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Deoxyuridine 5'-triphosphate nucleotidohydrolase

Catalyzes the cleavage of 2'-deoxyuridine 5'-triphosphate (dUTP) into 2'-deoxyuridine 5'-monophosphate (dUMP) and inorganic pyrophosphate and through its action efficiently prevents uracil misincorporation into DNA and at the same time provides dUMP, the substrate for de novo thymidylate biosynthesis. Inhibits peroxisome proliferator-activated receptor (PPAR) activity by binding of its N-terminal to PPAR, preventing the latter's dimerization with retinoid X receptor. Essential for embryonic development. Involved in nucleotide metabolism via production of dUMP, the immediate precursor of thymidine nucleotides, and decreases the intracellular concentration of dUTP so that uracil cannot be incorporated into DNA.

AlphaFold DB , UniProt , Accession G4V790, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 aa.

						>G4V790_SCHMA|G4V790
MPESLPLENSYPSTVKLKYKKLSYQATTPTRGSLFAAGYDLYAAHEATIPPGGRELIKTDIQIELPEGCYGRVAPRSGLALKQGIDVGAGVIDRDYRGNVGVVLFNFGEQEFEIRKGDRVAQLICERIFCPELMECESLAETDRGSNGYGSTGV
					

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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	46.3	Very low	44.1	Very low	228 Å²	228	151.4 Å²	151.4	100%	1.123	81%	0.805	S	S	*	*				0	127.4	0	-62.7	-148.5	165	0	0	106.4	E3	M1-E3 PolarHBondContact O-N 2.95Å
2	P	46.8	Very low	43.9	Very low	133 Å²	133	148.6 Å²	148.6	86%	0.864	80%	0.801	S	S	*	*			trans	-71.1	117.9	176.6	29.4	-28.5	0	0	0	107.4	S4	P2-S4 PolarHBondContact O-N 2.8Å
3	E	43.7	Very low	45	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	79%	0.786	S	S	*	*			trans	-55.5	128	171.5	-75.3	172.1	144.2	0	0	108.8	M1 L5	M1-E3 PolarHBondContact O-N 2.95Å; E3-L5 PolarHBondContact O-N 3.07Å
4	S	48.2	Very low	47	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	79%	0.787	S	S	*	*			trans	-64.6	104.3	170.2	51.6	0	0	0	0	108.2	P2	P2-S4 PolarHBondContact O-N 2.8Å
5	L	44.9	Very low	49.9	Very low	160 Å²	160	139.7 Å²	139.7	84%	0.838	77%	0.773	S	S	*	*			trans	-54.2	128.5	166.8	-81.4	159.6	0	0	0	108.8	E3 L7	E3-L5 PolarHBondContact O-N 3.07Å; L5-L7 PolarHBondContact O-N 3.03Å
6	P	42.5	Very low	52.7	Low	99 Å²	99	140.6 Å²	140.6	64%	0.643	77%	0.767	S	S	*	*			trans	-63.5	135.5	175.4	26.1	-30.6	0	0	0	108.7	E8	P6-E8 PolarHBondContact O-N 3.25Å
7	L	43.6	Very low	55.3	Low	162 Å²	162	134.8 Å²	134.8	85%	0.848	74%	0.735	S	S	*	*			trans	-66.6	75.7	169.1	-80.5	160	0	0	0	109	L5 N9	L5-L7 PolarHBondContact O-N 3.03Å; L7-N9 PolarHBondContact O-N 2.85Å
8	E	39.4	Very low	57.7	Low	170 Å²	170	133.6 Å²	133.6	79%	0.794	72%	0.721	S	S	*	*			trans	-74.5	66.9	165.9	-106.8	176.3	-178.5	0	0	109	P6 S10	P6-E8 PolarHBondContact O-N 3.25Å; E8-S10 PolarHBondContact O-N 2.82Å
9	N	41.8	Very low	59.9	Low	119 Å²	119	132.1 Å²	132.1	64%	0.636	71%	0.705	S	S	*	*			trans	-77.5	69.2	165.9	-97.8	-6.7	0	0	0	108.8	L7	L7-N9 PolarHBondContact O-N 2.85Å
10	S	39.9	Very low	61.8	Low	93 Å²	93	131.9 Å²	131.9	65%	0.65	70%	0.697	S	S	*	*			trans	-94.1	95.2	161.6	71	0	0	0	0	108	E8 P12	E8-S10 PolarHBondContact O-N 2.82Å; S10-P12 WeakPolarHBondContact O-CD 3.47Å
11	Y	47.5	Very low	63.6	Low	201 Å²	201	130 Å²	130	79%	0.788	68%	0.683	S	S	*	*			trans	-60.9	119.4	149.1	-88.4	-91.1	0	0	0	105	S13	Y11-S13 PolarHBondContact O-N 3.38Å
12	P	42	Very low	66.1	Low	118 Å²	118	122.6 Å²	122.6	77%	0.766	65%	0.648	S	S	*	*			trans	-67.9	84.5	171.9	28.1	-31.3	0	0	0	107.1	S10 T14	S10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-T14 PolarHBondContact O-N 3.4Å
13	S	58.5	Low	68.5	Low	85 Å²	85	117.9 Å²	117.9	59%	0.594	62%	0.618	S	S	*	*			trans	-93	79.8	-178.5	59.5	0	0	0	0	109.4	Y11 V15	Y11-S13 PolarHBondContact O-N 3.38Å; S13-V15 PolarHBondContact O-N 3.04Å
14	T	73.6	Confident	71.1	Confident	131 Å²	131	118.3 Å²	118.3	80%	0.804	61%	0.613	S	S	*	*			trans	-64.3	-13.9	155.8	48.1	0	0	0	0	111.5	P12 K16	P12-T14 PolarHBondContact O-N 3.4Å; T14-K16 PolarHBondContact O-N 2.97Å
15	V	89.8	Confident	73.5	Confident	96 Å²	96	115.4 Å²	115.4	58%	0.582	59%	0.587	S	S	*	*			trans	-75.1	117.1	178.2	-171.9	0	0	0	0	110.5	S13 P66	S13-V15 PolarHBondContact O-N 3.04Å; V15-P66 HydrophobicContact CG1-CB 3.33Å; V15-P66 HydrophobicContact CG1-CG 3.73Å
16	K	94.9	Very high	76.1	Confident	155 Å²	155	108 Å²	108	67%	0.674	55%	0.549	S	S	*	.			trans	-121.3	132	179.8	-65	-177.7	179.5	-179.6	0	110.5	T14	T14-K16 PolarHBondContact O-N 2.97Å
17	L	97.3	Very high	78.8	Confident	42 Å²	42	105.4 Å²	105.4	22%	0.22	53%	0.531	C	S	.	.			trans	-80.4	115.8	158.6	174.5	60.4	0	0	0	107.9	Y39 I63 L65 L123	L17-Y39 HydrophobicContact CD2-CD2 4.28Å; L17-Y39 HydrophobicContact CD2-CE2 4.42Å; L17-I63 HydrophobicContact CD1-CB 4.33Å; L17-L65 HydrophobicContact CD1-CD2 3.92Å; L17-L65 HydrophobicContact CD1-CG 4.29Å; L17-L123 HydrophobicContact CD2-CD2 3.94Å
18	K	98.3	Very high	81.4	Confident	112 Å²	112	100 Å²	100	49%	0.487	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.9	176.4	-54.3	176.1	-167.2	162.7	0	109.2	I63 E64	K18-I63 CarbonylContact O-C 3.58Å; K18-I63 WeakPolarHBondContact O-CA 3.44Å; K18-E64 HydrophobicContact CB-CB 4.14Å; K18-E64 HydrophobicContact CD-CG 4.37Å; K18-E64 WeakPolarHBondContact CE-OE1 3.36Å; K18-E64 PolarHBondContact N-O 2.89Å; K18-E64 IonicContact NZ-OE1 2.69Å; K18-E64 PolarHBondContact NZ-OE1 3.13Å; K18-E64 IonicContact NZ-OE2 3.49Å; K18-E64 PolarHBondContact O-N 3.38Å
19	Y	98.6	Very high	84.2	Confident	106 Å²	106	92.8 Å²	92.8	42%	0.416	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.4	174.3	74.8	-76.9	0	0	0	110.6	K21 T28 I61 Q62	Y19-K21 HydrophobicContact CE2-CG 4.39Å; Y19-T28 HydrophobicContact CE1-CG2 4.19Å; Y19-T28 HydrophobicContact CE2-CG2 4.1Å; Y19-T28 WeakPolarHBondContact OH-CG2 3.38Å; Y19-T28 PolarHBondContact OH-OG1 2.94Å; Y19-I61 HydrophobicContact CD2-CG2 4.41Å; Y19-Q62 CarbonylContact C-O 3.5Å; Y19-Q62 VanDerWaalsContact CA-O 3.24Å; Y19-Q62 WeakPolarHBondContact CA-O 3.42Å
20	K	98.7	Very high	86.9	Confident	127 Å²	127	89.6 Å²	89.6	55%	0.552	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.9	171.1	169.2	-179.5	173.3	-168	0	108.9	I61 Q62	K20-I61 VanDerWaalsContact O-CA 3.31Å; K20-I61 WeakPolarHBondContact O-CA 3.34Å; K20-Q62 HydrophobicContact CB-CG 3.79Å; K20-Q62 HydrophobicContact CG-CG 4.4Å; K20-Q62 PolarHBondContact N-O 2.83Å; K20-Q62 PolarHBondContact O-N 2.62Å
21	K	98.8	Very high	89.6	Confident	92 Å²	92	90.6 Å²	90.6	40%	0.4	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.4	169.7	-63.7	-173.3	178.7	-163.5	0	109.8	Y19 A26 T28 I61	Y19-K21 HydrophobicContact CE2-CG 4.39Å; K21-A26 HydrophobicContact CB-CB 3.89Å; K21-A26 HydrophobicContact CD-CB 4.04Å; K21-A26 WeakPolarHBondContact CE-O 3.29Å; K21-A26 HydrophobicContact CG-CB 3.79Å; K21-A26 PolarHBondContact NZ-O 3.47Å; K21-T28 VanDerWaalsContact CE-OG1 3.32Å; K21-T28 WeakPolarHBondContact CE-OG1 3.22Å; K21-I61 HydrophobicContact CG-CG2 4.4Å
22	L	98.7	Very high	91.8	Very high	73 Å²	73	84 Å²	84	38%	0.382	44%	0.44	S	S	.	.	S	Bend	trans	-91.3	-20.7	176.9	-60.7	176.1	0	0	0	111.8	D60 Q62 N99	L22-D60 HydrophobicContact CB-CB 4.43Å; L22-D60 WeakPolarHBondContact CB-O 3.36Å; L22-D60 PolarHBondContact N-O 3.42Å; L22-Q62 HydrophobicContact CD1-CB 4.45Å; L22-Q62 HydrophobicContact CD2-CB 4.3Å; L22-Q62 HydrophobicContact CD2-CG 3.94Å; L22-Q62 HydrophobicContact CG-CG 4.49Å; L22-N99 HydrophobicContact CD1-CB 3.64Å
23	S	98.5	Very high	94.4	Very high	34 Å²	34	81.7 Å²	81.7	24%	0.238	43%	0.427	C	S	.	.	S	Bend	trans	-146.8	171.8	177.1	83.8	0	0	0	0	111.8	Q25 A26 D60	S23-Q25 PolarHBondContact O-N 2.89Å; S23-Q25 WeakPolarHBondContact OG-CB 3.27Å; S23-Q25 PolarHBondContact OG-N 2.82Å; S23-A26 WeakPolarHBondContact O-CB 3.33Å; S23-A26 PolarHBondContact O-N 2.93Å; S23-D60 VanDerWaalsContact CB-OD2 3.27Å; S23-D60 WeakPolarHBondContact CB-OD2 3.25Å; S23-D60 WeakPolarHBondContact OG-CB 3.39Å; S23-D60 PolarHBondContact OG-OD2 2.71Å
24	Y	98	Very high	96.1	Very high	196 Å²	196	83.4 Å²	83.4	77%	0.769	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.2	172.1	68.8	-88.2	0	0	0	113.2	A26	Y24-A26 VanDerWaalsContact C-N 3.35Å
25	Q	98.5	Very high	97.1	Very high	52 Å²	52	85 Å²	85	24%	0.243	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.4	177.7	-59	-69	14.3	0	0	112.5	S23 A44 K116	S23-Q25 PolarHBondContact O-N 2.89Å; S23-Q25 WeakPolarHBondContact OG-CB 3.27Å; S23-Q25 PolarHBondContact OG-N 2.82Å; Q25-A44 HydrophobicContact CB-CB 4.09Å; Q25-A44 VanDerWaalsContact CB-O 3.25Å; Q25-A44 WeakPolarHBondContact CB-O 3.19Å; Q25-K116 WeakPolarHBondContact O-CE 3.07Å
