A0A5K4F893_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F893, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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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	32.9	Very low	39.8	Very low	195 Å²	195	97 Å²	97	96%	0.961	58%	0.576	S	S	*	*				0	118.2	0	-143.4	173.9	-177.7	0	0	107.7
2	H	36.7	Very low	40.3	Very low	132 Å²	132	95.8 Å²	95.8	61%	0.611	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	123.5	172.2	-95.4	-123.2	0	0	0	106.9	Y36	H2-Y36 PolarHBondContact CD2-OH 3.46Å; H2-Y36 AromaticContact CE1-CZ 3.93Å; H2-Y36 PolarHBondContact CE1-OH 3.22Å; H2-Y36 PolarHBondContact ND1-OH 2.96Å; H2-Y36 VanDerWaalsContact ND1-OH 3.15Å; H2-Y36 AromaticContact NE2-CZ 4Å; H2-Y36 PolarHBondContact NE2-OH 2.89Å
3	T	36.5	Very low	40.5	Very low	75 Å²	75	101.8 Å²	101.8	46%	0.46	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	122.8	170.5	-53	0	0	0	0	107.9	S26 R27	T3-S26 WeakPolarHBondContact O-CA 3.32Å; T3-R27 PolarHBondContact N-O 2.94Å; T3-R27 PolarHBondContact O-N 3.1Å
4	V	41.6	Very low	41	Very low	105 Å²	105	104.6 Å²	104.6	64%	0.636	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.5	117.5	172.3	-177.5	0	0	0	0	107.2	I24	V4-I24 HydrophobicContact CG1-CG2 3.48Å; V4-I24 VanDerWaalsContact CG1-CG2 3.48Å
5	C	37.9	Very low	42.2	Very low	40 Å²	40	106.7 Å²	106.7	27%	0.27	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	-179.1	-62	0	0	0	0	110.2	Q25	C5-Q25 HydrophobicContact CB-CB 4.29Å; C5-Q25 PolarHBondContact N-O 3.06Å; C5-Q25 PolarHBondContact O-N 2.9Å
6	T	39.1	Very low	43.1	Very low	114 Å²	114	104.5 Å²	104.5	70%	0.699	60%	0.595	S	S	*	*			trans	34.4	123.8	152.4	53.9	0	0	0	0	119.6
7	T	38.7	Very low	43.5	Very low	77 Å²	77	100.8 Å²	100.8	47%	0.472	57%	0.569	S	S	.	*			trans	-87.3	133.1	165.9	42.4	0	0	0	0	111.8	D22 I24	T7-D22 HydrophobicContact CG2-CB 4.33Å; T7-I24 HydrophobicContact CG2-CG1 4.36Å
8	T	39.5	Very low	43.7	Very low	119 Å²	119	98.3 Å²	98.3	73%	0.73	56%	0.557	S	S	*	*			trans	-100.4	114.7	161.1	-55.7	0	0	0	0	107.8
9	T	43.9	Very low	44	Very low	95 Å²	95	95.8 Å²	95.8	58%	0.583	54%	0.538	S	S	*	.			trans	-94.6	121.3	-175.2	-40.8	0	0	0	0	110.9	D22	T9-D22 VanDerWaalsContact CA-OD1 3.31Å; T9-D22 WeakPolarHBondContact CA-OD1 3.12Å; T9-D22 WeakPolarHBondContact CG2-OD1 3.35Å
10	G	45.7	Very low	44.2	Very low	33 Å²	33	97.4 Å²	97.4	34%	0.34	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	169.6	0	0	0	0	0	110.2	N21	G10-N21 PolarHBondContact O-N 3.33Å
