A0A077Z4D3_TRITR Loading...

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 A0A077Z4D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

						>A0A077Z4D3_TRITR|A0A077Z4D3
MADSQKLRVCKLSEYATTPTRGSSRAAGFDLYSAYEYEILPGGNCVCMTDIQVAIPEGCYGRIAPRSGLAVKHSIDVGAGVIDEDYRGNVGVVLFNFGKDKFRVQRGDRIAQLICEKIAYPDLIVEKLLDATDRGANGFGSTGL
					

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(Predicted Aligned Error values between residue pairs)

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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	43.7	Very low	79.9	Confident	234 Å²	234	105.5 Å²	105.5	100%	1.153	55%	0.55	S	S	*	*				0	54.6	0	-62.8	-159.9	-78.8	0	0	111.8
2	A	47.3	Very low	81.5	Confident	96 Å²	96	103.3 Å²	103.3	79%	0.793	54%	0.539	S	S	*	.			trans	-106.2	-0.3	-179.8	0	0	0	0	0	113.2
3	D	55.7	Low	82.8	Confident	82 Å²	82	97.9 Å²	97.9	44%	0.439	52%	0.516	S	S	.	.			trans	-96.2	-7.9	-176.2	-144.6	35.8	0	0	0	113.4	Q5 K6	D3-Q5 PolarHBondContact O-N 2.91Å; D3-K6 PolarHBondContact O-N 3.38Å; D3-K6 WeakPolarHBondContact OD1-CD 3.45Å; D3-K6 IonicContact OD1-NZ 3.38Å; D3-K6 PolarHBondContact OD1-NZ 3.25Å
4	S	64.5	Low	83.9	Confident	59 Å²	59	102.2 Å²	102.2	41%	0.413	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	4.6	-172.4	65	0	0	0	0	115.5	P56	S4-P56 WeakPolarHBondContact O-CB 3.42Å
5	Q	83	Confident	84.9	Confident	166 Å²	166	101.1 Å²	101.1	78%	0.776	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	11.7	178	-69.7	-165.2	-16.7	0	0	114.3	D3	D3-Q5 PolarHBondContact O-N 2.91Å
6	K	94.2	Very high	85.8	Confident	122 Å²	122	95 Å²	95	53%	0.53	49%	0.488	S	S	.	.			trans	-104.1	119.8	-179	-63.6	-172.4	-163.9	154.9	0	111.8	D3 R8	D3-K6 PolarHBondContact O-N 3.38Å; D3-K6 WeakPolarHBondContact OD1-CD 3.45Å; D3-K6 IonicContact OD1-NZ 3.38Å; D3-K6 PolarHBondContact OD1-NZ 3.25Å; K6-R8 PolarHBondContact O-N 3.49Å
7	L	97.2	Very high	86.6	Confident	39 Å²	39	92.5 Å²	92.5	20%	0.204	48%	0.478	C	S	.	.			trans	-72.3	117.2	161.6	175.8	63	0	0	0	108.2	V9 F29 V53 I55 L113	L7-V9 HydrophobicContact CG-CG2 4.24Å; L7-F29 HydrophobicContact CD2-CD2 3.87Å; L7-F29 HydrophobicContact CD2-CE2 3.93Å; L7-F29 HydrophobicContact CD2-CG 4.43Å; L7-V53 HydrophobicContact CD1-CB 4.15Å; L7-I55 HydrophobicContact CD1-CD1 3.68Å; L7-L113 HydrophobicContact CD1-CD2 4.34Å; L7-L113 HydrophobicContact CD2-CD2 4.03Å
8	R	97.8	Very high	87.2	Confident	138 Å²	138	91.9 Å²	91.9	52%	0.521	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.7	177	-59.4	175.9	-70	165.7	-2.3	109.4	K6 V53 A54	K6-R8 PolarHBondContact O-N 3.49Å; R8-V53 CarbonylContact O-C 3.53Å; R8-V53 VanDerWaalsContact O-CA 3.27Å; R8-V53 WeakPolarHBondContact O-CA 3.47Å; R8-A54 HydrophobicContact CB-CB 4.21Å; R8-A54 PolarHBondContact N-O 2.92Å; R8-A54 VanDerWaalsContact N-O 3.09Å; R8-A54 PolarHBondContact O-N 3.09Å
9	V	98.5	Very high	87.8	Confident	59 Å²	59	87.8 Å²	87.8	36%	0.358	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.8	-175.2	-174.2	0	0	0	0	109.1	L7 I51 Q52 V53	L7-V9 HydrophobicContact CG-CG2 4.24Å; V9-I51 HydrophobicContact CG1-CB 3.85Å; V9-I51 HydrophobicContact CG1-CD1 3.96Å; V9-I51 HydrophobicContact CG1-CG1 4.49Å; V9-I51 HydrophobicContact CG1-CG2 3.93Å; V9-Q52 WeakPolarHBondContact CA-O 3.46Å; V9-V53 HydrophobicContact CG1-CG1 4.46Å; V9-V53 HydrophobicContact CG2-CG1 4.18Å
10	C	98.6	Very high	88.4	Confident	61 Å²	61	86.1 Å²	86.1	41%	0.412	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138	168.5	-178.1	0	0	0	0	109.1	I51 Q52	C10-I51 VanDerWaalsContact O-CA 3.29Å; C10-I51 WeakPolarHBondContact O-CA 3.35Å; C10-Q52 HydrophobicContact CB-CG 3.66Å; C10-Q52 PolarHBondContact N-O 3.4Å; C10-Q52 PolarHBondContact O-N 3.16Å
11	K	98.8	Very high	88.8	Confident	104 Å²	104	89.2 Å²	89.2	45%	0.452	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.7	175.1	-65.9	-173.5	177.9	-162	0	109.3	A16 T18 I51	K11-A16 HydrophobicContact CB-CB 3.85Å; K11-A16 HydrophobicContact CD-CB 4.09Å; K11-A16 WeakPolarHBondContact CE-O 3.4Å; K11-A16 HydrophobicContact CG-CB 3.82Å; K11-A16 PolarHBondContact NZ-O 2.99Å; K11-T18 WeakPolarHBondContact CE-OG1 3.15Å; K11-I51 HydrophobicContact CG-CG2 4.44Å
12	L	98.7	Very high	91.3	Very high	79 Å²	79	80.9 Å²	80.9	41%	0.414	43%	0.433	S	S	.	.	S	Bend	trans	-90.8	-15.3	-179.6	-57.7	172.1	0	0	0	112.1	D50 Q52 N89	L12-D50 HydrophobicContact CB-CB 4.48Å; L12-D50 WeakPolarHBondContact CB-O 3.3Å; L12-D50 PolarHBondContact N-O 2.61Å; L12-Q52 HydrophobicContact CD1-CB 4.32Å; L12-Q52 HydrophobicContact CD2-CB 4.26Å; L12-Q52 HydrophobicContact CD2-CG 3.98Å; L12-Q52 HydrophobicContact CG-CB 4.49Å; L12-N89 HydrophobicContact CD1-CB 3.67Å
13	S	98.6	Very high	93.7	Very high	34 Å²	34	79.7 Å²	79.7	24%	0.238	42%	0.418	C	S	.	.	S	Bend	trans	-150.8	172.9	177.1	78.3	0	0	0	0	112	Y15 A16 D50	S13-Y15 PolarHBondContact O-N 3.16Å; S13-Y15 WeakPolarHBondContact OG-CB 3.47Å; S13-Y15 PolarHBondContact OG-N 3.16Å; S13-A16 PolarHBondContact O-N 3.15Å; S13-D50 VanDerWaalsContact CB-OD2 3.25Å; S13-D50 WeakPolarHBondContact CB-OD2 3.13Å; S13-D50 VanDerWaalsContact OG-CB 3.29Å; S13-D50 WeakPolarHBondContact OG-CB 3.37Å; S13-D50 PolarHBondContact OG-OD2 2.93Å
14	E	98.4	Very high	95.7	Very high	158 Å²	158	81.1 Å²	81.1	74%	0.738	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14	170.2	67.6	-172.5	135	0	0	113.6
15	Y	98.7	Very high	97.2	Very high	85 Å²	85	89.3 Å²	89.3	33%	0.333	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.2	-180	-52.5	-42.5	0	0	0	112.6	S13 Y35 R106	S13-Y15 PolarHBondContact O-N 3.16Å; S13-Y15 WeakPolarHBondContact OG-CB 3.47Å; S13-Y15 PolarHBondContact OG-N 3.16Å; Y15-Y35 HydrophobicContact CD2-CD1 4.42Å; Y15-Y35 AromaticContact CD2-CE1 3.52Å; Y15-Y35 HydrophobicContact CD2-CE1 3.52Å; Y15-Y35 AromaticContact CD2-CZ 3.88Å; Y15-Y35 AromaticContact CE2-CE1 3.95Å; Y15-Y35 HydrophobicContact CE2-CE1 3.95Å; Y15-Y35 HydrophobicContact CG-CE1 4.4Å; Y15-R106 VanDerWaalsContact CD1-NH1 3.31Å
16	A	98.8	Very high	97.9	Very high	4 Å²	4	82.6 Å²	82.6	3%	0.033	43%	0.43	C	S	.	.			trans	-67.7	131.6	179.8	0	0	0	0	0	113.1	K11 S13 D50 I51	K11-A16 HydrophobicContact CB-CB 3.85Å; K11-A16 HydrophobicContact CD-CB 4.09Å; K11-A16 WeakPolarHBondContact CE-O 3.4Å; K11-A16 HydrophobicContact CG-CB 3.82Å; K11-A16 PolarHBondContact NZ-O 2.99Å; S13-A16 PolarHBondContact O-N 3.15Å; A16-D50 HydrophobicContact CB-CB 3.83Å; A16-D50 WeakPolarHBondContact CB-O 3.4Å; A16-I51 HydrophobicContact CB-CG2 3.96Å
17	T	98.9	Very high	98.1	Very high	53 Å²	53	80.4 Å²	80.4	33%	0.325	43%	0.434	S	S	.	.			trans	-106.2	135.7	172.8	-58.6	0	0	0	0	110	Y32	T17-Y32 HydrophobicContact CG2-CD1 3.73Å; T17-Y32 HydrophobicContact CG2-CD2 3.79Å; T17-Y32 HydrophobicContact CG2-CE1 3.95Å; T17-Y32 HydrophobicContact CG2-CE2 4.02Å; T17-Y32 HydrophobicContact CG2-CG 3.66Å
18	T	98.7	Very high	98.1	Very high	81 Å²	81	78.7 Å²	78.7	50%	0.497	43%	0.426	S	S	.	.			trans	-63.5	129	178.7	-55.2	0	0	0	0	109.4	K11	K11-T18 WeakPolarHBondContact CE-OG1 3.15Å
19	P	98.7	Very high	98.2	Very high	15 Å²	15	74.2 Å²	74.2	10%	0.097	41%	0.41	C	S	.	.			trans	-56.3	142.7	176.9	-26.6	35.1	0	0	0	112.5	F29 D30 L31 I51	P19-F29 HydrophobicContact CB-CB 3.71Å; P19-F29 HydrophobicContact CB-CG 4.44Å; P19-D30 WeakPolarHBondContact CA-O 3.11Å; P19-L31 HydrophobicContact CB-CD2 4.28Å; P19-L31 HydrophobicContact CG-CD2 3.99Å; P19-I51 HydrophobicContact CG-CD1 3.51Å
20	T	98.6	Very high	98.2	Very high	53 Å²	53	72.1 Å²	72.1	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146	-174.3	57.1	0	0	0	0	111.9	F29 D30 Y32	T20-F29 CarbonylContact O-C 3.48Å; T20-F29 WeakPolarHBondContact O-CA 3.36Å; T20-D30 PolarHBondContact N-O 3.46Å; T20-D30 PolarHBondContact O-N 3.24Å; T20-Y32 HydrophobicContact CG2-CE2 4.14Å; T20-Y32 WeakPolarHBondContact CG2-OH 3.45Å; T20-Y32 PolarHBondContact OG1-OH 2.93Å
21	R	97.7	Very high	98.2	Very high	151 Å²	151	69.2 Å²	69.2	57%	0.57	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.6	168.9	-87.9	-172.2	-85.9	-139.9	-2.7	111.1	S23 A26 F29	R21-S23 VanDerWaalsContact C-N 3.28Å; R21-S23 PolarHBondContact O-N 2.85Å; R21-A26 HydrophobicContact CB-CB 4.44Å; R21-A26 HydrophobicContact CG-CB 4.4Å; R21-F29 HydrophobicContact CG-CD1 3.83Å; R21-F29 HydrophobicContact CG-CE1 3.79Å; R21-F29 HydrophobicContact CG-CG 4.35Å; R21-F29 HydrophobicContact CG-CZ 4.27Å