26	A	98.7	Very high	97.4	Very high	4 Å²	4	81.7 Å²	81.7	3%	0.033	41%	0.408	C	S	.	.			trans	-64.2	134.7	-179.4	0	0	0	0	0	112.8	K21 S23 Y24 D60 I61	K21-A26 HydrophobicContact CB-CB 3.89Å; K21-A26 HydrophobicContact CD-CB 4.04Å; K21-A26 WeakPolarHBondContact CE-O 3.29Å; K21-A26 HydrophobicContact CG-CB 3.79Å; K21-A26 PolarHBondContact NZ-O 3.47Å; S23-A26 WeakPolarHBondContact O-CB 3.33Å; S23-A26 PolarHBondContact O-N 2.93Å; Y24-A26 VanDerWaalsContact C-N 3.35Å; A26-D60 HydrophobicContact CB-CB 3.8Å; A26-D60 WeakPolarHBondContact CB-O 3.36Å; A26-I61 HydrophobicContact CB-CG2 3.99Å
27	T	98.8	Very high	97.5	Very high	45 Å²	45	78 Å²	78	28%	0.276	41%	0.406	S	S	.	.			trans	-107	139.3	173.1	-57.7	0	0	0	0	109.9	Y42	T27-Y42 HydrophobicContact CG2-CD1 3.78Å; T27-Y42 HydrophobicContact CG2-CD2 3.78Å; T27-Y42 HydrophobicContact CG2-CE1 3.92Å; T27-Y42 HydrophobicContact CG2-CE2 3.95Å; T27-Y42 HydrophobicContact CG2-CG 3.7Å
28	T	98.7	Very high	97.6	Very high	50 Å²	50	76 Å²	76	31%	0.307	40%	0.396	S	S	.	.			trans	-64.2	128.4	178.1	-69.3	0	0	0	0	109.1	Y19 K21 T30 Y42	Y19-T28 HydrophobicContact CE1-CG2 4.19Å; Y19-T28 HydrophobicContact CE2-CG2 4.1Å; Y19-T28 WeakPolarHBondContact OH-CG2 3.38Å; Y19-T28 PolarHBondContact OH-OG1 2.94Å; K21-T28 VanDerWaalsContact CE-OG1 3.32Å; K21-T28 WeakPolarHBondContact CE-OG1 3.22Å; T28-T30 WeakPolarHBondContact O-CG2 3.43Å; T28-Y42 WeakPolarHBondContact O-CE2 3.35Å
29	P	98.7	Very high	97.6	Very high	17 Å²	17	74.6 Å²	74.6	11%	0.11	39%	0.388	C	S	.	.			trans	-56.5	140.2	175.8	-25.5	34.7	0	0	0	111.8	Y39 D40 L41 I61	P29-Y39 HydrophobicContact CB-CD1 4.31Å; P29-Y39 HydrophobicContact CB-CG 4.4Å; P29-D40 VanDerWaalsContact CA-O 3.28Å; P29-D40 WeakPolarHBondContact CA-O 3.44Å; P29-L41 HydrophobicContact CB-CD2 4.39Å; P29-L41 HydrophobicContact CG-CD2 4.1Å; P29-I61 HydrophobicContact CG-CD1 3.53Å
30	T	98.4	Very high	97.6	Very high	53 Å²	53	70.1 Å²	70.1	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.4	-176.5	66.6	0	0	0	0	111.5	T28 Y39 D40 Y42	T28-T30 WeakPolarHBondContact O-CG2 3.43Å; T30-Y39 CarbonylContact O-C 3.57Å; T30-Y39 VanDerWaalsContact O-CA 3.23Å; T30-Y39 WeakPolarHBondContact O-CA 3.12Å; T30-D40 PolarHBondContact N-O 3.24Å; T30-D40 PolarHBondContact O-N 2.83Å; T30-Y42 HydrophobicContact CG2-CE2 4.17Å; T30-Y42 VanDerWaalsContact CG2-OH 3.3Å; T30-Y42 WeakPolarHBondContact CG2-OH 3.39Å; T30-Y42 PolarHBondContact OG1-OH 2.56Å
31	R	96.9	Very high	97.6	Very high	114 Å²	114	64.1 Å²	64.1	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.5	170.3	-68	-162.9	-65.1	161.8	2.6	109.9	S33 L34 A36 Y39	R31-S33 VanDerWaalsContact C-N 3.27Å; R31-S33 PolarHBondContact O-N 2.82Å; R31-L34 PolarHBondContact NH1-O 2.84Å; R31-A36 HydrophobicContact CB-CB 4.31Å; R31-Y39 HydrophobicContact CG-CD1 3.62Å; R31-Y39 HydrophobicContact CG-CD2 4.37Å; R31-Y39 HydrophobicContact CG-CE1 3.5Å; R31-Y39 VanDerWaalsContact CG-CE1 3.5Å; R31-Y39 HydrophobicContact CG-CE2 4.26Å; R31-Y39 HydrophobicContact CG-CG 4.06Å
32	G	94.3	Very high	97.6	Very high	62 Å²	62	61.3 Å²	61.3	64%	0.639	33%	0.333	S	S	*	.	S	Bend	trans	-70.9	-21.2	177.1	0	0	0	0	0	114.1
33	S	96	Very high	97.6	Very high	70 Å²	70	57.9 Å²	57.9	49%	0.49	32%	0.315	S	S	.	.	S	Bend	trans	-156.2	170.2	175.9	73.2	0	0	0	0	110.7	R31 F35 A36	R31-S33 VanDerWaalsContact C-N 3.27Å; R31-S33 PolarHBondContact O-N 2.82Å; S33-F35 PolarHBondContact O-N 3.27Å; S33-A36 WeakPolarHBondContact O-CB 3.36Å; S33-A36 PolarHBondContact O-N 3.01Å; S33-A36 PolarHBondContact OG-N 2.8Å; S33-A36 VanDerWaalsContact OG-N 3.15Å
34	L	94	Very high	97.6	Very high	120 Å²	120	56.5 Å²	56.5	63%	0.628	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.6	-179.6	-178.8	60.7	0	0	0	113.2	R31	R31-L34 PolarHBondContact NH1-O 2.84Å
35	F	94.5	Very high	97.6	Very high	166 Å²	166	50.2 Å²	50.2	73%	0.728	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	17.5	-177.8	-56.1	-67.5	0	0	0	112.7	S33 A37	S33-F35 PolarHBondContact O-N 3.27Å; F35-A37 PolarHBondContact O-N 3.16Å
36	A	96.6	Very high	97.6	Very high	26 Å²	26	55 Å²	55	22%	0.215	31%	0.305	C	S	.	.			trans	-58.5	130.9	173.9	0	0	0	0	0	109.9	R31 S33 G38	R31-A36 HydrophobicContact CB-CB 4.31Å; S33-A36 WeakPolarHBondContact O-CB 3.36Å; S33-A36 PolarHBondContact O-N 3.01Å; S33-A36 PolarHBondContact OG-N 2.8Å; S33-A36 VanDerWaalsContact OG-N 3.15Å; A36-G38 VanDerWaalsContact C-N 3.29Å; A36-G38 PolarHBondContact O-N 2.88Å
37	A	97.4	Very high	97.6	Very high	76 Å²	76	55.6 Å²	55.6	63%	0.628	31%	0.31	S	S	*	.	S	Bend	trans	-66.5	-33	179.8	0	0	0	0	0	112.3	F35	F35-A37 PolarHBondContact O-N 3.16Å
38	G	97.5	Very high	97.6	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	160.2	-176.3	0	0	0	0	0	114.3	A36 L123	A36-G38 VanDerWaalsContact C-N 3.29Å; A36-G38 PolarHBondContact O-N 2.88Å; G38-L123 CarbonylContact C-O 3.54Å; G38-L123 WeakPolarHBondContact CA-O 3.33Å
39	Y	98.6	Very high	97.6	Very high	81 Å²	81	54.5 Å²	54.5	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.1	165.9	-70.6	-98.1	0	0	0	109.6	L17 P29 T30 R31 L41 Q122 L123	L17-Y39 HydrophobicContact CD2-CD2 4.28Å; L17-Y39 HydrophobicContact CD2-CE2 4.42Å; P29-Y39 HydrophobicContact CB-CD1 4.31Å; P29-Y39 HydrophobicContact CB-CG 4.4Å; T30-Y39 CarbonylContact O-C 3.57Å; T30-Y39 VanDerWaalsContact O-CA 3.23Å; T30-Y39 WeakPolarHBondContact O-CA 3.12Å; R31-Y39 HydrophobicContact CG-CD1 3.62Å; R31-Y39 HydrophobicContact CG-CD2 4.37Å; R31-Y39 HydrophobicContact CG-CE1 3.5Å; R31-Y39 VanDerWaalsContact CG-CE1 3.5Å; R31-Y39 HydrophobicContact CG-CE2 4.26Å; R31-Y39 HydrophobicContact CG-CG 4.06Å; Y39-L41 PolarHBondContact O-N 2.74Å; Y39-Q122 CarbonylContact O-C 3.38Å; Y39-Q122 VanDerWaalsContact O-CA 3.23Å; Y39-Q122 WeakPolarHBondContact O-CA 3.31Å; Y39-L123 PolarHBondContact N-O 3.07Å; Y39-L123 PolarHBondContact O-N 3.43Å
40	D	98.7	Very high	97.6	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	128.4	172.4	-78.6	-37.7	0	0	0	109.7	P29 T30 Y42 R76 R119 A121	P29-D40 VanDerWaalsContact CA-O 3.28Å; P29-D40 WeakPolarHBondContact CA-O 3.44Å; T30-D40 PolarHBondContact N-O 3.24Å; T30-D40 PolarHBondContact O-N 2.83Å; D40-Y42 HydrophobicContact CB-CE2 4.3Å; D40-Y42 WeakPolarHBondContact O-CD2 3.49Å; D40-Y42 WeakPolarHBondContact O-CE2 3.38Å; D40-R76 IonicContact OD1-CZ 3.86Å; D40-R76 IonicContact OD1-NE 3.03Å; D40-R76 PolarHBondContact OD1-NE 2.98Å; D40-R76 IonicContact OD1-NH2 3.96Å; D40-R119 HydrophobicContact CB-CB 4.43Å; D40-R119 HydrophobicContact CB-CG 4.07Å; D40-R119 WeakPolarHBondContact OD2-CD 3.23Å; D40-R119 IonicContact OD2-CZ 3.81Å; D40-R119 IonicContact OD2-NE 3.91Å; D40-R119 IonicContact OD2-NH1 2.7Å; D40-R119 PolarHBondContact OD2-NH1 3Å; D40-A121 WeakPolarHBondContact CA-O 3.45Å
41	L	98.9	Very high	97.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.5	173.8	-66.6	-179.2	0	0	0	109.9	P29 Y39 T59 I61 V73 V100 V102 R119 V120 A121 L123	P29-L41 HydrophobicContact CB-CD2 4.39Å; P29-L41 HydrophobicContact CG-CD2 4.1Å; Y39-L41 PolarHBondContact O-N 2.74Å; L41-T59 HydrophobicContact CB-CG2 4.2Å; L41-T59 HydrophobicContact CD1-CG2 4.43Å; L41-I61 HydrophobicContact CD2-CD1 4.1Å; L41-V73 HydrophobicContact CD1-CG1 4.1Å; L41-V73 HydrophobicContact CD1-CG2 4.34Å; L41-V100 HydrophobicContact CD1-CG1 4.24Å; L41-V102 HydrophobicContact CB-CG2 4.46Å; L41-V102 HydrophobicContact CD1-CG2 3.97Å; L41-R119 CarbonylContact O-C 3.59Å; L41-R119 WeakPolarHBondContact O-CA 3.23Å; L41-V120 PolarHBondContact O-N 3.43Å; L41-A121 PolarHBondContact N-O 3.15Å; L41-L123 HydrophobicContact CD1-CB 4.08Å; L41-L123 HydrophobicContact CD2-CB 4.08Å; L41-L123 HydrophobicContact CG-CB 4.04Å
42	Y	98.9	Very high	97.7	Very high	33 Å²	33	55.3 Å²	55.3	13%	0.129	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138	-170.2	-64.5	-98.6	0	0	0	111.3	T27 T28 T30 D40 T59 G117 D118 R119	T27-Y42 HydrophobicContact CG2-CD1 3.78Å; T27-Y42 HydrophobicContact CG2-CD2 3.78Å; T27-Y42 HydrophobicContact CG2-CE1 3.92Å; T27-Y42 HydrophobicContact CG2-CE2 3.95Å; T27-Y42 HydrophobicContact CG2-CG 3.7Å; T28-Y42 WeakPolarHBondContact O-CE2 3.35Å; T30-Y42 HydrophobicContact CG2-CE2 4.17Å; T30-Y42 VanDerWaalsContact CG2-OH 3.3Å; T30-Y42 WeakPolarHBondContact CG2-OH 3.39Å; T30-Y42 PolarHBondContact OG1-OH 2.56Å; D40-Y42 HydrophobicContact CB-CE2 4.3Å; D40-Y42 WeakPolarHBondContact O-CD2 3.49Å; D40-Y42 WeakPolarHBondContact O-CE2 3.38Å; Y42-T59 WeakPolarHBondContact O-CA 3.43Å; Y42-G117 VanDerWaalsContact CD1-O 3.32Å; Y42-G117 WeakPolarHBondContact CD1-O 3.44Å; Y42-D118 CarbonylContact C-O 3.59Å; Y42-D118 VanDerWaalsContact CA-O 3.26Å; Y42-D118 WeakPolarHBondContact CA-O 3.49Å; Y42-R119 HydrophobicContact CD1-CG 3.7Å; Y42-R119 HydrophobicContact CE1-CG 3.3Å; Y42-R119 HydrophobicContact CE2-CG 4.45Å; Y42-R119 HydrophobicContact CG-CG 4.45Å