11	S	45.5	Very low	44.7	Very low	82 Å²	82	96.1 Å²	96.1	57%	0.573	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	168.6	-61	0	0	0	0	109.2	Y19	S11-Y19 CarbonylContact C-O 3.57Å; S11-Y19 VanDerWaalsContact CA-O 3.29Å; S11-Y19 WeakPolarHBondContact CA-O 3.21Å
12	V	45.5	Very low	45.7	Very low	82 Å²	82	87.9 Å²	87.9	50%	0.497	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.3	176.4	-178.6	0	0	0	0	108.7	Y19	V12-Y19 PolarHBondContact N-O 2.88Å; V12-Y19 PolarHBondContact O-N 2.79Å
13	K	42.9	Very low	46.7	Very low	175 Å²	175	83.8 Å²	83.8	76%	0.761	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	168	-73	-174.8	178.4	-179.5	0	109.3	Y17 T18	K13-Y17 CarbonylContact C-O 3.54Å; K13-Y17 VanDerWaalsContact CA-O 3.25Å; K13-Y17 WeakPolarHBondContact CA-O 3.38Å; K13-T18 HydrophobicContact CG-CG2 4.41Å
14	Y	47.8	Very low	47.5	Very low	140 Å²	140	83.2 Å²	83.2	55%	0.549	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.7	177.8	-171.9	-109	0	0	0	109.2	G16 Y17	Y14-G16 VanDerWaalsContact C-N 3.3Å; Y14-G16 PolarHBondContact O-N 2.94Å; Y14-Y17 PolarHBondContact N-O 3.41Å; Y14-Y17 WeakPolarHBondContact O-CB 3.38Å; Y14-Y17 VanDerWaalsContact O-CD2 3.32Å; Y14-Y17 WeakPolarHBondContact O-CD2 3.43Å; Y14-Y17 PolarHBondContact O-N 2.81Å
15	H	58.4	Low	48.1	Very low	136 Å²	136	81.1 Å²	81.1	63%	0.63	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	42.2	179.5	-67.3	-44.1	0	0	0	115.8	Y17	H15-Y17 HydrophobicContact CB-CD2 4.1Å; H15-Y17 HydrophobicContact CB-CE2 4.17Å; H15-Y17 VanDerWaalsContact O-CD2 3.23Å; H15-Y17 WeakPolarHBondContact O-CD2 3.29Å; H15-Y17 WeakPolarHBondContact O-CE2 3.32Å; H15-Y17 PolarHBondContact O-N 2.92Å
16	G	57.5	Low	48.8	Very low	72 Å²	72	79.8 Å²	79.8	74%	0.742	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-1	-179.4	0	0	0	0	0	114.7	Y14	Y14-G16 VanDerWaalsContact C-N 3.3Å; Y14-G16 PolarHBondContact O-N 2.94Å
17	Y	49.2	Very low	49.5	Very low	42 Å²	42	81.5 Å²	81.5	17%	0.165	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.5	172.9	-49.9	-80.2	0	0	0	111.1	K13 Y14 H15 H45 S46 T48 D49	K13-Y17 CarbonylContact C-O 3.54Å; K13-Y17 VanDerWaalsContact CA-O 3.25Å; K13-Y17 WeakPolarHBondContact CA-O 3.38Å; Y14-Y17 PolarHBondContact N-O 3.41Å; Y14-Y17 WeakPolarHBondContact O-CB 3.38Å; Y14-Y17 VanDerWaalsContact O-CD2 3.32Å; Y14-Y17 WeakPolarHBondContact O-CD2 3.43Å; Y14-Y17 PolarHBondContact O-N 2.81Å; H15-Y17 HydrophobicContact CB-CD2 4.1Å; H15-Y17 HydrophobicContact CB-CE2 4.17Å; H15-Y17 VanDerWaalsContact O-CD2 3.23Å; H15-Y17 WeakPolarHBondContact O-CD2 3.29Å; H15-Y17 WeakPolarHBondContact O-CE2 3.32Å; H15-Y17 