121 CarbonylContact C-O 3.59Å
31	Q	97.7	Very high	80.2	Confident	37 Å²	37	81.2 Å²	81.2	17%	0.173	46%	0.464	C	S	.	.			trans	-50.6	117.7	178.8	172.1	60.4	51.6	0	0	110.3	N33 F34 V120 V121 T123	Q31-N33 PolarHBondContact O-N 3.03Å; Q31-F34 HydrophobicContact CB-CB 4.32Å; Q31-F34 HydrophobicContact CB-CD2 4.16Å; Q31-F34 HydrophobicContact CG-CB 4.37Å; Q31-F34 HydrophobicContact CG-CD2 4.22Å; Q31-F34 PolarHBondContact O-N 3.31Å; Q31-V120 PolarHBondContact N-O 2.88Å; Q31-V121 WeakPolarHBondContact CA-O 3.22Å; Q31-V121 PolarHBondContact N-O 3.12Å; Q31-T123 HydrophobicContact CB-CG2 4.44Å; Q31-T123 HydrophobicContact CG-CG2 3.98Å; Q31-T123 PolarHBondContact OE1-O 3.43Å
32	P	96.8	Very high	82.9	Confident	94 Å²	94	79.4 Å²	79.4	61%	0.61	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	136	175.7	-25.8	35	0	0	0	111.1	V30 F34	V30-P32 VanDerWaalsContact O-CD 3.26Å; V30-P32 WeakPolarHBondContact O-CD 3.37Å; V30-P32 VanDerWaalsContact O-N 3.12Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.68Å
33	N	96.5	Very high	85.6	Confident	143 Å²	143	75 Å²	75	77%	0.765	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.8	-179.4	-57.5	-38.5	0	0	0	113	Q31 Q35 Y125	Q31-N33 PolarHBondContact O-N 3.03Å; N33-Q35 PolarHBondContact O-N 3.3Å; N33-Y125 PolarHBondContact O-OH 3.19Å
34	F	98.2	Very high	88.3	Confident	10 Å²	10	71.5 Å²	71.5	4%	0.044	38%	0.382	C	S	.	.			trans	-54.8	124.3	179.7	179.1	-101	0	0	0	112	Q31 P32 Q36 F39 L102 G103 Y105 V120 T123 Y125	Q31-F34 HydrophobicContact CB-CB 4.32Å; Q31-F34 HydrophobicContact CB-CD2 4.16Å; Q31-F34 HydrophobicContact CG-CB 4.37Å; Q31-F34 HydrophobicContact CG-CD2 4.22Å; Q31-F34 PolarHBondContact O-N 3.31Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.68Å; F34-Q36 HydrophobicContact CD1-CB 4.46Å; F34-Q36 HydrophobicContact CE1-CB 3.81Å; F34-Q36 HydrophobicContact CE1-CG 4.36Å; F34-F39 HydrophobicContact CE2-CB 3.88Å; F34-F39 HydrophobicContact CE2-CD1 4.43Å; F34-F39 HydrophobicContact CE2-CD2 4.17Å; F34-F39 AromaticContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CZ-CB 3.61Å; F34-F39 AromaticContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD2 4.44Å; F34-F39 AromaticContact CZ-CG 3.73Å; F34-F39 HydrophobicContact CZ-CG 3.73Å; F34-L102 HydrophobicContact CB-CB 4.33Å; F34-G103 VanDerWaalsContact CD1-CA 3.42Å; F34-G103 VanDerWaalsContact CD1-N 3.34Å; F34-Y105 VanDerWaalsContact CE1-OH 3.27Å; F34-Y105 WeakPolarHBondContact CE1-OH 3.46Å; F34-V120 HydrophobicContact CD2-CB 4.24Å; F34-V120 HydrophobicContact CD2-CG1 4.16Å; F34-V120 HydrophobicContact CE2-CB 3.94Å; F34-V120 HydrophobicContact CE2-CG1 3.81Å; F34-V120 HydrophobicContact CE2-CG2 3.95Å; F34-V120 HydrophobicContact CZ-CG2 4.14Å; F34-T123 HydrophobicContact CD2-CG2 4.35Å; F34-T123 HydrophobicContact CE2-CG2 4.29Å; F34-Y125 WeakPolarHBondContact CA-OH 3.33Å; F34-Y125 HydrophobicContact CD2-CE1 4.23Å; F34-Y125 HydrophobicContact CE2-CE1 4.25Å
35	Q	98.2	Very high	90.9	Very high	75 Å²	75	65.9 Å²	65.9	35%	0.35	35%	0.346	S	S	.	.			trans	-105.4	98.6	178.5	-79.6	161.9	82.7	0	0	109.7	N33 D37 K38 F39 Y125	N33-Q35 PolarHBondContact O-N 3.3Å; Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.37Å; Q35-D37 PolarHBondContact O-N 2.98Å; Q35-K38 HydrophobicContact CB-CB 4.18Å; Q35-K38 HydrophobicContact CB-CD 4.04Å; Q35-K38 HydrophobicContact CB-CG 4.13Å; Q35-K38 PolarHBondContact O-N 2.84Å; Q35-F39 PolarHBondContact O-N 2.89Å; Q35-Y125 HydrophobicContact CB-CE1 4.1Å; Q35-Y125 PolarHBondContact N-OH 3.39Å; Q35-Y125 WeakPolarHBondContact O-CE1 3.39Å
36	Q	97.9	Very high	93.1	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-37.4	-175.5	-177.6	167.4	-72.4	0	0	112.6	F34 K38 F39 L40 G75 L77 Y105	F34-Q36 HydrophobicContact CD1-CB 4.46Å; F34-Q36 HydrophobicContact CE1-CB 3.81Å; F34-Q36 HydrophobicContact CE1-CG 4.36Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 2.84Å; Q36-F39 WeakPolarHBondContact O-CB 3.47Å; Q36-F39 PolarHBondContact O-N 3.49Å; Q36-F39 VanDerWaalsContact O-N 3.17Å; Q36-L40 WeakPolarHBondContact O-CG 3.33Å; Q36-L40 PolarHBondContact O-N 3.44Å; Q36-G75 PolarHBondContact NE2-O 2.84Å; Q36-L77 HydrophobicContact CG-CD2 3.77Å; Q36-L77 HydrophobicContact CG-CG 4.4Å; Q36-Y105 PolarHBondContact OE1-OH 3.03Å
37	D	97.9	Very high	95.1	Very high	109 Å²	109	58 Å²	58	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-40.2	178	61.3	-52.1	0	0	0	112.6	Q35 F39 L40	Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.37Å; Q35-D37 PolarHBondContact O-N 2.98Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; D37-L40 WeakPolarHBondContact O-CG 3.38Å; D37-L40 PolarHBondContact O-N 3.17Å
38	K	98.5	Very high	96.4	Very high	104 Å²	104	49 Å²	49	45%	0.452	26%	0.261	S	S	.	.	H	α-helix	trans	-73.3	-23.2	176.6	-67.3	-175.7	174.1	169.5	0	113.2	Q35 Q36 L40 Y125 R151	Q35-K38 HydrophobicContact CB-CB 4.18Å; Q35-K38 HydrophobicContact CB-CD 4.04Å; Q35-K38 HydrophobicContact CB-CG 4.13Å; Q35-K38 PolarHBondContact O-N 2.84Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 2.84Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-Y125 HydrophobicContact CB-CD1 3.45Å; K38-Y125 VanDerWaalsContact CB-CD1 3.45Å; K38-Y125 HydrophobicContact CB-CD2 4.32Å; K38-Y125 HydrophobicContact CB-CE1 4.01Å; K38-Y125 HydrophobicContact CB-CG 3.63Å; K38-Y125 HydrophobicContact CD-CD2 4.29Å; K38-Y125 HydrophobicContact CD-CG 4.4Å; K38-R151 PolarHBondContact O-NH2 3.12Å; K38-R151 VanDerWaalsContact O-NH2 3.12Å
39	F	98.6	Very high	97.1	Very high	6 Å²	6	48 Å²	48	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-79.4	-13.6	179.1	-169.2	-112.5	0	0	0	113.4	F34 Q35 Q36 D37 W43 V69 L77 V120 Y125 A129 L131	F34-F39 HydrophobicContact CE2-CB 3.88Å; F34-F39 HydrophobicContact CE2-CD1 4.43Å; F34-F39 HydrophobicContact CE2-CD2 4.17Å; F34-F39 AromaticContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CE2-CG 3.9Å; F34-F39 HydrophobicContact CZ-CB 3.61Å; F34-F39 AromaticContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD1 3.93Å; F34-F39 HydrophobicContact CZ-CD2 4.44Å; F34-F39 AromaticContact CZ-CG 3.73Å; F34-F39 HydrophobicContact CZ-CG 3.73Å; Q35-F39 PolarHBondContact O-N 2.89Å; Q36-F39 WeakPolarHBondContact O-CB 3.47Å; Q36-F39 PolarHBondContact O-N 3.49Å; Q36-F39 VanDerWaalsContact O-N 3.17Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; F39-W43 AromaticContact CD2-CZ2 3.66Å; F39-W43 HydrophobicContact CD2-CZ2 3.66Å; F39-W43 AromaticContact CE2-CE2 3.85Å; F39-W43 HydrophobicContact CE2-CH2 4.42Å; F39-W43 AromaticContact CE2-CZ2 3.64Å; F39-W43 HydrophobicContact CE2-CZ2 3.64Å; F39-W43 PolarHBondContact O-NE1 2.95Å; F39-V69 HydrophobicContact CD1-CG1 4.01Å; F39-V69 HydrophobicContact CE1-CG1 4.22Å; F39-V69 HydrophobicContact CE1-CG2 4.2Å; F39-L77 HydrophobicContact CD1-CD1 4Å; F39-L77 HydrophobicContact CE1-CD1 4.27Å; F39-V120 HydrophobicContact CE1-CG2 4.17Å; F39-V120 HydrophobicContact CE2-CG1 4.36Å; F39-V120 HydrophobicContact CE2-CG2 4.48Å; F39-V120 HydrophobicContact CZ-CG2 4.1Å; F39-Y125 HydrophobicContact CB-CD1 4.35Å; F39-A129 HydrophobicContact CE2-CB 3.57Å; F39-A129 HydrophobicContact CZ-CB 4.31Å; F39-L131 HydrophobicContact CZ-CD1 4.29Å
40	L	98.4	Very high	97.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	23%	0.228	S	C	.	.			trans	-64.7	168.6	-178.4	-56.7	-178.3	0	0	0	113.2	Q36 D37 K38 V69 L77 R151	Q36-L40 WeakPolarHBondContact O-CG 3.33Å; Q36-L40 PolarHBondContact O-N 3.44Å; D37-L40 WeakPolarHBondContact O-CG 3.38Å; D37-L40 PolarHBondContact O-N 3.17Å; K38-L40 VanDerWaalsContact C-N 3.31Å; L40-V69 HydrophobicContact CD2-CG1 4.05Å; L40-L77 HydrophobicContact CD2-CD2 3.63Å; L40-R151 PolarHBondContact O-NH1 2.94Å; L40-R151 PolarHBondContact O-NH2 3.25Å
41	G	97.9	Very high	97.3	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.4	-154.6	172.7	0	0	0	0	0	113.7	V69	G41-V69 PolarHBondContact N-O 2.99Å; G41-V69 PolarHBondContact O-N 2.97Å
42	R	97.9	Very high	96.9	Very high	143 Å²	143	45.2 Å²	45.2	54%	0.54	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.4	-171.1	-175.5	173.7	63.5	-159.4	-1.9	112.2	F44 K66 S67 R151	R42-F44 HydrophobicContact CG-CE2 4.44Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; R42-K66 HydrophobicContact CG-CB 4.32Å; R42-S67 CarbonylContact C-O 3.6Å; R42-S67 WeakPolarHBondContact CA-O 3.48Å; R42-R151 VanDerWaalsContact O-CD 3.22Å; R42-R151 WeakPolarHBondContact O-CD 3.16Å; R42-R151 PolarHBondContact O-NH1 3.22Å
43	W	98.5	Very high	96.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.5	173	-69.3	99.2	0	0	0	110.4	F39 S67 Y125 A129 Y149 S150 R151	F39-W43 AromaticContact CD2-CZ2 3.66Å; F39-W43 HydrophobicContact CD2-CZ2 3.66Å; F39-W43 AromaticContact CE2-CE2 3.85Å; F39-W43 HydrophobicContact CE2-CH2 4.42Å; F39-W43 AromaticContact CE2-CZ2 3.64Å; F39-W43 HydrophobicContact CE2-CZ2 3.64Å; F39-W43 PolarHBondContact O-NE1 2.95Å; W43-S67 PolarHBondContact N-O 2.94Å; W43-S67 PolarHBondContact O-N 2.76Å; W43-S67 VanDerWaalsContact O-O 3.11Å; W43-Y125 WeakPolarHBondContact CH2-O 3.35Å; W43-A129 HydrophobicContact CH2-CB 4.09Å; W43-A129 HydrophobicContact CZ2-CB 4.48Å; W43-A129 HydrophobicContact CZ3-CB 4.31Å; W43-Y149 HydrophobicContact CB-CD1 3.58Å; W43-Y149 HydrophobicContact CB-CE1 4.07Å; W43-Y149 HydrophobicContact CB-CG 3.99Å; W43-Y149 HydrophobicContact CG-CD1 4.41Å; W43-Y149 HydrophobicContact CG-CG 4.36Å; W43-S150 CarbonylContact C-O 3.54Å; W43-R151 HydrophobicContact CE3-CG 4.01Å; W43-R151 HydrophobicContact CH2-CG 4.04Å; W43-R151 VanDerWaalsContact CZ2-NE 3.26Å; W43-R151 HydrophobicContact CZ3-CG 3.66Å
44	F	97.3	Very high	96.1	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.3	174.9	-62.8	-74.9	0	0	0	109.4	R42 A46 C65 K66 Y149 S150 R151 Q153 M187	R42-F44 HydrophobicContact CG-CE2 4.44Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; F44-A46 PolarHBondContact O-N 2.9Å; F44-C65 WeakPolarHBondContact CD1-O 3.47Å; F44-C65 VanDerWaalsContact CE1-O 3.22Å; F44-C65 WeakPolarHBondContact CE1-O 3.41Å; F44-K66 HydrophobicContact CE1-CB 4.33Å; F44-Y149 WeakPolarHBondContact O-CA 3.48Å; F44-Y149 WeakPolarHBondContact O-CD1 3.41Å; F44-S150 WeakPolarHBondContact CB-O 3.48Å; F44-S150 WeakPolarHBondContact CD2-O 3.42Å; F44-S150 PolarHBondContact N-O 3Å; F44-S150 PolarHBondContact O-N 2.65Å; F44-R151 WeakPolarHBondContact CD2-O 3.5Å; F44-R151 VanDerWaalsContact CE2-O 3.25Å; F44-R151 WeakPolarHBondContact CE2-O 3.13Å; F44-Q153 HydrophobicContact CD1-CB 4.41Å; F44-Q153 HydrophobicContact CD1-CG 3.29Å; F44-Q153 HydrophobicContact CD2-CG 4.1Å; F44-Q153 HydrophobicContact CE1-CG 3.32Å; F44-Q153 HydrophobicContact CE2-CG 4.09Å; F44-Q153 HydrophobicContact CG-CB 4.43Å; F44-Q153 HydrophobicContact CG-CG 3.7Å; F44-Q153 HydrophobicContact CZ-CG 3.72Å; F44-M187 HydrophobicContact CE1-CE 3.83Å; F44-M187 HydrophobicContact CE1-SD 3.98Å
45	S	96.2	Very high	95.5	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	97.2	174.4	-61.4	0	0	0	0	108.8	Y149 Q182	S45-Y149 WeakPolarHBondContact OG-CE1 3.26Å; S45-Q182 PolarHBondContact O-NE2 2.81Å
46	A	96.3	Very high	95	Very high	5 Å²	5	42 Å²	42	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-30.9	-172.4	0	0	0	0	0	113.2	F44 L148 P155 F179 L180	F44-A46 PolarHBondContact O-N 2.9Å; A46-L148 HydrophobicContact CB-CD2 4.11Å; A46-L148 HydrophobicContact CB-CG 4.28Å; A46-L148 PolarHBondContact N-O 2.99Å; A46-P155 HydrophobicContact CB-CG 3.67Å; A46-F179 WeakPolarHBondContact O-CA 3.22Å; A46-L180 PolarHBondContact O-N 2.83Å
47	G	96.1	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.5	-178.2	0	0	0	0	0	112.5	T147 L148 V178	G47-T147 WeakPolarHBondContact O-CA 3.39Å; G47-L148 PolarHBondContact N-O 3.28Å; G47-L148 PolarHBondContact O-N 3.19Å; G47-V178 CarbonylContact C-O 3.58Å; G47-V178 WeakPolarHBondContact CA-O 3.48Å