43	A	98.8	Very high	97.9	Very high	1 Å²	1	53 Å²	53	1%	0.008	31%	0.314	C	S	.	.			trans	-67.1	132	172.8	0	0	0	0	0	111	I57 I114 G117 D118 V120	A43-I57 HydrophobicContact CB-CG2 3.58Å; A43-I114 HydrophobicContact CB-CG2 3.51Å; A43-G117 PolarHBondContact O-N 3.22Å; A43-D118 PolarHBondContact N-O 2.75Å; A43-V120 HydrophobicContact CB-CG1 4.03Å
44	A	98.8	Very high	98	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.041	32%	0.324	C	S	.	.	S	Bend	trans	-90.5	-9	176.1	0	0	0	0	0	113.3	Q25 K58 D60	Q25-A44 HydrophobicContact CB-CB 4.09Å; Q25-A44 VanDerWaalsContact CB-O 3.25Å; Q25-A44 WeakPolarHBondContact CB-O 3.19Å; A44-K58 WeakPolarHBondContact CB-O 3.18Å; A44-K58 PolarHBondContact N-O 3.22Å; A44-D60 HydrophobicContact CB-CB 3.69Å
45	H	98.7	Very high	98.2	Very high	64 Å²	64	56.8 Å²	56.8	30%	0.296	31%	0.313	S	S	.	.	S	Bend	trans	-146.1	166.4	-180	61.3	90.2	0	0	0	110.6	K58	H45-K58 PolarHBondContact NE2-N 3.47Å
46	E	98.5	Very high	98.4	Very high	152 Å²	152	52.9 Å²	52.9	71%	0.71	30%	0.299	S	S	*	.			trans	-77.3	148.2	170.9	-59.5	179.4	170.2	0	0	110.1	I114	E46-I114 VanDerWaalsContact CA-O 3.22Å; E46-I114 WeakPolarHBondContact CA-O 3.4Å
47	A	98.3	Very high	98.5	Very high	17 Å²	17	51.6 Å²	51.6	14%	0.14	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	156.5	174.7	0	0	0	0	0	110	E55 I57 I114	A47-E55 HydrophobicContact CB-CG 4.35Å; A47-I57 HydrophobicContact CB-CD1 3.64Å; A47-I114 HydrophobicContact CB-CB 4.4Å; A47-I114 HydrophobicContact CB-CD1 4.47Å; A47-I114 PolarHBondContact N-O 3.05Å; A47-I114 PolarHBondContact O-N 3.41Å
48	T	98.5	Very high	98.6	Very high	71 Å²	71	52.9 Å²	52.9	44%	0.436	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.8	172.3	-58.1	0	0	0	0	108.5	E111 F112	T48-E111 HydrophobicContact CG2-CB 3.93Å; T48-E111 HydrophobicContact CG2-CG 4.34Å; T48-F112 WeakPolarHBondContact CA-O 3.48Å
49	I	98.6	Very high	98.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.4	177.5	-44.9	-174	0	0	0	108.5	E55 L104 N106 F112 I114	I49-E55 HydrophobicContact CD1-CB 3.8Å; I49-E55 HydrophobicContact CG1-CB 3.75Å; I49-L104 HydrophobicContact CD1-CB 3.46Å; I49-L104 VanDerWaalsContact CD1-CB 3.46Å; I49-L104 HydrophobicContact CD1-CD1 3.94Å; I49-L104 HydrophobicContact CD1-CG 4.34Å; I49-N106 HydrophobicContact CB-CB 4.12Å; I49-N106 HydrophobicContact CG2-CB 3.61Å; I49-N106 PolarHBondContact O-ND2 2.95Å; I49-F112 HydrophobicContact CB-CB 4.41Å; I49-F112 HydrophobicContact CD1-CD1 4.23Å; I49-F112 HydrophobicContact CG1-CD1 4.48Å; I49-F112 PolarHBondContact N-O 2.88Å; I49-F112 PolarHBondContact O-N 2.83Å; I49-I114 HydrophobicContact CD1-CD1 3.84Å; I49-I114 HydrophobicContact CG1-CD1 4.11Å
50	P	98.5	Very high	98.6	Very high	65 Å²	65	50.4 Å²	50.4	42%	0.422	27%	0.272	S	S	.	.			trans	-67.3	159.6	178.6	28.7	-34.4	0	0	0	111.2	G52 G53 N106	P50-G52 PolarHBondContact O-N 2.98Å; P50-G53 WeakPolarHBondContact O-CA 3.45Å; P50-G53 PolarHBondContact O-N 3.18Å; P50-N106 PolarHBondContact O-ND2 2.86Å
51	P	98.5	Very high	98.6	Very high	63 Å²	63	49.9 Å²	49.9	41%	0.409	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	131.3	169.3	-27.7	36.2	0	0	0	111.9	G53 G108 E109	P51-G53 PolarHBondContact O-N 3.44Å; P51-G108 WeakPolarHBondContact CB-O 3.4Å; P51-E109 WeakPolarHBondContact CG-O 3.44Å
52	G	98.3	Very high	98.6	Very high	73 Å²	73	52.3 Å²	52.3	75%	0.753	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	2.2	-174.3	0	0	0	0	0	114.7	P50 N106	P50-G52 PolarHBondContact O-N 2.98Å; G52-N106 VanDerWaalsContact CA-O 3.29Å; G52-N106 WeakPolarHBondContact CA-O 3.47Å; G52-N106 PolarHBondContact N-O 2.69Å
53	G	98.5	Very high	98.6	Very high	15 Å²	15	50.9 Å²	50.9	16%	0.155	28%	0.275	C	S	.	.			trans	-85.6	172.6	-179.4	0	0	0	0	0	114	P50 P51 N106	P50-G53 WeakPolarHBondContact O-CA 3.45Å; P50-G53 PolarHBondContact O-N 3.18Å; P51-G53 PolarHBondContact O-N 3.44Å; G53-N106 PolarHBondContact O-N 2.89Å
54	R	98.5	Very high	98.6	Very high	182 Å²	182	54.2 Å²	54.2	69%	0.687	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.7	170.1	62.6	178.1	170.2	140.7	-2.3	110.7	L104 F105	R54-L104 CarbonylContact C-O 3.57Å; R54-L104 WeakPolarHBondContact CA-O 3.36Å; R54-L104 WeakPolarHBondContact CB-O 3.28Å; R54-F105 HydrophobicContact CB-CD1 3.84Å; R54-F105 HydrophobicContact CB-CE1 3.88Å; R54-F105 HydrophobicContact CB-CG 4.39Å; R54-F105 HydrophobicContact CB-CZ 4.41Å; R54-F105 HydrophobicContact CG-CE1 4.38Å
55	E	98.5	Very high	98.6	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.7	177.4	-172.1	53.5	-98.8	0	0	111.4	A47 I49 I57 L104	A47-E55 HydrophobicContact CB-CG 4.35Å; I49-E55 HydrophobicContact CD1-CB 3.8Å; I49-E55 HydrophobicContact CG1-CB 3.75Å; E55-I57 HydrophobicContact CB-CD1 4.15Å; E55-I57 HydrophobicContact CG-CD1 3.76Å; E55-L104 PolarHBondContact N-O 3.29Å; E55-L104 PolarHBondContact O-N 3.42Å
56	L	98.7	Very high	98.5	Very high	83 Å²	83	52.2 Å²	52.2	44%	0.435	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109	170.5	177.2	66	0	0	0	109.8	V103	L56-V103 HydrophobicContact CD1-CG2 4.01Å
57	I	98.7	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.3	176.7	-48.4	-57.1	0	0	0	109.6	A43 A47 E55 V102 L104 I114 V120	A43-I57 HydrophobicContact CB-CG2 3.58Å; A47-I57 HydrophobicContact CB-CD1 3.64Å; E55-I57 HydrophobicContact CB-CD1 4.15Å; E55-I57 HydrophobicContact CG-CD1 3.76Å; I57-V102 HydrophobicContact CB-CB 4.33Å; I57-V102 PolarHBondContact N-O 2.9Å; I57-V102 PolarHBondContact O-N 2.82Å; I57-L104 HydrophobicContact CG1-CD1 3.64Å; I57-L104 HydrophobicContact CG1-CG 4.03Å; I57-I114 HydrophobicContact CD1-CD1 3.44Å; I57-I114 VanDerWaalsContact CD1-CD1 3.44Å; I57-I114 HydrophobicContact CG1-CD1 3.75Å; I57-V120 HydrophobicContact CG2-CG2 4.19Å
58	K	98.8	Very high	98.3	Very high	102 Å²	102	53.2 Å²	53.2	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.3	176.7	-64.8	178	-179.6	173.2	0	110.4	A44 H45	A44-K58 WeakPolarHBondContact CB-O 3.18Å; A44-K58 PolarHBondContact N-O 3.22Å; H45-K58 PolarHBondContact NE2-N 3.47Å
59	T	98.9	Very high	98.2	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	28%	0.276	C	S	.	.			trans	-97.5	-16	175.7	63.7	0	0	0	0	112.9	L41 Y42 I61 V100 V102	L41-T59 HydrophobicContact CB-CG2 4.2Å; L41-T59 HydrophobicContact CD1-CG2 4.43Å; Y42-T59 WeakPolarHBondContact O-CA 3.43Å; T59-I61 PolarHBondContact O-N 3.42Å; T59-I61 VanDerWaalsContact OG1-CG1 3.24Å; T59-I61 WeakPolarHBondContact OG1-CG1 3.48Å; T59-I61 PolarHBondContact OG1-N 3.34Å; T59-V100 WeakPolarHBondContact CB-O 3.44Å; T59-V100 HydrophobicContact CG2-CG1 4.47Å; T59-V100 WeakPolarHBondContact CG2-O 3.49Å; T59-V100 PolarHBondContact N-O 2.97Å; T59-V100 VanDerWaalsContact N-O 3.16Å; T59-V100 PolarHBondContact OG1-O 2.76Å; T59-V102 HydrophobicContact CG2-CG2 3.94Å
60	D	98.8	Very high	98.2	Very high	29 Å²	29	52.4 Å²	52.4	16%	0.155	28%	0.284	C	S	.	.			trans	54.4	31.7	-172.4	-73.7	0.2	0	0	0	113.2	L22 S23 A26 A44 N99	L22-D60 HydrophobicContact CB-CB 4.43Å; L22-D60 WeakPolarHBondContact CB-O 3.36Å; L22-D60 PolarHBondContact N-O 3.42Å; S23-D60 VanDerWaalsContact CB-OD2 3.27Å; S23-D60 WeakPolarHBondContact CB-OD2 3.25Å; S23-D60 WeakPolarHBondContact OG-CB 3.39Å; S23-D60 PolarHBondContact OG-OD2 2.71Å; A26-D60 HydrophobicContact CB-CB 3.8Å; A26-D60 WeakPolarHBondContact CB-O 3.36Å; A44-D60 HydrophobicContact CB-CB 3.69Å; D60-N99 WeakPolarHBondContact CA-OD1 3.49Å; D60-N99 PolarHBondContact N-OD1 3.17Å; D60-N99 PolarHBondContact OD1-ND2 2.79Å
61	I	98.9	Very high	98.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.3	164.6	64	166.9	0	0	0	110.1	Y19 K20 K21 A26 P29 L41 T59 I63 N99 V100	Y19-I61 HydrophobicContact CD2-CG2 4.41Å; K20-I61 VanDerWaalsContact O-CA 3.31Å; K20-I61 WeakPolarHBondContact O-CA 3.34Å; K21-I61 HydrophobicContact CG-CG2 4.4Å; A26-I61 HydrophobicContact CB-CG2 3.99Å; P29-I61 HydrophobicContact CG-CD1 3.53Å; L41-I61 HydrophobicContact CD2-CD1 4.1Å; T59-I61 PolarHBondContact O-N 3.42Å; T59-I61 VanDerWaalsContact OG1-CG1 3.24Å; T59-I61 WeakPolarHBondContact OG1-CG1 3.48Å; T59-I61 PolarHBondContact OG1-N 3.34Å; I61-I63 HydrophobicContact CD1-CG2 3.87Å; I61-I63 HydrophobicContact CG1-CG2 4.4Å; I61-N99 WeakPolarHBondContact O-CA 3.31Å; I61-V100 HydrophobicContact CG1-CB 4.27Å; I61-V100 HydrophobicContact CG1-CG2 4.43Å; I61-V100 PolarHBondContact O-N 2.82Å