PolarHBondContact O-N 2.92Å; Y17-H45 VanDerWaalsContact CB-CE1 3.45Å; Y17-H45 WeakPolarHBondContact CB-CE1 3.32Å; Y17-H45 AromaticContact CD1-CE1 3.12Å; Y17-H45 WeakPolarHBondContact CD1-CE1 3.49Å; Y17-H45 AromaticContact CD1-NE2 3.15Å; Y17-H45 WeakPolarHBondContact CD1-NE2 3.07Å; Y17-H45 AromaticContact CE1-CE1 3.79Å; Y17-H45 AromaticContact CE1-NE2 3.59Å; Y17-H45 AromaticContact CG-CE1 3.27Å; Y17-H45 AromaticContact CG-NE2 3.82Å; Y17-S46 CarbonylContact C-O 3.55Å; Y17-S46 WeakPolarHBondContact CA-O 3.39Å; Y17-T48 WeakPolarHBondContact CE1-O 3.32Å; Y17-D49 VanDerWaalsContact OH-CA 3.32Å; Y17-D49 WeakPolarHBondContact OH-CA 3.3Å
18	T	47.2	Very low	50.1	Low	55 Å²	55	78.3 Å²	78.3	34%	0.337	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.3	169.9	-54.5	0	0	0	0	108.7	K13 S46	K13-T18 HydrophobicContact CG-CG2 4.41Å; T18-S46 PolarHBondContact N-O 3.15Å; T18-S46 PolarHBondContact O-N 3.02Å
19	Y	48.5	Very low	50.5	Low	51 Å²	51	78 Å²	78	20%	0.2	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	174.4	-61.1	-95.7	0	0	0	109.1	S11 V12 T43 L44 H45	S11-Y19 CarbonylContact C-O 3.57Å; S11-Y19 VanDerWaalsContact CA-O 3.29Å; S11-Y19 WeakPolarHBondContact CA-O 3.21Å; V12-Y19 PolarHBondContact N-O 2.88Å; V12-Y19 PolarHBondContact O-N 2.79Å; Y19-T43 HydrophobicContact CD1-CG2 4.14Å; Y19-L44 CarbonylContact C-O 3.48Å; Y19-L44 VanDerWaalsContact CA-O 3.3Å; Y19-L44 WeakPolarHBondContact CA-O 3.3Å; Y19-H45 HydrophobicContact CD1-CB 4.16Å; Y19-H45 AromaticContact CD1-ND1 3.61Å; Y19-H45 HydrophobicContact CE1-CB 4.16Å; Y19-H45 AromaticContact CE1-CE1 3.85Å; Y19-H45 AromaticContact CE1-CG 3.88Å; Y19-H45 AromaticContact CE1-ND1 2.93Å; Y19-H45 WeakPolarHBondContact CE1-ND1 3.08Å; Y19-H45 AromaticContact CE2-ND1 3.94Å; Y19-H45 AromaticContact CZ-CE1 3.6Å; Y19-H45 AromaticContact CZ-ND1 3.12Å; Y19-H45 PolarHBondContact OH-CE1 3.1Å; Y19-H45 VanDerWaalsContact OH-CE1 3.28Å; Y19-H45 PolarHBondContact OH-ND1 3.06Å
20	R	49.3	Very low	50.8	Low	128 Å²	128	75 Å²	75	48%	0.483	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.5	161.3	-67.5	-167.8	-71.5	172	-3.6	108.6	T43 L44	R20-T43 CarbonylContact O-C 3.58Å; R20-T43 WeakPolarHBondContact O-CA 3.25Å; R20-L44 HydrophobicContact CB-CB 4.3Å; R20-L44 PolarHBondContact N-O 2.9Å; R20-L44 PolarHBondContact O-N 2.83Å
21	N	54.5	Low	50.9	Low	70 Å²	70	78.3 Å²	78.3	37%	0.374	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115	178.4	-64.7	-53.8	0	0	0	108.6	G10 F42 T43	G10-N21 PolarHBondContact O-N 3.33Å; N21-F42 WeakPolarHBondContact CA-O 3.43Å; N21-T43 WeakPolarHBondContact OD1-CB 3.46Å; N21-T43 WeakPolarHBondContact OD1-CG2 3.46Å; N21-T43 PolarHBondContact OD1-OG1 3.27Å