48	L	96.6	Very high	94	Very high	6 Å²	6	46 Å²	46	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.5	178.4	180	145.1	0	0	0	109.9	R56 K59 M145 A146 V178 L180	L48-R56 HydrophobicContact CD2-CG 4.23Å; L48-K59 HydrophobicContact CD1-CD 4.41Å; L48-K59 HydrophobicContact CD1-CG 3.99Å; L48-M145 HydrophobicContact CD1-CG 4.31Å; L48-M145 HydrophobicContact CD1-SD 3.73Å; L48-M145 HydrophobicContact CG-CG 4.23Å; L48-M145 HydrophobicContact CG-SD 4.3Å; L48-A146 CarbonylContact C-O 3.57Å; L48-A146 WeakPolarHBondContact CA-O 3.29Å; L48-V178 HydrophobicContact CB-CG2 4.12Å; L48-V178 HydrophobicContact CD2-CG2 4.07Å; L48-V178 PolarHBondContact N-O 2.91Å; L48-V178 VanDerWaalsContact O-CG2 3.3Å; L48-V178 WeakPolarHBondContact O-CG2 3.14Å; L48-V178 PolarHBondContact O-N 2.96Å; L48-L180 HydrophobicContact CB-CD1 4.22Å; L48-L180 HydrophobicContact CB-CD2 4.33Å; L48-L180 HydrophobicContact CB-CG 4.38Å
49	A	96.5	Very high	93.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.7	162.4	0	0	0	0	0	108.6	M145 A146 F163 C167 F172 T176 I177	A49-M145 CarbonylContact O-C 3.53Å; A49-M145 WeakPolarHBondContact O-CA 3.43Å; A49-M145 WeakPolarHBondContact O-CG 3.25Å; A49-A146 HydrophobicContact CB-CB 4.28Å; A49-A146 PolarHBondContact N-O 2.7Å; A49-A146 PolarHBondContact O-N 2.88Å; A49-F163 HydrophobicContact CB-CZ 4.45Å; A49-C167 HydrophobicContact CB-CB 4.23Å; A49-F172 HydrophobicContact CB-CB 4.13Å; A49-F172 HydrophobicContact CB-CD1 4.09Å; A49-F172 HydrophobicContact CB-CD2 4.02Å; A49-F172 HydrophobicContact CB-CE2 4.45Å; A49-F172 HydrophobicContact CB-CG 3.82Å; A49-T176 VanDerWaalsContact CA-O 3.28Å; A49-T176 WeakPolarHBondContact CA-O 3.43Å; A49-I177 HydrophobicContact CB-CB 4.48Å; A49-I177 HydrophobicContact CB-CG1 3.97Å
50	S	96.2	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.1	178.1	-179.1	0	0	0	0	111	S52 R56 F143 R144	S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 VanDerWaalsContact OG-N 3.12Å; S50-R56 WeakPolarHBondContact O-CD 3.4Å; S50-R56 PolarHBondContact O-NH1 3.12Å; S50-F143 WeakPolarHBondContact OG-CE2 3.38Å; S50-R144 VanDerWaalsContact CA-O 3.26Å; S50-R144 WeakPolarHBondContact CA-O 3.37Å; S50-R144 WeakPolarHBondContact CB-O 3.37Å; S50-R144 PolarHBondContact OG-O 3.48Å
51	N	94.4	Very high	91.6	Very high	67 Å²	67	47.5 Å²	47.5	36%	0.358	25%	0.253	S	S	.	.	S	Bend	trans	-77	-11.2	170.6	65.2	-16.5	0	0	0	113.3	S53 D142 R144	N51-S53 PolarHBondContact O-N 3.45Å; N51-D142 PolarHBondContact ND2-O 2.84Å; N51-R144 PolarHBondContact N-O 2.88Å; N51-R144 PolarHBondContact OD1-N 2.94Å; N51-R144 PolarHBondContact OD1-O 2.88Å
52	S	91.1	Very high	91	Very high	32 Å²	32	47 Å²	47	22%	0.224	24%	0.244	C	C	.	.			trans	-84.5	108.5	174.3	179.1	0	0	0	0	111	S50 W54 L55 R56	S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact OG-N 3.21Å; S50-S52 VanDerWaalsContact OG-N 3.12Å; S52-W54 VanDerWaalsContact C-N 3.28Å; S52-W54 PolarHBondContact O-N 3.32Å; S52-L55 PolarHBondContact O-N 3.36Å; S52-L55 PolarHBondContact OG-N 2.74Å; S52-R56 WeakPolarHBondContact O-CG 3.45Å; S52-R56 PolarHBondContact O-N 2.84Å; S52-R56 VanDerWaalsContact O-N 3.15Å
53	S	87.8	Confident	90.5	Very high	66 Å²	66	42 Å²	42	46%	0.462	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-43.9	172.9	51.6	0	0	0	0	111.6	N51 L55 R56 E57	N51-S53 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 2.84Å; S53-R56 PolarHBondContact O-N 2.79Å; S53-R56 VanDerWaalsContact O-N 3.16Å; S53-E57 WeakPolarHBondContact O-CG 3.26Å; S53-E57 PolarHBondContact O-N 3.28Å
54	W	88.6	Confident	90.1	Very high	119 Å²	119	42 Å²	42	45%	0.451	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-45.9	175.6	178	90.1	0	0	0	112.2	S52 K58 W112	S52-W54 VanDerWaalsContact C-N 3.28Å; S52-W54 PolarHBondContact O-N 3.32Å; W54-K58 HydrophobicContact CD2-CG 4.05Å; W54-K58 HydrophobicContact CE3-CG 4.47Å; W54-K58 HydrophobicContact CH2-CG 4.33Å; W54-K58 HydrophobicContact CZ2-CG 3.92Å; W54-K58 WeakPolarHBondContact O-CB 3.43Å; W54-K58 VanDerWaalsContact O-CG 3.24Å; W54-K58 WeakPolarHBondContact O-CG 3.33Å; W54-K58 PolarHBondContact O-N 2.89Å; W54-W112 AromaticContact CH2-CH2 3.81Å; W54-W112 HydrophobicContact CH2-CH2 3.81Å; W54-W112 AromaticContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CZ2-CH2 4.2Å; W54-W112 HydrophobicContact CZ2-CZ2 4.32Å; W54-W112 HydrophobicContact CZ3-CH2 4.03Å; W54-W112 AromaticContact CZ3-CZ2 3.7Å; W54-W112 HydrophobicContact CZ3-CZ2 3.7Å
55	L	85.3	Confident	89.8	Confident	25 Å²	25	41.6 Å²	41.6	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-42.2	179.6	-175	66	0	0	0	111.6	S52 S53 K58 K59 F143 M145	S52-L55 PolarHBondContact O-N 3.36Å; S52-L55 PolarHBondContact OG-N 2.74Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 2.84Å; L55-K58 PolarHBondContact O-N 3.17Å; L55-K59 HydrophobicContact CD1-CG 4.02Å; L55-K59 HydrophobicContact CG-CG 4.21Å; L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 VanDerWaalsContact O-CG 3.26Å; L55-K59 WeakPolarHBondContact O-CG 3.41Å; L55-K59 PolarHBondContact O-N 2.91Å; L55-F143 HydrophobicContact CD2-CE2 3.53Å; L55-F143 HydrophobicContact CD2-CZ 3.56Å; L55-M145 HydrophobicContact CD2-SD 3.71Å
56	R	87.4	Confident	89.7	Confident	46 Å²	46	42.4 Å²	42.4	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-48.4	177.8	-64.8	-166.1	-53.4	-84.3	3.2	111.2	L48 S50 S52 S53 K59 A60 T176	L48-R56 HydrophobicContact CD2-CG 4.23Å; S50-R56 WeakPolarHBondContact O-CD 3.4Å; S50-R56 PolarHBondContact O-NH1 3.12Å; S52-R56 WeakPolarHBondContact O-CG 3.45Å; S52-R56 PolarHBondContact O-N 2.84Å; S52-R56 VanDerWaalsContact O-N 3.15Å; S53-R56 PolarHBondContact O-N 2.79Å; S53-R56 VanDerWaalsContact O-N 3.16Å; R56-K59 PolarHBondContact O-N 3.48Å; R56-A60 WeakPolarHBondContact O-CB 3.14Å; R56-A60 PolarHBondContact O-N 2.75Å; R56-T176 VanDerWaalsContact CD-O 3.26Å; R56-T176 WeakPolarHBondContact CD-O 3.27Å
57	E	86.6	Confident	89.7	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-62.2	-44.3	177.5	-71.7	173.1	-164.4	0	0	112.3	S53 A60 A61	S53-E57 WeakPolarHBondContact O-CG 3.26Å; S53-E57 PolarHBondContact O-N 3.28Å; E57-A60 PolarHBondContact O-N 3.04Å; E57-A61 PolarHBondContact O-N 3.02Å
58	K	87.1	Confident	89.8	Confident	113 Å²	113	44.5 Å²	44.5	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-45.2	177.5	-71.3	-59.3	176.6	-157.2	0	111.6	W54 L55 A61 L62	W54-K58 HydrophobicContact CD2-CG 4.05Å; W54-K58 HydrophobicContact CE3-CG 4.47Å; W54-K58 HydrophobicContact CH2-CG 4.33Å; W54-K58 HydrophobicContact CZ2-CG 3.92Å; W54-K58 WeakPolarHBondContact O-CB 3.43Å; W54-K58 VanDerWaalsContact O-CG 3.24Å; W54-K58 WeakPolarHBondContact O-CG 3.33Å; W54-K58 PolarHBondContact O-N 2.89Å; L55-K58 PolarHBondContact O-N 3.17Å; K58-A61 PolarHBondContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CG 3.48Å
59	K	81.1	Confident	89.9	Confident	52 Å²	52	44.5 Å²	44.5	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-35.4	-178.4	-71.7	-75.9	-174.4	175.5	0	112.4	L48 L55 R56 A61 L62 L180	L48-K59 HydrophobicContact CD1-CD 4.41Å; L48-K59 HydrophobicContact CD1-CG 3.99Å; L55-K59 HydrophobicContact CD1-CG 4.02Å; L55-K59 HydrophobicContact CG-CG 4.21Å; L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 VanDerWaalsContact O-CG 3.26Å; L55-K59 WeakPolarHBondContact O-CG 3.41Å; L55-K59 PolarHBondContact O-N 2.91Å; R56-K59 PolarHBondContact O-N 3.48Å; K59-A61 PolarHBondContact O-N 3.27Å; K59-L62 HydrophobicContact CD-CD1 4.4Å; K59-L62 PolarHBondContact O-N 2.89Å; K59-L62 VanDerWaalsContact O-N 3.14Å; K59-L180 HydrophobicContact CB-CD2 3.98Å
60	A	80.8	Confident	90	Very high	58 Å²	58	46.3 Å²	46.3	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-28.2	174.3	0	0	0	0	0	112.9	R56 E57 L62	R56-A60 WeakPolarHBondContact O-CB 3.14Å; R56-A60 PolarHBondContact O-N 2.75Å; E57-A60 PolarHBondContact O-N 3.04Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.36Å
61	A	83.8	Confident	90.1	Very high	80 Å²	80	50.2 Å²	50.2	66%	0.661	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.7	176.4	0	0	0	0	0	114.4	E57 K58 K59	E57-A61 PolarHBondContact O-N 3.02Å; K58-A61 PolarHBondContact O-N 3.14Å; K59-A61 PolarHBondContact O-N 3.27Å
62	L	85.4	Confident	90.2	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	27%	0.272	C	S	.	.	S	Bend	trans	-109.7	141	178.2	-54.1	175.7	0	0	0	109.4	K58 K59 A60 F83 R85 P181	K58-L62 WeakPolarHBondContact O-CG 3.48Å; K59-L62 HydrophobicContact CD-CD1 4.4Å; K59-L62 PolarHBondContact O-N 2.89Å; K59-L62 VanDerWaalsContact O-N 3.14Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.36Å; L62-F83 HydrophobicContact CB-CB 4.47Å; L62-F83 HydrophobicContact CB-CD2 4.39Å; L62-F83 HydrophobicContact CD1-CD2 3.85Å; L62-F83 HydrophobicContact CD1-CE2 4.06Å; L62-F83 HydrophobicContact CD1-CG 4.22Å; L62-F83 HydrophobicContact CD2-CD2 3.87Å; L62-F83 HydrophobicContact CD2-CE2 4.11Å; L62-F83 HydrophobicContact CG-CD2 4.23Å; L62-R85 HydrophobicContact CD2-CB 3.78Å; L62-R85 HydrophobicContact CD2-CG 3.82Å; L62-P181 VanDerWaalsContact O-CG 3.29Å; L62-P181 WeakPolarHBondContact O-CG 3.35Å
63	S	87.6	Confident	90.4	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.4	165.1	-48.7	0	0	0	0	109.2	F83 L84 P181	S63-F83 CarbonylContact O-C 3.41Å; S63-F83 WeakPolarHBondContact O-CA 3.19Å; S63-F83 WeakPolarHBondContact O-CB 3.48Å; S63-L84 PolarHBondContact N-O 3.01Å; S63-L84 VanDerWaalsContact N-O 3.17Å; S63-L84 PolarHBondContact O-N 3.4Å; S63-P181 CarbonylContact C-O 3.57Å; S63-P181 WeakPolarHBondContact CA-O 3.49Å
64	M	90	Very high	90.7	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.2	-179.1	-62.1	-53.9	-58.1	0	0	110.1	F83 L180 P181 Q182 T183	M64-F83 HydrophobicContact CE-CB 4.42Å; M64-F83 HydrophobicContact SD-CB 4.13Å; M64-L180 HydrophobicContact CG-CB 3.9Å; M64-L180 HydrophobicContact CG-CD1 3.79Å; M64-L180 HydrophobicContact CG-CG 4.45Å; M64-L180 HydrophobicContact SD-CD1 4.41Å; M64-P181 PolarHBondContact N-O 2.87Å; M64-Q182 WeakPolarHBondContact O-CA 3.3Å; M64-T183 PolarHBondContact O-N 2.71Å
65	C	90.2	Very high	91	Very high	1 Å²	1	50 Å²	50	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-82	178	-52.2	0	0	0	0	109.8	F44 T82 T183 K185 C186 M187	F44-C65 WeakPolarHBondContact CD1-O 3.47Å; F44-C65 VanDerWaalsContact CE1-O 3.22Å; F44-C65 WeakPolarHBondContact CE1-O 3.41Å; C65-T82 WeakPolarHBondContact CA-O 3.43Å; C65-T82 HydrophobicContact CB-CG2 4.07Å; C65-T82 VanDerWaalsContact CB-O 3.27Å; C65-T82 WeakPolarHBondContact CB-O 3.29Å; C65-T82 PolarHBondContact N-O 2.82Å; C65-T183 HydrophobicContact CB-CG2 4.47Å; C65-T183 WeakPolarHBondContact SG-CG2 3.27Å; C65-K185 WeakPolarHBondContact CB-O 2.99Å; C65-K185 PolarHBondContact SG-O 2.7Å; C65-C186 HydrophobicContact CB-CB 4.1Å; C65-M187 VanDerWaalsContact C-CE 3.44Å; C65-M187 HydrophobicContact CB-CE 4.09Å; C65-M187 WeakPolarHBondContact O-CE 3.45Å
66	K	94.5	Very high	91.6	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.3	178.8	63.7	179.8	179.6	-177.8	0	110.5	R42 F44 V68 T82 M187	R42-K66 HydrophobicContact CG-CB 4.32Å; F44-K66 HydrophobicContact CE1-CB 4.33Å; K66-V68 HydrophobicContact CD-CG2 4.26Å; K66-T82 PolarHBondContact N-O 2.78Å; K66-T82 PolarHBondContact O-N 2.71Å; K66-M187 HydrophobicContact CB-SD 4.07Å; K66-M187 WeakPolarHBondContact CE-O 3.41Å; K66-M187 PolarHBondContact NZ-O 3.37Å