22	G	96.1	Very high	98.2	Very high	60 Å²	60	66 Å²	66	62%	0.619	36%	0.363	S	S	*	.	S	Bend	trans	-71.8	-20.4	176	0	0	0	0	0	114.1
23	S	97.5	Very high	98.2	Very high	70 Å²	70	62.3 Å²	62.3	49%	0.49	34%	0.343	S	S	.	.	S	Bend	trans	-157.5	169.6	175.2	73	0	0	0	0	110.6	R21 R25 A26	R21-S23 VanDerWaalsContact C-N 3.28Å; R21-S23 PolarHBondContact O-N 2.85Å; S23-R25 PolarHBondContact O-N 2.95Å; S23-R25 VanDerWaalsContact O-N 3.15Å; S23-A26 WeakPolarHBondContact O-CB 3.27Å; S23-A26 PolarHBondContact O-N 2.94Å; S23-A26 VanDerWaalsContact O-N 3.17Å; S23-A26 PolarHBondContact OG-N 3.47Å
24	S	96.9	Very high	98.2	Very high	112 Å²	112	60.7 Å²	60.7	78%	0.783	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.7	-176.3	58.2	0	0	0	0	114.1
25	R	96.8	Very high	98.2	Very high	231 Å²	231	57.2 Å²	57.2	87%	0.872	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	24	178.5	-61.8	-170	-66.3	-179.9	-0.9	112.6	S23 A27	S23-R25 PolarHBondContact O-N 2.95Å; S23-R25 VanDerWaalsContact O-N 3.15Å; R25-A27 PolarHBondContact O-N 3.16Å
26	A	97.8	Very high	98.2	Very high	26 Å²	26	59.9 Å²	59.9	22%	0.215	33%	0.328	C	S	.	.			trans	-57.9	132.9	172.6	0	0	0	0	0	109.7	R21 S23 G28	R21-A26 HydrophobicContact CB-CB 4.44Å; R21-A26 HydrophobicContact CG-CB 4.4Å; S23-A26 WeakPolarHBondContact O-CB 3.27Å; S23-A26 PolarHBondContact O-N 2.94Å; S23-A26 VanDerWaalsContact O-N 3.17Å; S23-A26 PolarHBondContact OG-N 3.47Å; A26-G28 VanDerWaalsContact C-N 3.3Å; A26-G28 PolarHBondContact O-N 2.75Å
27	A	98	Very high	98.2	Very high	76 Å²	76	62.3 Å²	62.3	63%	0.628	34%	0.337	S	S	*	.	S	Bend	trans	-65.1	-35.8	-179.6	0	0	0	0	0	112.2	R25 I114	R25-A27 PolarHBondContact O-N 3.16Å; A27-I114 HydrophobicContact CB-CD1 4.48Å
28	G	98	Very high	98.2	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.021	34%	0.342	C	S	.	.	S	Bend	trans	-118.8	161	-178.3	0	0	0	0	0	114.4	A26 L113	A26-G28 VanDerWaalsContact C-N 3.3Å; A26-G28 PolarHBondContact O-N 2.75Å; G28-L113 CarbonylContact C-O 3.6Å; G28-L113 WeakPolarHBondContact CA-O 3.28Å
29	F	98.7	Very high	98.2	Very high	45 Å²	45	60.3 Å²	60.3	20%	0.197	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.6	166	-63.9	-96.5	0	0	0	109	L7 P19 T20 R21 L31 Q112 L113	L7-F29 HydrophobicContact CD2-CD2 3.87Å; L7-F29 HydrophobicContact CD2-CE2 3.93Å; L7-F29 HydrophobicContact CD2-CG 4.43Å; P19-F29 HydrophobicContact CB-CB 3.71Å; P19-F29 HydrophobicContact CB-CG 4.44Å; T20-F29 CarbonylContact O-C 3.48Å; T20-F29 WeakPolarHBondContact O-CA 3.36Å; R21-F29 HydrophobicContact CG-CD1 3.83Å; R21-F29 HydrophobicContact CG-CE1 3.79Å; R21-F29 HydrophobicContact CG-CG 4.35Å; R21-F29 HydrophobicContact CG-CZ 4.27Å; F29-L31 PolarHBondContact O-N 2.99Å; F29-Q112 CarbonylContact O-C 3.5Å; F29-Q112 WeakPolarHBondContact O-CA 3.43Å; F29-L113 PolarHBondContact N-O 3.23Å; F29-L113 PolarHBondContact O-N 3.43Å
30	D	98.8	Very high	98.2	Very high	14 Å²	14	64.8 Å²	64.8	8%	0.075	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	128.9	172.7	-78.2	-33.7	0	0	0	109.5	P19 T20 Y32 R66 R109 A111	P19-D30 WeakPolarHBondContact CA-O 3.11Å; T20-D30 PolarHBondContact N-O 3.46Å; T20-D30 PolarHBondContact O-N 3.24Å; D30-Y32 HydrophobicContact CB-CE2 4.3Å; D30-Y32 WeakPolarHBondContact O-CD2 3.29Å; D30-Y32 WeakPolarHBondContact O-CE2 3.26Å; D30-R66 IonicContact OD1-CZ 2.85Å; D30-R66 IonicContact OD1-NE 3.36Å; D30-R66 PolarHBondContact OD1-NE 3.19Å; D30-R66 IonicContact OD1-NH2 3.75Å; D30-R66 IonicContact OD2-NH2 3.59Å; D30-R109 HydrophobicContact CB-CB 4.39Å; D30-R109 HydrophobicContact CB-CG 4.1Å; D30-R109 VanDerWaalsContact OD2-CD 3.31Å; D30-R109 WeakPolarHBondContact OD2-CD 3.1Å; D30-R109 IonicContact OD2-CZ 3.08Å; D30-R109 IonicContact OD2-NE 3.65Å; D30-R109 IonicContact OD2-NH1 2.66Å; D30-R109 PolarHBondContact OD2-NH1 2.82Å; D30-A111 WeakPolarHBondContact CA-O 3.49Å
31	L	98.9	Very high	98.2	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.2	174.6	-65.2	-179.3	0	0	0	110.1	P19 F29 T49 I51 I63 V90 V92 R109 I110 A111 L113	P19-L31 HydrophobicContact CB-CD2 4.28Å; P19-L31 HydrophobicContact CG-CD2 3.99Å; F29-L31 PolarHBondContact O-N 2.99Å; L31-T49 HydrophobicContact CB-CG2 4.34Å; L31-I51 HydrophobicContact CD2-CD1 4.09Å; L31-I63 HydrophobicContact CD1-CD1 4.47Å; L31-I63 HydrophobicContact CD1-CG1 4.33Å; L31-I63 HydrophobicContact CD1-CG2 4.18Å; L31-V90 HydrophobicContact CD1-CG1 4.41Å; L31-V92 HydrophobicContact CD1-CG2 3.95Å; L31-R109 CarbonylContact O-C 3.59Å; L31-R109 WeakPolarHBondContact O-CA 3.4Å; L31-I110 PolarHBondContact O-N 3.17Å; L31-A111 PolarHBondContact N-O 3.46Å; L31-L113 HydrophobicContact CD1-CB 4.11Å; L31-L113 HydrophobicContact CD2-CB 4.04Å; L31-L113 HydrophobicContact CG-CB 4.09Å
32	Y	98.9	Very high	98.2	Very high	36 Å²	36	61.4 Å²	61.4	14%	0.141	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.7	-171.8	-65.5	-102.7	0	0	0	110.2	T17 T20 D30 G107 D108 R109	T17-Y32 HydrophobicContact CG2-CD1 3.73Å; T17-Y32 HydrophobicContact CG2-CD2 3.79Å; T17-Y32 HydrophobicContact CG2-CE1 3.95Å; T17-Y32 HydrophobicContact CG2-CE2 4.02Å; T17-Y32 HydrophobicContact CG2-CG 3.66Å; T20-Y32 HydrophobicContact CG2-CE2 4.14Å; T20-Y32 WeakPolarHBondContact CG2-OH 3.45Å; T20-Y32 PolarHBondContact OG1-OH 2.93Å; D30-Y32 HydrophobicContact CB-CE2 4.3Å; D30-Y32 WeakPolarHBondContact O-CD2 3.29Å; D30-Y32 WeakPolarHBondContact O-CE2 3.26Å; Y32-G107 VanDerWaalsContact CD1-O 3.29Å; Y32-G107 WeakPolarHBondContact CD1-O 3.49Å; Y32-D108 CarbonylContact C-O 3.55Å; Y32-D108 VanDerWaalsContact CA-O 3.27Å; Y32-D108 WeakPolarHBondContact CA-O 3.46Å; Y32-R109 HydrophobicContact CD1-CG 3.68Å; Y32-R109 HydrophobicContact CE1-CG 3.26Å; Y32-R109 HydrophobicContact CE2-CG 4.19Å; Y32-R109 HydrophobicContact CG-CG 4.31Å
33	S	98.9	Very high	98.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	34%	0.335	C	S	.	.			trans	-69.3	130.5	171.3	-167.6	0	0	0	0	110.5	Y35 Y37 V104 G107 D108	S33-Y35 VanDerWaalsContact C-N 3.33Å; S33-Y35 PolarHBondContact OG-N 3.37Å; S33-Y35 PolarHBondContact OG-O 2.65Å; S33-Y37 WeakPolarHBondContact OG-CE2 3.47Å; S33-V104 WeakPolarHBondContact OG-CG1 3.34Å; S33-G107 PolarHBondContact O-N 3.4Å; S33-D108 PolarHBondContact N-O 3.13Å
34	A	98.9	Very high	98.4	Very high	1 Å²	1	61 Å²	61	1%	0.008	34%	0.337	C	S	.	.	S	Bend	trans	-78.2	-22	172	0	0	0	0	0	112.2	M48 D50 R106	A34-M48 WeakPolarHBondContact CB-O 3.4Å; A34-M48 PolarHBondContact N-O 2.83Å; A34-D50 HydrophobicContact CB-CB 3.83Å; A34-R106 WeakPolarHBondContact O-CD 3.39Å; A34-R106 WeakPolarHBondContact O-CG 3.23Å
35	Y	98.8	Very high	98.4	Very high	85 Å²	85	56.8 Å²	56.8	33%	0.333	31%	0.307	S	S	.	.	S	Bend	trans	-133.9	171.4	-173.7	-53.9	-80.3	0	0	0	112.6	Y15 S33 Y37 M48 D50	Y15-Y35 HydrophobicContact CD2-CD1 4.42Å; Y15-Y35 AromaticContact CD2-CE1 3.52Å; Y15-Y35 HydrophobicContact CD2-CE1 3.52Å; Y15-Y35 AromaticContact CD2-CZ 3.88Å; Y15-Y35 AromaticContact CE2-CE1 3.95Å; Y15-Y35 HydrophobicContact CE2-CE1 3.95Å; Y15-Y35 HydrophobicContact CG-CE1 4.4Å; S33-Y35 VanDerWaalsContact C-N 3.33Å; S33-Y35 PolarHBondContact OG-N 3.37Å; S33-Y35 PolarHBondContact OG-O 2.65Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.13Å; Y35-M48 HydrophobicContact CD2-CB 4.07Å; Y35-M48 HydrophobicContact CE2-CB 4.06Å; Y35-D50 WeakPolarHBondContact CE2-OD1 3.37Å; Y35-D50 WeakPolarHBondContact CE2-OD2 3.25Å; Y35-D50 VanDerWaalsContact CZ-OD2 3.27Å; Y35-D50 PolarHBondContact OH-OD2 2.93Å
36	E	98.7	Very high	98.5	Very high	140 Å²	140	49.2 Å²	49.2	65%	0.654	29%	0.286	S	S	*	.			trans	-85.4	139.1	172	-60.2	-179.7	-170.6	0	0	110.5	V104 Q105	E36-V104 CarbonylContact C-O 3.55Å; E36-V104 VanDerWaalsContact CA-O 3.23Å; E36-V104 WeakPolarHBondContact CA-O 3.44Å; E36-Q105 PolarHBondContact OE1-OE1 3.33Å
37	Y	98.7	Very high	98.6	Very high	55 Å²	55	48 Å²	48	22%	0.216	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.9	175.5	-58.2	-91.7	0	0	0	110.4	S33 Y35 V46 C47 M48 V104	S33-Y37 WeakPolarHBondContact OG-CE2 3.47Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.13Å; Y37-V46 WeakPolarHBondContact CE1-O 3.46Å; Y37-C47 HydrophobicContact CD2-CB 4.03Å; Y37-C47 WeakPolarHBondContact CD2-SG 3.45Å; Y37-C47 HydrophobicContact CE2-CB 3.85Å; Y37-M48 PolarHBondContact OH-N 2.87Å; Y37-V104 HydrophobicContact CD2-CB 4.4Å; Y37-V104 HydrophobicContact CD2-CG1 4.22Å; Y37-V104 PolarHBondContact N-O 3.32Å; Y37-V104 PolarHBondContact O-N 2.97Å