22	D	53.3	Low	51.2	Low	22 Å²	22	80.9 Å²	80.9	12%	0.118	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	165.8	168.5	-26.2	-41.8	0	0	0	111.3	T7 T9 F42	T7-D22 HydrophobicContact CG2-CB 4.33Å; T9-D22 VanDerWaalsContact CA-OD1 3.31Å; T9-D22 WeakPolarHBondContact CA-OD1 3.12Å; T9-D22 WeakPolarHBondContact CG2-OD1 3.35Å; D22-F42 HydrophobicContact CB-CD1 4.34Å; D22-F42 HydrophobicContact CB-CD2 4.46Å; D22-F42 HydrophobicContact CB-CE1 3.55Å; D22-F42 HydrophobicContact CB-CE2 3.69Å; D22-F42 HydrophobicContact CB-CZ 3.22Å; D22-F42 VanDerWaalsContact CG-CE2 3.49Å; D22-F42 PolarHBondContact N-O 3.28Å; D22-F42 WeakPolarHBondContact O-CD1 3.15Å; D22-F42 PolarHBondContact O-N 2.94Å; D22-F42 WeakPolarHBondContact OD2-CE2 3.39Å; D22-F42 WeakPolarHBondContact OD2-CZ 2.93Å
23	Q	57.6	Low	51.5	Low	47 Å²	47	80.6 Å²	80.6	22%	0.22	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.9	-179.5	-178.3	-176.7	-4.7	0	0	108.8	Q25 S39 T40 Y41	Q23-Q25 HydrophobicContact CG-CG 4.29Å; Q23-S39 VanDerWaalsContact NE2-CB 3.32Å; Q23-S39 PolarHBondContact NE2-OG 3.49Å; Q23-S39 VanDerWaalsContact NE2-OG 3.07Å; Q23-T40 CarbonylContact C-O 3.31Å; Q23-T40 WeakPolarHBondContact CA-O 3.23Å; Q23-Y41 HydrophobicContact CB-CD1 3.99Å; Q23-Y41 HydrophobicContact CB-CE1 4.09Å; Q23-Y41 HydrophobicContact CG-CD1 3.89Å; Q23-Y41 HydrophobicContact CG-CE1 3.67Å; Q23-Y41 PolarHBondContact NE2-OH 2.77Å; Q23-Y41 VanDerWaalsContact OE1-CE1 3.3Å
24	I	53.6	Low	52.1	Low	62 Å²	62	72.8 Å²	72.8	32%	0.318	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.3	169.9	-58.7	176.2	0	0	0	107.2	V4 T7 S39 T40 F42	V4-I24 HydrophobicContact CG1-CG2 3.48Å; V4-I24 VanDerWaalsContact CG1-CG2 3.48Å; T7-I24 HydrophobicContact CG2-CG1 4.36Å; I24-S39 CarbonylContact O-C 3.45Å; I24-S39 VanDerWaalsContact O-CA 3.3Å; I24-S39 WeakPolarHBondContact O-CA 3.23Å; I24-T40 PolarHBondContact N-O 2.98Å; I24-T40 PolarHBondContact O-N 2.97Å; I24-F42 HydrophobicContact CD1-CD1 4.43Å; I24-F42 HydrophobicContact CD1-CE1 4.05Å; I24-F42 HydrophobicContact CG1-CD1 4.36Å; I24-F42 HydrophobicContact CG1-CE1 3.89Å
25	Q	54.3	Low	52.6	Low	61 Å²	61	69.2 Å²	69.2	29%	0.285	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.4	171.9	-59.9	-171.8	4	0	0	109	C5 Q23 E38	C5-Q25 HydrophobicContact CB-CB 4.29Å; C5-Q25 PolarHBondContact N-O 3.06Å; C5-Q25 PolarHBondContact O-N 2.9Å; Q23-Q25 HydrophobicContact CG-CG 4.29Å; Q25-E38 CarbonylContact C-O 3.36Å; Q25-E38 WeakPolarHBondContact CA-O 3.1Å