67	S	97.1	Very high	92.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.2	162.2	-66.4	0	0	0	0	108.3	R42 W43 T80 S81 Y149	R42-S67 CarbonylContact C-O 3.6Å; R42-S67 WeakPolarHBondContact CA-O 3.48Å; W43-S67 PolarHBondContact N-O 2.94Å; W43-S67 PolarHBondContact O-N 2.76Å; W43-S67 VanDerWaalsContact O-O 3.11Å; S67-T80 CarbonylContact C-O 3.55Å; S67-T80 VanDerWaalsContact CA-O 3.28Å; S67-T80 WeakPolarHBondContact CA-O 3.41Å; S67-S81 PolarHBondContact OG-OG 3.37Å; S67-Y149 WeakPolarHBondContact OG-CE1 3.4Å; S67-Y149 PolarHBondContact OG-OH 3.11Å
68	V	97.9	Very high	92.7	Very high	49 Å²	49	42.6 Å²	42.6	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	175.8	-178.9	0	0	0	0	108.1	K66 T80	K66-V68 HydrophobicContact CD-CG2 4.26Å; V68-T80 PolarHBondContact N-O 3.48Å; V68-T80 PolarHBondContact O-N 3.22Å
69	V	98.5	Very high	93.2	Very high	6 Å²	6	38 Å²	38	4%	0.036	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.3	174.9	178.9	0	0	0	0	108	F39 L40 G41 L77 N78 L79	F39-V69 HydrophobicContact CD1-CG1 4.01Å; F39-V69 HydrophobicContact CE1-CG1 4.22Å; F39-V69 HydrophobicContact CE1-CG2 4.2Å; L40-V69 HydrophobicContact CD2-CG1 4.05Å; G41-V69 PolarHBondContact N-O 2.99Å; G41-V69 PolarHBondContact O-N 2.97Å; V69-L77 HydrophobicContact CG1-CB 4.28Å; V69-L77 HydrophobicContact CG1-CD1 3.81Å; V69-L77 HydrophobicContact CG1-CD2 3.76Å; V69-L77 HydrophobicContact CG1-CG 4.17Å; V69-N78 WeakPolarHBondContact CA-O 3.18Å; V69-L79 HydrophobicContact CG2-CD1 3.82Å
70	A	98.3	Very high	94	Very high	37 Å²	37	37.4 Å²	37.4	31%	0.306	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.5	179.1	0	0	0	0	0	110.3	L77 N78	A70-L77 CarbonylContact O-C 3.55Å; A70-L77 WeakPolarHBondContact O-CA 3.38Å; A70-N78 HydrophobicContact CB-CB 4.49Å; A70-N78 PolarHBondContact N-O 2.79Å; A70-N78 PolarHBondContact O-N 2.81Å
71	P	98	Very high	94.7	Very high	82 Å²	82	35.3 Å²	35.3	53%	0.532	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.4	174.7	27.2	-33.6	0	0	0	110.7
72	A	97.6	Very high	95.2	Very high	13 Å²	13	32 Å²	32	11%	0.107	20%	0.204	C	C	.	.			trans	-99.1	160.7	170.1	0	0	0	0	0	111	D74 G75 G76 L95	A72-D74 VanDerWaalsContact CB-OD1 3.29Å; A72-D74 WeakPolarHBondContact CB-OD1 3.21Å; A72-D74 PolarHBondContact O-N 3.43Å; A72-G75 PolarHBondContact O-N 2.93Å; A72-G76 PolarHBondContact N-O 2.78Å; A72-L95 HydrophobicContact CB-CD1 3.51Å
73	T	95.4	Very high	95.6	Very high	160 Å²	160	31.9 Å²	31.9	98%	0.982	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.5	-178	50.1	0	0	0	0	113.5	G75	T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.97Å
74	D	94.5	Very high	95.8	Very high	65 Å²	65	30.9 Å²	30.9	35%	0.348	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.2	176.6	68.2	-12.1	0	0	0	113.2	A72 G76	A72-D74 VanDerWaalsContact CB-OD1 3.29Å; A72-D74 WeakPolarHBondContact CB-OD1 3.21Å; A72-D74 PolarHBondContact O-N 3.43Å; D74-G76 PolarHBondContact O-N 3.34Å; D74-G76 PolarHBondContact OD1-N 2.91Å
75	G	94.7	Very high	95.8	Very high	41 Å²	41	36.2 Å²	36.2	42%	0.423	22%	0.215	S	C	.	.	S	Bend	trans	82.2	-5	-175.3	0	0	0	0	0	114	Q36 A72 T73	Q36-G75 PolarHBondContact NE2-O 2.84Å; A72-G75 PolarHBondContact O-N 2.93Å; T73-G75 VanDerWaalsContact C-N 3.25Å; T73-G75 PolarHBondContact O-N 2.97Å
76	G	97.4	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-80.6	-154.7	175.8	0	0	0	0	0	113.9	A72 D74 L96	A72-G76 PolarHBondContact N-O 2.78Å; D74-G76 PolarHBondContact O-N 3.34Å; D74-G76 PolarHBondContact OD1-N 2.91Å; G76-L96 CarbonylContact C-O 3.58Å; G76-L96 WeakPolarHBondContact CA-O 3.47Å
77	L	98.4	Very high	95.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.4	179.5	-63.8	174.3	0	0	0	111.7	Q36 F39 L40 V69 A70 L96 Y105	Q36-L77 HydrophobicContact CG-CD2 3.77Å; Q36-L77 HydrophobicContact CG-CG 4.4Å; F39-L77 HydrophobicContact CD1-CD1 4Å; F39-L77 HydrophobicContact CE1-CD1 4.27Å; L40-L77 HydrophobicContact CD2-CD2 3.63Å; V69-L77 HydrophobicContact CG1-CB 4.28Å; V69-L77 HydrophobicContact CG1-CD1 3.81Å; V69-L77 HydrophobicContact CG1-CD2 3.76Å; V69-L77 HydrophobicContact CG1-CG 4.17Å; A70-L77 CarbonylContact O-C 3.55Å; A70-L77 WeakPolarHBondContact O-CA 3.38Å; L77-L96 HydrophobicContact CB-CB 4.21Å; L77-L96 HydrophobicContact CB-CD1 4.46Å; L77-L96 PolarHBondContact N-O 2.88Å; L77-L96 WeakPolarHBondContact O-CB 3.47Å; L77-L96 PolarHBondContact O-N 2.97Å; L77-Y105 HydrophobicContact CD1-CE1 3.93Å; L77-Y105 HydrophobicContact CD1-CE2 3.95Å; L77-Y105 VanDerWaalsContact CD1-CZ 3.49Å; L77-Y105 WeakPolarHBondContact CD1-OH 3.47Å; L77-Y105 HydrophobicContact CG-CE1 3.91Å
78	N	98.2	Very high	95.3	Very high	52 Å²	52	56.3 Å²	56.3	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.1	161.2	-76.1	-52.5	0	0	0	108.9	V69 A70 T93	V69-N78 WeakPolarHBondContact CA-O 3.18Å; A70-N78 HydrophobicContact CB-CB 4.49Å; A70-N78 PolarHBondContact N-O 2.79Å; A70-N78 PolarHBondContact O-N 2.81Å; N78-T93 HydrophobicContact CB-CG2 4.4Å
79	L	98	Very high	95.1	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.7	173.6	176	62.9	0	0	0	109.6	V69 T93 M94 L96 Y149	V69-L79 HydrophobicContact CG2-CD1 3.82Å; L79-T93 CarbonylContact O-C 3.59Å; L79-T93 WeakPolarHBondContact O-CA 3.05Å; L79-M94 HydrophobicContact CB-CB 4.45Å; L79-M94 PolarHBondContact N-O 2.91Å; L79-M94 PolarHBondContact O-N 2.77Å; L79-L96 HydrophobicContact CB-CD1 4.28Å; L79-L96 HydrophobicContact CB-CG 4.47Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; L79-Y149 WeakPolarHBondContact CD1-OH 3.5Å
80	T	97.3	Very high	94.9	Very high	40 Å²	40	58.9 Å²	58.9	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	109.3	179.4	-62.5	0	0	0	0	110	S67 V68 T91 R92 T93	S67-T80 CarbonylContact C-O 3.55Å; S67-T80 VanDerWaalsContact CA-O 3.28Å; S67-T80 WeakPolarHBondContact CA-O 3.41Å; V68-T80 PolarHBondContact N-O 3.48Å; V68-T80 PolarHBondContact O-N 3.22Å; T80-T91 HydrophobicContact CG2-CG2 3.31Å; T80-R92 CarbonylContact C-O 3.51Å; T80-R92 WeakPolarHBondContact CA-O 3.22Å; T80-T93 WeakPolarHBondContact OG1-CG2 3.03Å; T80-T93 PolarHBondContact OG1-OG1 2.85Å
81	S	95.6	Very high	94.7	Very high	13 Å²	13	60.6 Å²	60.6	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	178.5	-62.8	0	0	0	0	111.2	S67 T91 R92	S67-S81 PolarHBondContact OG-OG 3.37Å; S81-T91 CarbonylContact O-C 3.55Å; S81-T91 WeakPolarHBondContact O-CA 3.49Å; S81-R92 PolarHBondContact N-O 3.02Å; S81-R92 PolarHBondContact O-N 3.36Å
82	T	95	Very high	94.5	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.4	172.1	-55.9	0	0	0	0	109.5	C65 K66 E90 T91 C186	C65-T82 WeakPolarHBondContact CA-O 3.43Å; C65-T82 HydrophobicContact CB-CG2 4.07Å; C65-T82 VanDerWaalsContact CB-O 3.27Å; C65-T82 WeakPolarHBondContact CB-O 3.29Å; C65-T82 PolarHBondContact N-O 2.82Å; K66-T82 PolarHBondContact N-O 2.78Å; K66-T82 PolarHBondContact O-N 2.71Å; T82-E90 WeakPolarHBondContact CA-O 3.15Å; T82-T91 PolarHBondContact OG1-OG1 2.82Å; T82-C186 HydrophobicContact CG2-CB 3.69Å
83	F	93	Very high	94.4	Very high	18 Å²	18	66 Å²	66	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.5	-180	53.6	-92.2	0	0	0	110.9	L62 S63 M64 R85 E90 R92	L62-F83 HydrophobicContact CB-CB 4.47Å; L62-F83 HydrophobicContact CB-CD2 4.39Å; L62-F83 HydrophobicContact CD1-CD2 3.85Å; L62-F83 HydrophobicContact CD1-CE2 4.06Å; L62-F83 HydrophobicContact CD1-CG 4.22Å; L62-F83 HydrophobicContact CD2-CD2 3.87Å; L62-F83 HydrophobicContact CD2-CE2 4.11Å; L62-F83 HydrophobicContact CG-CD2 4.23Å; S63-F83 CarbonylContact O-C 3.41Å; S63-F83 WeakPolarHBondContact O-CA 3.19Å; S63-F83 WeakPolarHBondContact O-CB 3.48Å; M64-F83 HydrophobicContact CE-CB 4.42Å; M64-F83 HydrophobicContact SD-CB 4.13Å; F83-R85 HydrophobicContact CD2-CB 4.32Å; F83-R85 HydrophobicContact CE2-CB 4.33Å; F83-E90 HydrophobicContact CD2-CB 4.12Å; F83-E90 HydrophobicContact CE2-CB 3.59Å; F83-E90 HydrophobicContact CE2-CG 4.37Å; F83-E90 HydrophobicContact CZ-CB 3.84Å; F83-E90 PolarHBondContact N-O 3.39Å; F83-E90 PolarHBondContact O-N 3.35Å; F83-R92 HydrophobicContact CE1-CB 4.33Å; F83-R92 HydrophobicContact CE1-CG 3.81Å; F83-R92 HydrophobicContact CZ-CG 3.97Å
84	L	92.6	Very high	94.4	Very high	15 Å²	15	61 Å²	61	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.4	174.9	-165.3	76.3	0	0	0	109.8	S63 Q88 T183 K185	S63-L84 PolarHBondContact N-O 3.01Å; S63-L84 VanDerWaalsContact N-O 3.17Å; S63-L84 PolarHBondContact O-N 3.4Å; L84-Q88 WeakPolarHBondContact CA-O 3.37Å; L84-T183 HydrophobicContact CB-CG2 4.07Å; L84-K185 HydrophobicContact CD1-CD 4.44Å; L84-K185 HydrophobicContact CD2-CD 4.01Å
85	R	90.7	Very high	94.6	Very high	113 Å²	113	61.3 Å²	61.3	43%	0.426	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.6	174.6	-177.1	165.5	168.6	-131.5	7.8	109.2	L62 F83 N87 Q88 E90	L62-R85 HydrophobicContact CD2-CB 3.78Å; L62-R85 HydrophobicContact CD2-CG 3.82Å; F83-R85 HydrophobicContact CD2-CB 4.32Å; F83-R85 HydrophobicContact CE2-CB 4.33Å; R85-N87 PolarHBondContact O-N 3.44Å; R85-Q88 PolarHBondContact N-O 2.95Å; R85-Q88 PolarHBondContact O-N 3.16Å; R85-E90 HydrophobicContact CB-CG 4.49Å; R85-E90 VanDerWaalsContact CD-OE1 3.28Å; R85-E90 WeakPolarHBondContact CD-OE1 3.28Å; R85-E90 IonicContact CZ-OE1 3.87Å; R85-E90 IonicContact NE-OE1 3.95Å; R85-E90 IonicContact NH1-OE1 3.02Å; R85-E90 PolarHBondContact NH1-OE1 3.46Å; R85-E90 IonicContact NH1-OE2 3.67Å
86	K	90	Very high	94.7	Very high	188 Å²	188	59.8 Å²	59.8	82%	0.817	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	45	-177.1	-58.6	-177	176.5	-174.2	0	112.8	Q88	K86-Q88 PolarHBondContact O-N 2.84Å
87	N	87.5	Confident	94.7	Very high	129 Å²	129	63.6 Å²	63.6	69%	0.69	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	12.3	-175.4	-70.3	-39.1	0	0	0	116.5	R85	R85-N87 PolarHBondContact O-N 3.44Å
88	Q	93	Very high	94.7	Very high	134 Å²	134	66.9 Å²	66.9	63%	0.626	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.8	173	-65.3	-177.6	-32.3	0	0	110.7	L84 R85 K86 E90	L84-Q88 WeakPolarHBondContact CA-O 3.37Å; R85-Q88 PolarHBondContact N-O 2.95Å; R85-Q88 PolarHBondContact O-N 3.16Å; K86-Q88 PolarHBondContact O-N 2.84Å; Q88-E90 PolarHBondContact O-N 3.43Å
89	C	93.2	Very high	94.5	Very high	76 Å²	76	66.9 Å²	66.9	51%	0.514	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.5	173.2	-58.9	0	0	0	0	109	C186	C89-C186 VanDerWaalsContact CA-SG 3.52Å; C89-C186 HydrophobicContact CB-CB 3.68Å; C89-C186 WeakPolarHBondContact CB-SG 3.24Å; C89-C186 WeakPolarHBondContact SG-CB 3.47Å; C89-C186 CovalentContact SG-SG 2.02Å; C89-C186 PolarHBondContact SG-SG 3.18Å
90	E	94.1	Very high	94.1	Very high	32 Å²	32	70 Å²	70	15%	0.15	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.4	174.1	-70.7	-167	-144	0	0	109.8	T82 F83 R85 Q88 R92	T82-E90 WeakPolarHBondContact CA-O 3.15Å; F83-E90 HydrophobicContact CD2-CB 4.12Å; F83-E90 HydrophobicContact CE2-CB 3.59Å; F83-E90 HydrophobicContact CE2-CG 4.37Å; F83-E90 HydrophobicContact CZ-CB 3.84Å; F83-E90 PolarHBondContact N-O 3.39Å; F83-E90 PolarHBondContact O-N 3.35Å; R85-E90 HydrophobicContact CB-CG 4.49Å; R85-E90 VanDerWaalsContact CD-OE1 3.28Å; R85-E90 WeakPolarHBondContact CD-OE1 3.28Å; R85-E90 IonicContact CZ-OE1 3.87Å; R85-E90 IonicContact NE-OE1 3.95Å; R85-E90 IonicContact NH1-OE1 3.02Å; R85-E90 PolarHBondContact NH1-OE1 3.46Å; R85-E90 IonicContact NH1-OE2 3.67Å; Q88-E90 PolarHBondContact O-N 3.43Å; E90-R92 IonicContact OE2-CZ 2.65Å; E90-R92 IonicContact OE2-NH1 3.21Å; E90-R92 PolarHBondContact OE2-NH1 2.78Å; E90-R92 IonicContact OE2-NH2 3.32Å; E90-R92 PolarHBondContact OE2-NH2 2.87Å
91	T	94.3	Very high	93.8	Very high	73 Å²	73	71.4 Å²	71.4	45%	0.448	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.5	175.6	-62.6	0	0	0	0	110.1	T80 S81 T82	T80-T91 HydrophobicContact CG2-CG2 3.31Å; S81-T91 CarbonylContact O-C 3.55Å; S81-T91 WeakPolarHBondContact O-CA 3.49Å; T82-T91 PolarHBondContact OG1-OG1 2.82Å