38	E	98.4	Very high	98.6	Very high	91 Å²	91	47.6 Å²	47.6	43%	0.425	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.4	167.7	-164.9	172.4	87.7	0	0	108.5	K101 R103	E38-K101 HydrophobicContact CG-CB 4.31Å; E38-K101 HydrophobicContact CG-CD 4.39Å; E38-K101 IonicContact OE1-NZ 3.71Å; E38-K101 WeakPolarHBondContact OE2-CD 3.49Å; E38-K101 WeakPolarHBondContact OE2-CE 3.2Å; E38-K101 IonicContact OE2-NZ 2.94Å; E38-K101 PolarHBondContact OE2-NZ 3.11Å; E38-R103 HydrophobicContact CG-CG 4.13Å; E38-R103 IonicContact OE2-CZ 3.98Å; E38-R103 IonicContact OE2-NE 2.94Å; E38-R103 PolarHBondContact OE2-NE 3.39Å; E38-R103 IonicContact OE2-NH2 3.75Å; E38-R103 PolarHBondContact OE2-NH2 3.11Å
39	I	98.6	Very high	98.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.4	178.7	-40.3	-178.5	0	0	0	108	C45 L94 N96 K101 F102	I39-C45 WeakPolarHBondContact CD1-SG 3.49Å; I39-C45 HydrophobicContact CG1-CB 4.29Å; I39-C45 WeakPolarHBondContact CG1-SG 3.36Å; I39-L94 HydrophobicContact CD1-CB 3.5Å; I39-L94 HydrophobicContact CD1-CD1 3.94Å; I39-L94 HydrophobicContact CD1-CG 4.39Å; I39-N96 HydrophobicContact CB-CB 4.03Å; I39-N96 HydrophobicContact CG2-CB 3.54Å; I39-N96 PolarHBondContact O-ND2 2.83Å; I39-K101 WeakPolarHBondContact O-CA 3.33Å; I39-F102 HydrophobicContact CB-CB 4.48Å; I39-F102 HydrophobicContact CD1-CD1 4.14Å; I39-F102 PolarHBondContact N-O 3.38Å; I39-F102 PolarHBondContact O-N 3.41Å
40	L	98.5	Very high	98.6	Very high	108 Å²	108	45.8 Å²	45.8	57%	0.565	25%	0.254	S	S	*	.			trans	-66.7	154.2	176.5	-61.2	-178.8	0	0	0	111.1	G42 G43 N96	L40-G42 PolarHBondContact O-N 3.47Å; L40-G43 WeakPolarHBondContact O-CA 3.22Å; L40-G43 PolarHBondContact O-N 2.75Å; L40-N96 PolarHBondContact O-ND2 2.84Å
41	P	98.6	Very high	98.7	Very high	62 Å²	62	45.2 Å²	45.2	40%	0.403	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	131.6	171.7	-28.1	36.4	0	0	0	112.1	G43 G98 K99	P41-G43 PolarHBondContact O-N 3.34Å; P41-G98 WeakPolarHBondContact CB-O 3.19Å; P41-K99 WeakPolarHBondContact CG-O 3.43Å
42	G	98.2	Very high	98.6	Very high	72 Å²	72	48.1 Å²	48.1	74%	0.742	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	0.8	-176.4	0	0	0	0	0	114.8	L40 N96	L40-G42 PolarHBondContact O-N 3.47Å; G42-N96 WeakPolarHBondContact CA-O 3.44Å; G42-N96 PolarHBondContact N-O 3.01Å
43	G	98.5	Very high	98.6	Very high	24 Å²	24	46.6 Å²	46.6	25%	0.247	26%	0.259	C	S	.	.			trans	-95.1	178.9	179.7	0	0	0	0	0	113.8	L40 P41 N96	L40-G43 WeakPolarHBondContact O-CA 3.22Å; L40-G43 PolarHBondContact O-N 2.75Å; P41-G43 PolarHBondContact O-N 3.34Å; G43-N96 PolarHBondContact O-N 3.43Å
44	N	98.5	Very high	98.6	Very high	98 Å²	98	47 Å²	47	52%	0.524	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.3	172.7	67.5	-17.1	0	0	0	111.5	L94 F95	N44-L94 CarbonylContact C-O 3.56Å; N44-L94 WeakPolarHBondContact CA-O 3.47Å; N44-L94 VanDerWaalsContact CB-O 3.23Å; N44-L94 WeakPolarHBondContact CB-O 3.43Å; N44-F95 HydrophobicContact CB-CD1 3.52Å; N44-F95 HydrophobicContact CB-CE1 3.63Å; N44-F95 HydrophobicContact CB-CG 4.26Å; N44-F95 HydrophobicContact CB-CZ 4.47Å
45	C	97.9	Very high	98.6	Very high	22 Å²	22	47.2 Å²	47.2	15%	0.149	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163.5	168.3	73.6	0	0	0	0	111.2	I39 C47 V93 L94	I39-C45 WeakPolarHBondContact CD1-SG 3.49Å; I39-C45 HydrophobicContact CG1-CB 4.29Å; I39-C45 WeakPolarHBondContact CG1-SG 3.36Å; C45-C47 PolarHBondContact SG-SG 3.31Å; C45-V93 WeakPolarHBondContact O-CA 3.5Å; C45-L94 PolarHBondContact N-O 2.8Å; C45-L94 PolarHBondContact O-N 2.9Å
46	V	98.7	Very high	98.5	Very high	73 Å²	73	43.8 Å²	43.8	44%	0.442	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.2	168.1	-172.7	0	0	0	0	108.2	Y37 M48 V92 V93	Y37-V46 WeakPolarHBondContact CE1-O 3.46Å; V46-M48 HydrophobicContact CG1-CE 3.89Å; V46-M48 HydrophobicContact CG1-SD 4.36Å; V46-V92 CarbonylContact C-O 3.59Å; V46-V92 WeakPolarHBondContact CA-O 3.46Å; V46-V93 HydrophobicContact CG2-CG2 4.32Å
47	C	98.7	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.8	174.1	-66	0	0	0	0	109.8	Y37 C45 V92 I110	Y37-C47 HydrophobicContact CD2-CB 4.03Å; Y37-C47 WeakPolarHBondContact CD2-SG 3.45Å; Y37-C47 HydrophobicContact CE2-CB 3.85Å; C45-C47 PolarHBondContact SG-SG 3.31Å; C47-V92 HydrophobicContact CB-CB 4.39Å; C47-V92 PolarHBondContact N-O 3.31Å; C47-V92 PolarHBondContact O-N 3.08Å; C47-I110 HydrophobicContact CB-CD1 3.28Å
48	M	98.8	Very high	98.3	Very high	67 Å²	67	42.6 Å²	42.6	33%	0.33	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.3	176.9	-64.6	-60.2	175.4	0	0	110.6	A34 Y35 Y37 V46	A34-M48 WeakPolarHBondContact CB-O 3.4Å; A34-M48 PolarHBondContact N-O 2.83Å; Y35-M48 HydrophobicContact CD2-CB 4.07Å; Y35-M48 HydrophobicContact CE2-CB 4.06Å; Y37-M48 PolarHBondContact OH-N 2.87Å; V46-M48 HydrophobicContact CG1-CE 3.89Å; V46-M48 HydrophobicContact CG1-SD 4.36Å
49	T	98.9	Very high	98.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	24%	0.238	C	C	.	.			trans	-98.5	-16.4	177.3	62.9	0	0	0	0	112.7	L31 I51 V90 V92	L31-T49 HydrophobicContact CB-CG2 4.34Å; T49-I51 PolarHBondContact O-N 2.85Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.3Å; T49-I51 PolarHBondContact OG1-N 2.84Å; T49-V90 WeakPolarHBondContact CB-O 3.3Å; T49-V90 WeakPolarHBondContact CG2-O 3.15Å; T49-V90 PolarHBondContact N-O 2.66Å; T49-V90 PolarHBondContact OG1-O 3.48Å; T49-V92 HydrophobicContact CG2-CG2 3.88Å
50	D	98.8	Very high	98.2	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	24%	0.244	C	C	.	.			trans	54.1	31.3	-172.2	-75.1	4.6	0	0	0	113.7	L12 S13 A16 A34 Y35 N89	L12-D50 HydrophobicContact CB-CB 4.48Å; L12-D50 WeakPolarHBondContact CB-O 3.3Å; L12-D50 PolarHBondContact N-O 2.61Å; S13-D50 VanDerWaalsContact CB-OD2 3.25Å; S13-D50 WeakPolarHBondContact CB-OD2 3.13Å; S13-D50 VanDerWaalsContact OG-CB 3.29Å; S13-D50 WeakPolarHBondContact OG-CB 3.37Å; S13-D50 PolarHBondContact OG-OD2 2.93Å; A16-D50 HydrophobicContact CB-CB 3.83Å; A16-D50 WeakPolarHBondContact CB-O 3.4Å; A34-D50 HydrophobicContact CB-CB 3.83Å; Y35-D50 WeakPolarHBondContact CE2-OD1 3.37Å; Y35-D50 WeakPolarHBondContact CE2-OD2 3.25Å; Y35-D50 VanDerWaalsContact CZ-OD2 3.27Å; Y35-D50 PolarHBondContact OH-OD2 2.93Å; D50-N89 VanDerWaalsContact CA-OD1 3.3Å; D50-N89 WeakPolarHBondContact CA-OD1 3.19Å; D50-N89 PolarHBondContact N-OD1 2.78Å; D50-N89 PolarHBondContact OD1-ND2 2.74Å
51	I	98.9	Very high	98.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.4	165.7	61.8	165.7	0	0	0	110.1	V9 C10 K11 A16 P19 L31 T49 V53 V90	V9-I51 HydrophobicContact CG1-CB 3.85Å; V9-I51 HydrophobicContact CG1-CD1 3.96Å; V9-I51 HydrophobicContact CG1-CG1 4.49Å; V9-I51 HydrophobicContact CG1-CG2 3.93Å; C10-I51 VanDerWaalsContact O-CA 3.29Å; C10-I51 WeakPolarHBondContact O-CA 3.35Å; K11-I51 HydrophobicContact CG-CG2 4.44Å; A16-I51 HydrophobicContact CB-CG2 3.96Å; P19-I51 HydrophobicContact CG-CD1 3.51Å; L31-I51 HydrophobicContact CD2-CD1 4.09Å; T49-I51 PolarHBondContact O-N 2.85Å; T49-I51 WeakPolarHBondContact OG1-CG1 3.3Å; T49-I51 PolarHBondContact OG1-N 2.84Å; I51-V53 HydrophobicContact CD1-CG1 3.85Å; I51-V53 HydrophobicContact CG1-CG1 4.42Å; I51-V90 HydrophobicContact CG1-CB 4.31Å; I51-V90 HydrophobicContact CG1-CG2 4.5Å; I51-V90 PolarHBondContact O-N 3.37Å
52	Q	98.7	Very high	98.2	Very high	63 Å²	63	36.4 Å²	36.4	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	150.5	156.9	65.2	-179.2	24.2	0	0	108.5	V9 C10 L12 R87 G88	V9-Q52 WeakPolarHBondContact CA-O 3.46Å; C10-Q52 HydrophobicContact CB-CG 3.66Å; C10-Q52 PolarHBondContact N-O 3.4Å; C10-Q52 PolarHBondContact O-N 3.16Å; L12-Q52 HydrophobicContact CD1-CB 4.32Å; L12-Q52 HydrophobicContact CD2-CB 4.26Å; L12-Q52 HydrophobicContact CD2-CG 3.98Å; L12-Q52 HydrophobicContact CG-CB 4.49Å; Q52-R87 PolarHBondContact OE1-O 2.64Å; Q52-G88 WeakPolarHBondContact CA-O 3.33Å; Q52-G88 VanDerWaalsContact CB-O 3.26Å; Q52-G88 WeakPolarHBondContact CB-O 3.31Å