62	Q	98.7	Very high	98.2	Very high	51 Å²	51	50.3 Å²	50.3	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.4	158.4	61.3	178.1	43.6	0	0	108.2	Y19 K20 L22 R97 G98	Y19-Q62 CarbonylContact C-O 3.5Å; Y19-Q62 VanDerWaalsContact CA-O 3.24Å; Y19-Q62 WeakPolarHBondContact CA-O 3.42Å; K20-Q62 HydrophobicContact CB-CG 3.79Å; K20-Q62 HydrophobicContact CG-CG 4.4Å; K20-Q62 PolarHBondContact N-O 2.83Å; K20-Q62 PolarHBondContact O-N 2.62Å; L22-Q62 HydrophobicContact CD1-CB 4.45Å; L22-Q62 HydrophobicContact CD2-CB 4.3Å; L22-Q62 HydrophobicContact CD2-CG 3.94Å; L22-Q62 HydrophobicContact CG-CG 4.49Å; Q62-R97 WeakPolarHBondContact CB-O 3.45Å; Q62-R97 PolarHBondContact OE1-O 2.78Å; Q62-R97 VanDerWaalsContact OE1-O 3.13Å; Q62-G98 WeakPolarHBondContact CA-O 3.29Å; Q62-G98 VanDerWaalsContact CB-O 3.27Å; Q62-G98 WeakPolarHBondContact CB-O 3.45Å
63	I	98.8	Very high	98.3	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157	-177.7	65.4	174.8	0	0	0	111.5	L17 K18 I61 L65 I92 R97 V100 L123	L17-I63 HydrophobicContact CD1-CB 4.33Å; K18-I63 CarbonylContact O-C 3.58Å; K18-I63 WeakPolarHBondContact O-CA 3.44Å; I61-I63 HydrophobicContact CD1-CG2 3.87Å; I61-I63 HydrophobicContact CG1-CG2 4.4Å; I63-L65 HydrophobicContact CD1-CD1 4.05Å; I63-L65 HydrophobicContact CD1-CD2 4.17Å; I63-L65 HydrophobicContact CD1-CG 3.9Å; I63-L65 HydrophobicContact CG1-CG 4.46Å; I63-I92 HydrophobicContact CD1-CB 4.47Å; I63-I92 HydrophobicContact CD1-CG2 3.81Å; I63-I92 HydrophobicContact CG1-CG2 4.21Å; I63-R97 PolarHBondContact O-NH1 3.48Å; I63-V100 HydrophobicContact CB-CG2 4.47Å; I63-V100 HydrophobicContact CD1-CG2 4.08Å; I63-V100 HydrophobicContact CG1-CG2 3.85Å; I63-V100 HydrophobicContact CG2-CG2 4.03Å; I63-L123 HydrophobicContact CD1-CD1 4.39Å; I63-L123 HydrophobicContact CD1-CD2 3.75Å
64	E	98.6	Very high	98.3	Very high	71 Å²	71	46.6 Å²	46.6	33%	0.332	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	108.2	163.9	166.7	-174.6	151.1	0	0	106.8	K18	K18-E64 HydrophobicContact CB-CB 4.14Å; K18-E64 HydrophobicContact CD-CG 4.37Å; K18-E64 WeakPolarHBondContact CE-OE1 3.36Å; K18-E64 PolarHBondContact N-O 2.89Å; K18-E64 IonicContact NZ-OE1 2.69Å; K18-E64 PolarHBondContact NZ-OE1 3.13Å; K18-E64 IonicContact NZ-OE2 3.49Å; K18-E64 PolarHBondContact O-N 3.38Å
65	L	98.2	Very high	98.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-73.9	148.1	-179.4	-72	150.3	0	0	0	110.4	L17 I63 I92 R94	L17-L65 HydrophobicContact CD1-CD2 3.92Å; L17-L65 HydrophobicContact CD1-CG 4.29Å; I63-L65 HydrophobicContact CD1-CD1 4.05Å; I63-L65 HydrophobicContact CD1-CD2 4.17Å; I63-L65 HydrophobicContact CD1-CG 3.9Å; I63-L65 HydrophobicContact CG1-CG 4.46Å; L65-I92 HydrophobicContact CD1-CG2 4.38Å; L65-I92 VanDerWaalsContact CD1-O 3.24Å; L65-I92 WeakPolarHBondContact CD1-O 3.14Å; L65-R94 HydrophobicContact CB-CB 4.43Å; L65-R94 HydrophobicContact CB-CG 4.26Å
66	P	96.5	Very high	98.3	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.143	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.8	163.7	173.4	24.4	-28.6	0	0	0	112	V15 C69	V15-P66 HydrophobicContact CG1-CB 3.33Å; V15-P66 HydrophobicContact CG1-CG 3.73Å; P66-C69 VanDerWaalsContact CD-SG 3.58Å; P66-C69 VanDerWaalsContact CG-SG 3.55Å; P66-C69 PolarHBondContact O-SG 2.89Å; P66-C69 VanDerWaalsContact O-SG 3.36Å
67	E	95.7	Very high	98.2	Very high	155 Å²	155	39.4 Å²	39.4	72%	0.724	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	142.4	177	-176.2	137.6	-119.3	0	0	112.7	C69 R94	E67-C69 VanDerWaalsContact C-N 3.35Å; E67-R94 VanDerWaalsContact CA-CZ 3.45Å; E67-R94 VanDerWaalsContact CD-NH1 3.28Å; E67-R94 IonicContact OE1-CZ 3.78Å; E67-R94 IonicContact OE1-NH1 3.29Å; E67-R94 PolarHBondContact OE1-NH1 3.45Å; E67-R94 IonicContact OE1-NH2 2.9Å; E67-R94 PolarHBondContact OE1-NH2 2.88Å; E67-R94 IonicContact OE2-NH2 2.7Å
68	G	96.3	Very high	98.1	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	16.8	177.3	0	0	0	0	0	114.7	R127 I128	G68-R127 WeakPolarHBondContact O-CA 3.48Å; G68-I128 PolarHBondContact O-N 2.72Å
69	C	97.5	Very high	98	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.054	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.8	171.7	79.3	0	0	0	0	112.7	P66 E67 C125 E126	P66-C69 VanDerWaalsContact CD-SG 3.58Å; P66-C69 VanDerWaalsContact CG-SG 3.55Å; P66-C69 PolarHBondContact O-SG 2.89Å; P66-C69 VanDerWaalsContact O-SG 3.36Å; E67-C69 VanDerWaalsContact C-N 3.35Å; C69-C125 HydrophobicContact CB-CB 4.49Å; C69-E126 CarbonylContact C-O 3.54Å; C69-E126 WeakPolarHBondContact CA-O 3.13Å; C69-E126 WeakPolarHBondContact CB-O 3.12Å
70	Y	98.7	Very high	97.9	Very high	45 Å²	45	39 Å²	39	18%	0.176	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	167.7	159.8	77.9	-76.1	0	0	0	109.6	R72 V91 C125 E126 I128	Y70-R72 HydrophobicContact CD2-CB 4.48Å; Y70-R72 HydrophobicContact CE2-CB 3.67Å; Y70-R72 HydrophobicContact CE2-CG 4.33Å; Y70-V91 HydrophobicContact CD2-CB 4.47Å; Y70-V91 HydrophobicContact CD2-CG1 3.84Å; Y70-V91 HydrophobicContact CE2-CB 4.5Å; Y70-V91 HydrophobicContact CE2-CG1 4.2Å; Y70-V91 HydrophobicContact CE2-CG2 4.28Å; Y70-C125 WeakPolarHBondContact O-CA 3.32Å; Y70-E126 HydrophobicContact CD1-CB 3.7Å; Y70-E126 HydrophobicContact CE1-CB 3.21Å; Y70-E126 HydrophobicContact CE1-CG 3.93Å; Y70-E126 HydrophobicContact CE2-CB 4.48Å; Y70-E126 PolarHBondContact N-O 2.93Å; Y70-E126 PolarHBondContact O-N 3.24Å; Y70-I128 HydrophobicContact CD1-CB 4.49Å; Y70-I128 HydrophobicContact CD1-CD1 4.1Å; Y70-I128 HydrophobicContact CD1-CG1 4.33Å; Y70-I128 HydrophobicContact CD1-CG2 3.43Å; Y70-I128 VanDerWaalsContact CD1-CG2 3.43Å; Y70-I128 HydrophobicContact CE1-CG2 3.57Å
71	G	98.7	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.3	175.8	0	0	0	0	0	110.2	G90 I92 I124	G71-G90 VanDerWaalsContact O-O 3.13Å; G71-I92 PolarHBondContact N-O 2.75Å; G71-I92 WeakPolarHBondContact O-CA 3.32Å; G71-I92 VanDerWaalsContact O-CB 3.31Å; G71-I92 WeakPolarHBondContact O-CB 3.44Å; G71-I92 WeakPolarHBondContact O-CG1 3.34Å; G71-I92 PolarHBondContact O-N 3.47Å; G71-I124 CarbonylContact C-O 3.45Å
72	R	98.9	Very high	97.7	Very high	84 Å²	84	53.2 Å²	53.2	32%	0.317	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.7	171	-174	169.9	63	94.4	-4.4	110.8	Y70 A74 G90 L123 I124 E126	Y70-R72 HydrophobicContact CD2-CB 4.48Å; Y70-R72 HydrophobicContact CE2-CB 3.67Å; Y70-R72 HydrophobicContact CE2-CG 4.33Å; R72-A74 VanDerWaalsContact NH1-CB 3.32Å; R72-A74 PolarHBondContact O-N 2.96Å; R72-G90 CarbonylContact C-O 3.57Å; R72-G90 VanDerWaalsContact CA-O 3.22Å; R72-G90 WeakPolarHBondContact CA-O 3.35Å; R72-L123 CarbonylContact O-C 3.49Å; R72-L123 WeakPolarHBondContact O-CA 3.35Å; R72-I124 PolarHBondContact N-O 3.44Å; R72-I124 VanDerWaalsContact NH2-CD1 3.27Å; R72-I124 PolarHBondContact O-N 3.1Å; R72-E126 HydrophobicContact CB-CG 3.58Å; R72-E126 IonicContact CZ-OE1 3.77Å; R72-E126 IonicContact NE-OE1 3.11Å; R72-E126 PolarHBondContact NE-OE1 2.91Å; R72-E126 IonicContact NH2-OE1 2.75Å; R72-E126 PolarHBondContact NH2-OE1 3.22Å
73	V	98.8	Very high	97.6	Very high	7 Å²	7	55 Å²	55	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.6	165.2	-168.8	0	0	0	0	107.7	L41 V87 G90 I92 V102 A121 Q122 L123	L41-V73 HydrophobicContact CD1-CG1 4.1Å; L41-V73 HydrophobicContact CD1-CG2 4.34Å; V73-V87 HydrophobicContact CB-CG1 4.13Å; V73-V87 HydrophobicContact CG1-CG1 3.81Å; V73-V87 WeakPolarHBondContact O-CG1 3.27Å; V73-G90 PolarHBondContact N-O 3.15Å; V73-I92 HydrophobicContact CG2-CD1 4.07Å; V73-I92 HydrophobicContact CG2-CG1 3.79Å; V73-V102 HydrophobicContact CG1-CB 4.41Å; V73-V102 HydrophobicContact CG1-CG1 4.01Å; V73-V102 HydrophobicContact CG1-CG2 3.99Å; V73-A121 HydrophobicContact CG1-CB 3.57Å; V73-Q122 CarbonylContact C-O 3.58Å; V73-Q122 WeakPolarHBondContact CA-O 3.34Å; V73-L123 HydrophobicContact CG2-CD1 4.36Å
74	A	98.8	Very high	97.5	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151	-174.6	0	0	0	0	0	111.3	R72 Q122 I124	R72-A74 VanDerWaalsContact NH1-CB 3.32Å; R72-A74 PolarHBondContact O-N 2.96Å; A74-Q122 HydrophobicContact CB-CG 3.89Å; A74-Q122 PolarHBondContact N-O 3.43Å; A74-Q122 PolarHBondContact O-N 3.17Å; A74-I124 HydrophobicContact CB-CD1 3.75Å; A74-I124 HydrophobicContact CB-CG1 4.46Å
75	P	98.5	Very high	97.5	Very high	45 Å²	45	52.6 Å²	52.6	29%	0.292	29%	0.292	S	S	.	.			trans	-67.3	154	177.5	28.6	-35.1	0	0	0	111.6	V87 Q122	P75-V87 HydrophobicContact CB-CB 4.39Å; P75-V87 HydrophobicContact CB-CG2 4.1Å; P75-Q122 PolarHBondContact O-NE2 3.21Å
76	R	98.3	Very high	97.6	Very high	51 Å²	51	55.6 Å²	55.6	19%	0.192	31%	0.308	C	S	.	.			trans	-93.9	126.3	171.1	-63.3	176.1	77.1	-122.7	-10.3	108.3	D40 G78 L79 A80 R119	D40-R76 IonicContact OD1-CZ 3.86Å; D40-R76 IonicContact OD1-NE 3.03Å; D40-R76 PolarHBondContact OD1-NE 2.98Å; D40-R76 IonicContact OD1-NH2 3.96Å; R76-G78 PolarHBondContact O-N 3.01Å; R76-G78 VanDerWaalsContact O-N 3.11Å; R76-L79 HydrophobicContact CB-CD1 4.19Å; R76-L79 HydrophobicContact CB-CG 4.17Å; R76-L79 PolarHBondContact O-N 3.16Å; R76-A80 PolarHBondContact O-N 3.06Å; R76-R119 WeakPolarHBondContact CD-O 3.12Å; R76-R119 PolarHBondContact NH1-O 3.44Å