92	R	94	Very high	93.8	Very high	126 Å²	126	77 Å²	77	48%	0.475	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.6	173.8	-66.4	-63.3	-176.7	-72.3	-7.6	109.7	T80 S81 F83 E90	T80-R92 CarbonylContact C-O 3.51Å; T80-R92 WeakPolarHBondContact CA-O 3.22Å; S81-R92 PolarHBondContact N-O 3.02Å; S81-R92 PolarHBondContact O-N 3.36Å; F83-R92 HydrophobicContact CE1-CB 4.33Å; F83-R92 HydrophobicContact CE1-CG 3.81Å; F83-R92 HydrophobicContact CZ-CG 3.97Å; E90-R92 IonicContact OE2-CZ 2.65Å; E90-R92 IonicContact OE2-NH1 3.21Å; E90-R92 PolarHBondContact OE2-NH1 2.78Å; E90-R92 IonicContact OE2-NH2 3.32Å; E90-R92 PolarHBondContact OE2-NH2 2.87Å
93	T	95.5	Very high	93.9	Very high	82 Å²	82	76.6 Å²	76.6	50%	0.503	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.1	176.9	-58.4	0	0	0	0	110	N78 L79 T80	N78-T93 HydrophobicContact CB-CG2 4.4Å; L79-T93 CarbonylContact O-C 3.59Å; L79-T93 WeakPolarHBondContact O-CA 3.05Å; T80-T93 WeakPolarHBondContact OG1-CG2 3.03Å; T80-T93 PolarHBondContact OG1-OG1 2.85Å
94	M	95.9	Very high	94.1	Very high	56 Å²	56	76.3 Å²	76.3	28%	0.276	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	174.2	-63.7	170.6	61.7	0	0	108.6	L79 Y107	L79-M94 HydrophobicContact CB-CB 4.45Å; L79-M94 PolarHBondContact N-O 2.91Å; L79-M94 PolarHBondContact O-N 2.77Å; M94-Y107 HydrophobicContact CB-CD2 4.2Å; M94-Y107 HydrophobicContact CB-CE2 4.07Å; M94-Y107 HydrophobicContact CE-CD1 3.49Å; M94-Y107 VanDerWaalsContact CE-CD1 3.49Å; M94-Y107 HydrophobicContact CE-CD2 3.87Å; M94-Y107 HydrophobicContact CE-CE1 3.54Å; M94-Y107 HydrophobicContact CE-CE2 3.93Å; M94-Y107 HydrophobicContact CE-CG 3.65Å; M94-Y107 HydrophobicContact CG-CE2 4.05Å
95	L	97.6	Very high	94.3	Very high	71 Å²	71	75.9 Å²	75.9	37%	0.372	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.8	170.3	179	62.8	0	0	0	109	A72 Q97	A72-L95 HydrophobicContact CB-CD1 3.51Å; L95-Q97 HydrophobicContact CD2-CG 4.29Å; L95-Q97 HydrophobicContact CG-CG 4.12Å
96	L	97.9	Very high	94.6	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	101.7	175.9	-58.3	-174.6	0	0	0	108.5	G76 L77 L79 Y105 V118	G76-L96 CarbonylContact C-O 3.58Å; G76-L96 WeakPolarHBondContact CA-O 3.47Å; L77-L96 HydrophobicContact CB-CB 4.21Å; L77-L96 HydrophobicContact CB-CD1 4.46Å; L77-L96 PolarHBondContact N-O 2.88Å; L77-L96 WeakPolarHBondContact O-CB 3.47Å; L77-L96 PolarHBondContact O-N 2.97Å; L79-L96 HydrophobicContact CB-CD1 4.28Å; L79-L96 HydrophobicContact CB-CG 4.47Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; L96-Y105 HydrophobicContact CB-CD1 4.05Å; L96-Y105 HydrophobicContact CB-CG 3.98Å; L96-V118 HydrophobicContact CD1-CG1 4.47Å; L96-V118 HydrophobicContact CD2-CG2 4.15Å
97	Q	97.8	Very high	95	Very high	81 Å²	81	65.1 Å²	65.1	38%	0.379	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.8	-176.2	-53	-171	-85.7	0	0	110.3	L95 A99 Y105 S106	L95-Q97 HydrophobicContact CD2-CG 4.29Å; L95-Q97 HydrophobicContact CG-CG 4.12Å; Q97-A99 PolarHBondContact O-N 2.76Å; Q97-Y105 CarbonylContact O-C 3.53Å; Q97-Y105 WeakPolarHBondContact O-CA 3.17Å; Q97-Y105 WeakPolarHBondContact O-CB 3.3Å; Q97-S106 PolarHBondContact N-O 2.92Å; Q97-S106 PolarHBondContact O-N 2.85Å
98	P	97.1	Very high	95.4	Very high	70 Å²	70	67.6 Å²	67.6	46%	0.455	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	136.4	177.2	-23.6	34.6	0	0	0	112.5
99	A	94.6	Very high	95.3	Very high	52 Å²	52	61.4 Å²	61.4	43%	0.43	35%	0.346	S	S	.	.			trans	-113.8	25	-178	0	0	0	0	0	114.1	Q97 S101 S104	Q97-A99 PolarHBondContact O-N 2.76Å; A99-S101 PolarHBondContact O-N 3.39Å; A99-S104 PolarHBondContact N-O 2.84Å
100	G	89.3	Confident	95.1	Very high	82 Å²	82	63.7 Å²	63.7	85%	0.845	36%	0.36	S	S	*	.	S	Bend	trans	97.6	-48.8	174.6	0	0	0	0	0	114.3
101	S	91.7	Very high	94.8	Very high	68 Å²	68	69.4 Å²	69.4	48%	0.476	39%	0.387	S	S	.	.	S	Bend	trans	-92.3	141.5	174.1	47.1	0	0	0	0	112.3	A99 G103 S104	A99-S101 PolarHBondContact O-N 3.39Å; S101-G103 PolarHBondContact O-N 3.07Å; S101-S104 WeakPolarHBondContact O-CB 2.91Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 WeakPolarHBondContact OG-CB 3.21Å; S101-S104 PolarHBondContact OG-OG 2.94Å
102	L	95.1	Very high	94.4	Very high	131 Å²	131	71.3 Å²	71.3	69%	0.686	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.6	174.3	-67.2	175.4	0	0	0	110.3	V30 F34 S104	V30-L102 WeakPolarHBondContact CG1-O 3.45Å; F34-L102 HydrophobicContact CB-CB 4.33Å; L102-S104 VanDerWaalsContact C-N 3.32Å
103	G	96.7	Very high	94.3	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.021	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-0.7	-176	0	0	0	0	0	114.5	F34 S101 S119 V120	F34-G103 VanDerWaalsContact CD1-CA 3.42Å; F34-G103 VanDerWaalsContact CD1-N 3.34Å; S101-G103 PolarHBondContact O-N 3.07Å; G103-S119 WeakPolarHBondContact O-CA 3.43Å; G103-V120 PolarHBondContact O-N 2.02Å
104	S	97.3	Very high	94.2	Very high	13 Å²	13	64.4 Å²	64.4	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	174.5	-54.6	0	0	0	0	111.6	V30 A99 S101 L102	V30-S104 VanDerWaalsContact CG2-OG 3.3Å; V30-S104 WeakPolarHBondContact CG2-OG 3.2Å; A99-S104 PolarHBondContact N-O 2.84Å; S101-S104 WeakPolarHBondContact O-CB 2.91Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 WeakPolarHBondContact OG-CB 3.21Å; S101-S104 PolarHBondContact OG-OG 2.94Å; L102-S104 VanDerWaalsContact C-N 3.32Å
105	Y	97.9	Very high	94.2	Very high	6 Å²	6	63 Å²	63	2%	0.024	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.3	-177	-54.3	-87.9	0	0	0	111.5	F34 Q36 L77 L96 Q97 S117 V118 V120	F34-Y105 VanDerWaalsContact CE1-OH 3.27Å; F34-Y105 WeakPolarHBondContact CE1-OH 3.46Å; Q36-Y105 PolarHBondContact OE1-OH 3.03Å; L77-Y105 HydrophobicContact CD1-CE1 3.93Å; L77-Y105 HydrophobicContact CD1-CE2 3.95Å; L77-Y105 VanDerWaalsContact CD1-CZ 3.49Å; L77-Y105 WeakPolarHBondContact CD1-OH 3.47Å; L77-Y105 HydrophobicContact CG-CE1 3.91Å; L96-Y105 HydrophobicContact CB-CD1 4.05Å; L96-Y105 HydrophobicContact CB-CG 3.98Å; Q97-Y105 CarbonylContact O-C 3.53Å; Q97-Y105 WeakPolarHBondContact O-CA 3.17Å; Q97-Y105 WeakPolarHBondContact O-CB 3.3Å; Y105-S117 CarbonylContact O-C 3.54Å; Y105-S117 WeakPolarHBondContact O-CA 3.41Å; Y105-V118 PolarHBondContact N-O 2.87Å; Y105-V118 PolarHBondContact O-N 2.81Å; Y105-V120 HydrophobicContact CE2-CG2 4.4Å
106	S	96.9	Very high	94.2	Very high	28 Å²	28	60.6 Å²	60.6	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	172.2	177.6	0	0	0	0	109.2	Q97 T115 Y116	Q97-S106 PolarHBondContact N-O 2.92Å; Q97-S106 PolarHBondContact O-N 2.85Å; S106-T115 WeakPolarHBondContact OG-CG2 3.42Å; S106-Y116 CarbonylContact C-O 3.54Å; S106-Y116 WeakPolarHBondContact CA-O 3.28Å
107	Y	97	Very high	94.1	Very high	46 Å²	46	61.6 Å²	61.6	18%	0.18	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.2	171.6	168	-117.1	0	0	0	109.3	M94 S109 T115 Y116	M94-Y107 HydrophobicContact CB-CD2 4.2Å; M94-Y107 HydrophobicContact CB-CE2 4.07Å; M94-Y107 HydrophobicContact CE-CD1 3.49Å; M94-Y107 VanDerWaalsContact CE-CD1 3.49Å; M94-Y107 HydrophobicContact CE-CD2 3.87Å; M94-Y107 HydrophobicContact CE-CE1 3.54Å; M94-Y107 HydrophobicContact CE-CE2 3.93Å; M94-Y107 HydrophobicContact CE-CG 3.65Å; M94-Y107 HydrophobicContact CG-CE2 4.05Å; Y107-S109 PolarHBondContact OH-OG 3.24Å; Y107-T115 CarbonylContact O-C 3.48Å; Y107-T115 WeakPolarHBondContact O-CA 3.48Å; Y107-Y116 AromaticContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CE2 4.46Å; Y107-Y116 HydrophobicContact CD1-CG 4.43Å; Y107-Y116 HydrophobicContact CE1-CD2 4.14Å; Y107-Y116 HydrophobicContact CE1-CE2 4.46Å; Y107-Y116 PolarHBondContact N-O 3.31Å; Y107-Y116 PolarHBondContact O-N 2.85Å
108	R	95.8	Very high	94.1	Very high	182 Å²	182	58.2 Å²	58.2	69%	0.687	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.7	171.1	-173.3	173	-177.2	156.3	-0.9	109.2	P110	R108-P110 VanDerWaalsContact O-CD 3.31Å; R108-P110 WeakPolarHBondContact O-CD 3.49Å
109	S	92.3	Very high	94.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.7	174.7	-171.8	0	0	0	0	110.8	Y107 H111 W112 G113 S114	Y107-S109 PolarHBondContact OH-OG 3.24Å; S109-H111 PolarHBondContact O-N 2.86Å; S109-W112 PolarHBondContact OG-N 3.4Å; S109-G113 PolarHBondContact O-N 3.03Å; S109-S114 PolarHBondContact N-O 2.78Å
110	P	87.8	Confident	94.3	Very high	124 Å²	124	53.1 Å²	53.1	81%	0.805	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.9	173.4	-21.1	34.1	0	0	0	111.9	R108	R108-P110 VanDerWaalsContact O-CD 3.31Å; R108-P110 WeakPolarHBondContact O-CD 3.49Å
111	H	87.8	Confident	94.7	Very high	152 Å²	152	49.8 Å²	49.8	70%	0.704	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-40.4	-176.4	-174	60.6	0	0	0	113	S109	S109-H111 PolarHBondContact O-N 2.86Å
112	W	85.9	Confident	95	Very high	114 Å²	114	49.6 Å²	49.6	43%	0.432	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.7	-176.4	-59.4	115.4	0	0	0	114	W54 S109 S114 P139	W54-W112 AromaticContact CH2-CH2 3.81Å; W54-W112 HydrophobicContact CH2-CH2 3.81Å; W54-W112 AromaticContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CH2-CZ2 3.52Å; W54-W112 HydrophobicContact CZ2-CH2 4.2Å; W54-W112 HydrophobicContact CZ2-CZ2 4.32Å; W54-W112 HydrophobicContact CZ3-CH2 4.03Å; W54-W112 AromaticContact CZ3-CZ2 3.7Å; W54-W112 HydrophobicContact CZ3-CZ2 3.7Å; S109-W112 PolarHBondContact OG-N 3.4Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-S114 PolarHBondContact O-OG 2.86Å; W112-P139 WeakPolarHBondContact O-CG 3.17Å
113	G	91.7	Very high	95.2	Very high	61 Å²	61	43.7 Å²	43.7	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	21.9	-175	0	0	0	0	0	113.5	S109	S109-G113 PolarHBondContact O-N 3.03Å
114	S	94.7	Very high	95.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.9	-170.1	-59	0	0	0	0	111.2	S109 W112 K137 P139 G140	S109-S114 PolarHBondContact N-O 2.78Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-S114 PolarHBondContact O-OG 2.86Å; S114-K137 CarbonylContact C-O 3.56Å; S114-K137 WeakPolarHBondContact CA-O 3.46Å; S114-K137 WeakPolarHBondContact CB-O 3.1Å; S114-P139 VanDerWaalsContact OG-CD 3.27Å; S114-P139 WeakPolarHBondContact OG-CD 3.48Å; S114-P139 WeakPolarHBondContact OG-CG 3.45Å; S114-G140 PolarHBondContact OG-N 3.2Å
115	T	95.8	Very high	95.4	Very high	25 Å²	25	46.7 Å²	46.7	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.1	170.8	-50.1	0	0	0	0	108.5	S106 Y107 S136 K137	S106-T115 WeakPolarHBondContact OG-CG2 3.42Å; Y107-T115 CarbonylContact O-C 3.48Å; Y107-T115 WeakPolarHBondContact O-CA 3.48Å; T115-S136 PolarHBondContact O-N 2.9Å; T115-S136 PolarHBondContact O-OG 2.83Å; T115-K137 PolarHBondContact N-O 2.79Å; T115-K137 PolarHBondContact O-N 2.85Å
116	Y	96.4	Very high	95.4	Very high	22 Å²	22	51.4 Å²	51.4	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.7	-179.5	-57.4	-87.7	0	0	0	109.1	S106 Y107 Q134 F143	S106-Y116 CarbonylContact C-O 3.54Å; S106-Y116 WeakPolarHBondContact CA-O 3.28Å; Y107-Y116 AromaticContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CD2 3.7Å; Y107-Y116 HydrophobicContact CD1-CE2 4.46Å; Y107-Y116 HydrophobicContact CD1-CG 4.43Å; Y107-Y116 HydrophobicContact CE1-CD2 4.14Å; Y107-Y116 HydrophobicContact CE1-CE2 4.46Å; Y107-Y116 PolarHBondContact N-O 3.31Å; Y107-Y116 PolarHBondContact O-N 2.85Å; Y116-Q134 CarbonylContact C-O 3.56Å; Y116-Q134 WeakPolarHBondContact CA-O 3.38Å; Y116-Q134 WeakPolarHBondContact CB-O 3.49Å; Y116-F143 HydrophobicContact CD1-CB 4.44Å; Y116-F143 AromaticContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CE1 4.29Å; Y116-F143 HydrophobicContact CD1-CG 4.36Å; Y116-F143 HydrophobicContact CE1-CB 3.83Å; Y116-F143 AromaticContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CE1 4.35Å; Y116-F143 AromaticContact CE1-CG 3.87Å; Y116-F143 HydrophobicContact CE1-CG 3.87Å