26	S	53.9	Low	52.6	Low	13 Å²	13	64 Å²	64	9%	0.091	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.1	171.3	51.9	0	0	0	0	109.7	T3 E38	T3-S26 WeakPolarHBondContact O-CA 3.32Å; S26-E38 PolarHBondContact N-O 2.83Å; S26-E38 PolarHBondContact O-N 2.73Å; S26-E38 VanDerWaalsContact OG-CB 3.23Å; S26-E38 WeakPolarHBondContact OG-CB 3.33Å
27	R	51.8	Low	52.7	Low	149 Å²	149	62.9 Å²	62.9	56%	0.562	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.7	169.5	-64	-176.9	-174.3	177.6	4.2	108.2	T3	T3-R27 PolarHBondContact N-O 2.94Å; T3-R27 PolarHBondContact O-N 3.1Å
28	G	51.2	Low	53.3	Low	10 Å²	10	63.5 Å²	63.5	10%	0.103	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	173.9	-179.3	0	0	0	0	0	112.9	S35 Y36	G28-S35 WeakPolarHBondContact O-CA 3.29Å; G28-Y36 VanDerWaalsContact C-CE1 3.43Å; G28-Y36 PolarHBondContact N-O 3.31Å; G28-Y36 VanDerWaalsContact N-O 3.09Å; G28-Y36 VanDerWaalsContact O-CD1 3.26Å; G28-Y36 WeakPolarHBondContact O-CD1 3.35Å; G28-Y36 PolarHBondContact O-N 2.72Å
29	N	48.7	Very low	53.9	Low	112 Å²	112	61.8 Å²	61.8	60%	0.599	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.3	170	-65.7	-29.6	0	0	0	108.3	S35	N29-S35 PolarHBondContact OD1-OG 3.22Å
30	S	50.3	Low	54.6	Low	32 Å²	32	60.7 Å²	60.7	22%	0.224	34%	0.342	C	S	.	.			trans	-66.9	152	172.3	66.9	0	0	0	0	110	K32 G33 G34	S30-K32 PolarHBondContact O-N 3.03Å; S30-G33 PolarHBondContact O-N 3.32Å; S30-G34 VanDerWaalsContact CB-O 3.31Å; S30-G34 WeakPolarHBondContact CB-O 3.39Å; S30-G34 PolarHBondContact N-O 2.97Å; S30-G34 WeakPolarHBondContact OG-CA 3.45Å; S30-G34 PolarHBondContact OG-N 2.91Å; S30-G34 PolarHBondContact OG-O 3.19Å
31	A	48	Very low	55.3	Low	103 Å²	103	59.2 Å²	59.2	85%	0.851	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.7	176	0	0	0	0	0	113.5
32	K	52.1	Low	55.9	Low	136 Å²	136	57.1 Å²	57.1	59%	0.591	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	13.5	-179	-62	-171	178.8	-175.9	0	114.1	S30 Y69	S30-K32 PolarHBondContact O-N 3.03Å; K32-Y69 HydrophobicContact CD-CD2 4.33Å; K32-Y69 HydrophobicContact CD-CE2 4.21Å
33	G	50.7	Low	56.3	Low	76 Å²	76	57.8 Å²	57.8	78%	0.784	33%	0.33	S	S	*	.	S	Bend	trans	87.6	8.8	171	0	0	0	0	0	116.1	S30	S30-G33 PolarHBondContact O-N 3.32Å
34	G	55.3	Low	56.6	Low	12 Å²	12	57.9 Å²	57.9	12%	0.124	33%	0.331	C	S	.	.			trans	-100.2	145.3	171.6	0	0	0	0	0	112.3	S30 N67	S30-G34 VanDerWaalsContact CB-O 3.31Å; S30-G34 WeakPolarHBondContact CB-O 3.39Å; S30-G34 PolarHBondContact N-O 2.97Å; S30-G34 WeakPolarHBondContact OG-CA 3.45Å; S30-G34 PolarHBondContact OG-N 2.91Å; S30-G34 PolarHBondContact OG-O 3.19Å; G34-N67 VanDerWaalsContact CA-O 3.24Å; G34-N67 WeakPolarHBondContact CA-O 3.23Å