53	V	98.6	Very high	98.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.9	-179.1	-60.4	0	0	0	0	110.6	L7 R8 V9 I51 I55 I82 Y86 R87 V90 L113	L7-V53 HydrophobicContact CD1-CB 4.15Å; R8-V53 CarbonylContact O-C 3.53Å; R8-V53 VanDerWaalsContact O-CA 3.27Å; R8-V53 WeakPolarHBondContact O-CA 3.47Å; V9-V53 HydrophobicContact CG1-CG1 4.46Å; V9-V53 HydrophobicContact CG2-CG1 4.18Å; I51-V53 HydrophobicContact CD1-CG1 3.85Å; I51-V53 HydrophobicContact CG1-CG1 4.42Å; V53-I55 HydrophobicContact CB-CD1 4.31Å; V53-I55 HydrophobicContact CG2-CD1 3.69Å; V53-I55 HydrophobicContact CG2-CG1 4.23Å; V53-I82 HydrophobicContact CG2-CG2 4.08Å; V53-Y86 VanDerWaalsContact O-O 3.11Å; V53-R87 PolarHBondContact O-NH1 2.6Å; V53-V90 HydrophobicContact CG1-CG2 4.13Å; V53-V90 HydrophobicContact CG2-CG2 3.8Å; V53-L113 HydrophobicContact CG1-CD2 4.43Å
54	A	98.4	Very high	98.3	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.7	160.2	0	0	0	0	0	107.3	R8	R8-A54 HydrophobicContact CB-CB 4.21Å; R8-A54 PolarHBondContact N-O 2.92Å; R8-A54 VanDerWaalsContact N-O 3.09Å; R8-A54 PolarHBondContact O-N 3.09Å
55	I	98	Very high	98.3	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-69.7	145.4	179.5	-54.1	-59.1	0	0	0	108.6	L7 V53 C59 E84 L113	L7-I55 HydrophobicContact CD1-CD1 3.68Å; V53-I55 HydrophobicContact CB-CD1 4.31Å; V53-I55 HydrophobicContact CG2-CD1 3.69Å; V53-I55 HydrophobicContact CG2-CG1 4.23Å; I55-C59 HydrophobicContact CG2-CB 3.83Å; I55-C59 VanDerWaalsContact CG2-O 3.28Å; I55-C59 WeakPolarHBondContact CG2-O 3.44Å; I55-E84 HydrophobicContact CB-CG 4.45Å; I55-L113 HydrophobicContact CD1-CD2 4.23Å
56	P	97	Very high	98.3	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.078	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-60.5	147.4	173.9	-20.3	31.4	0	0	0	112.3	S4 C59	S4-P56 WeakPolarHBondContact O-CB 3.42Å; P56-C59 WeakPolarHBondContact O-CB 3.5Å; P56-C59 PolarHBondContact O-N 3.5Å; P56-C59 VanDerWaalsContact O-N 3.16Å
57	E	96.5	Very high	98.3	Very high	148 Å²	148	32.4 Å²	32.4	69%	0.692	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.7	178.3	-170.4	-179.8	177.4	0	0	112.7	C59 E84	E57-C59 VanDerWaalsContact C-N 3.27Å; E57-C59 PolarHBondContact O-N 3.39Å; E57-E84 WeakPolarHBondContact CA-OE1 3.29Å; E57-E84 WeakPolarHBondContact CA-OE2 3.42Å
58	G	96.4	Very high	98.2	Very high	23 Å²	23	34 Å²	34	24%	0.237	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	16.5	-178.8	0	0	0	0	0	113.5	E84 K117 I118	G58-E84 PolarHBondContact N-OE2 3.42Å; G58-K117 WeakPolarHBondContact O-CA 3.33Å; G58-I118 PolarHBondContact O-N 3.06Å
59	C	97.6	Very high	98.1	Very high	13 Å²	13	32 Å²	32	9%	0.088	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.7	172.7	-57.3	0	0	0	0	110.5	I55 P56 E57 C115 E116	I55-C59 HydrophobicContact CG2-CB 3.83Å; I55-C59 VanDerWaalsContact CG2-O 3.28Å; I55-C59 WeakPolarHBondContact CG2-O 3.44Å; P56-C59 WeakPolarHBondContact O-CB 3.5Å; P56-C59 PolarHBondContact O-N 3.5Å; P56-C59 VanDerWaalsContact O-N 3.16Å; E57-C59 VanDerWaalsContact C-N 3.27Å; E57-C59 PolarHBondContact O-N 3.39Å; C59-C115 HydrophobicContact CB-CB 4.37Å; C59-E116 CarbonylContact C-O 3.55Å; C59-E116 WeakPolarHBondContact CA-O 3.34Å; C59-E116 WeakPolarHBondContact CB-O 3.44Å
60	Y	98.5	Very high	98.1	Very high	38 Å²	38	33.8 Å²	33.8	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	160	158.5	81.4	-73.8	0	0	0	110	R62 V81 C115 E116 I118	Y60-R62 HydrophobicContact CD2-CB 4.46Å; Y60-R62 HydrophobicContact CE2-CB 3.63Å; Y60-R62 HydrophobicContact CE2-CG 4.23Å; Y60-R62 WeakPolarHBondContact OH-CD 3.46Å; Y60-V81 HydrophobicContact CD2-CB 4.39Å; Y60-V81 HydrophobicContact CD2-CG1 3.86Å; Y60-V81 HydrophobicContact CE2-CB 4.47Å; Y60-V81 HydrophobicContact CE2-CG1 4.3Å; Y60-V81 HydrophobicContact CE2-CG2 4.15Å; Y60-C115 WeakPolarHBondContact O-CA 3.46Å; Y60-E116 HydrophobicContact CD1-CB 3.84Å; Y60-E116 HydrophobicContact CE1-CB 3.34Å; Y60-E116 HydrophobicContact CE1-CG 4.18Å; Y60-E116 WeakPolarHBondContact CE1-OE2 3.34Å; Y60-E116 PolarHBondContact N-O 3.27Å; Y60-E116 PolarHBondContact O-N 3.03Å; Y60-E116 PolarHBondContact OH-OE2 2.9Å; Y60-I118 HydrophobicContact CD1-CD1 4.27Å; Y60-I118 HydrophobicContact CD1-CG2 3.51Å; Y60-I118 HydrophobicContact CE1-CG2 3.78Å
61	G	98.6	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.1	173.7	0	0	0	0	0	110.8	G80 I82 I114	G61-G80 VanDerWaalsContact O-O 3.12Å; G61-I82 PolarHBondContact N-O 2.8Å; G61-I82 VanDerWaalsContact O-CB 3.3Å; G61-I82 WeakPolarHBondContact O-CB 3.27Å; G61-I82 PolarHBondContact O-N 3.49Å; G61-I114 CarbonylContact C-O 3.45Å
62	R	98.9	Very high	98	Very high	82 Å²	82	47 Å²	47	31%	0.309	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.2	170.2	-171.1	167.6	56.6	93	-0.1	111.1	Y60 A64 G80 L113 I114 E116	Y60-R62 HydrophobicContact CD2-CB 4.46Å; Y60-R62 HydrophobicContact CE2-CB 3.63Å; Y60-R62 HydrophobicContact CE2-CG 4.23Å; Y60-R62 WeakPolarHBondContact OH-CD 3.46Å; R62-A64 VanDerWaalsContact NH1-CB 3.33Å; R62-A64 PolarHBondContact O-N 2.76Å; R62-G80 CarbonylContact C-O 3.55Å; R62-G80 WeakPolarHBondContact CA-O 3.32Å; R62-L113 CarbonylContact O-C 3.54Å; R62-L113 WeakPolarHBondContact O-CA 3.47Å; R62-I114 PolarHBondContact N-O 3.38Å; R62-I114 PolarHBondContact O-N 2.92Å; R62-E116 HydrophobicContact CB-CG 4.18Å; R62-E116 IonicContact CZ-OE1 3.71Å; R62-E116 VanDerWaalsContact NE-CD 3.28Å; R62-E116 IonicContact NE-OE1 2.68Å; R62-E116 PolarHBondContact NE-OE1 2.93Å; R62-E116 IonicContact NE-OE2 2.9Å; R62-E116 IonicContact NH2-OE1 3.85Å; R62-E116 PolarHBondContact NH2-OE1 3.25Å
63	I	98.9	Very high	97.9	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.7	164.7	-51.2	-177.9	0	0	0	107.8	L31 V77 G80 I82 V90 G91 V92 A111 Q112 L113	L31-I63 HydrophobicContact CD1-CD1 4.47Å; L31-I63 HydrophobicContact CD1-CG1 4.33Å; L31-I63 HydrophobicContact CD1-CG2 4.18Å; I63-V77 HydrophobicContact CB-CG1 4.14Å; I63-V77 HydrophobicContact CG2-CG1 3.73Å; I63-V77 WeakPolarHBondContact O-CG1 3.19Å; I63-G80 PolarHBondContact N-O 3.41Å; I63-I82 HydrophobicContact CD1-CD1 3.9Å; I63-I82 HydrophobicContact CD1-CG1 3.94Å; I63-I82 HydrophobicContact CG1-CD1 4.42Å; I63-I82 HydrophobicContact CG1-CG1 3.92Å; I63-V90 HydrophobicContact CD1-CG1 3.92Å; I63-G91 WeakPolarHBondContact CD1-O 3.38Å; I63-V92 HydrophobicContact CD1-CG2 4.29Å; I63-V92 HydrophobicContact CG2-CG1 4.08Å; I63-V92 HydrophobicContact CG2-CG2 4.11Å; I63-A111 HydrophobicContact CG2-CB 3.57Å; I63-Q112 CarbonylContact C-O 3.58Å; I63-Q112 WeakPolarHBondContact CA-O 3.29Å; I63-L113 HydrophobicContact CG1-CD1 4.23Å
64	A	98.8	Very high	97.9	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.5	-175.7	0	0	0	0	0	111.5	R62 Q112 I114	R62-A64 VanDerWaalsContact NH1-CB 3.33Å; R62-A64 PolarHBondContact O-N 2.76Å; A64-Q112 HydrophobicContact CB-CG 3.86Å; A64-Q112 PolarHBondContact N-O 2.84Å; A64-Q112 PolarHBondContact O-N 2.9Å; A64-I114 HydrophobicContact CB-CD1 3.76Å; A64-I114 HydrophobicContact CB-CG1 4.42Å
65	P	98.7	Very high	97.9	Very high	46 Å²	46	50.7 Å²	50.7	30%	0.299	28%	0.282	S	S	.	.			trans	-67.1	152.5	176.9	28.3	-34.6	0	0	0	111.6	V77 Q112	P65-V77 HydrophobicContact CB-CB 4.39Å; P65-V77 HydrophobicContact CB-CG2 4.07Å; P65-Q112 PolarHBondContact O-NE2 2.88Å
66	R	98.6	Very high	98	Very high	52 Å²	52	53.5 Å²	53.5	20%	0.196	30%	0.297	C	S	.	.			trans	-92.5	126.2	170.4	-62.8	177.9	78.9	-124.6	-6.2	108.6	D30 G68 L69 A70 R109	D30-R66 IonicContact OD1-CZ 2.85Å; D30-R66 IonicContact OD1-NE 3.36Å; D30-R66 PolarHBondContact OD1-NE 3.19Å; D30-R66 IonicContact OD1-NH2 3.75Å; D30-R66 IonicContact OD2-NH2 3.59Å; R66-G68 PolarHBondContact O-N 2.57Å; R66-G68 VanDerWaalsContact O-N 3.13Å; R66-L69 HydrophobicContact CB-CD1 4.39Å; R66-L69 HydrophobicContact CB-CG 4.3Å; R66-L69 PolarHBondContact O-N 2.99Å; R66-A70 PolarHBondContact O-N 2.91Å; R66-A70 VanDerWaalsContact O-N 3.11Å; R66-R109 WeakPolarHBondContact CD-O 3.23Å; R66-R109 PolarHBondContact NH1-O 2.88Å
67	S	97.7	Very high	98	Very high	97 Å²	97	53.9 Å²	53.9	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-55	-37.4	-175.3	57.2	0	0	0	0	113.5	L69 A70 V71	S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.22Å; S67-A70 PolarHBondContact O-N 2.68Å; S67-V71 WeakPolarHBondContact O-CB 3.36Å; S67-V71 WeakPolarHBondContact O-CG2 3.34Å; S67-V71 PolarHBondContact O-N 3.46Å