117	S	96.7	Very high	95.4	Very high	30 Å²	30	53.2 Å²	53.2	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.8	164.4	58.9	0	0	0	0	109.2	Y105 S133 Q134	Y105-S117 CarbonylContact O-C 3.54Å; Y105-S117 WeakPolarHBondContact O-CA 3.41Å; S117-S133 WeakPolarHBondContact O-CA 3.11Å; S117-Q134 PolarHBondContact N-O 3Å; S117-Q134 PolarHBondContact O-N 3.16Å; S117-Q134 VanDerWaalsContact O-N 3.08Å; S117-Q134 WeakPolarHBondContact OG-CG 3.49Å; S117-Q134 PolarHBondContact OG-O 3.32Å
118	V	97.6	Very high	95.5	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.2	176.4	-177.4	0	0	0	0	108.1	L96 Y105 L131 Y132	L96-V118 HydrophobicContact CD1-CG1 4.47Å; L96-V118 HydrophobicContact CD2-CG2 4.15Å; Y105-V118 PolarHBondContact N-O 2.87Å; Y105-V118 PolarHBondContact O-N 2.81Å; V118-L131 HydrophobicContact CG1-CD2 4.32Å; V118-Y132 WeakPolarHBondContact CA-O 3.48Å
119	S	97.8	Very high	95.7	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134	-177.5	-60.3	0	0	0	0	110.7	G103 V121 L131 Y132	G103-S119 WeakPolarHBondContact O-CA 3.43Å; S119-V121 PolarHBondContact O-N 3.22Å; S119-L131 VanDerWaalsContact O-CA 3.28Å; S119-L131 WeakPolarHBondContact O-CA 3.01Å; S119-Y132 PolarHBondContact N-O 3.3Å; S119-Y132 PolarHBondContact O-N 3.29Å
120	V	98.4	Very high	96	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	101.7	164.8	-175.3	0	0	0	0	107.5	V30 Q31 F34 F39 G103 Y105 T123 L131	V30-V120 WeakPolarHBondContact CG1-O 3.09Å; Q31-V120 PolarHBondContact N-O 2.88Å; F34-V120 HydrophobicContact CD2-CB 4.24Å; F34-V120 HydrophobicContact CD2-CG1 4.16Å; F34-V120 HydrophobicContact CE2-CB 3.94Å; F34-V120 HydrophobicContact CE2-CG1 3.81Å; F34-V120 HydrophobicContact CE2-CG2 3.95Å; F34-V120 HydrophobicContact CZ-CG2 4.14Å; F39-V120 HydrophobicContact CE1-CG2 4.17Å; F39-V120 HydrophobicContact CE2-CG1 4.36Å; F39-V120 HydrophobicContact CE2-CG2 4.48Å; F39-V120 HydrophobicContact CZ-CG2 4.1Å; G103-V120 PolarHBondContact O-N 2.02Å; Y105-V120 HydrophobicContact CE2-CG2 4.4Å; V120-T123 HydrophobicContact CG1-CG2 3.75Å; V120-L131 HydrophobicContact CG2-CG 4.39Å
121	V	98.1	Very high	96.5	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-44.8	-171.6	-179.3	0	0	0	0	111.4	V28 S29 V30 Q31 S119 L130 F166	V28-V121 HydrophobicContact CG1-CG2 4.41Å; V28-V121 HydrophobicContact CG2-CB 4.38Å; V28-V121 HydrophobicContact CG2-CG1 4Å; V28-V121 HydrophobicContact CG2-CG2 3.45Å; V28-V121 VanDerWaalsContact CG2-CG2 3.45Å; S29-V121 WeakPolarHBondContact O-CA 3.46Å; S29-V121 WeakPolarHBondContact O-CG1 3.39Å; V30-V121 CarbonylContact C-O 3.59Å; Q31-V121 WeakPolarHBondContact CA-O 3.22Å; Q31-V121 PolarHBondContact N-O 3.12Å; S119-V121 PolarHBondContact O-N 3.22Å; V121-L130 HydrophobicContact CB-CB 4.44Å; V121-L130 WeakPolarHBondContact CB-O 3.47Å; V121-L130 PolarHBondContact N-O 3.46Å; V121-F166 HydrophobicContact CB-CE2 4.4Å; V121-F166 HydrophobicContact CB-CZ 4.38Å; V121-F166 HydrophobicContact CG1-CE2 3.81Å; V121-F166 HydrophobicContact CG1-CZ 4.27Å; V121-F166 HydrophobicContact CG2-CE2 4.34Å; V121-F166 HydrophobicContact CG2-CZ 3.98Å
122	E	98.4	Very high	97	Very high	65 Å²	65	30.5 Å²	30.5	30%	0.304	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	134.9	-177.3	-171.7	-179	169.6	0	0	108.5	Y128 A129 L130 K162	E122-Y128 VanDerWaalsContact CD-OH 3.29Å; E122-Y128 HydrophobicContact CG-CE2 4.1Å; E122-Y128 WeakPolarHBondContact CG-OH 3.33Å; E122-Y128 PolarHBondContact OE1-OH 2.8Å; E122-A129 CarbonylContact O-C 3.59Å; E122-A129 WeakPolarHBondContact O-CA 3.43Å; E122-L130 HydrophobicContact CB-CB 4.31Å; E122-L130 HydrophobicContact CB-CD1 4.19Å; E122-L130 HydrophobicContact CB-CG 4.38Å; E122-L130 PolarHBondContact N-O 2.99Å; E122-L130 PolarHBondContact O-N 3.07Å; E122-K162 IonicContact OE1-NZ 2.74Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-K162 IonicContact OE2-NZ 3.94Å
123	T	98.7	Very high	97.5	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	143.7	173	-176.1	0	0	0	0	110.8	Q31 F34 V120 Y125 Y128	Q31-T123 HydrophobicContact CB-CG2 4.44Å; Q31-T123 HydrophobicContact CG-CG2 3.98Å; Q31-T123 PolarHBondContact OE1-O 3.43Å; F34-T123 HydrophobicContact CD2-CG2 4.35Å; F34-T123 HydrophobicContact CE2-CG2 4.29Å; V120-T123 HydrophobicContact CG1-CG2 3.75Å; T123-Y125 HydrophobicContact CG2-CD1 3.94Å; T123-Y125 HydrophobicContact CG2-CE1 3.75Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 PolarHBondContact OG1-N 3.4Å; T123-Y128 WeakPolarHBondContact CA-O 3.41Å; T123-Y128 WeakPolarHBondContact CB-O 3.49Å; T123-Y128 PolarHBondContact OG1-O 2.98Å
124	D	98.4	Very high	97.7	Very high	45 Å²	45	23.8 Å²	23.8	24%	0.241	12%	0.123	C	C	.	.			trans	-97.7	5.2	165.7	61.9	4.6	0	0	0	112.6	D126 Q127 Y128	D124-D126 PolarHBondContact O-N 2.95Å; D124-D126 PolarHBondContact OD1-N 2.85Å; D124-Q127 WeakPolarHBondContact OD1-CA 3.45Å; D124-Q127 PolarHBondContact OD1-N 3.31Å; D124-Q127 WeakPolarHBondContact OD2-CB 3.36Å; D124-Q127 PolarHBondContact OD2-NE2 3.49Å; D124-Q127 VanDerWaalsContact OD2-NE2 3.12Å; D124-Y128 HydrophobicContact CB-CD1 4.47Å; D124-Y128 HydrophobicContact CB-CE1 4.04Å; D124-Y128 VanDerWaalsContact CG-CD1 3.46Å; D124-Y128 VanDerWaalsContact CG-CE1 3.46Å; D124-Y128 PolarHBondContact N-O 3.33Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.45Å; D124-Y128 PolarHBondContact OD1-N 3.14Å; D124-Y128 VanDerWaalsContact OD2-CD1 3.22Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.47Å; D124-Y128 WeakPolarHBondContact OD2-CE1 3.49Å
125	Y	98.6	Very high	97.7	Very high	32 Å²	32	23.9 Å²	23.9	13%	0.125	13%	0.125	C	C	.	.	S	Bend	trans	66.3	-33.3	-178.2	-47.9	-81.3	0	0	0	115.3	N33 F34 Q35 K38 F39 W43 T123 R151	N33-Y125 PolarHBondContact O-OH 3.19Å; F34-Y125 WeakPolarHBondContact CA-OH 3.33Å; F34-Y125 HydrophobicContact CD2-CE1 4.23Å; F34-Y125 HydrophobicContact CE2-CE1 4.25Å; Q35-Y125 HydrophobicContact CB-CE1 4.1Å; Q35-Y125 PolarHBondContact N-OH 3.39Å; Q35-Y125 WeakPolarHBondContact O-CE1 3.39Å; K38-Y125 HydrophobicContact CB-CD1 3.45Å; K38-Y125 VanDerWaalsContact CB-CD1 3.45Å; K38-Y125 HydrophobicContact CB-CD2 4.32Å; K38-Y125 HydrophobicContact CB-CE1 4.01Å; K38-Y125 HydrophobicContact CB-CG 3.63Å; K38-Y125 HydrophobicContact CD-CD2 4.29Å; K38-Y125 HydrophobicContact CD-CG 4.4Å; F39-Y125 HydrophobicContact CB-CD1 4.35Å; W43-Y125 WeakPolarHBondContact CH2-O 3.35Å; T123-Y125 HydrophobicContact CG2-CD1 3.94Å; T123-Y125 HydrophobicContact CG2-CE1 3.75Å; T123-Y125 HydrophobicContact CG2-CG 4.46Å; T123-Y125 PolarHBondContact OG1-N 3.4Å; Y125-R151 VanDerWaalsContact O-CZ 3.31Å; Y125-R151 PolarHBondContact O-NE 2.72Å; Y125-R151 PolarHBondContact O-NH2 3.18Å
126	D	98.3	Very high	97.5	Very high	105 Å²	105	25 Å²	25	56%	0.561	13%	0.133	S	C	*	.	S	Bend	trans	-103.4	-15.4	-170.2	70.8	-10.4	0	0	0	114.7	D124 R151	D124-D126 PolarHBondContact O-N 2.95Å; D124-D126 PolarHBondContact OD1-N 2.85Å; D126-R151 VanDerWaalsContact C-CG 3.45Å; D126-R151 WeakPolarHBondContact O-CB 3.28Å; D126-R151 WeakPolarHBondContact O-CG 3.13Å
127	Q	98.4	Very high	97.4	Very high	66 Å²	66	31 Å²	31	31%	0.308	16%	0.16	S	C	.	.	S	Bend	trans	-127.1	-46.6	177.7	-61.6	169.4	87.6	0	0	112.7	D124 S150 R151	D124-Q127 WeakPolarHBondContact OD1-CA 3.45Å; D124-Q127 PolarHBondContact OD1-N 3.31Å; D124-Q127 WeakPolarHBondContact OD2-CB 3.36Å; D124-Q127 PolarHBondContact OD2-NE2 3.49Å; D124-Q127 VanDerWaalsContact OD2-NE2 3.12Å; Q127-S150 CarbonylContact O-C 3.52Å; Q127-S150 WeakPolarHBondContact O-CA 3.27Å; Q127-R151 PolarHBondContact O-N 2.89Å
128	Y	98.7	Very high	97.2	Very high	18 Å²	18	31.1 Å²	31.1	7%	0.071	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165	-173.6	78	-76.7	0	0	0	114.3	E122 T123 D124 L130 Y149 L159 K162	E122-Y128 VanDerWaalsContact CD-OH 3.29Å; E122-Y128 HydrophobicContact CG-CE2 4.1Å; E122-Y128 WeakPolarHBondContact CG-OH 3.33Å; E122-Y128 PolarHBondContact OE1-OH 2.8Å; T123-Y128 WeakPolarHBondContact CA-O 3.41Å; T123-Y128 WeakPolarHBondContact CB-O 3.49Å; T123-Y128 PolarHBondContact OG1-O 2.98Å; D124-Y128 HydrophobicContact CB-CD1 4.47Å; D124-Y128 HydrophobicContact CB-CE1 4.04Å; D124-Y128 VanDerWaalsContact CG-CD1 3.46Å; D124-Y128 VanDerWaalsContact CG-CE1 3.46Å; D124-Y128 PolarHBondContact N-O 3.33Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.45Å; D124-Y128 PolarHBondContact OD1-N 3.14Å; D124-Y128 VanDerWaalsContact OD2-CD1 3.22Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.47Å; D124-Y128 WeakPolarHBondContact OD2-CE1 3.49Å; Y128-L130 HydrophobicContact CD2-CD2 4.34Å; Y128-L130 HydrophobicContact CD2-CG 4.12Å; Y128-L130 HydrophobicContact CE2-CD1 4.49Å; Y128-L130 HydrophobicContact CE2-CG 4.05Å; Y128-Y149 CarbonylContact C-O 3.59Å; Y128-Y149 WeakPolarHBondContact CA-O 3.34Å; Y128-Y149 WeakPolarHBondContact CB-O 3.43Å; Y128-L159 HydrophobicContact CD1-CD2 3.52Å; Y128-L159 HydrophobicContact CE1-CD2 4.18Å; Y128-L159 HydrophobicContact CG-CD2 3.75Å; Y128-K162 HydrophobicContact CD2-CD 4.07Å; Y128-K162 HydrophobicContact CE1-CD 4.37Å; Y128-K162 HydrophobicContact CE2-CD 3.4Å; Y128-K162 WeakPolarHBondContact OH-CE 3.44Å; Y128-K162 PolarHBondContact OH-NZ 3.48Å
129	A	98.8	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.5	163.8	0	0	0	0	0	111.1	F39 W43 E122 L131 Y149	F39-A129 HydrophobicContact CE2-CB 3.57Å; F39-A129 HydrophobicContact CZ-CB 4.31Å; W43-A129 HydrophobicContact CH2-CB 4.09Å; W43-A129 HydrophobicContact CZ2-CB 4.48Å; W43-A129 HydrophobicContact CZ3-CB 4.31Å; E122-A129 CarbonylContact O-C 3.59Å; E122-A129 WeakPolarHBondContact O-CA 3.43Å; A129-L131 HydrophobicContact CB-CD1 3.72Å; A129-Y149 PolarHBondContact N-O 3.32Å; A129-Y149 PolarHBondContact O-N 3.41Å
130	L	98.6	Very high	96.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.7	170.3	-57.4	-176	0	0	0	108.4	V121 E122 Y128 L148 K162 F163 F166	V121-L130 HydrophobicContact CB-CB 4.44Å; V121-L130 WeakPolarHBondContact CB-O 3.47Å; V121-L130 PolarHBondContact N-O 3.46Å; E122-L130 HydrophobicContact CB-CB 4.31Å; E122-L130 HydrophobicContact CB-CD1 4.19Å; E122-L130 HydrophobicContact CB-CG 4.38Å; E122-L130 PolarHBondContact N-O 2.99Å; E122-L130 PolarHBondContact O-N 3.07Å; Y128-L130 HydrophobicContact CD2-CD2 4.34Å; Y128-L130 HydrophobicContact CD2-CG 4.12Å; Y128-L130 HydrophobicContact CE2-CD1 4.49Å; Y128-L130 HydrophobicContact CE2-CG 4.05Å; L130-L148 HydrophobicContact CD2-CD1 3.83Å; L130-K162 HydrophobicContact CD1-CD 4.34Å; L130-K162 HydrophobicContact CD1-CG 4.18Å; L130-F163 HydrophobicContact CD2-CB 4.28Å; L130-F163 HydrophobicContact CD2-CD2 3.97Å; L130-F166 HydrophobicContact CB-CD1 4.4Å; L130-F166 HydrophobicContact CB-CE1 4.49Å; L130-F166 HydrophobicContact CD1-CB 3.86Å; L130-F166 HydrophobicContact CD1-CD1 4.24Å; L130-F166 HydrophobicContact CD1-CD2 4.41Å; L130-F166 HydrophobicContact CD1-CG 3.91Å
131	L	98.4	Very high	96.3	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.7	176.4	-76.6	69.7	0	0	0	109.7	F39 V118 S119 V120 A129 A146 T147 Y149	F39-L131 HydrophobicContact CZ-CD1 4.29Å; V118-L131 HydrophobicContact CG1-CD2 4.32Å; S119-L131 VanDerWaalsContact O-CA 3.28Å; S119-L131 WeakPolarHBondContact O-CA 3.01Å; V120-L131 HydrophobicContact CG2-CG 4.39Å; A129-L131 HydrophobicContact CB-CD1 3.72Å; L131-A146 CarbonylContact O-C 3.4Å; L131-A146 WeakPolarHBondContact O-CA 3.01Å; L131-T147 PolarHBondContact N-O 3.08Å; L131-T147 PolarHBondContact O-N 2.78Å; L131-Y149 HydrophobicContact CD1-CD2 3.75Å; L131-Y149 HydrophobicContact CD2-CD2 3.97Å; L131-Y149 HydrophobicContact CD2-CE2 3.91Å; L131-Y149 HydrophobicContact CG-CD2 4.49Å