35	S	59.2	Low	57.1	Low	65 Å²	65	55.2 Å²	55.2	46%	0.455	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.1	168.9	-54.7	0	0	0	0	110.4	G28 N29 N67	G28-S35 WeakPolarHBondContact O-CA 3.29Å; N29-S35 PolarHBondContact OD1-OG 3.22Å; S35-N67 PolarHBondContact O-N 3.12Å
36	Y	58.8	Low	57.7	Low	26 Å²	26	55.3 Å²	55.3	10%	0.102	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	174	71.5	-90.4	0	0	0	110.8	H2 G28 E38 R65	H2-Y36 PolarHBondContact CD2-OH 3.46Å; H2-Y36 AromaticContact CE1-CZ 3.93Å; H2-Y36 PolarHBondContact CE1-OH 3.22Å; H2-Y36 PolarHBondContact ND1-OH 2.96Å; H2-Y36 VanDerWaalsContact ND1-OH 3.15Å; H2-Y36 AromaticContact NE2-CZ 4Å; H2-Y36 PolarHBondContact NE2-OH 2.89Å; G28-Y36 VanDerWaalsContact C-CE1 3.43Å; G28-Y36 PolarHBondContact N-O 3.31Å; G28-Y36 VanDerWaalsContact N-O 3.09Å; G28-Y36 VanDerWaalsContact O-CD1 3.26Å; G28-Y36 WeakPolarHBondContact O-CD1 3.35Å; G28-Y36 PolarHBondContact O-N 2.72Å; Y36-E38 HydrophobicContact CD2-CB 4.32Å; Y36-E38 HydrophobicContact CD2-CG 3.83Å; Y36-E38 HydrophobicContact CE2-CB 4.46Å; Y36-E38 HydrophobicContact CE2-CG 4.24Å; Y36-R65 WeakPolarHBondContact CA-O 3.48Å
37	S	59.8	Low	58.5	Low	48 Å²	48	55.2 Å²	55.2	34%	0.336	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.1	171.7	-178.2	0	0	0	0	107.4	G64 R65	S37-G64 CarbonylContact O-C 3.49Å; S37-G64 WeakPolarHBondContact O-CA 3.43Å; S37-R65 PolarHBondContact N-O 3.19Å; S37-R65 PolarHBondContact O-N 3.23Å
38	E	60.7	Low	59.5	Low	56 Å²	56	51.3 Å²	51.3	26%	0.262	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	154	179.8	-82	170.4	-163.1	0	0	109.7	Q25 S26 Y36 T62 R63	Q25-E38 CarbonylContact C-O 3.36Å; Q25-E38 WeakPolarHBondContact CA-O 3.1Å; S26-E38 PolarHBondContact N-O 2.83Å; S26-E38 PolarHBondContact O-N 2.73Å; S26-E38 VanDerWaalsContact OG-CB 3.23Å; S26-E38 WeakPolarHBondContact OG-CB 3.33Å; Y36-E38 HydrophobicContact CD2-CB 4.32Å; Y36-E38 HydrophobicContact CD2-CG 3.83Å; Y36-E38 HydrophobicContact CE2-CB 4.46Å; Y36-E38 HydrophobicContact CE2-CG 4.24Å; E38-T62 HydrophobicContact CB-CG2 4.39Å; E38-T62 HydrophobicContact CG-CG2 4.43Å; E38-R63 CarbonylContact C-O 3.54Å; E38-R63 WeakPolarHBondContact CA-O 3.37Å