77	S	96.9	Very high	97.7	Very high	106 Å²	106	55.3 Å²	55.3	74%	0.741	31%	0.305	S	S	*	.	H	α-helix	trans	-54.8	-36.5	-174.3	56.2	0	0	0	0	113.7	L81	S77-L81 WeakPolarHBondContact O-CB 3.32Å; S77-L81 PolarHBondContact O-N 3.18Å
78	G	96.4	Very high	97.8	Very high	36 Å²	36	48.7 Å²	48.7	37%	0.371	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.9	0	0	0	0	0	113.7	R76 K82	R76-G78 PolarHBondContact O-N 3.01Å; R76-G78 VanDerWaalsContact O-N 3.11Å; G78-K82 VanDerWaalsContact O-CB 3.24Å; G78-K82 WeakPolarHBondContact O-CB 3.39Å; G78-K82 WeakPolarHBondContact O-CG 3.24Å; G78-K82 PolarHBondContact O-N 2.8Å; G78-K82 VanDerWaalsContact O-N 3.16Å
79	L	96.7	Very high	97.8	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-74.5	-40.6	178.7	-55.9	179.8	0	0	0	110.7	R76 Q83 G84 I85 F112 V120	R76-L79 HydrophobicContact CB-CD1 4.19Å; R76-L79 HydrophobicContact CB-CG 4.17Å; R76-L79 PolarHBondContact O-N 3.16Å; L79-Q83 CarbonylContact O-C 3.58Å; L79-Q83 WeakPolarHBondContact O-CA 3.41Å; L79-Q83 WeakPolarHBondContact O-CB 3.26Å; L79-Q83 PolarHBondContact O-N 2.98Å; L79-G84 PolarHBondContact O-N 3.11Å; L79-I85 HydrophobicContact CB-CB 3.97Å; L79-I85 HydrophobicContact CB-CG1 4.42Å; L79-I85 PolarHBondContact O-N 2.9Å; L79-F112 HydrophobicContact CD1-CZ 4.44Å; L79-F112 HydrophobicContact CD2-CE2 4.38Å; L79-F112 HydrophobicContact CD2-CZ 4.23Å; L79-V120 WeakPolarHBondContact CD1-O 3.41Å
80	A	97.2	Very high	97.8	Very high	40 Å²	40	51.6 Å²	51.6	33%	0.331	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-51.6	177	0	0	0	0	0	112.1	R76 G84 I85	R76-A80 PolarHBondContact O-N 3.06Å; A80-G84 WeakPolarHBondContact O-CA 3.32Å; A80-G84 PolarHBondContact O-N 2.98Å; A80-I85 WeakPolarHBondContact CA-O 3.43Å; A80-I85 WeakPolarHBondContact CB-O 3.24Å; A80-I85 PolarHBondContact N-O 2.83Å
81	L	96.8	Very high	97.8	Very high	153 Å²	153	53.6 Å²	53.6	80%	0.801	32%	0.318	S	S	*	.	H	α-helix	trans	-72.9	-41.8	-175.8	-178.3	63.2	0	0	0	113.1	S77	S77-L81 WeakPolarHBondContact O-CB 3.32Å; S77-L81 PolarHBondContact O-N 3.18Å
82	K	96.9	Very high	97.8	Very high	176 Å²	176	54.4 Å²	54.4	77%	0.765	32%	0.322	S	S	*	.	H	α-helix	trans	-90.6	-27.9	-170.2	-60.8	-179	178.2	-175.8	0	113.7	G78	G78-K82 VanDerWaalsContact O-CB 3.24Å; G78-K82 WeakPolarHBondContact O-CB 3.39Å; G78-K82 WeakPolarHBondContact O-CG 3.24Å; G78-K82 PolarHBondContact O-N 2.8Å; G78-K82 VanDerWaalsContact O-N 3.16Å
83	Q	96.7	Very high	97.8	Very high	88 Å²	88	54.6 Å²	54.6	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-125.4	-1.6	-171.1	-65.7	173.7	-56.7	0	0	112.4	L79 I85 F112	L79-Q83 CarbonylContact O-C 3.58Å; L79-Q83 WeakPolarHBondContact O-CA 3.41Å; L79-Q83 WeakPolarHBondContact O-CB 3.26Å; L79-Q83 PolarHBondContact O-N 2.98Å; Q83-I85 VanDerWaalsContact C-N 3.28Å; Q83-I85 HydrophobicContact CB-CG1 3.81Å; Q83-I85 PolarHBondContact O-N 2.81Å; Q83-F112 HydrophobicContact CB-CD2 4.36Å; Q83-F112 VanDerWaalsContact OE1-CE2 3.23Å
84	G	97.7	Very high	97.8	Very high	21 Å²	21	59 Å²	59	22%	0.216	35%	0.345	C	S	.	.			trans	69.2	25.4	-179.5	0	0	0	0	0	113.5	L79 A80 F107	L79-G84 PolarHBondContact O-N 3.11Å; A80-G84 WeakPolarHBondContact O-CA 3.32Å; A80-G84 PolarHBondContact O-N 2.98Å; G84-F107 WeakPolarHBondContact O-CA 3.18Å; G84-F107 WeakPolarHBondContact O-CB 3.35Å; G84-F107 PolarHBondContact O-N 3.32Å
85	I	98.5	Very high	97.7	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.6	-176	-53.7	-54.5	0	0	0	111.5	L79 A80 Q83 L104 F105 N106 F112	L79-I85 HydrophobicContact CB-CB 3.97Å; L79-I85 HydrophobicContact CB-CG1 4.42Å; L79-I85 PolarHBondContact O-N 2.9Å; A80-I85 WeakPolarHBondContact CA-O 3.43Å; A80-I85 WeakPolarHBondContact CB-O 3.24Å; A80-I85 PolarHBondContact N-O 2.83Å; Q83-I85 VanDerWaalsContact C-N 3.28Å; Q83-I85 HydrophobicContact CB-CG1 3.81Å; Q83-I85 PolarHBondContact O-N 2.81Å; I85-L104 HydrophobicContact CG2-CB 4.4Å; I85-L104 HydrophobicContact CG2-CD1 4.36Å; I85-L104 HydrophobicContact CG2-CD2 3.93Å; I85-L104 HydrophobicContact CG2-CG 4.47Å; I85-F105 WeakPolarHBondContact CA-O 3.33Å; I85-N106 HydrophobicContact CD1-CB 3.85Å; I85-F112 HydrophobicContact CD1-CB 3.65Å; I85-F112 HydrophobicContact CD1-CD1 3.57Å; I85-F112 HydrophobicContact CD1-CD2 4.04Å; I85-F112 HydrophobicContact CD1-CE1 4.21Å; I85-F112 HydrophobicContact CD1-CG 3.47Å; I85-F112 VanDerWaalsContact CD1-CG 3.47Å; I85-F112 HydrophobicContact CG1-CB 4.5Å; I85-F112 HydrophobicContact CG1-CD1 3.83Å; I85-F112 HydrophobicContact CG1-CD2 3.95Å; I85-F112 HydrophobicContact CG1-CE1 3.96Å; I85-F112 HydrophobicContact CG1-CE2 4.11Å; I85-F112 HydrophobicContact CG1-CG 3.83Å; I85-F112 HydrophobicContact CG1-CZ 4.11Å; I85-F112 HydrophobicContact CG2-CE1 4.26Å
86	D	98.6	Very high	97.7	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.353	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.4	173.8	-160.1	12.6	0	0	0	111.9	L104 F105 F107	D86-L104 CarbonylContact O-C 3.47Å; D86-L104 WeakPolarHBondContact O-CA 3.31Å; D86-F105 HydrophobicContact CB-CB 4.5Å; D86-F105 PolarHBondContact N-O 2.7Å; D86-F105 PolarHBondContact O-N 3.05Å; D86-F107 HydrophobicContact CB-CD2 3.97Å; D86-F107 HydrophobicContact CB-CE2 3.67Å
87	V	98.6	Very high	97.7	Very high	16 Å²	16	69.9 Å²	69.9	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.6	175.1	174.3	0	0	0	0	108.5	V73 P75 V102 V103 L104 A121	V73-V87 HydrophobicContact CB-CG1 4.13Å; V73-V87 HydrophobicContact CG1-CG1 3.81Å; V73-V87 WeakPolarHBondContact O-CG1 3.27Å; P75-V87 HydrophobicContact CB-CB 4.39Å; P75-V87 HydrophobicContact CB-CG2 4.1Å; V87-V102 HydrophobicContact CG2-CG1 4.27Å; V87-V103 WeakPolarHBondContact CA-O 3.34Å; V87-L104 HydrophobicContact CG2-CD2 3.78Å; V87-A121 HydrophobicContact CG2-CB 4.01Å
88	G	97.9	Very high	97.8	Very high	17 Å²	17	66 Å²	66	18%	0.175	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-180	167.8	0	0	0	0	0	113.2	G90 V103	G88-G90 PolarHBondContact O-N 3.03Å; G88-V103 PolarHBondContact N-O 2.74Å
89	A	97.6	Very high	97.9	Very high	96 Å²	96	66.2 Å²	66.2	79%	0.793	36%	0.36	S	S	*	.			trans	53.4	-97	-168.5	0	0	0	0	0	111.3	V91 V103	A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 3.27Å; A89-V103 HydrophobicContact CB-CG2 4.3Å
90	G	97.3	Very high	98	Very high	9 Å²	9	65.2 Å²	65.2	9%	0.093	36%	0.355	C	S	.	.			trans	72.3	5.6	168	0	0	0	0	0	116.4	G71 R72 V73 G88	G71-G90 VanDerWaalsContact O-O 3.13Å; R72-G90 CarbonylContact C-O 3.57Å; R72-G90 VanDerWaalsContact CA-O 3.22Å; R72-G90 WeakPolarHBondContact CA-O 3.35Å; V73-G90 PolarHBondContact N-O 3.15Å; G88-G90 PolarHBondContact O-N 3.03Å
91	V	98.7	Very high	98.1	Very high	87 Å²	87	64.3 Å²	64.3	53%	0.527	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.9	172.5	-177.3	0	0	0	0	108.9	Y70 A89	Y70-V91 HydrophobicContact CD2-CB 4.47Å; Y70-V91 HydrophobicContact CD2-CG1 3.84Å; Y70-V91 HydrophobicContact CE2-CB 4.5Å; Y70-V91 HydrophobicContact CE2-CG1 4.2Å; Y70-V91 HydrophobicContact CE2-CG2 4.28Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 3.27Å
92	I	98.7	Very high	98.2	Very high	17 Å²	17	57 Å²	57	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.7	171.7	-48.2	-60.4	0	0	0	108.5	I63 L65 G71 V73 Y96 V100 L123	I63-I92 HydrophobicContact CD1-CB 4.47Å; I63-I92 HydrophobicContact CD1-CG2 3.81Å; I63-I92 HydrophobicContact CG1-CG2 4.21Å; L65-I92 HydrophobicContact CD1-CG2 4.38Å; L65-I92 VanDerWaalsContact CD1-O 3.24Å; L65-I92 WeakPolarHBondContact CD1-O 3.14Å; G71-I92 PolarHBondContact N-O 2.75Å; G71-I92 WeakPolarHBondContact O-CA 3.32Å; G71-I92 VanDerWaalsContact O-CB 3.31Å; G71-I92 WeakPolarHBondContact O-CB 3.44Å; G71-I92 WeakPolarHBondContact O-CG1 3.34Å; G71-I92 PolarHBondContact O-N 3.47Å; V73-I92 HydrophobicContact CG2-CD1 4.07Å; V73-I92 HydrophobicContact CG2-CG1 3.79Å; I92-Y96 HydrophobicContact CG2-CD1 3.86Å; I92-Y96 HydrophobicContact CG2-CG 4.47Å; I92-V100 HydrophobicContact CD1-CG1 4.28Å; I92-V100 HydrophobicContact CG1-CG1 4.43Å; I92-L123 HydrophobicContact CG1-CD1 4.47Å
93	D	98.5	Very high	98.3	Very high	88 Å²	88	50.5 Å²	50.5	47%	0.471	29%	0.285	S	S	.	.			trans	-66.5	150.8	179.4	-58.7	-63	0	0	0	112.2	D95 Y96	D93-D95 VanDerWaalsContact CB-OD1 3.29Å; D93-D95 WeakPolarHBondContact CB-OD1 3.24Å; D93-D95 PolarHBondContact O-N 2.68Å; D93-Y96 WeakPolarHBondContact O-CB 3.22Å; D93-Y96 PolarHBondContact O-N 2.89Å; D93-Y96 VanDerWaalsContact O-N 3.15Å