68	G	97.2	Very high	98.1	Very high	34 Å²	34	47.2 Å²	47.2	35%	0.351	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-36.7	177.1	0	0	0	0	0	113.7	R66 K72	R66-G68 PolarHBondContact O-N 2.57Å; R66-G68 VanDerWaalsContact O-N 3.13Å; G68-K72 VanDerWaalsContact O-CB 3.24Å; G68-K72 WeakPolarHBondContact O-CB 3.45Å; G68-K72 VanDerWaalsContact O-CG 3.28Å; G68-K72 WeakPolarHBondContact O-CG 3.41Å; G68-K72 PolarHBondContact O-N 3.28Å
69	L	97.6	Very high	98.2	Very high	24 Å²	24	50.7 Å²	50.7	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-78.2	-39.3	178.2	-59.4	-177.2	0	0	0	111.4	R66 S67 H73 S74 I75 F102 I110	R66-L69 HydrophobicContact CB-CD1 4.39Å; R66-L69 HydrophobicContact CB-CG 4.3Å; R66-L69 PolarHBondContact O-N 2.99Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.22Å; L69-H73 CarbonylContact O-C 3.46Å; L69-H73 WeakPolarHBondContact O-CA 3.29Å; L69-H73 WeakPolarHBondContact O-CB 3.41Å; L69-H73 PolarHBondContact O-N 3.04Å; L69-S74 PolarHBondContact O-N 2.94Å; L69-I75 HydrophobicContact CB-CB 4.08Å; L69-I75 PolarHBondContact O-N 2.94Å; L69-F102 HydrophobicContact CD1-CZ 4.42Å; L69-F102 HydrophobicContact CD2-CE2 4.33Å; L69-F102 HydrophobicContact CD2-CZ 4Å; L69-I110 WeakPolarHBondContact CD1-O 3.28Å
70	A	97.7	Very high	98.2	Very high	39 Å²	39	50.4 Å²	50.4	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-49.1	175.9	0	0	0	0	0	112.1	R66 S67 S74 I75	R66-A70 PolarHBondContact O-N 2.91Å; R66-A70 VanDerWaalsContact O-N 3.11Å; S67-A70 PolarHBondContact O-N 2.68Å; A70-S74 VanDerWaalsContact O-CA 3.29Å; A70-S74 WeakPolarHBondContact O-CA 3.26Å; A70-S74 PolarHBondContact O-N 3.45Å; A70-S74 VanDerWaalsContact O-N 3.16Å; A70-I75 WeakPolarHBondContact CA-O 3.43Å; A70-I75 WeakPolarHBondContact CB-O 3.47Å
71	V	97.5	Very high	98.2	Very high	124 Å²	124	52.8 Å²	52.8	75%	0.752	31%	0.314	S	S	*	.	H	α-helix	trans	-73.3	-40.2	-176.5	173.8	0	0	0	0	112.5	S67	S67-V71 WeakPolarHBondContact O-CB 3.36Å; S67-V71 WeakPolarHBondContact O-CG2 3.34Å; S67-V71 PolarHBondContact O-N 3.46Å
72	K	97.8	Very high	98.2	Very high	163 Å²	163	53.6 Å²	53.6	71%	0.709	32%	0.318	S	S	*	.	H	α-helix	trans	-91.2	-26	-171.2	-61.9	179.4	-180	-176.6	0	114.1	G68	G68-K72 VanDerWaalsContact O-CB 3.24Å; G68-K72 WeakPolarHBondContact O-CB 3.45Å; G68-K72 VanDerWaalsContact O-CG 3.28Å; G68-K72 WeakPolarHBondContact O-CG 3.41Å; G68-K72 PolarHBondContact O-N 3.28Å
73	H	98	Very high	98.2	Very high	91 Å²	91	53.9 Å²	53.9	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-130.4	3.3	-171	-58.4	-67.1	0	0	0	113	L69 I75 F102	L69-H73 CarbonylContact O-C 3.46Å; L69-H73 WeakPolarHBondContact O-CA 3.29Å; L69-H73 WeakPolarHBondContact O-CB 3.41Å; L69-H73 PolarHBondContact O-N 3.04Å; H73-I75 HydrophobicContact CB-CG1 3.75Å; H73-I75 PolarHBondContact O-N 3.19Å; H73-F102 HydrophobicContact CB-CD2 3.77Å; H73-F102 HydrophobicContact CB-CE2 3.86Å; H73-F102 AromaticContact CD2-CE2 3.84Å; H73-F102 AromaticContact CG-CD2 3.9Å; H73-F102 AromaticContact CG-CE2 3.72Å
74	S	98.2	Very high	98.1	Very high	56 Å²	56	55.8 Å²	55.8	39%	0.392	34%	0.335	S	S	.	.			trans	54.3	38	-176.9	-57.7	0	0	0	0	112.9	L69 A70 F97 G98	L69-S74 PolarHBondContact O-N 2.94Å; A70-S74 VanDerWaalsContact O-CA 3.29Å; A70-S74 WeakPolarHBondContact O-CA 3.26Å; A70-S74 PolarHBondContact O-N 3.45Å; A70-S74 VanDerWaalsContact O-N 3.16Å; S74-F97 PolarHBondContact O-N 2.97Å; S74-G98 VanDerWaalsContact CB-N 3.33Å
75	I	98.7	Very high	98.1	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.8	178.4	-58.1	-55	0	0	0	110.7	L69 A70 H73 L94 F95 N96 F102	L69-I75 HydrophobicContact CB-CB 4.08Å; L69-I75 PolarHBondContact O-N 2.94Å; A70-I75 WeakPolarHBondContact CA-O 3.43Å; A70-I75 WeakPolarHBondContact CB-O 3.47Å; H73-I75 HydrophobicContact CB-CG1 3.75Å; H73-I75 PolarHBondContact O-N 3.19Å; I75-L94 HydrophobicContact CG2-CB 4.45Å; I75-L94 HydrophobicContact CG2-CD2 3.97Å; I75-F95 WeakPolarHBondContact CA-O 3.32Å; I75-N96 HydrophobicContact CD1-CB 3.8Å; I75-F102 HydrophobicContact CD1-CB 3.7Å; I75-F102 HydrophobicContact CD1-CD1 3.68Å; I75-F102 HydrophobicContact CD1-CD2 4.09Å; I75-F102 HydrophobicContact CD1-CE1 4.31Å; I75-F102 HydrophobicContact CD1-CG 3.55Å; I75-F102 HydrophobicContact CG1-CB 4.46Å; I75-F102 HydrophobicContact CG1-CD1 3.84Å; I75-F102 HydrophobicContact CG1-CD2 3.92Å; I75-F102 HydrophobicContact CG1-CE1 3.98Å; I75-F102 HydrophobicContact CG1-CE2 4.07Å; I75-F102 HydrophobicContact CG1-CG 3.81Å; I75-F102 HydrophobicContact CG1-CZ 4.11Å
76	D	98.7	Very high	98.1	Very high	66 Å²	66	63.9 Å²	63.9	35%	0.353	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	165.7	173.3	-159.7	11	0	0	0	111.5	L94 F95 F97	D76-L94 WeakPolarHBondContact O-CA 3.39Å; D76-F95 PolarHBondContact N-O 2.97Å; D76-F95 PolarHBondContact O-N 2.64Å; D76-F97 HydrophobicContact CB-CD2 4.01Å; D76-F97 HydrophobicContact CB-CE2 3.62Å
77	V	98.7	Very high	98.1	Very high	20 Å²	20	66.7 Å²	66.7	12%	0.121	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.4	176.2	172.9	0	0	0	0	109.7	I63 P65 V92 V93 L94 A111	I63-V77 HydrophobicContact CB-CG1 4.14Å; I63-V77 HydrophobicContact CG2-CG1 3.73Å; I63-V77 WeakPolarHBondContact O-CG1 3.19Å; P65-V77 HydrophobicContact CB-CB 4.39Å; P65-V77 HydrophobicContact CB-CG2 4.07Å; V77-V92 HydrophobicContact CG2-CG1 4.43Å; V77-V93 CarbonylContact C-O 3.56Å; V77-V93 WeakPolarHBondContact CA-O 3.41Å; V77-L94 HydrophobicContact CG2-CD2 3.94Å; V77-A111 HydrophobicContact CG2-CB 4.09Å
78	G	98.1	Very high	98.1	Very high	9 Å²	9	63.3 Å²	63.3	9%	0.093	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	169.2	170.2	0	0	0	0	0	113.5	G80 V93	G78-G80 PolarHBondContact O-N 2.83Å; G78-V93 PolarHBondContact N-O 2.83Å
79	A	97.9	Very high	98.2	Very high	96 Å²	96	63.8 Å²	63.8	79%	0.793	36%	0.355	S	S	*	.			trans	51.7	-105.1	177.4	0	0	0	0	0	111.6	V81 V93	A79-V81 PolarHBondContact O-N 2.79Å; A79-V93 HydrophobicContact CB-CG2 4.06Å
80	G	97.5	Very high	98.3	Very high	7 Å²	7	62.6 Å²	62.6	7%	0.072	35%	0.349	C	S	.	.			trans	80.9	8.8	166.2	0	0	0	0	0	115.8	G61 R62 I63 G78	G61-G80 VanDerWaalsContact O-O 3.12Å; R62-G80 CarbonylContact C-O 3.55Å; R62-G80 WeakPolarHBondContact CA-O 3.32Å; I63-G80 PolarHBondContact N-O 3.41Å; G78-G80 PolarHBondContact O-N 2.83Å
81	V	98.8	Very high	98.3	Very high	87 Å²	87	61.6 Å²	61.6	53%	0.527	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	106.7	171.1	178.8	0	0	0	0	108.4	Y60 A79	Y60-V81 HydrophobicContact CD2-CB 4.39Å; Y60-V81 HydrophobicContact CD2-CG1 3.86Å; Y60-V81 HydrophobicContact CE2-CB 4.47Å; Y60-V81 HydrophobicContact CE2-CG1 4.3Å; Y60-V81 HydrophobicContact CE2-CG2 4.15Å; A79-V81 PolarHBondContact O-N 2.79Å
82	I	98.8	Very high	98.4	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.087	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	108.8	171.9	-53.4	-60	0	0	0	108.1	V53 G61 I63 Y86 V90	V53-I82 HydrophobicContact CG2-CG2 4.08Å; G61-I82 PolarHBondContact N-O 2.8Å; G61-I82 VanDerWaalsContact O-CB 3.3Å; G61-I82 WeakPolarHBondContact O-CB 3.27Å; G61-I82 PolarHBondContact O-N 3.49Å; I63-I82 HydrophobicContact CD1-CD1 3.9Å; I63-I82 HydrophobicContact CD1-CG1 3.94Å; I63-I82 HydrophobicContact CG1-CD1 4.42Å; I63-I82 HydrophobicContact CG1-CG1 3.92Å; I82-Y86 HydrophobicContact CG2-CD1 3.96Å; I82-V90 HydrophobicContact CD1-CG1 4.32Å; I82-V90 HydrophobicContact CG1-CG1 4.45Å
83	D	98.5	Very high	98.4	Very high	88 Å²	88	49.4 Å²	49.4	47%	0.471	28%	0.281	S	S	.	.			trans	-66.2	154	-177.8	-59	-58.7	0	0	0	112.6	D85 Y86	D83-D85 WeakPolarHBondContact CB-OD1 3.41Å; D83-D85 PolarHBondContact O-N 3Å; D83-Y86 WeakPolarHBondContact O-CB 3.32Å; D83-Y86 PolarHBondContact O-N 3.23Å; D83-Y86 VanDerWaalsContact O-N 3.16Å
84	E	97.6	Very high	98.5	Very high	48 Å²	48	45.1 Å²	45.1	22%	0.224	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.3	-177.3	-164.7	-167.8	131.7	0	0	112.8	I55 E57 G58 R87 Y120	I55-E84 HydrophobicContact CB-CG 4.45Å; E57-E84 WeakPolarHBondContact CA-OE1 3.29Å; E57-E84 WeakPolarHBondContact CA-OE2 3.42Å; G58-E84 PolarHBondContact N-OE2 3.42Å; E84-R87 PolarHBondContact O-NH1 2.79Å; E84-R87 PolarHBondContact O-NH2 3.5Å; E84-R87 VanDerWaalsContact O-NH2 3.16Å; E84-Y120 WeakPolarHBondContact CB-OH 3.43Å; E84-Y120 PolarHBondContact OE2-OH 2.94Å
85	D	97.7	Very high	98.5	Very high	126 Å²	126	45.5 Å²	45.5	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.5	-178.2	62.9	-4.6	0	0	0	113.8	D83 R87	D83-D85 WeakPolarHBondContact CB-OD1 3.41Å; D83-D85 PolarHBondContact O-N 3Å; D85-R87 PolarHBondContact O-N 3.1Å