132	Y	97.9	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	170.5	-167.9	-99.2	0	0	0	109.7	V28 V118 S119 Q134 R144 M145 F166 Q170 F172	V28-Y132 HydrophobicContact CB-CD1 4Å; V28-Y132 HydrophobicContact CB-CG 4.26Å; V28-Y132 HydrophobicContact CG1-CD1 3.85Å; V28-Y132 HydrophobicContact CG1-CG 4.25Å; V28-Y132 HydrophobicContact CG2-CD1 4.35Å; V28-Y132 HydrophobicContact CG2-CG 4.1Å; V118-Y132 WeakPolarHBondContact CA-O 3.48Å; S119-Y132 PolarHBondContact N-O 3.3Å; S119-Y132 PolarHBondContact O-N 3.29Å; Y132-Q134 HydrophobicContact CE1-CB 4.03Å; Y132-Q134 HydrophobicContact CE1-CG 4.26Å; Y132-R144 WeakPolarHBondContact OH-CD 3.4Å; Y132-M145 CarbonylContact C-O 3.49Å; Y132-M145 WeakPolarHBondContact CA-O 3.13Å; Y132-F166 HydrophobicContact CD2-CZ 4.06Å; Y132-Q170 HydrophobicContact CD2-CG 4.24Å; Y132-Q170 HydrophobicContact CE2-CB 4.07Å; Y132-Q170 HydrophobicContact CE2-CG 4.01Å; Y132-F172 AromaticContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CZ 4.27Å
133	S	96.8	Very high	95.9	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.9	176.8	-52.2	0	0	0	0	110	S117 R144 M145	S117-S133 WeakPolarHBondContact O-CA 3.11Å; S133-R144 CarbonylContact O-C 3.58Å; S133-R144 WeakPolarHBondContact O-CA 3.49Å; S133-M145 PolarHBondContact N-O 2.91Å; S133-M145 PolarHBondContact O-N 3.22Å
134	Q	95.8	Very high	95.8	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	173.6	64.8	178.3	30.9	0	0	110.8	Y116 S117 Y132 F143 R144	Y116-Q134 CarbonylContact C-O 3.56Å; Y116-Q134 WeakPolarHBondContact CA-O 3.38Å; Y116-Q134 WeakPolarHBondContact CB-O 3.49Å; S117-Q134 PolarHBondContact N-O 3Å; S117-Q134 PolarHBondContact O-N 3.16Å; S117-Q134 VanDerWaalsContact O-N 3.08Å; S117-Q134 WeakPolarHBondContact OG-CG 3.49Å; S117-Q134 PolarHBondContact OG-O 3.32Å; Y132-Q134 HydrophobicContact CE1-CB 4.03Å; Y132-Q134 HydrophobicContact CE1-CG 4.26Å; Q134-F143 CarbonylContact C-O 3.47Å; Q134-F143 WeakPolarHBondContact CA-O 3.41Å; Q134-R144 HydrophobicContact CB-CG 4.27Å
135	G	95	Very high	95.7	Very high	4 Å²	4	49.7 Å²	49.7	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.8	170.3	0	0	0	0	0	111	G140 F143	G135-G140 VanDerWaalsContact CA-O 3.28Å; G135-G140 WeakPolarHBondContact CA-O 3.44Å; G135-F143 PolarHBondContact N-O 2.88Å
136	S	92.8	Very high	95.7	Very high	47 Å²	47	48.2 Å²	48.2	33%	0.329	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-13.3	175.1	60.9	0	0	0	0	112.9	T115	T115-S136 PolarHBondContact O-N 2.9Å; T115-S136 PolarHBondContact O-OG 2.83Å
137	K	92.7	Very high	95.7	Very high	150 Å²	150	43.9 Å²	43.9	65%	0.652	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-162.2	139.2	175.9	-170.9	172.4	-178.6	170.6	0	111.6	S114 T115	S114-K137 CarbonylContact C-O 3.56Å; S114-K137 WeakPolarHBondContact CA-O 3.46Å; S114-K137 WeakPolarHBondContact CB-O 3.1Å; T115-K137 PolarHBondContact N-O 2.79Å; T115-K137 PolarHBondContact O-N 2.85Å
138	G	93.1	Very high	95.7	Very high	31 Å²	31	40.8 Å²	40.8	32%	0.32	22%	0.218	S	C	.	.	S	Bend	trans	94.4	-171.4	171.7	0	0	0	0	0	112.9	G140 E141	G138-G140 PolarHBondContact O-N 2.81Å; G138-E141 WeakPolarHBondContact O-CB 3.34Å; G138-E141 PolarHBondContact O-N 2.9Å
139	P	91.9	Very high	95.7	Very high	117 Å²	117	40.4 Å²	40.4	76%	0.76	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-173.4	25.7	-35.7	0	0	0	114.3	W112 S114	W112-P139 WeakPolarHBondContact O-CG 3.17Å; S114-P139 VanDerWaalsContact OG-CD 3.27Å; S114-P139 WeakPolarHBondContact OG-CD 3.48Å; S114-P139 WeakPolarHBondContact OG-CG 3.45Å
140	G	90.9	Very high	95.7	Very high	11 Å²	11	40.4 Å²	40.4	11%	0.113	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.5	175.2	0	0	0	0	0	115.2	S114 G135 G138 D142 F143	S114-G140 PolarHBondContact OG-N 3.2Å; G135-G140 VanDerWaalsContact CA-O 3.28Å; G135-G140 WeakPolarHBondContact CA-O 3.44Å; G138-G140 PolarHBondContact O-N 2.81Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.42Å; G140-F143 WeakPolarHBondContact O-CB 3.45Å; G140-F143 PolarHBondContact O-N 3.17Å
141	E	91.8	Very high	95.6	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.2	-177.5	-168.1	168.8	-174.2	0	0	113	G138 F143	G138-E141 WeakPolarHBondContact O-CB 3.34Å; G138-E141 PolarHBondContact O-N 2.9Å; E141-F143 PolarHBondContact O-N 2.8Å
142	D	93.2	Very high	95.5	Very high	139 Å²	139	46 Å²	46	74%	0.743	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.9	177.9	-65.8	-37.3	0	0	0	114.1	N51 G140 R144	N51-D142 PolarHBondContact ND2-O 2.84Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.42Å; D142-R144 PolarHBondContact O-N 3.21Å
143	F	94.9	Very high	95.4	Very high	40 Å²	40	48 Å²	48	18%	0.175	25%	0.254	C	S	.	.			trans	-65.9	133.6	-179.2	175.1	-101.4	0	0	0	110.7	S50 L55 Y116 Q134 G135 G140 E141 M145	S50-F143 WeakPolarHBondContact OG-CE2 3.38Å; L55-F143 HydrophobicContact CD2-CE2 3.53Å; L55-F143 HydrophobicContact CD2-CZ 3.56Å; Y116-F143 HydrophobicContact CD1-CB 4.44Å; Y116-F143 AromaticContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CD1 3.62Å; Y116-F143 HydrophobicContact CD1-CE1 4.29Å; Y116-F143 HydrophobicContact CD1-CG 4.36Å; Y116-F143 HydrophobicContact CE1-CB 3.83Å; Y116-F143 AromaticContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CD1 3.55Å; Y116-F143 HydrophobicContact CE1-CE1 4.35Å; Y116-F143 AromaticContact CE1-CG 3.87Å; Y116-F143 HydrophobicContact CE1-CG 3.87Å; Q134-F143 CarbonylContact C-O 3.47Å; Q134-F143 WeakPolarHBondContact CA-O 3.41Å; G135-F143 PolarHBondContact N-O 2.88Å; G140-F143 WeakPolarHBondContact O-CB 3.45Å; G140-F143 PolarHBondContact O-N 3.17Å; E141-F143 PolarHBondContact O-N 2.8Å; F143-M145 HydrophobicContact CE1-CB 3.71Å; F143-M145 HydrophobicContact CE2-CB 4.4Å; F143-M145 HydrophobicContact CZ-CB 3.51Å; F143-M145 HydrophobicContact CZ-CG 4.29Å; F143-M145 HydrophobicContact CZ-SD 4.03Å
144	R	96.5	Very high	95.3	Very high	89 Å²	89	53.1 Å²	53.1	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.4	172.3	-60.4	-177.5	-60.8	169.2	2.9	110.5	S50 N51 Y132 S133 Q134 D142 F172	S50-R144 VanDerWaalsContact CA-O 3.26Å; S50-R144 WeakPolarHBondContact CA-O 3.37Å; S50-R144 WeakPolarHBondContact CB-O 3.37Å; S50-R144 PolarHBondContact OG-O 3.48Å; N51-R144 PolarHBondContact N-O 2.88Å; N51-R144 PolarHBondContact OD1-N 2.94Å; N51-R144 PolarHBondContact OD1-O 2.88Å; Y132-R144 WeakPolarHBondContact OH-CD 3.4Å; S133-R144 CarbonylContact O-C 3.58Å; S133-R144 WeakPolarHBondContact O-CA 3.49Å; Q134-R144 HydrophobicContact CB-CG 4.27Å; D142-R144 PolarHBondContact O-N 3.21Å; R144-F172 HydrophobicContact CB-CE1 4.29Å; R144-F172 HydrophobicContact CB-CZ 3.97Å
145	M	97	Very high	95.3	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	132.3	179	-178.3	-179	71.6	0	0	112	L48 A49 L55 Y132 S133 F143	L48-M145 HydrophobicContact CD1-CG 4.31Å; L48-M145 HydrophobicContact CD1-SD 3.73Å; L48-M145 HydrophobicContact CG-CG 4.23Å; L48-M145 HydrophobicContact CG-SD 4.3Å; A49-M145 CarbonylContact O-C 3.53Å; A49-M145 WeakPolarHBondContact O-CA 3.43Å; A49-M145 WeakPolarHBondContact O-CG 3.25Å; L55-M145 HydrophobicContact CD2-SD 3.71Å; Y132-M145 CarbonylContact C-O 3.49Å; Y132-M145 WeakPolarHBondContact CA-O 3.13Å; S133-M145 PolarHBondContact N-O 2.91Å; S133-M145 PolarHBondContact O-N 3.22Å; F143-M145 HydrophobicContact CE1-CB 3.71Å; F143-M145 HydrophobicContact CE2-CB 4.4Å; F143-M145 HydrophobicContact CZ-CB 3.51Å; F143-M145 HydrophobicContact CZ-CG 4.29Å; F143-M145 HydrophobicContact CZ-SD 4.03Å
146	A	97.9	Very high	95.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.9	164.5	0	0	0	0	0	109.6	L48 A49 L131 F163 F166 F172	L48-A146 CarbonylContact C-O 3.57Å; L48-A146 WeakPolarHBondContact CA-O 3.29Å; A49-A146 HydrophobicContact CB-CB 4.28Å; A49-A146 PolarHBondContact N-O 2.7Å; A49-A146 PolarHBondContact O-N 2.88Å; L131-A146 CarbonylContact O-C 3.4Å; L131-A146 WeakPolarHBondContact O-CA 3.01Å; A146-F163 HydrophobicContact CB-CE2 3.96Å; A146-F163 HydrophobicContact CB-CZ 4.4Å; A146-F166 HydrophobicContact CB-CD1 4.16Å; A146-F166 HydrophobicContact CB-CE1 3.67Å; A146-F172 HydrophobicContact CB-CD2 4.3Å; A146-F172 HydrophobicContact CB-CE2 3.81Å
147	T	98	Very high	95.7	Very high	15 Å²	15	60.1 Å²	60.1	9%	0.092	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.6	178.2	-60.6	0	0	0	0	110.5	G47 L131 Y149	G47-T147 WeakPolarHBondContact O-CA 3.39Å; L131-T147 PolarHBondContact N-O 3.08Å; L131-T147 PolarHBondContact O-N 2.78Å; T147-Y149 HydrophobicContact CG2-CD2 4.45Å; T147-Y149 HydrophobicContact CG2-CE2 4.41Å
148	L	98.4	Very high	95.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.4	166.4	173.6	65.2	0	0	0	109.1	A46 G47 L130 P155 F163 F179	A46-L148 HydrophobicContact CB-CD2 4.11Å; A46-L148 HydrophobicContact CB-CG 4.28Å; A46-L148 PolarHBondContact N-O 2.99Å; G47-L148 PolarHBondContact N-O 3.28Å; G47-L148 PolarHBondContact O-N 3.19Å; L130-L148 HydrophobicContact CD2-CD1 3.83Å; L148-P155 HydrophobicContact CD2-CG 4.42Å; L148-F163 HydrophobicContact CB-CB 4.1Å; L148-F163 HydrophobicContact CB-CD1 4.1Å; L148-F163 HydrophobicContact CB-CD2 3.62Å; L148-F163 HydrophobicContact CB-CE1 4.43Å; L148-F163 HydrophobicContact CB-CE2 3.98Å; L148-F163 HydrophobicContact CB-CG 3.67Å; L148-F163 HydrophobicContact CB-CZ 4.37Å; L148-F163 HydrophobicContact CD1-CB 4.37Å; L148-F163 HydrophobicContact CD2-CB 3.94Å; L148-F163 HydrophobicContact CD2-CG 4.25Å; L148-F163 HydrophobicContact CG-CB 4.36Å; L148-F163 HydrophobicContact CG-CG 4.44Å; L148-F179 HydrophobicContact CD2-CE1 4.47Å
149	Y	98.6	Very high	96.1	Very high	11 Å²	11	58.2 Å²	58.2	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.1	161.5	-86.3	-52.2	0	0	0	110.4	W43 F44 S45 S67 L79 Y128 A129 L131 T147	W43-Y149 HydrophobicContact CB-CD1 3.58Å; W43-Y149 HydrophobicContact CB-CE1 4.07Å; W43-Y149 HydrophobicContact CB-CG 3.99Å; W43-Y149 HydrophobicContact CG-CD1 4.41Å; W43-Y149 HydrophobicContact CG-CG 4.36Å; F44-Y149 WeakPolarHBondContact O-CA 3.48Å; F44-Y149 WeakPolarHBondContact O-CD1 3.41Å; S45-Y149 WeakPolarHBondContact OG-CE1 3.26Å; S67-Y149 WeakPolarHBondContact OG-CE1 3.4Å; S67-Y149 PolarHBondContact OG-OH 3.11Å; L79-Y149 WeakPolarHBondContact CD1-OH 3.5Å; Y128-Y149 CarbonylContact C-O 3.59Å; Y128-Y149 WeakPolarHBondContact CA-O 3.34Å; Y128-Y149 WeakPolarHBondContact CB-O 3.43Å; A129-Y149 PolarHBondContact N-O 3.32Å; A129-Y149 PolarHBondContact O-N 3.41Å; L131-Y149 HydrophobicContact CD1-CD2 3.75Å; L131-Y149 HydrophobicContact CD2-CD2 3.97Å; L131-Y149 HydrophobicContact CD2-CE2 3.91Å; L131-Y149 HydrophobicContact CG-CD2 4.49Å; T147-Y149 HydrophobicContact CG2-CD2 4.45Å; T147-Y149 HydrophobicContact CG2-CE2 4.41Å
150	S	98.5	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.1	175.6	173.8	0	0	0	0	110.1	W43 F44 Q127 T152	W43-S150 CarbonylContact C-O 3.54Å; F44-S150 WeakPolarHBondContact CB-O 3.48Å; F44-S150 WeakPolarHBondContact CD2-O 3.42Å; F44-S150 PolarHBondContact N-O 3Å; F44-S150 PolarHBondContact O-N 2.65Å; Q127-S150 CarbonylContact O-C 3.52Å; Q127-S150 WeakPolarHBondContact O-CA 3.27Å; S150-T152 WeakPolarHBondContact CB-O 3.48Å; S150-T152 PolarHBondContact O-N 3.25Å; S150-T152 PolarHBondContact OG-N 2.82Å; S150-T152 VanDerWaalsContact OG-N 3.12Å; S150-T152 PolarHBondContact OG-O 2.85Å; S150-T152 PolarHBondContact OG-OG1 2.8Å
151	R	98	Very high	96.8	Very high	57 Å²	57	62.3 Å²	62.3	22%	0.215	31%	0.306	C	S	.	.	S	Bend	trans	-73.8	-13.6	171.4	-69.6	-57.9	-166.5	171.1	2.7	112.7	K38 L40 R42 W43 F44 Y125 D126 Q127	K38-R151 PolarHBondContact O-NH2 3.12Å; K38-R151 VanDerWaalsContact O-NH2 3.12Å; L40-R151 PolarHBondContact O-NH1 2.94Å; L40-R151 PolarHBondContact O-NH2 3.25Å; R42-R151 VanDerWaalsContact O-CD 3.22Å; R42-R151 WeakPolarHBondContact O-CD 3.16Å; R42-R151 PolarHBondContact O-NH1 3.22Å; W43-R151 HydrophobicContact CE3-CG 4.01Å; W43-R151 HydrophobicContact CH2-CG 4.04Å; W43-R151 VanDerWaalsContact CZ2-NE 3.26Å; W43-R151 HydrophobicContact CZ3-CG 3.66Å; F44-R151 WeakPolarHBondContact CD2-O 3.5Å; F44-R151 VanDerWaalsContact CE2-O 3.25Å; F44-R151 WeakPolarHBondContact CE2-O 3.13Å; Y125-R151 VanDerWaalsContact O-CZ 3.31Å; Y125-R151 PolarHBondContact O-NE 2.72Å; Y125-R151 PolarHBondContact O-NH2 3.18Å; D126-R151 VanDerWaalsContact C-CG 3.45Å; D126-R151 WeakPolarHBondContact O-CB 3.28Å; D126-R151 WeakPolarHBondContact O-CG 3.13Å; Q127-R151 PolarHBondContact O-N 2.89Å