94	R	97.9	Very high	98.4	Very high	100 Å²	100	46.3 Å²	46.3	38%	0.377	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.1	-177.8	178.7	-177.4	166.5	-162.6	0.1	112.8	L65 E67 R97	L65-R94 HydrophobicContact CB-CB 4.43Å; L65-R94 HydrophobicContact CB-CG 4.26Å; E67-R94 VanDerWaalsContact CA-CZ 3.45Å; E67-R94 VanDerWaalsContact CD-NH1 3.28Å; E67-R94 IonicContact OE1-CZ 3.78Å; E67-R94 IonicContact OE1-NH1 3.29Å; E67-R94 PolarHBondContact OE1-NH1 3.45Å; E67-R94 IonicContact OE1-NH2 2.9Å; E67-R94 PolarHBondContact OE1-NH2 2.88Å; E67-R94 IonicContact OE2-NH2 2.7Å; R94-R97 PolarHBondContact O-NH1 3.31Å; R94-R97 PolarHBondContact O-NH2 3.42Å
95	D	97.9	Very high	98.4	Very high	132 Å²	132	48 Å²	48	71%	0.706	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.2	-179.7	62.2	-10.4	0	0	0	113.4	D93 R97	D93-D95 VanDerWaalsContact CB-OD1 3.29Å; D93-D95 WeakPolarHBondContact CB-OD1 3.24Å; D93-D95 PolarHBondContact O-N 2.68Å; D95-R97 PolarHBondContact O-N 2.7Å
96	Y	98.6	Very high	98.5	Very high	93 Å²	93	47.9 Å²	47.9	37%	0.365	27%	0.267	S	S	.	.			trans	-66.2	129.8	174.7	-176.4	-111.5	0	0	0	111.7	I92 D93 G98 N99	I92-Y96 HydrophobicContact CG2-CD1 3.86Å; I92-Y96 HydrophobicContact CG2-CG 4.47Å; D93-Y96 WeakPolarHBondContact O-CB 3.22Å; D93-Y96 PolarHBondContact O-N 2.89Å; D93-Y96 VanDerWaalsContact O-N 3.15Å; Y96-G98 VanDerWaalsContact CE1-C 3.42Å; Y96-G98 WeakPolarHBondContact CE1-O 3.24Å; Y96-G98 VanDerWaalsContact CZ-C 3.49Å; Y96-G98 WeakPolarHBondContact OH-CA 3.42Å; Y96-N99 PolarHBondContact OH-N 2.99Å; Y96-N99 PolarHBondContact OH-O 3.02Å
97	R	98.6	Very high	98.4	Very high	101 Å²	101	51.4 Å²	51.4	38%	0.381	28%	0.279	S	S	.	.			trans	-125	10	177.5	-64.4	-66	177.1	-79.6	-7.8	113.5	Q62 I63 R94 D95	Q62-R97 WeakPolarHBondContact CB-O 3.45Å; Q62-R97 PolarHBondContact OE1-O 2.78Å; Q62-R97 VanDerWaalsContact OE1-O 3.13Å; I63-R97 PolarHBondContact O-NH1 3.48Å; R94-R97 PolarHBondContact O-NH1 3.31Å; R94-R97 PolarHBondContact O-NH2 3.42Å; D95-R97 PolarHBondContact O-N 2.7Å
98	G	98.6	Very high	98.4	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	-80.6	-172.1	176	0	0	0	0	0	113	Q62 Y96 V100	Q62-G98 WeakPolarHBondContact CA-O 3.29Å; Q62-G98 VanDerWaalsContact CB-O 3.27Å; Q62-G98 WeakPolarHBondContact CB-O 3.45Å; Y96-G98 VanDerWaalsContact CE1-C 3.42Å; Y96-G98 WeakPolarHBondContact CE1-O 3.24Å; Y96-G98 VanDerWaalsContact CZ-C 3.49Å; Y96-G98 WeakPolarHBondContact OH-CA 3.42Å; G98-V100 PolarHBondContact O-N 2.86Å
99	N	98.7	Very high	98.4	Very high	41 Å²	41	59.6 Å²	59.6	22%	0.219	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69.9	122.8	174.7	-167.3	-26.2	0	0	0	109.6	L22 D60 I61 Y96 G101	L22-N99 HydrophobicContact CD1-CB 3.64Å; D60-N99 WeakPolarHBondContact CA-OD1 3.49Å; D60-N99 PolarHBondContact N-OD1 3.17Å; D60-N99 PolarHBondContact OD1-ND2 2.79Å; I61-N99 WeakPolarHBondContact O-CA 3.31Å; Y96-N99 PolarHBondContact OH-N 2.99Å; Y96-N99 PolarHBondContact OH-O 3.02Å; N99-G101 PolarHBondContact O-N 2.86Å
100	V	98.8	Very high	98.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-67.7	116.8	175.5	175.8	0	0	0	0	108.3	L41 T59 I61 I63 I92 G98	L41-V100 HydrophobicContact CD1-CG1 4.24Å; T59-V100 WeakPolarHBondContact CB-O 3.44Å; T59-V100 HydrophobicContact CG2-CG1 4.47Å; T59-V100 WeakPolarHBondContact CG2-O 3.49Å; T59-V100 PolarHBondContact N-O 2.97Å; T59-V100 VanDerWaalsContact N-O 3.16Å; T59-V100 PolarHBondContact OG1-O 2.76Å; I61-V100 HydrophobicContact CG1-CB 4.27Å; I61-V100 HydrophobicContact CG1-CG2 4.43Å; I61-V100 PolarHBondContact O-N 2.82Å; I63-V100 HydrophobicContact CB-CG2 4.47Å; I63-V100 HydrophobicContact CD1-CG2 4.08Å; I63-V100 HydrophobicContact CG1-CG2 3.85Å; I63-V100 HydrophobicContact CG2-CG2 4.03Å; I92-V100 HydrophobicContact CD1-CG1 4.28Å; I92-V100 HydrophobicContact CG1-CG1 4.43Å; G98-V100 PolarHBondContact O-N 2.86Å
101	G	98.6	Very high	98.4	Very high	20 Å²	20	68.2 Å²	68.2	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.3	176.6	0	0	0	0	0	111.8	N99	N99-G101 PolarHBondContact O-N 2.86Å
102	V	98.8	Very high	98.4	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.2	174.1	-179	0	0	0	0	107.8	L41 I57 T59 V73 V87 L104 V120 A121	L41-V102 HydrophobicContact CB-CG2 4.46Å; L41-V102 HydrophobicContact CD1-CG2 3.97Å; I57-V102 HydrophobicContact CB-CB 4.33Å; I57-V102 PolarHBondContact N-O 2.9Å; I57-V102 PolarHBondContact O-N 2.82Å; T59-V102 HydrophobicContact CG2-CG2 3.94Å; V73-V102 HydrophobicContact CG1-CB 4.41Å; V73-V102 HydrophobicContact CG1-CG1 4.01Å; V73-V102 HydrophobicContact CG1-CG2 3.99Å; V87-V102 HydrophobicContact CG2-CG1 4.27Å; V102-L104 HydrophobicContact CG1-CD2 3.56Å; V102-L104 HydrophobicContact CG1-CG 3.91Å; V102-L104 PolarHBondContact O-N 2.72Å; V102-V120 HydrophobicContact CB-CG2 4.4Å; V102-V120 HydrophobicContact CG1-CG2 4.35Å; V102-V120 HydrophobicContact CG2-CG2 4.24Å; V102-A121 HydrophobicContact CB-CB 4.45Å; V102-A121 HydrophobicContact CG1-CB 3.5Å; V102-A121 VanDerWaalsContact CG1-CB 3.5Å; V102-A121 HydrophobicContact CG2-CB 4.05Å
103	V	98.8	Very high	98.4	Very high	38 Å²	38	69.6 Å²	69.6	23%	0.23	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.6	175.1	-177.4	0	0	0	0	108.2	L56 V87 G88 A89 F105	L56-V103 HydrophobicContact CD1-CG2 4.01Å; V87-V103 WeakPolarHBondContact CA-O 3.34Å; G88-V103 PolarHBondContact N-O 2.74Å; A89-V103 HydrophobicContact CB-CG2 4.3Å; V103-F105 HydrophobicContact CG1-CE2 3.82Å; V103-F105 HydrophobicContact CG1-CZ 4.32Å
104	L	98.8	Very high	98.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140	178.5	-65	-177.7	0	0	0	110.9	I49 R54 E55 I57 I85 D86 V87 V102 F112 I114 V120	I49-L104 HydrophobicContact CD1-CB 3.46Å; I49-L104 VanDerWaalsContact CD1-CB 3.46Å; I49-L104 HydrophobicContact CD1-CD1 3.94Å; I49-L104 HydrophobicContact CD1-CG 4.34Å; R54-L104 CarbonylContact C-O 3.57Å; R54-L104 WeakPolarHBondContact CA-O 3.36Å; R54-L104 WeakPolarHBondContact CB-O 3.28Å; E55-L104 PolarHBondContact N-O 3.29Å; E55-L104 PolarHBondContact O-N 3.42Å; I57-L104 HydrophobicContact CG1-CD1 3.64Å; I57-L104 HydrophobicContact CG1-CG 4.03Å; I85-L104 HydrophobicContact CG2-CB 4.4Å; I85-L104 HydrophobicContact CG2-CD1 4.36Å; I85-L104 HydrophobicContact CG2-CD2 3.93Å; I85-L104 HydrophobicContact CG2-CG 4.47Å; D86-L104 CarbonylContact O-C 3.47Å; D86-L104 WeakPolarHBondContact O-CA 3.31Å; V87-L104 HydrophobicContact CG2-CD2 3.78Å; V102-L104 HydrophobicContact CG1-CD2 3.56Å; V102-L104 HydrophobicContact CG1-CG 3.91Å; V102-L104 PolarHBondContact O-N 2.72Å; L104-F112 HydrophobicContact CD1-CE1 4.06Å; L104-I114 HydrophobicContact CD1-CD1 3.58Å; L104-V120 HydrophobicContact CD1-CB 4.11Å; L104-V120 HydrophobicContact CD1-CG1 4.37Å
105	F	98.8	Very high	98.4	Very high	57 Å²	57	68.2 Å²	68.2	25%	0.25	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.9	168.5	-70.4	-92	0	0	0	108.9	R54 I85 D86 V103 F107	R54-F105 HydrophobicContact CB-CD1 3.84Å; R54-F105 HydrophobicContact CB-CE1 3.88Å; R54-F105 HydrophobicContact CB-CG 4.39Å; R54-F105 HydrophobicContact CB-CZ 4.41Å; R54-F105 HydrophobicContact CG-CE1 4.38Å; I85-F105 WeakPolarHBondContact CA-O 3.33Å; D86-F105 HydrophobicContact CB-CB 4.5Å; D86-F105 PolarHBondContact N-O 2.7Å; D86-F105 PolarHBondContact O-N 3.05Å; V103-F105 HydrophobicContact CG1-CE2 3.82Å; V103-F105 HydrophobicContact CG1-CZ 4.32Å; F105-F107 HydrophobicContact CB-CD2 4.36Å; F105-F107 HydrophobicContact CB-CE1 4.32Å; F105-F107 HydrophobicContact CB-CE2 3.81Å; F105-F107 HydrophobicContact CB-CZ 3.78Å; F105-F107 HydrophobicContact CD1-CZ 4.3Å; F105-F107 HydrophobicContact CG-CZ 4.16Å
106	N	98.7	Very high	98.4	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	101	172.1	-177.2	6.1	0	0	0	109.8	I49 P50 G52 G53 I85 G108 Q110	I49-N106 HydrophobicContact CB-CB 4.12Å; I49-N106 HydrophobicContact CG2-CB 3.61Å; I49-N106 PolarHBondContact O-ND2 2.95Å; P50-N106 PolarHBondContact O-ND2 2.86Å; G52-N106 VanDerWaalsContact CA-O 3.29Å; G52-N106 WeakPolarHBondContact CA-O 3.47Å; G52-N106 PolarHBondContact N-O 2.69Å; G53-N106 PolarHBondContact O-N 2.89Å; I85-N106 HydrophobicContact CD1-CB 3.85Å; N106-G108 WeakPolarHBondContact OD1-CA 3.3Å; N106-G108 PolarHBondContact OD1-N 3.36Å; N106-Q110 PolarHBondContact ND2-O 3.47Å
107	F	98.4	Very high	98.4	Very high	141 Å²	141	63.2 Å²	63.2	62%	0.618	31%	0.308	S	S	*	.			trans	-92.5	2.9	171.9	-58.2	-58.5	0	0	0	112.8	G84 D86 F105	G84-F107 WeakPolarHBondContact O-CA 3.18Å; G84-F107 WeakPolarHBondContact O-CB 3.35Å; G84-F107 PolarHBondContact O-N 3.32Å; D86-F107 HydrophobicContact CB-CD2 3.97Å; D86-F107 HydrophobicContact CB-CE2 3.67Å; F105-F107 HydrophobicContact CB-CD2 4.36Å; F105-F107 HydrophobicContact CB-CE1 4.32Å; F105-F107 HydrophobicContact CB-CE2 3.81Å; F105-F107 HydrophobicContact CB-CZ 3.78Å; F105-F107 HydrophobicContact CD1-CZ 4.3Å; F105-F107 HydrophobicContact CG-CZ 4.16Å