86	Y	98.6	Very high	98.5	Very high	92 Å²	92	45.3 Å²	45.3	36%	0.361	26%	0.255	S	S	.	.			trans	-67.4	129.8	177.1	-176.8	-107.4	0	0	0	111.9	V53 I82 D83 G88 N89	V53-Y86 VanDerWaalsContact O-O 3.11Å; I82-Y86 HydrophobicContact CG2-CD1 3.96Å; D83-Y86 WeakPolarHBondContact O-CB 3.32Å; D83-Y86 PolarHBondContact O-N 3.23Å; D83-Y86 VanDerWaalsContact O-N 3.16Å; Y86-G88 VanDerWaalsContact CE1-O 3.3Å; Y86-G88 WeakPolarHBondContact CE1-O 3.47Å; Y86-G88 WeakPolarHBondContact OH-CA 3.43Å; Y86-N89 PolarHBondContact OH-N 3.03Å; Y86-N89 PolarHBondContact OH-O 2.87Å
87	R	98.6	Very high	98.5	Very high	111 Å²	111	48.5 Å²	48.5	42%	0.419	27%	0.266	S	S	.	.			trans	-126.1	12.9	178.9	-60.2	-65	174.9	-91.7	-6.9	113.6	Q52 V53 E84 D85	Q52-R87 PolarHBondContact OE1-O 2.64Å; V53-R87 PolarHBondContact O-NH1 2.6Å; E84-R87 PolarHBondContact O-NH1 2.79Å; E84-R87 PolarHBondContact O-NH2 3.5Å; E84-R87 VanDerWaalsContact O-NH2 3.16Å; D85-R87 PolarHBondContact O-N 3.1Å
88	G	98.7	Very high	98.5	Very high	26 Å²	26	48.2 Å²	48.2	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	-85	-170	176.4	0	0	0	0	0	113.4	Q52 Y86 V90	Q52-G88 WeakPolarHBondContact CA-O 3.33Å; Q52-G88 VanDerWaalsContact CB-O 3.26Å; Q52-G88 WeakPolarHBondContact CB-O 3.31Å; Y86-G88 VanDerWaalsContact CE1-O 3.3Å; Y86-G88 WeakPolarHBondContact CE1-O 3.47Å; Y86-G88 WeakPolarHBondContact OH-CA 3.43Å; G88-V90 PolarHBondContact O-N 3.19Å
89	N	98.7	Very high	98.5	Very high	44 Å²	44	57 Å²	57	24%	0.235	30%	0.303	C	S	.	.			trans	-73.9	119.9	175.9	-167.8	-15	0	0	0	110.5	L12 D50 Y86 G91	L12-N89 HydrophobicContact CD1-CB 3.67Å; D50-N89 VanDerWaalsContact CA-OD1 3.3Å; D50-N89 WeakPolarHBondContact CA-OD1 3.19Å; D50-N89 PolarHBondContact N-OD1 2.78Å; D50-N89 PolarHBondContact OD1-ND2 2.74Å; Y86-N89 PolarHBondContact OH-N 3.03Å; Y86-N89 PolarHBondContact OH-O 2.87Å; N89-G91 PolarHBondContact O-N 3.31Å; N89-G91 VanDerWaalsContact O-N 3.1Å
90	V	98.9	Very high	98.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.			trans	-66.6	110.9	177.8	176.9	0	0	0	0	109.4	L31 T49 I51 V53 I63 I82 G88	L31-V90 HydrophobicContact CD1-CG1 4.41Å; T49-V90 WeakPolarHBondContact CB-O 3.3Å; T49-V90 WeakPolarHBondContact CG2-O 3.15Å; T49-V90 PolarHBondContact N-O 2.66Å; T49-V90 PolarHBondContact OG1-O 3.48Å; I51-V90 HydrophobicContact CG1-CB 4.31Å; I51-V90 HydrophobicContact CG1-CG2 4.5Å; I51-V90 PolarHBondContact O-N 3.37Å; V53-V90 HydrophobicContact CG1-CG2 4.13Å; V53-V90 HydrophobicContact CG2-CG2 3.8Å; I63-V90 HydrophobicContact CD1-CG1 3.92Å; I82-V90 HydrophobicContact CD1-CG1 4.32Å; I82-V90 HydrophobicContact CG1-CG1 4.45Å; G88-V90 PolarHBondContact O-N 3.19Å
91	G	98.8	Very high	98.5	Very high	18 Å²	18	63 Å²	63	19%	0.186	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.8	174.2	0	0	0	0	0	111.9	I63 N89	I63-G91 WeakPolarHBondContact CD1-O 3.38Å; N89-G91 PolarHBondContact O-N 3.31Å; N89-G91 VanDerWaalsContact O-N 3.1Å
92	V	98.9	Very high	98.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.4	174.2	178.7	0	0	0	0	108.7	L31 V46 C47 T49 I63 V77 L94 I110 A111	L31-V92 HydrophobicContact CD1-CG2 3.95Å; V46-V92 CarbonylContact C-O 3.59Å; V46-V92 WeakPolarHBondContact CA-O 3.46Å; C47-V92 HydrophobicContact CB-CB 4.39Å; C47-V92 PolarHBondContact N-O 3.31Å; C47-V92 PolarHBondContact O-N 3.08Å; T49-V92 HydrophobicContact CG2-CG2 3.88Å; I63-V92 HydrophobicContact CD1-CG2 4.29Å; I63-V92 HydrophobicContact CG2-CG1 4.08Å; I63-V92 HydrophobicContact CG2-CG2 4.11Å; V77-V92 HydrophobicContact CG2-CG1 4.43Å; V92-L94 HydrophobicContact CG1-CD2 3.6Å; V92-L94 HydrophobicContact CG1-CG 3.93Å; V92-L94 PolarHBondContact O-N 2.84Å; V92-I110 HydrophobicContact CB-CD1 3.81Å; V92-I110 HydrophobicContact CG1-CD1 3.95Å; V92-I110 HydrophobicContact CG1-CG1 4.41Å; V92-I110 HydrophobicContact CG2-CD1 4.02Å; V92-I110 HydrophobicContact CG2-CG1 4.47Å; V92-A111 HydrophobicContact CG1-CB 3.56Å; V92-A111 HydrophobicContact CG2-CB 4.09Å
93	V	98.8	Very high	98.5	Very high	31 Å²	31	65.9 Å²	65.9	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107.9	174.4	-173.3	0	0	0	0	108.7	C45 V46 V77 G78 A79 F95	C45-V93 WeakPolarHBondContact O-CA 3.5Å; V46-V93 HydrophobicContact CG2-CG2 4.32Å; V77-V93 CarbonylContact C-O 3.56Å; V77-V93 WeakPolarHBondContact CA-O 3.41Å; G78-V93 PolarHBondContact N-O 2.83Å; A79-V93 HydrophobicContact CB-CG2 4.06Å; V93-F95 HydrophobicContact CG1-CE2 4.28Å
94	L	98.9	Very high	98.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.8	176.8	-64.8	-178.7	0	0	0	110.5	I39 N44 C45 I75 D76 V77 V92 V104 I110	I39-L94 HydrophobicContact CD1-CB 3.5Å; I39-L94 HydrophobicContact CD1-CD1 3.94Å; I39-L94 HydrophobicContact CD1-CG 4.39Å; N44-L94 CarbonylContact C-O 3.56Å; N44-L94 WeakPolarHBondContact CA-O 3.47Å; N44-L94 VanDerWaalsContact CB-O 3.23Å; N44-L94 WeakPolarHBondContact CB-O 3.43Å; C45-L94 PolarHBondContact N-O 2.8Å; C45-L94 PolarHBondContact O-N 2.9Å; I75-L94 HydrophobicContact CG2-CB 4.45Å; I75-L94 HydrophobicContact CG2-CD2 3.97Å; D76-L94 WeakPolarHBondContact O-CA 3.39Å; V77-L94 HydrophobicContact CG2-CD2 3.94Å; V92-L94 HydrophobicContact CG1-CD2 3.6Å; V92-L94 HydrophobicContact CG1-CG 3.93Å; V92-L94 PolarHBondContact O-N 2.84Å; L94-V104 HydrophobicContact CD1-CG2 4.01Å; L94-I110 HydrophobicContact CD1-CB 4.05Å; L94-I110 HydrophobicContact CD1-CD1 4.18Å; L94-I110 HydrophobicContact CD1-CG2 4.27Å
95	F	98.8	Very high	98.5	Very high	65 Å²	65	63.8 Å²	63.8	29%	0.285	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.1	168.2	-74.6	-76.1	0	0	0	110.1	N44 I75 D76 V93 F97	N44-F95 HydrophobicContact CB-CD1 3.52Å; N44-F95 HydrophobicContact CB-CE1 3.63Å; N44-F95 HydrophobicContact CB-CG 4.26Å; N44-F95 HydrophobicContact CB-CZ 4.47Å; I75-F95 WeakPolarHBondContact CA-O 3.32Å; D76-F95 PolarHBondContact N-O 2.97Å; D76-F95 PolarHBondContact O-N 2.64Å; V93-F95 HydrophobicContact CG1-CE2 4.28Å; F95-F97 HydrophobicContact CB-CD2 4.4Å; F95-F97 HydrophobicContact CB-CE1 4.23Å; F95-F97 HydrophobicContact CB-CE2 3.85Å; F95-F97 HydrophobicContact CB-CZ 3.74Å; F95-F97 HydrophobicContact CD1-CZ 4.44Å; F95-F97 HydrophobicContact CG-CZ 4.05Å
96	N	98.8	Very high	98.6	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	99.5	171.6	-178.5	7.8	0	0	0	110.4	I39 L40 G42 G43 I75 G98 D100 F102	I39-N96 HydrophobicContact CB-CB 4.03Å; I39-N96 HydrophobicContact CG2-CB 3.54Å; I39-N96 PolarHBondContact O-ND2 2.83Å; L40-N96 PolarHBondContact O-ND2 2.84Å; G42-N96 WeakPolarHBondContact CA-O 3.44Å; G42-N96 PolarHBondContact N-O 3.01Å; G43-N96 PolarHBondContact O-N 3.43Å; I75-N96 HydrophobicContact CD1-CB 3.8Å; N96-G98 VanDerWaalsContact C-N 3.27Å; N96-G98 WeakPolarHBondContact OD1-CA 3.24Å; N96-G98 PolarHBondContact OD1-N 2.98Å; N96-D100 PolarHBondContact ND2-O 3.35Å; N96-F102 PolarHBondContact ND2-N 3.46Å
97	F	98.6	Very high	98.6	Very high	134 Å²	134	61.1 Å²	61.1	59%	0.588	29%	0.293	S	S	*	.			trans	-89	5.9	173.2	-58.4	-56.9	0	0	0	112.9	S74 D76 F95	S74-F97 PolarHBondContact O-N 2.97Å; D76-F97 HydrophobicContact CB-CD2 4.01Å; D76-F97 HydrophobicContact CB-CE2 3.62Å; F95-F97 HydrophobicContact CB-CD2 4.4Å; F95-F97 HydrophobicContact CB-CE1 4.23Å; F95-F97 HydrophobicContact CB-CE2 3.85Å; F95-F97 HydrophobicContact CB-CZ 3.74Å; F95-F97 HydrophobicContact CD1-CZ 4.44Å; F95-F97 HydrophobicContact CG-CZ 4.05Å
98	G	98	Very high	98.6	Very high	13 Å²	13	59 Å²	59	13%	0.134	29%	0.29	C	S	.	.	S	Bend	trans	-76.7	174.7	177.8	0	0	0	0	0	113	P41 S74 N96	P41-G98 WeakPolarHBondContact CB-O 3.19Å; S74-G98 VanDerWaalsContact CB-N 3.33Å; N96-G98 VanDerWaalsContact C-N 3.27Å; N96-G98 WeakPolarHBondContact OD1-CA 3.24Å; N96-G98 PolarHBondContact OD1-N 2.98Å
99	K	97.9	Very high	98.6	Very high	195 Å²	195	63 Å²	63	85%	0.848	30%	0.297	S	S	*	.	S	Bend	trans	-92.7	-18.2	174.8	-63.1	-177.4	-179.3	179.4	0	112.9	P41	P41-K99 WeakPolarHBondContact CG-O 3.43Å
100	D	98	Very high	98.6	Very high	131 Å²	131	61 Å²	61	70%	0.701	29%	0.286	S	S	*	.	S	Bend	trans	-107.2	154.9	-179	-59.2	-54.4	0	0	0	110.5	N96	N96-D100 PolarHBondContact ND2-O 3.35Å