152	T	96.6	Very high	97.1	Very high	72 Å²	72	60.2 Å²	60.2	44%	0.442	30%	0.295	S	S	.	.	S	Bend	trans	-116.6	150.1	172.3	67.5	0	0	0	0	111.4	S150 T154	S150-T152 WeakPolarHBondContact CB-O 3.48Å; S150-T152 PolarHBondContact O-N 3.25Å; S150-T152 PolarHBondContact OG-N 2.82Å; S150-T152 VanDerWaalsContact OG-N 3.12Å; S150-T152 PolarHBondContact OG-O 2.85Å; S150-T152 PolarHBondContact OG-OG1 2.8Å; T152-T154 PolarHBondContact O-N 2.97Å; T152-T154 PolarHBondContact OG1-O 3.15Å
153	Q	94.8	Very high	97.3	Very high	42 Å²	42	53.6 Å²	53.6	20%	0.196	26%	0.26	C	S	.	.	S	Bend	trans	-63	-32.5	175	-74.2	-177.2	87.9	0	0	112.3	F44 P155 Q182 T183 D184 M187	F44-Q153 HydrophobicContact CD1-CB 4.41Å; F44-Q153 HydrophobicContact CD1-CG 3.29Å; F44-Q153 HydrophobicContact CD2-CG 4.1Å; F44-Q153 HydrophobicContact CE1-CG 3.32Å; F44-Q153 HydrophobicContact CE2-CG 4.09Å; F44-Q153 HydrophobicContact CG-CB 4.43Å; F44-Q153 HydrophobicContact CG-CG 3.7Å; F44-Q153 HydrophobicContact CZ-CG 3.72Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å; Q153-Q182 HydrophobicContact CB-CB 4.4Å; Q153-Q182 HydrophobicContact CB-CG 4.33Å; Q153-Q182 WeakPolarHBondContact O-CG 3.26Å; Q153-T183 PolarHBondContact OE1-O 2.94Å; Q153-D184 PolarHBondContact NE2-OD1 3.26Å; Q153-D184 PolarHBondContact OE1-OD1 2.8Å; Q153-M187 HydrophobicContact CG-CE 4.47Å
154	T	94.8	Very high	97.5	Very high	116 Å²	116	53.4 Å²	53.4	71%	0.712	26%	0.262	S	S	*	.	S	Bend	trans	-110.5	81.9	-180	46.3	0	0	0	0	109.7	T152	T152-T154 PolarHBondContact O-N 2.97Å; T152-T154 PolarHBondContact OG1-O 3.15Å
155	P	96.3	Very high	97.6	Very high	12 Å²	12	52 Å²	52	8%	0.078	27%	0.27	C	S	.	.			trans	-61.3	145.2	174.5	26	-34.3	0	0	0	110.3	A46 L148 Q153 L159 K160	A46-P155 HydrophobicContact CB-CG 3.67Å; L148-P155 HydrophobicContact CD2-CG 4.42Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-L159 HydrophobicContact CB-CB 4.04Å; P155-L159 HydrophobicContact CB-CD1 3.92Å; P155-K160 HydrophobicContact CG-CG 4.28Å
156	R	97.3	Very high	97.6	Very high	156 Å²	156	51.7 Å²	51.7	59%	0.589	27%	0.268	S	S	*	.			trans	-62.2	161.2	176.7	-49.4	-176	-176.2	127.5	3.2	111.1	E158 L159 K160	R156-E158 WeakPolarHBondContact CB-OE2 3.26Å; R156-E158 PolarHBondContact O-N 2.91Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-L159 VanDerWaalsContact O-N 3.14Å; R156-K160 PolarHBondContact O-N 3.14Å
157	A	97.6	Very high	97.6	Very high	57 Å²	57	51.7 Å²	51.7	47%	0.471	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-38.5	-177	0	0	0	0	0	112	L159 K160 E161	A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.49Å; A157-K160 WeakPolarHBondContact O-CB 3.41Å; A157-K160 PolarHBondContact O-N 2.83Å; A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 2.84Å
158	E	97.9	Very high	97.6	Very high	121 Å²	121	55.8 Å²	55.8	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-35.9	-179.3	-54	78.9	-172.6	0	0	111.7	R156 K162	R156-E158 WeakPolarHBondContact CB-OE2 3.26Å; R156-E158 PolarHBondContact O-N 2.91Å; E158-K162 VanDerWaalsContact O-CB 3.3Å; E158-K162 WeakPolarHBondContact O-CB 3.41Å; E158-K162 PolarHBondContact O-N 3.39Å
159	L	98	Very high	97.5	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-35	176.3	-63.9	-178.4	0	0	0	111.9	Y128 P155 R156 A157 F163	Y128-L159 HydrophobicContact CD1-CD2 3.52Å; Y128-L159 HydrophobicContact CE1-CD2 4.18Å; Y128-L159 HydrophobicContact CG-CD2 3.75Å; P155-L159 HydrophobicContact CB-CB 4.04Å; P155-L159 HydrophobicContact CB-CD1 3.92Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-L159 VanDerWaalsContact O-N 3.14Å; A157-L159 VanDerWaalsContact C-N 3.28Å; A157-L159 PolarHBondContact O-N 3.49Å; L159-F163 PolarHBondContact O-N 2.68Å
160	K	98	Very high	97.3	Very high	82 Å²	82	61.4 Å²	61.4	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-39.5	175.3	-65.3	-174.1	-179.2	179.4	0	111.7	P155 R156 A157 F163 T164 F179	P155-K160 HydrophobicContact CG-CG 4.28Å; R156-K160 PolarHBondContact O-N 3.14Å; A157-K160 WeakPolarHBondContact O-CB 3.41Å; A157-K160 PolarHBondContact O-N 2.83Å; K160-F163 PolarHBondContact O-N 3.02Å; K160-T164 WeakPolarHBondContact O-CB 3.3Å; K160-T164 PolarHBondContact O-N 3.34Å; K160-T164 PolarHBondContact O-OG1 2.91Å; K160-F179 HydrophobicContact CB-CE1 3.66Å; K160-F179 HydrophobicContact CB-CE2 4.47Å; K160-F179 HydrophobicContact CB-CZ 3.57Å; K160-F179 HydrophobicContact CD-CD1 4.19Å; K160-F179 HydrophobicContact CD-CE1 3.99Å; K160-F179 HydrophobicContact CD-CZ 4.21Å; K160-F179 HydrophobicContact CG-CD1 4.12Å; K160-F179 HydrophobicContact CG-CE1 3.55Å; K160-F179 HydrophobicContact CG-CZ 3.95Å
161	E	98.2	Very high	97.2	Very high	133 Å²	133	64 Å²	64	62%	0.621	35%	0.351	S	S	*	.	H	α-helix	trans	-64.8	-46	173.8	-72.9	173.4	-172.1	0	0	111	A157 F163 T164 A165	A157-E161 WeakPolarHBondContact O-CG 3.28Å; A157-E161 PolarHBondContact O-N 2.84Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 3.23Å; E161-T164 PolarHBondContact O-N 3.3Å; E161-T164 VanDerWaalsContact O-N 3.16Å; E161-A165 WeakPolarHBondContact O-CB 3.31Å; E161-A165 PolarHBondContact O-N 3.19Å
162	K	98.3	Very high	97.2	Very high	72 Å²	72	61.8 Å²	61.8	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-54.9	-47.6	173.3	179.5	-175	-77.9	-78.7	0	111.6	E122 Y128 L130 E158 A165 F166	E122-K162 IonicContact OE1-NZ 2.74Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-K162 IonicContact OE2-NZ 3.94Å; Y128-K162 HydrophobicContact CD2-CD 4.07Å; Y128-K162 HydrophobicContact CE1-CD 4.37Å; Y128-K162 HydrophobicContact CE2-CD 3.4Å; Y128-K162 WeakPolarHBondContact OH-CE 3.44Å; Y128-K162 PolarHBondContact OH-NZ 3.48Å; L130-K162 HydrophobicContact CD1-CD 4.34Å; L130-K162 HydrophobicContact CD1-CG 4.18Å; E158-K162 VanDerWaalsContact O-CB 3.3Å; E158-K162 WeakPolarHBondContact O-CB 3.41Å; E158-K162 PolarHBondContact O-N 3.39Å; K162-A165 PolarHBondContact O-N 3.3Å; K162-F166 WeakPolarHBondContact O-CB 3.26Å; K162-F166 PolarHBondContact O-N 3.29Å
163	F	98.4	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-44	176.7	177.3	-119.1	0	0	0	112.4	A49 L130 A146 L148 L159 K160 E161 A165 F166 C167 I177 F179	A49-F163 HydrophobicContact CB-CZ 4.45Å; L130-F163 HydrophobicContact CD2-CB 4.28Å; L130-F163 HydrophobicContact CD2-CD2 3.97Å; A146-F163 HydrophobicContact CB-CE2 3.96Å; A146-F163 HydrophobicContact CB-CZ 4.4Å; L148-F163 HydrophobicContact CB-CB 4.1Å; L148-F163 HydrophobicContact CB-CD1 4.1Å; L148-F163 HydrophobicContact CB-CD2 3.62Å; L148-F163 HydrophobicContact CB-CE1 4.43Å; L148-F163 HydrophobicContact CB-CE2 3.98Å; L148-F163 HydrophobicContact CB-CG 3.67Å; L148-F163 HydrophobicContact CB-CZ 4.37Å; L148-F163 HydrophobicContact CD1-CB 4.37Å; L148-F163 HydrophobicContact CD2-CB 3.94Å; L148-F163 HydrophobicContact CD2-CG 4.25Å; L148-F163 HydrophobicContact CG-CB 4.36Å; L148-F163 HydrophobicContact CG-CG 4.44Å; L159-F163 PolarHBondContact O-N 2.68Å; K160-F163 PolarHBondContact O-N 3.02Å; E161-F163 VanDerWaalsContact C-N 3.33Å; E161-F163 PolarHBondContact O-N 3.23Å; F163-A165 PolarHBondContact O-N 2.53Å; F163-F166 HydrophobicContact CD2-CD1 4.47Å; F163-F166 PolarHBondContact O-N 3.24Å; F163-C167 WeakPolarHBondContact CE2-SG 3.28Å; F163-C167 WeakPolarHBondContact CZ-SG 3.08Å; F163-C167 WeakPolarHBondContact O-CB 3.36Å; F163-C167 PolarHBondContact O-N 3.03Å; F163-C167 PolarHBondContact O-SG 2.89Å; F163-I177 HydrophobicContact CD1-CG2 4.21Å; F163-I177 HydrophobicContact CE1-CG2 3.87Å; F163-F179 AromaticContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å
164	T	98.2	Very high	97	Very high	37 Å²	37	66.5 Å²	66.5	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-45.2	177.6	-57.7	0	0	0	0	111.4	K160 E161 C167 K168 I177	K160-T164 WeakPolarHBondContact O-CB 3.3Å; K160-T164 PolarHBondContact O-N 3.34Å; K160-T164 PolarHBondContact O-OG1 2.91Å; E161-T164 PolarHBondContact O-N 3.3Å; E161-T164 VanDerWaalsContact O-N 3.16Å; T164-C167 PolarHBondContact O-N 3.44Å; T164-K168 HydrophobicContact CG2-CD 4.36Å; T164-K168 WeakPolarHBondContact O-CG 3.32Å; T164-K168 PolarHBondContact O-N 2.72Å; T164-I177 HydrophobicContact CG2-CD1 4.11Å
165	A	98.2	Very high	96.9	Very high	60 Å²	60	66.7 Å²	66.7	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177	0	0	0	0	0	111.7	E161 K162 F163 K168 A169	E161-A165 WeakPolarHBondContact O-CB 3.31Å; E161-A165 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.3Å; F163-A165 PolarHBondContact O-N 2.53Å; A165-K168 PolarHBondContact O-N 3.12Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.71Å
166	F	97.8	Very high	96.9	Very high	24 Å²	24	66.7 Å²	66.7	11%	0.105	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-48.1	173.7	170.5	-112.6	0	0	0	112	V28 V121 L130 Y132 A146 K162 F163 K168 A169 Q170	V28-F166 HydrophobicContact CG2-CE2 4.44Å; V28-F166 HydrophobicContact CG2-CZ 4.49Å; V121-F166 HydrophobicContact CB-CE2 4.4Å; V121-F166 HydrophobicContact CB-CZ 4.38Å; V121-F166 HydrophobicContact CG1-CE2 3.81Å; V121-F166 HydrophobicContact CG1-CZ 4.27Å; V121-F166 HydrophobicContact CG2-CE2 4.34Å; V121-F166 HydrophobicContact CG2-CZ 3.98Å; L130-F166 HydrophobicContact CB-CD1 4.4Å; L130-F166 HydrophobicContact CB-CE1 4.49Å; L130-F166 HydrophobicContact CD1-CB 3.86Å; L130-F166 HydrophobicContact CD1-CD1 4.24Å; L130-F166 HydrophobicContact CD1-CD2 4.41Å; L130-F166 HydrophobicContact CD1-CG 3.91Å; Y132-F166 HydrophobicContact CD2-CZ 4.06Å; A146-F166 HydrophobicContact CB-CD1 4.16Å; A146-F166 HydrophobicContact CB-CE1 3.67Å; K162-F166 WeakPolarHBondContact O-CB 3.26Å; K162-F166 PolarHBondContact O-N 3.29Å; F163-F166 HydrophobicContact CD2-CD1 4.47Å; F163-F166 PolarHBondContact O-N 3.24Å; F166-K168 PolarHBondContact O-N 2.99Å; F166-A169 PolarHBondContact O-N 2.9Å; F166-Q170 HydrophobicContact CD2-CG 4.17Å; F166-Q170 HydrophobicContact CE1-CG 4.41Å; F166-Q170 HydrophobicContact CE2-CG 3.65Å; F166-Q170 HydrophobicContact CZ-CG 3.78Å; F166-Q170 WeakPolarHBondContact O-CG 3.34Å; F166-Q170 PolarHBondContact O-N 3.32Å; F166-Q170 VanDerWaalsContact O-N 3.07Å
167	C	97.5	Very high	96.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-45.4	179.2	-68.4	0	0	0	0	112.1	A49 F163 T164 A169 Q170 G171 F172 I177	A49-C167 HydrophobicContact CB-CB 4.23Å; F163-C167 WeakPolarHBondContact CE2-SG 3.28Å; F163-C167 WeakPolarHBondContact CZ-SG 3.08Å; F163-C167 WeakPolarHBondContact O-CB 3.36Å; F163-C167 PolarHBondContact O-N 3.03Å; F163-C167 PolarHBondContact O-SG 2.89Å; T164-C167 PolarHBondContact O-N 3.44Å; C167-A169 VanDerWaalsContact C-N 3.34Å; C167-A169 PolarHBondContact O-N 2.92Å; C167-Q170 CarbonylContact O-C 3.51Å; C167-Q170 PolarHBondContact O-N 3.2Å; C167-Q170 VanDerWaalsContact O-N 3.11Å; C167-G171 PolarHBondContact O-N 3.34Å; C167-F172 HydrophobicContact CB-CB 4.09Å; C167-F172 HydrophobicContact CB-CD2 4.19Å; C167-F172 WeakPolarHBondContact O-CB 3.09Å; C167-F172 WeakPolarHBondContact O-CD2 3.47Å; C167-F172 PolarHBondContact O-N 3.15Å; C167-I177 HydrophobicContact CB-CD1 3.46Å; C167-I177 VanDerWaalsContact CB-CD1 3.46Å; C167-I177 HydrophobicContact CB-CG1 3.72Å