108	G	97.5	Very high	98.4	Very high	18 Å²	18	61.5 Å²	61.5	19%	0.186	31%	0.307	C	S	.	.	S	Bend	trans	-76.2	172.7	173.7	0	0	0	0	0	112.8	P51 N106	P51-G108 WeakPolarHBondContact CB-O 3.4Å; N106-G108 WeakPolarHBondContact OD1-CA 3.3Å; N106-G108 PolarHBondContact OD1-N 3.36Å
109	E	97.2	Very high	98.4	Very high	187 Å²	187	65.4 Å²	65.4	87%	0.874	31%	0.314	S	S	*	.	S	Bend	trans	-91.6	-7.1	-179.4	-60.2	-175.7	166.1	0	0	113.4	P51	P51-E109 WeakPolarHBondContact CG-O 3.44Å
110	Q	97.5	Very high	98.4	Very high	160 Å²	160	63.6 Å²	63.6	75%	0.748	30%	0.304	S	S	*	.	S	Bend	trans	-120.1	156.9	-176.8	-63.5	179.5	38.1	0	0	111	N106 F112	N106-Q110 PolarHBondContact ND2-O 3.47Å; Q110-F112 PolarHBondContact O-N 3.15Å
111	E	98.2	Very high	98.4	Very high	126 Å²	126	63.6 Å²	63.6	59%	0.589	30%	0.304	S	S	*	.			trans	-59.9	135.8	170.6	-65.1	-172.3	159.9	0	0	110.5	T48	T48-E111 HydrophobicContact CG2-CB 3.93Å; T48-E111 HydrophobicContact CG2-CG 4.34Å
112	F	98.4	Very high	98.4	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	102.9	174.6	-179	-120.9	0	0	0	109.6	T48 I49 L79 Q83 I85 L104 Q110 I114	T48-F112 WeakPolarHBondContact CA-O 3.48Å; I49-F112 HydrophobicContact CB-CB 4.41Å; I49-F112 HydrophobicContact CD1-CD1 4.23Å; I49-F112 HydrophobicContact CG1-CD1 4.48Å; I49-F112 PolarHBondContact N-O 2.88Å; I49-F112 PolarHBondContact O-N 2.83Å; L79-F112 HydrophobicContact CD1-CZ 4.44Å; L79-F112 HydrophobicContact CD2-CE2 4.38Å; L79-F112 HydrophobicContact CD2-CZ 4.23Å; Q83-F112 HydrophobicContact CB-CD2 4.36Å; Q83-F112 VanDerWaalsContact OE1-CE2 3.23Å; I85-F112 HydrophobicContact CD1-CB 3.65Å; I85-F112 HydrophobicContact CD1-CD1 3.57Å; I85-F112 HydrophobicContact CD1-CD2 4.04Å; I85-F112 HydrophobicContact CD1-CE1 4.21Å; I85-F112 HydrophobicContact CD1-CG 3.47Å; I85-F112 VanDerWaalsContact CD1-CG 3.47Å; I85-F112 HydrophobicContact CG1-CB 4.5Å; I85-F112 HydrophobicContact CG1-CD1 3.83Å; I85-F112 HydrophobicContact CG1-CD2 3.95Å; I85-F112 HydrophobicContact CG1-CE1 3.96Å; I85-F112 HydrophobicContact CG1-CE2 4.11Å; I85-F112 HydrophobicContact CG1-CG 3.83Å; I85-F112 HydrophobicContact CG1-CZ 4.11Å; I85-F112 HydrophobicContact CG2-CE1 4.26Å; L104-F112 HydrophobicContact CD1-CE1 4.06Å; Q110-F112 PolarHBondContact O-N 3.15Å; F112-I114 HydrophobicContact CD1-CD1 3.8Å; F112-I114 HydrophobicContact CD1-CG1 3.65Å; F112-I114 HydrophobicContact CE1-CD1 3.6Å; F112-I114 HydrophobicContact CE1-CG1 3.33Å; F112-I114 HydrophobicContact CZ-CG1 4Å
113	E	98.4	Very high	98.4	Very high	118 Å²	118	64.9 Å²	64.9	55%	0.551	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.2	173.5	-65.6	-174.9	-179.8	0	0	110.7
114	I	98.6	Very high	98.4	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.7	176	-62.3	166.5	0	0	0	107.5	A43 E46 A47 I49 I57 L104 F112 V120	A43-I114 HydrophobicContact CB-CG2 3.51Å; E46-I114 VanDerWaalsContact CA-O 3.22Å; E46-I114 WeakPolarHBondContact CA-O 3.4Å; A47-I114 HydrophobicContact CB-CB 4.4Å; A47-I114 HydrophobicContact CB-CD1 4.47Å; A47-I114 PolarHBondContact N-O 3.05Å; A47-I114 PolarHBondContact O-N 3.41Å; I49-I114 HydrophobicContact CD1-CD1 3.84Å; I49-I114 HydrophobicContact CG1-CD1 4.11Å; I57-I114 HydrophobicContact CD1-CD1 3.44Å; I57-I114 VanDerWaalsContact CD1-CD1 3.44Å; I57-I114 HydrophobicContact CG1-CD1 3.75Å; L104-I114 HydrophobicContact CD1-CD1 3.58Å; F112-I114 HydrophobicContact CD1-CD1 3.8Å; F112-I114 HydrophobicContact CD1-CG1 3.65Å; F112-I114 HydrophobicContact CE1-CD1 3.6Å; F112-I114 HydrophobicContact CE1-CG1 3.33Å; F112-I114 HydrophobicContact CZ-CG1 4Å; I114-V120 HydrophobicContact CD1-CG1 4.47Å; I114-V120 HydrophobicContact CG1-CG1 4.47Å; I114-V120 HydrophobicContact CG2-CG1 3.81Å
115	R	98.4	Very high	98.4	Very high	156 Å²	156	66.3 Å²	66.3	59%	0.589	31%	0.314	S	S	*	.			trans	-99.8	153.3	172.6	-60.3	179.6	-177.3	175.5	1.2	110.4	G117 D118	R115-G117 PolarHBondContact O-N 3.43Å; R115-D118 WeakPolarHBondContact CB-OD2 3.43Å; R115-D118 PolarHBondContact N-OD2 2.79Å; R115-D118 VanDerWaalsContact O-CB 3.32Å; R115-D118 WeakPolarHBondContact O-CB 3.38Å; R115-D118 PolarHBondContact O-N 3.22Å
116	K	98.3	Very high	98.3	Very high	92 Å²	92	66.3 Å²	66.3	40%	0.4	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	128.7	169.7	179.1	-97.6	171.3	163.4	0	109.7	Q25	Q25-K116 WeakPolarHBondContact O-CE 3.07Å
117	G	98.4	Very high	98.3	Very high	28 Å²	28	77 Å²	77	29%	0.289	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-0.3	-176.6	0	0	0	0	0	114.8	Y42 A43 R115	Y42-G117 VanDerWaalsContact CD1-O 3.32Å; Y42-G117 WeakPolarHBondContact CD1-O 3.44Å; A43-G117 PolarHBondContact O-N 3.22Å; R115-G117 PolarHBondContact O-N 3.43Å
118	D	98.5	Very high	98.2	Very high	65 Å²	65	73.6 Å²	73.6	35%	0.348	34%	0.342	S	S	.	.			trans	-70.6	141.8	170.7	-74.8	-18.4	0	0	0	111.1	Y42 A43 R115 V120	Y42-D118 CarbonylContact C-O 3.59Å; Y42-D118 VanDerWaalsContact CA-O 3.26Å; Y42-D118 WeakPolarHBondContact CA-O 3.49Å; A43-D118 PolarHBondContact N-O 2.75Å; R115-D118 WeakPolarHBondContact CB-OD2 3.43Å; R115-D118 PolarHBondContact N-OD2 2.79Å; R115-D118 VanDerWaalsContact O-CB 3.32Å; R115-D118 WeakPolarHBondContact O-CB 3.38Å; R115-D118 PolarHBondContact O-N 3.22Å; D118-V120 HydrophobicContact CB-CG1 4.39Å; D118-V120 PolarHBondContact O-N 3.33Å
119	R	98.5	Very high	98.2	Very high	107 Å²	107	82 Å²	82	40%	0.404	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	103.5	174.7	-67.1	179.4	-69.7	165.7	-3.8	109.2	D40 L41 Y42 R76	D40-R119 HydrophobicContact CB-CB 4.43Å; D40-R119 HydrophobicContact CB-CG 4.07Å; D40-R119 WeakPolarHBondContact OD2-CD 3.23Å; D40-R119 IonicContact OD2-CZ 3.81Å; D40-R119 IonicContact OD2-NE 3.91Å; D40-R119 IonicContact OD2-NH1 2.7Å; D40-R119 PolarHBondContact OD2-NH1 3Å; L41-R119 CarbonylContact O-C 3.59Å; L41-R119 WeakPolarHBondContact O-CA 3.23Å; Y42-R119 HydrophobicContact CD1-CG 3.7Å; Y42-R119 HydrophobicContact CE1-CG 3.3Å; Y42-R119 HydrophobicContact CE2-CG 4.45Å; Y42-R119 HydrophobicContact CG-CG 4.45Å; R76-R119 WeakPolarHBondContact CD-O 3.12Å; R76-R119 PolarHBondContact NH1-O 3.44Å
120	V	98.5	Very high	98.1	Very high	3 Å²	3	78.6 Å²	78.6	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-26	-169.9	-68.9	0	0	0	0	114	L41 A43 I57 L79 V102 L104 I114 D118	L41-V120 PolarHBondContact O-N 3.43Å; A43-V120 HydrophobicContact CB-CG1 4.03Å; I57-V120 HydrophobicContact CG2-CG2 4.19Å; L79-V120 WeakPolarHBondContact CD1-O 3.41Å; V102-V120 HydrophobicContact CB-CG2 4.4Å; V102-V120 HydrophobicContact CG1-CG2 4.35Å; V102-V120 HydrophobicContact CG2-CG2 4.24Å; L104-V120 HydrophobicContact CD1-CB 4.11Å; L104-V120 HydrophobicContact CD1-CG1 4.37Å; I114-V120 HydrophobicContact CD1-CG1 4.47Å; I114-V120 HydrophobicContact CG1-CG1 4.47Å; I114-V120 HydrophobicContact CG2-CG1 3.81Å; D118-V120 HydrophobicContact CB-CG1 4.39Å; D118-V120 PolarHBondContact O-N 3.33Å
121	A	98.8	Very high	98.1	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	-176.9	179.3	0	0	0	0	0	110.3	D40 L41 V73 V87 V102	D40-A121 WeakPolarHBondContact CA-O 3.45Å; L41-A121 PolarHBondContact N-O 3.15Å; V73-A121 HydrophobicContact CG1-CB 3.57Å; V87-A121 HydrophobicContact CG2-CB 4.01Å; V102-A121 HydrophobicContact CB-CB 4.45Å; V102-A121 HydrophobicContact CG1-CB 3.5Å; V102-A121 VanDerWaalsContact CG1-CB 3.5Å; V102-A121 HydrophobicContact CG2-CB 4.05Å
122	Q	98.8	Very high	98.1	Very high	47 Å²	47	78.9 Å²	78.9	22%	0.22	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.8	170.1	65	-170.3	-56.7	0	0	110.8	Y39 V73 A74 P75	Y39-Q122 CarbonylContact O-C 3.38Å; Y39-Q122 VanDerWaalsContact O-CA 3.23Å; Y39-Q122 WeakPolarHBondContact O-CA 3.31Å; V73-Q122 CarbonylContact C-O 3.58Å; V73-Q122 WeakPolarHBondContact CA-O 3.34Å; A74-Q122 HydrophobicContact CB-CG 3.89Å; A74-Q122 PolarHBondContact N-O 3.43Å; A74-Q122 PolarHBondContact O-N 3.17Å; P75-Q122 PolarHBondContact O-NE2 3.21Å
123	L	98.9	Very high	98.1	Very high	1 Å²	1	86.4 Å²	86.4	1%	0.005	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.5	176.9	-176.4	70.3	0	0	0	110.1	L17 G38 Y39 L41 I63 R72 V73 I92	L17-L123 HydrophobicContact CD2-CD2 3.94Å; G38-L123 CarbonylContact C-O 3.54Å; G38-L123 WeakPolarHBondContact CA-O 3.33Å; Y39-L123 PolarHBondContact N-O 3.07Å; Y39-L123 PolarHBondContact O-N 3.43Å; L41-L123 HydrophobicContact CD1-CB 4.08Å; L41-L123 HydrophobicContact CD2-CB 4.08Å; L41-L123 HydrophobicContact CG-CB 4.04Å; I63-L123 HydrophobicContact CD1-CD1 4.39Å; I63-L123 HydrophobicContact CD1-CD2 3.75Å; R72-L123 CarbonylContact O-C 3.49Å; R72-L123 WeakPolarHBondContact O-CA 3.35Å; V73-L123 HydrophobicContact CG2-CD1 4.36Å; I92-L123 HydrophobicContact CG1-CD1 4.47Å