101	K	98.1	Very high	98.6	Very high	98 Å²	98	61 Å²	61	43%	0.426	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.9	138.1	171.3	68.4	-168.8	-167.2	158.8	0	110.5	E38 I39	E38-K101 HydrophobicContact CG-CB 4.31Å; E38-K101 HydrophobicContact CG-CD 4.39Å; E38-K101 IonicContact OE1-NZ 3.71Å; E38-K101 WeakPolarHBondContact OE2-CD 3.49Å; E38-K101 WeakPolarHBondContact OE2-CE 3.2Å; E38-K101 IonicContact OE2-NZ 2.94Å; E38-K101 PolarHBondContact OE2-NZ 3.11Å; I39-K101 WeakPolarHBondContact O-CA 3.33Å
102	F	98.6	Very high	98.6	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.5	174.5	-175.4	-110.3	0	0	0	109.8	I39 L69 H73 I75 N96 V104	I39-F102 HydrophobicContact CB-CB 4.48Å; I39-F102 HydrophobicContact CD1-CD1 4.14Å; I39-F102 PolarHBondContact N-O 3.38Å; I39-F102 PolarHBondContact O-N 3.41Å; L69-F102 HydrophobicContact CD1-CZ 4.42Å; L69-F102 HydrophobicContact CD2-CE2 4.33Å; L69-F102 HydrophobicContact CD2-CZ 4Å; H73-F102 HydrophobicContact CB-CD2 3.77Å; H73-F102 HydrophobicContact CB-CE2 3.86Å; H73-F102 AromaticContact CD2-CE2 3.84Å; H73-F102 AromaticContact CG-CD2 3.9Å; H73-F102 AromaticContact CG-CE2 3.72Å; I75-F102 HydrophobicContact CD1-CB 3.7Å; I75-F102 HydrophobicContact CD1-CD1 3.68Å; I75-F102 HydrophobicContact CD1-CD2 4.09Å; I75-F102 HydrophobicContact CD1-CE1 4.31Å; I75-F102 HydrophobicContact CD1-CG 3.55Å; I75-F102 HydrophobicContact CG1-CB 4.46Å; I75-F102 HydrophobicContact CG1-CD1 3.84Å; I75-F102 HydrophobicContact CG1-CD2 3.92Å; I75-F102 HydrophobicContact CG1-CE1 3.98Å; I75-F102 HydrophobicContact CG1-CE2 4.07Å; I75-F102 HydrophobicContact CG1-CG 3.81Å; I75-F102 HydrophobicContact CG1-CZ 4.11Å; N96-F102 PolarHBondContact ND2-N 3.46Å; F102-V104 HydrophobicContact CD1-CG2 3.88Å; F102-V104 HydrophobicContact CE1-CG2 3.56Å
103	R	98.5	Very high	98.6	Very high	144 Å²	144	62.2 Å²	62.2	54%	0.543	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125	178.2	-72.6	177.9	169.7	-175.6	-10.6	109.1	E38	E38-R103 HydrophobicContact CG-CG 4.13Å; E38-R103 IonicContact OE2-CZ 3.98Å; E38-R103 IonicContact OE2-NE 2.94Å; E38-R103 PolarHBondContact OE2-NE 3.39Å; E38-R103 IonicContact OE2-NH2 3.75Å; E38-R103 PolarHBondContact OE2-NH2 3.11Å
104	V	98.7	Very high	98.6	Very high	1 Å²	1	62 Å²	62	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.1	169.8	176.3	0	0	0	0	107.1	S33 E36 Y37 L94 F102 D108 I110	S33-V104 WeakPolarHBondContact OG-CG1 3.34Å; E36-V104 CarbonylContact C-O 3.55Å; E36-V104 VanDerWaalsContact CA-O 3.23Å; E36-V104 WeakPolarHBondContact CA-O 3.44Å; Y37-V104 HydrophobicContact CD2-CB 4.4Å; Y37-V104 HydrophobicContact CD2-CG1 4.22Å; Y37-V104 PolarHBondContact N-O 3.32Å; Y37-V104 PolarHBondContact O-N 2.97Å; L94-V104 HydrophobicContact CD1-CG2 4.01Å; F102-V104 HydrophobicContact CD1-CG2 3.88Å; F102-V104 HydrophobicContact CE1-CG2 3.56Å; V104-D108 HydrophobicContact CG1-CB 4.41Å; V104-I110 HydrophobicContact CG1-CG2 3.66Å; V104-I110 HydrophobicContact CG2-CG2 4.09Å
105	Q	98.6	Very high	98.5	Very high	90 Å²	90	64 Å²	64	42%	0.421	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-92.9	157.4	170.5	-61.3	-68.7	2.1	0	0	110.6	E36 G107 D108	E36-Q105 PolarHBondContact OE1-OE1 3.33Å; Q105-G107 PolarHBondContact O-N 2.96Å; Q105-D108 WeakPolarHBondContact CB-OD2 3.44Å; Q105-D108 PolarHBondContact N-OD2 2.97Å; Q105-D108 WeakPolarHBondContact O-CB 3.35Å; Q105-D108 PolarHBondContact O-N 3.23Å; Q105-D108 VanDerWaalsContact O-N 3.08Å
106	R	98.5	Very high	98.5	Very high	131 Å²	131	63.6 Å²	63.6	49%	0.494	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.9	167.6	173	175.8	167.9	-155.5	-5.2	109.7	Y15 A34 D108	Y15-R106 VanDerWaalsContact CD1-NH1 3.31Å; A34-R106 WeakPolarHBondContact O-CD 3.39Å; A34-R106 WeakPolarHBondContact O-CG 3.23Å; R106-D108 VanDerWaalsContact C-N 3.34Å
107	G	98.5	Very high	98.4	Very high	32 Å²	32	72.2 Å²	72.2	33%	0.33	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	0.5	-178.1	0	0	0	0	0	114.6	Y32 S33 Q105	Y32-G107 VanDerWaalsContact CD1-O 3.29Å; Y32-G107 WeakPolarHBondContact CD1-O 3.49Å; S33-G107 PolarHBondContact O-N 3.4Å; Q105-G107 PolarHBondContact O-N 2.96Å
108	D	98.7	Very high	98.4	Very high	65 Å²	65	69.1 Å²	69.1	35%	0.348	32%	0.324	S	S	.	.			trans	-69.7	138.4	172	-79.8	-17.8	0	0	0	111.3	Y32 S33 V104 Q105 R106 I110	Y32-D108 CarbonylContact C-O 3.55Å; Y32-D108 VanDerWaalsContact CA-O 3.27Å; Y32-D108 WeakPolarHBondContact CA-O 3.46Å; S33-D108 PolarHBondContact N-O 3.13Å; V104-D108 HydrophobicContact CG1-CB 4.41Å; Q105-D108 WeakPolarHBondContact CB-OD2 3.44Å; Q105-D108 PolarHBondContact N-OD2 2.97Å; Q105-D108 WeakPolarHBondContact O-CB 3.35Å; Q105-D108 PolarHBondContact O-N 3.23Å; Q105-D108 VanDerWaalsContact O-N 3.08Å; R106-D108 VanDerWaalsContact C-N 3.34Å; D108-I110 HydrophobicContact CB-CG2 4.14Å; D108-I110 PolarHBondContact O-N 3.04Å
109	R	98.7	Very high	98.3	Very high	110 Å²	110	72.3 Å²	72.3	42%	0.415	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	104	172.2	-66.2	177.5	-66.5	162.2	-7.5	109.5	D30 L31 Y32 R66	D30-R109 HydrophobicContact CB-CB 4.39Å; D30-R109 HydrophobicContact CB-CG 4.1Å; D30-R109 VanDerWaalsContact OD2-CD 3.31Å; D30-R109 WeakPolarHBondContact OD2-CD 3.1Å; D30-R109 IonicContact OD2-CZ 3.08Å; D30-R109 IonicContact OD2-NE 3.65Å; D30-R109 IonicContact OD2-NH1 2.66Å; D30-R109 PolarHBondContact OD2-NH1 2.82Å; L31-R109 CarbonylContact O-C 3.59Å; L31-R109 WeakPolarHBondContact O-CA 3.4Å; Y32-R109 HydrophobicContact CD1-CG 3.68Å; Y32-R109 HydrophobicContact CE1-CG 3.26Å; Y32-R109 HydrophobicContact CE2-CG 4.19Å; Y32-R109 HydrophobicContact CG-CG 4.31Å; R66-R109 WeakPolarHBondContact CD-O 3.23Å; R66-R109 PolarHBondContact NH1-O 2.88Å
110	I	98.8	Very high	98.3	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-24.1	-169	54.3	164.7	0	0	0	114.5	L31 C47 L69 V92 L94 V104 D108	L31-I110 PolarHBondContact O-N 3.17Å; C47-I110 HydrophobicContact CB-CD1 3.28Å; L69-I110 WeakPolarHBondContact CD1-O 3.28Å; V92-I110 HydrophobicContact CB-CD1 3.81Å; V92-I110 HydrophobicContact CG1-CD1 3.95Å; V92-I110 HydrophobicContact CG1-CG1 4.41Å; V92-I110 HydrophobicContact CG2-CD1 4.02Å; V92-I110 HydrophobicContact CG2-CG1 4.47Å; L94-I110 HydrophobicContact CD1-CB 4.05Å; L94-I110 HydrophobicContact CD1-CD1 4.18Å; L94-I110 HydrophobicContact CD1-CG2 4.27Å; V104-I110 HydrophobicContact CG1-CG2 3.66Å; V104-I110 HydrophobicContact CG2-CG2 4.09Å; D108-I110 HydrophobicContact CB-CG2 4.14Å; D108-I110 PolarHBondContact O-N 3.04Å
111	A	98.9	Very high	98.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-177.6	-179.8	0	0	0	0	0	109.9	D30 L31 I63 V77 V92	D30-A111 WeakPolarHBondContact CA-O 3.49Å; L31-A111 PolarHBondContact N-O 3.46Å; I63-A111 HydrophobicContact CG2-CB 3.57Å; V77-A111 HydrophobicContact CG2-CB 4.09Å; V92-A111 HydrophobicContact CG1-CB 3.56Å; V92-A111 HydrophobicContact CG2-CB 4.09Å
112	Q	98.9	Very high	98.3	Very high	45 Å²	45	71.5 Å²	71.5	21%	0.21	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.9	170.5	65.5	-169.7	-57.9	0	0	110.9	F29 I63 A64 P65 I114	F29-Q112 CarbonylContact O-C 3.5Å; F29-Q112 WeakPolarHBondContact O-CA 3.43Å; I63-Q112 CarbonylContact C-O 3.58Å; I63-Q112 WeakPolarHBondContact CA-O 3.29Å; A64-Q112 HydrophobicContact CB-CG 3.86Å; A64-Q112 PolarHBondContact N-O 2.84Å; A64-Q112 PolarHBondContact O-N 2.9Å; P65-Q112 PolarHBondContact O-NE2 2.88Å; Q112-I114 HydrophobicContact CG-CG1 4.47Å
113	L	98.9	Very high	98.2	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.4	175.8	-174.3	69	0	0	0	110	L7 G28 F29 L31 V53 I55 R62 I63	L7-L113 HydrophobicContact CD1-CD2 4.34Å; L7-L113 HydrophobicContact CD2-CD2 4.03Å; G28-L113 CarbonylContact C-O 3.6Å; G28-L113 WeakPolarHBondContact CA-O 3.28Å; F29-L113 PolarHBondContact N-O 3.23Å; F29-L113 PolarHBondContact O-N 3.43Å; L31-L113 HydrophobicContact CD1-CB 4.11Å; L31-L113 HydrophobicContact CD2-CB 4.04Å; L31-L113 HydrophobicContact CG-CB 4.09Å; V53-L113 HydrophobicContact CG1-CD2 4.43Å; I55-L113 HydrophobicContact CD1-CD2 4.23Å; R62-L113 CarbonylContact O-C 3.54Å; R62-L113 WeakPolarHBondContact O-CA 3.47Å; I63-L113 HydrophobicContact CG1-CD1 4.23Å
114	I	98.7	Very high	98.2	Very high	25 Å²	25	77.8 Å²	77.8	13%	0.128	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.5	176.6	-58.7	172	0	0	0	108	A27 G61 R62 A64 Q112 E116	A27-I114 HydrophobicContact CB-CD1 4.48Å; G61-I114 CarbonylContact C-O 3.45Å; R62-I114 PolarHBondContact N-O 3.38Å; R62-I114 PolarHBondContact O-N 2.92Å; A64-I114 HydrophobicContact CB-CD1 3.76Å; A64-I114 HydrophobicContact CB-CG1 4.42Å; Q112-I114 HydrophobicContact CG-CG1 4.47Å; I114-E116 HydrophobicContact CB-CG 4.38Å; I114-E116 HydrophobicContact CG2-CG 3.72Å; I114-E116 PolarHBondContact O-N 3.16Å