168	K	97.3	Very high	96.7	Very high	101 Å²	101	59.5 Å²	59.5	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-41.7	176.6	-73.8	-179.5	175.2	-173.8	0	111.9	T164 A165 F166 Q170 G171 E174 I177	T164-K168 HydrophobicContact CG2-CD 4.36Å; T164-K168 WeakPolarHBondContact O-CG 3.32Å; T164-K168 PolarHBondContact O-N 2.72Å; A165-K168 PolarHBondContact O-N 3.12Å; F166-K168 PolarHBondContact O-N 2.99Å; K168-Q170 PolarHBondContact O-N 3.21Å; K168-G171 PolarHBondContact O-N 3.42Å; K168-E174 VanDerWaalsContact CE-OE1 3.26Å; K168-E174 WeakPolarHBondContact CE-OE1 3.39Å; K168-E174 IonicContact NZ-OE1 2.68Å; K168-E174 PolarHBondContact NZ-OE1 3.2Å; K168-I177 HydrophobicContact CG-CD1 4.44Å
169	A	96.8	Very high	96.5	Very high	81 Å²	81	57.8 Å²	57.8	67%	0.669	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-28.7	175.8	0	0	0	0	0	112.8	A165 F166 C167 G171	A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.71Å; F166-A169 PolarHBondContact O-N 2.9Å; C167-A169 VanDerWaalsContact C-N 3.34Å; C167-A169 PolarHBondContact O-N 2.92Å; A169-G171 VanDerWaalsContact C-N 3.28Å
170	Q	95.9	Very high	96.3	Very high	48 Å²	48	57.5 Å²	57.5	22%	0.224	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.4	173.8	-62.2	-57	-45.8	0	0	113.7	Y132 F166 C167 K168 F172	Y132-Q170 HydrophobicContact CD2-CG 4.24Å; Y132-Q170 HydrophobicContact CE2-CB 4.07Å; Y132-Q170 HydrophobicContact CE2-CG 4.01Å; F166-Q170 HydrophobicContact CD2-CG 4.17Å; F166-Q170 HydrophobicContact CE1-CG 4.41Å; F166-Q170 HydrophobicContact CE2-CG 3.65Å; F166-Q170 HydrophobicContact CZ-CG 3.78Å; F166-Q170 WeakPolarHBondContact O-CG 3.34Å; F166-Q170 PolarHBondContact O-N 3.32Å; F166-Q170 VanDerWaalsContact O-N 3.07Å; C167-Q170 CarbonylContact O-C 3.51Å; C167-Q170 PolarHBondContact O-N 3.2Å; C167-Q170 VanDerWaalsContact O-N 3.11Å; K168-Q170 PolarHBondContact O-N 3.21Å; Q170-F172 HydrophobicContact CB-CD2 3.93Å; Q170-F172 HydrophobicContact CB-CE2 3.99Å
171	G	95.8	Very high	96	Very high	54 Å²	54	56.3 Å²	56.3	56%	0.557	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	14.9	177.8	0	0	0	0	0	115	C167 K168 A169	C167-G171 PolarHBondContact O-N 3.34Å; K168-G171 PolarHBondContact O-N 3.42Å; A169-G171 VanDerWaalsContact C-N 3.28Å
172	F	96.5	Very high	95.6	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	30%	0.3	C	S	.	.			trans	-76.3	132.9	168.3	-65.3	-71.3	0	0	0	110.1	A49 Y132 R144 A146 C167 Q170 I177	A49-F172 HydrophobicContact CB-CB 4.13Å; A49-F172 HydrophobicContact CB-CD1 4.09Å; A49-F172 HydrophobicContact CB-CD2 4.02Å; A49-F172 HydrophobicContact CB-CE2 4.45Å; A49-F172 HydrophobicContact CB-CG 3.82Å; Y132-F172 AromaticContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CE2 3.92Å; Y132-F172 HydrophobicContact CE2-CZ 4.27Å; R144-F172 HydrophobicContact CB-CE1 4.29Å; R144-F172 HydrophobicContact CB-CZ 3.97Å; A146-F172 HydrophobicContact CB-CD2 4.3Å; A146-F172 HydrophobicContact CB-CE2 3.81Å; C167-F172 HydrophobicContact CB-CB 4.09Å; C167-F172 HydrophobicContact CB-CD2 4.19Å; C167-F172 WeakPolarHBondContact O-CB 3.09Å; C167-F172 WeakPolarHBondContact O-CD2 3.47Å; C167-F172 PolarHBondContact O-N 3.15Å; Q170-F172 HydrophobicContact CB-CD2 3.93Å; Q170-F172 HydrophobicContact CB-CE2 3.99Å; F172-I177 HydrophobicContact CB-CG1 4.44Å
173	T	95.3	Very high	95.3	Very high	78 Å²	78	50 Å²	50	48%	0.479	29%	0.292	S	S	.	.			trans	-79.6	157.1	175.2	52.3	0	0	0	0	110.8	D175 T176	T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 WeakPolarHBondContact CB-OD1 3.14Å; T173-D175 PolarHBondContact O-N 2.96Å; T173-D175 PolarHBondContact OG1-OD1 3.38Å; T173-T176 PolarHBondContact N-OG1 3.39Å; T173-T176 PolarHBondContact O-N 2.93Å; T173-T176 PolarHBondContact O-OG1 3.36Å; T173-T176 VanDerWaalsContact OG1-CG2 3.32Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.49Å
174	E	93.5	Very high	94.9	Very high	136 Å²	136	55.9 Å²	55.9	64%	0.636	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.6	-175.1	-66.9	-173.5	167.6	0	0	113.5	K168 T176 I177	K168-E174 VanDerWaalsContact CE-OE1 3.26Å; K168-E174 WeakPolarHBondContact CE-OE1 3.39Å; K168-E174 IonicContact NZ-OE1 2.68Å; K168-E174 PolarHBondContact NZ-OE1 3.2Å; E174-T176 PolarHBondContact O-N 3.16Å; E174-I177 PolarHBondContact O-N 3.01Å
175	D	92.8	Very high	94.5	Very high	120 Å²	120	59.7 Å²	59.7	64%	0.642	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.5	177.9	67.9	-47.6	0	0	0	113.8	T173	T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 WeakPolarHBondContact CB-OD1 3.14Å; T173-D175 PolarHBondContact O-N 2.96Å; T173-D175 PolarHBondContact OG1-OD1 3.38Å
176	T	95.1	Very high	94	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.074	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.7	-9.3	175.8	67.5	0	0	0	0	113.3	A49 R56 T173 E174	A49-T176 VanDerWaalsContact CA-O 3.28Å; A49-T176 WeakPolarHBondContact CA-O 3.43Å; R56-T176 VanDerWaalsContact CD-O 3.26Å; R56-T176 WeakPolarHBondContact CD-O 3.27Å; T173-T176 PolarHBondContact N-OG1 3.39Å; T173-T176 PolarHBondContact O-N 2.93Å; T173-T176 PolarHBondContact O-OG1 3.36Å; T173-T176 VanDerWaalsContact OG1-CG2 3.32Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.49Å; E174-T176 PolarHBondContact O-N 3.16Å
177	I	95.8	Very high	93.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.6	179.2	-55.7	169.7	0	0	0	108.7	A49 F163 T164 C167 K168 F172 E174	A49-I177 HydrophobicContact CB-CB 4.48Å; A49-I177 HydrophobicContact CB-CG1 3.97Å; F163-I177 HydrophobicContact CD1-CG2 4.21Å; F163-I177 HydrophobicContact CE1-CG2 3.87Å; T164-I177 HydrophobicContact CG2-CD1 4.11Å; C167-I177 HydrophobicContact CB-CD1 3.46Å; C167-I177 VanDerWaalsContact CB-CD1 3.46Å; C167-I177 HydrophobicContact CB-CG1 3.72Å; K168-I177 HydrophobicContact CG-CD1 4.44Å; F172-I177 HydrophobicContact CB-CG1 4.44Å; E174-I177 PolarHBondContact O-N 3.01Å
178	V	94.5	Very high	92.6	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.5	-178.8	-61.5	0	0	0	0	111.3	G47 L48 L180	G47-V178 CarbonylContact C-O 3.58Å; G47-V178 WeakPolarHBondContact CA-O 3.48Å; L48-V178 HydrophobicContact CB-CG2 4.12Å; L48-V178 HydrophobicContact CD2-CG2 4.07Å; L48-V178 PolarHBondContact N-O 2.91Å; L48-V178 VanDerWaalsContact O-CG2 3.3Å; L48-V178 WeakPolarHBondContact O-CG2 3.14Å; L48-V178 PolarHBondContact O-N 2.96Å; V178-L180 HydrophobicContact CG2-CD2 4.11Å
179	F	94	Very high	90.8	Very high	85 Å²	85	67.5 Å²	67.5	37%	0.373	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	167	-66.4	-74.8	0	0	0	109	A46 L148 K160 F163	A46-F179 WeakPolarHBondContact O-CA 3.22Å; L148-F179 HydrophobicContact CD2-CE1 4.47Å; K160-F179 HydrophobicContact CB-CE1 3.66Å; K160-F179 HydrophobicContact CB-CE2 4.47Å; K160-F179 HydrophobicContact CB-CZ 3.57Å; K160-F179 HydrophobicContact CD-CD1 4.19Å; K160-F179 HydrophobicContact CD-CE1 3.99Å; K160-F179 HydrophobicContact CD-CZ 4.21Å; K160-F179 HydrophobicContact CG-CD1 4.12Å; K160-F179 HydrophobicContact CG-CE1 3.55Å; K160-F179 HydrophobicContact CG-CZ 3.95Å; F163-F179 AromaticContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CE1 3.98Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å
180	L	93.4	Very high	88.1	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.068	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-81.8	138.4	-168.9	-60.6	175.5	0	0	0	110.5	A46 L48 K59 M64 V178 Q182	A46-L180 PolarHBondContact O-N 2.83Å; L48-L180 HydrophobicContact CB-CD1 4.22Å; L48-L180 HydrophobicContact CB-CD2 4.33Å; L48-L180 HydrophobicContact CB-CG 4.38Å; K59-L180 HydrophobicContact CB-CD2 3.98Å; M64-L180 HydrophobicContact CG-CB 3.9Å; M64-L180 HydrophobicContact CG-CD1 3.79Å; M64-L180 HydrophobicContact CG-CG 4.45Å; M64-L180 HydrophobicContact SD-CD1 4.41Å; V178-L180 HydrophobicContact CG2-CD2 4.11Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-Q182 PolarHBondContact O-NE2 2.91Å
181	P	91.9	Very high	87.7	Confident	57 Å²	57	77.7 Å²	77.7	37%	0.37	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.6	134.3	174.7	27.6	-32.3	0	0	0	109.6	L62 S63 M64	L62-P181 VanDerWaalsContact O-CG 3.29Å; L62-P181 WeakPolarHBondContact O-CG 3.35Å; S63-P181 CarbonylContact C-O 3.57Å; S63-P181 WeakPolarHBondContact CA-O 3.49Å; M64-P181 PolarHBondContact N-O 2.87Å
182	Q	91.7	Very high	87.3	Confident	51 Å²	51	78.9 Å²	78.9	24%	0.238	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-99.3	160.1	179.5	-54.2	-62.1	-61.3	0	0	110.4	S45 M64 Q153 L180	S45-Q182 PolarHBondContact O-NE2 2.81Å; M64-Q182 WeakPolarHBondContact O-CA 3.3Å; Q153-Q182 HydrophobicContact CB-CB 4.4Å; Q153-Q182 HydrophobicContact CB-CG 4.33Å; Q153-Q182 WeakPolarHBondContact O-CG 3.26Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-Q182 PolarHBondContact O-NE2 2.91Å
183	T	90.2	Very high	86.7	Confident	22 Å²	22	82.7 Å²	82.7	14%	0.135	42%	0.424	C	S	.	.			trans	-148	137.8	171.1	-174.1	0	0	0	0	111.5	M64 C65 L84 Q153 K185 M187	M64-T183 PolarHBondContact O-N 2.71Å; C65-T183 HydrophobicContact CB-CG2 4.47Å; C65-T183 WeakPolarHBondContact SG-CG2 3.27Å; L84-T183 HydrophobicContact CB-CG2 4.07Å; Q153-T183 PolarHBondContact OE1-O 2.94Å; T183-K185 HydrophobicContact CG2-CB 4.29Å; T183-K185 PolarHBondContact O-N 3.44Å; T183-K185 PolarHBondContact OG1-N 2.98Å; T183-M187 WeakPolarHBondContact O-CE 3.42Å
184	D	90.8	Very high	86.2	Confident	124 Å²	124	83 Å²	83	66%	0.663	42%	0.421	S	S	*	.	S	Bend	trans	-74.3	-5.4	173.1	-62	-44.6	0	0	0	113.4	Q153 M187	Q153-D184 PolarHBondContact NE2-OD1 3.26Å; Q153-D184 PolarHBondContact OE1-OD1 2.8Å; D184-M187 WeakPolarHBondContact O-CG 3.43Å
185	K	90	Very high	85.8	Confident	117 Å²	117	79.7 Å²	79.7	51%	0.509	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	155.9	173.6	-64.2	-179.2	-180	179.1	0	110.4	C65 L84 T183 M187	C65-K185 WeakPolarHBondContact CB-O 2.99Å; C65-K185 PolarHBondContact SG-O 2.7Å; L84-K185 HydrophobicContact CD1-CD 4.44Å; L84-K185 HydrophobicContact CD2-CD 4.01Å; T183-K185 HydrophobicContact CG2-CB 4.29Å; T183-K185 PolarHBondContact O-N 3.44Å; T183-K185 PolarHBondContact OG1-N 2.98Å; K185-M187 VanDerWaalsContact C-N 3.28Å; K185-M187 PolarHBondContact O-N 3.25Å
186	C	87.7	Confident	85.3	Confident	21 Å²	21	77 Å²	77	14%	0.142	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.5	175.4	-37.2	0	0	0	0	115.3	C65 T82 C89	C65-C186 HydrophobicContact CB-CB 4.1Å; T82-C186 HydrophobicContact CG2-CB 3.69Å; C89-C186 VanDerWaalsContact CA-SG 3.52Å; C89-C186 HydrophobicContact CB-CB 3.68Å; C89-C186 WeakPolarHBondContact CB-SG 3.24Å; C89-C186 WeakPolarHBondContact SG-CB 3.47Å; C89-C186 CovalentContact SG-SG 2.02Å; C89-C186 PolarHBondContact SG-SG 3.18Å
187	M	83.9	Confident	84.6	Confident	38 Å²	38	81.6 Å²	81.6	19%	0.187	41%	0.414	C	S	.	.			trans	-85.7	-33	-176.8	-70.2	-67.7	174.5	0	0	113.9	F44 C65 K66 Q153 T183 D184 K185	F44-M187 HydrophobicContact CE1-CE 3.83Å; F44-M187 HydrophobicContact CE1-SD 3.98Å; C65-M187 VanDerWaalsContact C-CE 3.44Å; C65-M187 HydrophobicContact CB-CE 4.09Å; C65-M187 WeakPolarHBondContact O-CE 3.45Å; K66-M187 HydrophobicContact CB-SD 4.07Å; K66-M187 WeakPolarHBondContact CE-O 3.41Å; K66-M187 PolarHBondContact NZ-O 3.37Å; Q153-M187 HydrophobicContact CG-CE 4.47Å; T183-M187 WeakPolarHBondContact O-CE 3.42Å; D184-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 VanDerWaalsContact C-N 3.28Å; K185-M187 PolarHBondContact O-N 3.25Å
188	T	81.3	Confident	83.8	Confident	120 Å²	120	86.2 Å²	86.2	74%	0.736	44%	0.437	S	S	*	.	S	Bend	trans	-82.7	144	175.6	51.6	0	0	0	0	110
189	E	60.7	Low	82.9	Confident	170 Å²	170	90.2 Å²	90.2	79%	0.794	45%	0.454	S	S	*	.			trans	-63.1	134.4	164.5	-70.3	171.3	175	0	0	107.8
190	Q	38.8	Very low	81.9	Confident	264 Å²	264	90.6 Å²	90.6	100%	1.234	46%	0.462	S	S	*	.			trans	-76.2	0	163.5	-80.6	-174.4	-34.8	0	0	108.9

Retrieved 190 of 190 residues in 549.6 ms (Link to these results)

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