124	I	98.6	Very high	98	Very high	22 Å²	22	88.7 Å²	88.7	11%	0.113	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.3	177.8	-60	170.4	0	0	0	108.6	G71 R72 A74 E126	G71-I124 CarbonylContact C-O 3.45Å; R72-I124 PolarHBondContact N-O 3.44Å; R72-I124 VanDerWaalsContact NH2-CD1 3.27Å; R72-I124 PolarHBondContact O-N 3.1Å; A74-I124 HydrophobicContact CB-CD1 3.75Å; A74-I124 HydrophobicContact CB-CG1 4.46Å; I124-E126 HydrophobicContact CB-CG 4.47Å; I124-E126 HydrophobicContact CG2-CG 4.01Å; I124-E126 PolarHBondContact O-N 3.35Å
125	C	98.1	Very high	98	Very high	46 Å²	46	97.9 Å²	97.9	31%	0.311	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	88.4	172.6	-66.4	0	0	0	0	109.7	C69 Y70	C69-C125 HydrophobicContact CB-CB 4.49Å; Y70-C125 WeakPolarHBondContact O-CA 3.32Å
126	E	98.2	Very high	98	Very high	57 Å²	57	94 Å²	94	27%	0.266	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119	-177.7	-69.6	-81.6	171.6	0	0	110.4	C69 Y70 R72 I124	C69-E126 CarbonylContact C-O 3.54Å; C69-E126 WeakPolarHBondContact CA-O 3.13Å; C69-E126 WeakPolarHBondContact CB-O 3.12Å; Y70-E126 HydrophobicContact CD1-CB 3.7Å; Y70-E126 HydrophobicContact CE1-CB 3.21Å; Y70-E126 HydrophobicContact CE1-CG 3.93Å; Y70-E126 HydrophobicContact CE2-CB 4.48Å; Y70-E126 PolarHBondContact N-O 2.93Å; Y70-E126 PolarHBondContact O-N 3.24Å; R72-E126 HydrophobicContact CB-CG 3.58Å; R72-E126 IonicContact CZ-OE1 3.77Å; R72-E126 IonicContact NE-OE1 3.11Å; R72-E126 PolarHBondContact NE-OE1 2.91Å; R72-E126 IonicContact NH2-OE1 2.75Å; R72-E126 PolarHBondContact NH2-OE1 3.22Å; I124-E126 HydrophobicContact CB-CG 4.47Å; I124-E126 HydrophobicContact CG2-CG 4.01Å; I124-E126 PolarHBondContact O-N 3.35Å
127	R	97.5	Very high	97.9	Very high	227 Å²	227	99.6 Å²	99.6	86%	0.857	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	136	178.5	-67.2	-178.5	72.9	-175	2.6	110.4	G68	G68-R127 WeakPolarHBondContact O-CA 3.48Å
128	I	97.8	Very high	97.9	Very high	68 Å²	68	103 Å²	103	35%	0.349	52%	0.518	S	S	.	.			trans	-138.4	159.5	-179.9	56.3	167	0	0	0	111.4	G68 Y70	G68-I128 PolarHBondContact O-N 2.72Å; Y70-I128 HydrophobicContact CD1-CB 4.49Å; Y70-I128 HydrophobicContact CD1-CD1 4.1Å; Y70-I128 HydrophobicContact CD1-CG1 4.33Å; Y70-I128 HydrophobicContact CD1-CG2 3.43Å; Y70-I128 VanDerWaalsContact CD1-CG2 3.43Å; Y70-I128 HydrophobicContact CE1-CG2 3.57Å
129	F	97.1	Very high	97.8	Very high	196 Å²	196	107.2 Å²	107.2	86%	0.86	54%	0.54	S	S	*	.			trans	-100.4	146.9	160.1	-65.4	-68.1	0	0	0	109.2	P131	F129-P131 VanDerWaalsContact O-CD 3.31Å; F129-P131 WeakPolarHBondContact O-CD 3.47Å
130	C	95.3	Very high	97.7	Very high	115 Å²	115	106.6 Å²	106.6	78%	0.777	56%	0.558	S	S	*	*			trans	-115.8	72.6	170.2	-57.1	0	0	0	0	108.8
131	P	97.3	Very high	97.6	Very high	99 Å²	99	115.8 Å²	115.8	64%	0.643	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-73.5	153.8	-176.3	32.3	-35.9	0	0	0	111.7	F129	F129-P131 VanDerWaalsContact O-CD 3.31Å; F129-P131 WeakPolarHBondContact O-CD 3.47Å
132	E	98.1	Very high	97.5	Very high	192 Å²	192	120.2 Å²	120.2	90%	0.897	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-69.3	144.4	162.8	-66.5	-174.1	165.2	0	0	110
133	L	97.8	Very high	97.2	Very high	172 Å²	172	126.6 Å²	126.6	90%	0.901	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-84	133.9	178.2	-58.8	-178.5	0	0	0	110.1
134	M	97.6	Very high	97	Very high	166 Å²	166	133.9 Å²	133.9	82%	0.818	69%	0.691	S	S	*	*			trans	-124.9	115.4	173.8	-179	-179.9	-69.3	0	0	108.6
135	E	98.1	Very high	96.7	Very high	197 Å²	197	135.3 Å²	135.3	92%	0.921	71%	0.711	S	S	*	*			trans	-77.3	136.1	174.3	-173.3	172.1	-167.2	0	0	110.1
136	C	97.1	Very high	96.5	Very high	74 Å²	74	139 Å²	139	50%	0.5	74%	0.738	S	S	.	*			trans	-131.2	147.7	-175.5	-63.9	0	0	0	0	110.6	S138	C136-S138 VanDerWaalsContact C-N 3.3Å; C136-S138 PolarHBondContact O-N 3.45Å
137	E	97.7	Very high	96.2	Very high	209 Å²	209	141 Å²	141	98%	0.977	75%	0.75	S	S	*	*	S	Bend	trans	-66	-31.9	175.6	-64.9	-175.5	168.5	0	0	112.9
138	S	96.8	Very high	95.9	Very high	101 Å²	101	131.7 Å²	131.7	71%	0.706	72%	0.724	S	S	*	*			trans	-154.1	156.8	176.9	63.2	0	0	0	0	111.2	C136	C136-S138 VanDerWaalsContact C-N 3.3Å; C136-S138 PolarHBondContact O-N 3.45Å
139	L	97	Very high	95.4	Very high	152 Å²	152	140.5 Å²	140.5	80%	0.796	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-103.9	157.4	172.4	-60.3	178.9	0	0	0	110.6
140	A	96.6	Very high	94.8	Very high	94 Å²	94	134 Å²	134	78%	0.777	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.9	174.1	0	0	0	0	0	111.4
141	E	96.5	Very high	94	Very high	197 Å²	197	131.3 Å²	131.3	92%	0.921	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-67.4	148.8	172.6	-66.3	-173.6	174.8	0	0	111.1
142	T	96.3	Very high	93.3	Very high	93 Å²	93	132.5 Å²	132.5	57%	0.571	73%	0.732	S	S	*	*			trans	-136.1	158.5	174.8	66.8	0	0	0	0	109	R144 G145	T142-R144 PolarHBondContact O-N 3.06Å; T142-R144 VanDerWaalsContact O-N 3.08Å; T142-G145 PolarHBondContact O-N 2.93Å; T142-G145 PolarHBondContact OG1-N 3.29Å
143	D	93.7	Very high	92.4	Very high	180 Å²	180	125.8 Å²	125.8	96%	0.963	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-29.2	176.4	-62.3	-20.8	0	0	0	113
144	R	93.6	Very high	90.5	Very high	154 Å²	154	128.2 Å²	128.2	58%	0.581	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-38.2	175.5	-179.7	177.3	-74.6	-93.4	1.9	112	T142 S146 N147	T142-R144 PolarHBondContact O-N 3.06Å; T142-R144 VanDerWaalsContact O-N 3.08Å; R144-S146 PolarHBondContact O-N 2.96Å; R144-N147 WeakPolarHBondContact CG-O 3.26Å; R144-N147 VanDerWaalsContact O-CB 3.26Å; R144-N147 WeakPolarHBondContact O-CB 3.44Å; R144-N147 PolarHBondContact O-N 3.08Å; R144-N147 VanDerWaalsContact O-N 3.15Å; R144-N147 PolarHBondContact O-ND2 2.88Å
145	G	93.2	Very high	90.1	Very high	52 Å²	52	126.3 Å²	126.3	54%	0.536	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	54.5	-132.7	-174.6	0	0	0	0	0	112.5	T142 N147	T142-G145 PolarHBondContact O-N 2.93Å; T142-G145 PolarHBondContact OG1-N 3.29Å; G145-N147 VanDerWaalsContact C-N 3.33Å
146	S	93.3	Very high	89.7	Confident	125 Å²	125	122.6 Å²	122.6	87%	0.874	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	5.6	177.7	55	0	0	0	0	114.5	R144 G148	R144-S146 PolarHBondContact O-N 2.96Å; S146-G148 PolarHBondContact O-N 2.76Å
147	N	91.1	Very high	89.3	Confident	97 Å²	97	125.3 Å²	125.3	52%	0.519	73%	0.733	S	S	.	*			trans	-73.7	124	-176.5	-65.4	-51.7	0	0	0	112	R144 G145	R144-N147 WeakPolarHBondContact CG-O 3.26Å; R144-N147 VanDerWaalsContact O-CB 3.26Å; R144-N147 WeakPolarHBondContact O-CB 3.44Å; R144-N147 PolarHBondContact O-N 3.08Å; R144-N147 VanDerWaalsContact O-N 3.15Å; R144-N147 PolarHBondContact O-ND2 2.88Å; G145-N147 VanDerWaalsContact C-N 3.33Å
148	G	91.3	Very high	88.8	Confident	32 Å²	32	120.4 Å²	120.4	33%	0.33	72%	0.719	S	S	.	*			trans	-155.7	-175	177.1	0	0	0	0	0	112.3	S146 S151	S146-G148 PolarHBondContact O-N 2.76Å; G148-S151 PolarHBondContact N-OG 3.42Å; G148-S151 WeakPolarHBondContact O-CB 3.22Å; G148-S151 PolarHBondContact O-N 3.2Å
149	Y	88.3	Confident	88.3	Confident	254 Å²	254	121.6 Å²	121.6	100%	0.996	72%	0.719	S	S	*	*	S	Bend	trans	56	54.1	175.5	-53.7	-81.9	0	0	0	115
150	G	83.9	Confident	87.7	Confident	59 Å²	59	119.5 Å²	119.5	61%	0.608	71%	0.714	S	S	*	*	S	Bend	trans	87	14	-179.6	0	0	0	0	0	114.2	T152 G153	G150-T152 PolarHBondContact O-N 3.02Å; G150-T152 VanDerWaalsContact O-N 3.1Å; G150-G153 PolarHBondContact O-N 3.36Å; G150-G153 VanDerWaalsContact O-N 3.07Å
151	S	79.6	Confident	87.1	Confident	59 Å²	59	121.4 Å²	121.4	41%	0.413	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.6	-13.3	180	64.1	0	0	0	0	115.4	G148	G148-S151 PolarHBondContact N-OG 3.42Å; G148-S151 WeakPolarHBondContact O-CB 3.22Å; G148-S151 PolarHBondContact O-N 3.2Å
152	T	81.2	Confident	86.4	Confident	124 Å²	124	115.5 Å²	115.5	76%	0.761	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	5.3	176.1	53.5	0	0	0	0	113.4	G150	G150-T152 PolarHBondContact O-N 3.02Å; G150-T152 VanDerWaalsContact O-N 3.1Å
153	G	80.2	Confident	85.6	Confident	50 Å²	50	117.4 Å²	117.4	52%	0.515	70%	0.704	S	S	.	*			trans	93.6	178.5	-176.8	0	0	0	0	0	114.1	G150	G150-G153 PolarHBondContact O-N 3.36Å; G150-G153 VanDerWaalsContact O-N 3.07Å
154	V	57.4	Low	84.8	Confident	223 Å²	223	111.7 Å²	111.7	100%	1.352	68%	0.68	S	S	*	*			trans	-96.7	0	172.2	-179.3	0	0	0	0	109.2

Retrieved 154 of 154 residues in 350.2 ms (Link to these results)

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