115	C	98.2	Very high	98.2	Very high	43 Å²	43	83.9 Å²	83.9	29%	0.291	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	97.2	171.1	-63.2	0	0	0	0	108.8	C59 Y60	C59-C115 HydrophobicContact CB-CB 4.37Å; Y60-C115 WeakPolarHBondContact O-CA 3.46Å
116	E	98.2	Very high	98.1	Very high	57 Å²	57	85.8 Å²	85.8	27%	0.266	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.4	-179.3	-69.1	-156.8	168	0	0	110.8	C59 Y60 R62 I114	C59-E116 CarbonylContact C-O 3.55Å; C59-E116 WeakPolarHBondContact CA-O 3.34Å; C59-E116 WeakPolarHBondContact CB-O 3.44Å; Y60-E116 HydrophobicContact CD1-CB 3.84Å; Y60-E116 HydrophobicContact CE1-CB 3.34Å; Y60-E116 HydrophobicContact CE1-CG 4.18Å; Y60-E116 WeakPolarHBondContact CE1-OE2 3.34Å; Y60-E116 PolarHBondContact N-O 3.27Å; Y60-E116 PolarHBondContact O-N 3.03Å; Y60-E116 PolarHBondContact OH-OE2 2.9Å; R62-E116 HydrophobicContact CB-CG 4.18Å; R62-E116 IonicContact CZ-OE1 3.71Å; R62-E116 VanDerWaalsContact NE-CD 3.28Å; R62-E116 IonicContact NE-OE1 2.68Å; R62-E116 PolarHBondContact NE-OE1 2.93Å; R62-E116 IonicContact NE-OE2 2.9Å; R62-E116 IonicContact NH2-OE1 3.85Å; R62-E116 PolarHBondContact NH2-OE1 3.25Å; I114-E116 HydrophobicContact CB-CG 4.38Å; I114-E116 HydrophobicContact CG2-CG 3.72Å; I114-E116 PolarHBondContact O-N 3.16Å
117	K	97.2	Very high	98.1	Very high	180 Å²	180	90 Å²	90	78%	0.783	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	134.3	176.9	-69.4	-175.1	177.5	-175.3	0	110.3	G58	G58-K117 WeakPolarHBondContact O-CA 3.33Å
118	I	97.6	Very high	98	Very high	69 Å²	69	95.7 Å²	95.7	35%	0.354	49%	0.487	S	S	.	.			trans	-135.3	169	177.9	55.4	168.8	0	0	0	110.3	G58 Y60 Y120	G58-I118 PolarHBondContact O-N 3.06Å; Y60-I118 HydrophobicContact CD1-CD1 4.27Å; Y60-I118 HydrophobicContact CD1-CG2 3.51Å; Y60-I118 HydrophobicContact CE1-CG2 3.78Å; I118-Y120 HydrophobicContact CD1-CE1 4.02Å; I118-Y120 HydrophobicContact CD1-CE2 4.2Å; I118-Y120 HydrophobicContact CG1-CE2 4.4Å
119	A	97.5	Very high	97.9	Very high	81 Å²	81	98.9 Å²	98.9	67%	0.669	50%	0.504	S	S	*	.			trans	-110.1	153.8	164.6	0	0	0	0	0	108.8	P121	A119-P121 WeakPolarHBondContact O-CD 3.34Å
120	Y	96.9	Very high	97.9	Very high	144 Å²	144	100.1 Å²	100.1	57%	0.565	52%	0.519	S	S	*	.			trans	-107.9	74.2	169.6	-66.4	-79.9	0	0	0	109.1	E84 I118	E84-Y120 WeakPolarHBondContact CB-OH 3.43Å; E84-Y120 PolarHBondContact OE2-OH 2.94Å; I118-Y120 HydrophobicContact CD1-CE1 4.02Å; I118-Y120 HydrophobicContact CD1-CE2 4.2Å; I118-Y120 HydrophobicContact CG1-CE2 4.4Å
121	P	97.5	Very high	97.8	Very high	107 Å²	107	104.9 Å²	104.9	70%	0.695	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.7	147.3	-177.5	32.1	-35.9	0	0	0	111.8	A119	A119-P121 WeakPolarHBondContact O-CD 3.34Å
122	D	98.2	Very high	97.7	Very high	156 Å²	156	108.8 Å²	108.8	83%	0.834	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.2	164.5	-68.5	-43.3	0	0	0	110.3
123	L	97.4	Very high	97.6	Very high	156 Å²	156	115.1 Å²	115.1	82%	0.817	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-85.9	126.2	179	-174.9	150	0	0	0	110.6	V125	L123-V125 HydrophobicContact CD2-CG2 3.69Å
124	I	97.7	Very high	97.4	Very high	139 Å²	139	122.4 Å²	122.4	71%	0.713	65%	0.645	S	S	*	*			trans	-121.7	132.2	174.9	-53.8	177.2	0	0	0	108.5	E126	I124-E126 HydrophobicContact CG2-CG 4.36Å
125	V	97.9	Very high	97.3	Very high	129 Å²	129	123.6 Å²	123.6	78%	0.782	66%	0.663	S	S	*	*			trans	-100.4	118.6	178.2	-178.2	0	0	0	0	109.6	L123	L123-V125 HydrophobicContact CD2-CG2 3.69Å
126	E	97.6	Very high	97.1	Very high	131 Å²	131	126.8 Å²	126.8	61%	0.612	69%	0.693	S	S	*	*			trans	-112.7	158.7	178.1	-62.1	-160.4	169.1	0	0	112.5	I124	I124-E126 HydrophobicContact CG2-CG 4.36Å
127	K	97.5	Very high	96.9	Very high	220 Å²	220	129 Å²	129	96%	0.957	71%	0.707	S	S	*	*	S	Bend	trans	-76.9	-31.5	178.3	-69.9	-176.5	178.9	178.8	0	113.1
128	L	96.3	Very high	96.8	Very high	150 Å²	150	122 Å²	122	79%	0.785	69%	0.686	S	S	*	*	S	Bend	trans	-156	138.4	-179.1	-175.2	66.8	0	0	0	108.4
129	L	97.5	Very high	96.5	Very high	133 Å²	133	129.5 Å²	129.5	70%	0.696	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-89.7	164.4	174.5	-58.9	177.1	0	0	0	111.1
130	D	97.5	Very high	96.1	Very high	135 Å²	135	128.4 Å²	128.4	72%	0.722	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-65.1	153.1	173.7	60.9	-47.8	0	0	0	112.7
131	A	97.3	Very high	95.6	Very high	102 Å²	102	124.2 Å²	124.2	84%	0.843	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-78.6	141.5	177.3	0	0	0	0	0	110.9
132	T	97.5	Very high	95.1	Very high	82 Å²	82	125 Å²	125	50%	0.503	71%	0.707	S	S	.	*			trans	-130.1	160.8	175.5	67.7	0	0	0	0	110.7	R134 G135	T132-R134 PolarHBondContact O-N 3.49Å; T132-G135 PolarHBondContact O-N 2.84Å; T132-G135 PolarHBondContact OG1-N 2.93Å
133	D	95.7	Very high	94.6	Very high	178 Å²	178	120 Å²	120	95%	0.952	69%	0.693	S	S	*	*	S	Bend	trans	-57.2	-33.1	176.1	-64.8	-21.6	0	0	0	112.8
134	R	96.2	Very high	93.1	Very high	153 Å²	153	124.8 Å²	124.8	58%	0.577	72%	0.718	S	S	*	*	S	Bend	trans	-72.2	-39.3	175.8	179.2	175	-73.2	-85.5	0.5	111.6	T132 A136 N137	T132-R134 PolarHBondContact O-N 3.49Å; R134-A136 PolarHBondContact O-N 3.49Å; R134-N137 PolarHBondContact NH1-O 2.93Å; R134-N137 VanDerWaalsContact O-CB 3.26Å; R134-N137 WeakPolarHBondContact O-CB 3.17Å; R134-N137 PolarHBondContact O-N 2.86Å; R134-N137 PolarHBondContact O-ND2 2.95Å
135	G	95	Very high	92.9	Very high	50 Å²	50	124.1 Å²	124.1	52%	0.515	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	54.6	-135.2	-174.6	0	0	0	0	0	112.4	T132 N137	T132-G135 PolarHBondContact O-N 2.84Å; T132-G135 PolarHBondContact OG1-N 2.93Å; G135-N137 VanDerWaalsContact C-N 3.3Å; G135-N137 PolarHBondContact O-N 2.88Å
136	A	95	Very high	92.6	Very high	111 Å²	111	123.8 Å²	123.8	92%	0.917	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	7	178.8	0	0	0	0	0	114.4	R134 G138	R134-A136 PolarHBondContact O-N 3.49Å; A136-G138 PolarHBondContact O-N 2.86Å
137	N	94.1	Very high	92.4	Very high	104 Å²	104	123.4 Å²	123.4	56%	0.556	72%	0.72	S	S	*	*			trans	-75.4	118.8	-175	-65.5	-47.6	0	0	0	112	R134 G135 S141	R134-N137 PolarHBondContact NH1-O 2.93Å; R134-N137 VanDerWaalsContact O-CB 3.26Å; R134-N137 WeakPolarHBondContact O-CB 3.17Å; R134-N137 PolarHBondContact O-N 2.86Å; R134-N137 PolarHBondContact O-ND2 2.95Å; G135-N137 VanDerWaalsContact C-N 3.3Å; G135-N137 PolarHBondContact O-N 2.88Å; N137-S141 PolarHBondContact O-OG 2.85Å
138	G	93.9	Very high	92.1	Very high	33 Å²	33	117.8 Å²	117.8	34%	0.34	71%	0.707	S	S	.	*			trans	-149.3	-173.6	175.9	0	0	0	0	0	112.8	A136 S141	A136-G138 PolarHBondContact O-N 2.86Å; G138-S141 PolarHBondContact N-OG 3.38Å; G138-S141 WeakPolarHBondContact O-CB 3.45Å; G138-S141 PolarHBondContact O-N 3.36Å
139	F	91.9	Very high	91.8	Very high	226 Å²	226	115.8 Å²	115.8	99%	0.991	70%	0.702	S	S	*	*	S	Bend	trans	56	53.7	174.3	-53.7	-82	0	0	0	115.1
140	G	89.4	Confident	91.4	Very high	57 Å²	57	114.6 Å²	114.6	59%	0.588	70%	0.702	S	S	*	*	S	Bend	trans	84.5	18.4	-178.7	0	0	0	0	0	114	T142 G143	G140-T142 PolarHBondContact O-N 2.92Å; G140-T142 VanDerWaalsContact O-N 3.11Å; G140-G143 PolarHBondContact O-N 3.27Å
141	S	86.6	Confident	91	Very high	56 Å²	56	113.1 Å²	113.1	39%	0.392	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	178.1	56.9	0	0	0	0	115	N137 G138	N137-S141 PolarHBondContact O-OG 2.85Å; G138-S141 PolarHBondContact N-OG 3.38Å; G138-S141 WeakPolarHBondContact O-CB 3.45Å; G138-S141 PolarHBondContact O-N 3.36Å
142	T	87.5	Confident	90.5	Very high	124 Å²	124	114 Å²	114	76%	0.761	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	6.5	175.3	55.7	0	0	0	0	113.4	G140	G140-T142 PolarHBondContact O-N 2.92Å; G140-T142 VanDerWaalsContact O-N 3.11Å
143	G	86.8	Confident	89.9	Confident	51 Å²	51	116.7 Å²	116.7	53%	0.526	71%	0.705	S	S	.	*			trans	91.9	-177	-177.6	0	0	0	0	0	114.4	G140	G140-G143 PolarHBondContact O-N 3.27Å
144	L	66.7	Low	89.4	Confident	257 Å²	257	111.1 Å²	111.1	100%	1.346	68%	0.683	S	S	*	*			trans	-87	0	170.6	-83.3	159.5	0	0	0	110.8

Retrieved 144 of 144 residues in 211 ms (Link to these results)

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