39	S	61.5	Low	60.7	Low	18 Å²	18	52.2 Å²	52.2	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.9	179.4	-74.9	0	0	0	0	107.5	Q23 I24 T62 R63	Q23-S39 VanDerWaalsContact NE2-CB 3.32Å; Q23-S39 PolarHBondContact NE2-OG 3.49Å; Q23-S39 VanDerWaalsContact NE2-OG 3.07Å; I24-S39 CarbonylContact O-C 3.45Å; I24-S39 VanDerWaalsContact O-CA 3.3Å; I24-S39 WeakPolarHBondContact O-CA 3.23Å; S39-T62 WeakPolarHBondContact O-CA 3.36Å; S39-R63 PolarHBondContact N-O 3.19Å; S39-R63 PolarHBondContact O-N 2.88Å; S39-R63 VanDerWaalsContact O-O 3.11Å
40	T	63.1	Low	62	Low	29 Å²	29	56.9 Å²	56.9	18%	0.178	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.6	174.2	-58.5	0	0	0	0	108.6	Q23 I24 F60 Q61 T62	Q23-T40 CarbonylContact C-O 3.31Å; Q23-T40 WeakPolarHBondContact CA-O 3.23Å; I24-T40 PolarHBondContact N-O 2.98Å; I24-T40 PolarHBondContact O-N 2.97Å; T40-F60 HydrophobicContact CG2-CD1 4.49Å; T40-Q61 WeakPolarHBondContact CA-O 3.47Å; T40-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T40-T62 WeakPolarHBondContact OG1-CG2 3.45Å; T40-T62 PolarHBondContact OG1-OG1 3.06Å
41	Y	64.1	Low	63.8	Low	96 Å²	96	62.3 Å²	62.3	38%	0.376	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.1	171.2	-59.6	-88.9	0	0	0	108.1	Q23 F60 Q61	Q23-Y41 HydrophobicContact CB-CD1 3.99Å; Q23-Y41 HydrophobicContact CB-CE1 4.09Å; Q23-Y41 HydrophobicContact CG-CD1 3.89Å; Q23-Y41 HydrophobicContact CG-CE1 3.67Å; Q23-Y41 PolarHBondContact NE2-OH 2.77Å; Q23-Y41 VanDerWaalsContact OE1-CE1 3.3Å; Y41-F60 CarbonylContact O-C 3.53Å; Y41-F60 VanDerWaalsContact O-CA 3.31Å; Y41-F60 WeakPolarHBondContact O-CA 2.93Å; Y41-Q61 PolarHBondContact N-O 2.84Å; Y41-Q61 PolarHBondContact O-N 2.78Å
42	F	66.1	Low	65.1	Low	26 Å²	26	60.1 Å²	60.1	11%	0.114	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.7	170.7	63	-92.7	0	0	0	110.6	N21 D22 I24 R59 F60	N21-F42 WeakPolarHBondContact CA-O 3.43Å; D22-F42 HydrophobicContact CB-CD1 4.34Å; D22-F42 HydrophobicContact CB-CD2 4.46Å; D22-F42 HydrophobicContact CB-CE1 3.55Å; D22-F42 HydrophobicContact CB-CE2 3.69Å; D22-F42 HydrophobicContact CB-CZ 3.22Å; D22-F42 VanDerWaalsContact CG-CE2 3.49Å; D22-F42 PolarHBondContact N-O 3.28Å; D22-F42 WeakPolarHBondContact O-CD1 3.15Å; D22-F42 PolarHBondContact O-N 2.94Å; D22-F42 WeakPolarHBondContact OD2-CE2 3.39Å; D22-F42 WeakPolarHBondContact OD2-CZ 2.93Å; I24-F42 HydrophobicContact CD1-CD1 4.43Å; I24-F42 HydrophobicContact CD1-CE1 4.05Å; I24-F42 HydrophobicContact CG1-CD1 4.36Å; I24-F42 HydrophobicContact CG1-CE1 3.89Å; F42-R59 CarbonylContact C-O 3.57Å; F42-R59 VanDerWaalsContact CA-O 3.28Å; F42-R59 WeakPolarHBondContact CA-O 3.38Å; F42-F60 HydrophobicContact CB-CD1 3.51Å; F42-F60 HydrophobicContact CB-CE1 3.59Å; F42-F60 HydrophobicContact CB-CG 4.24Å; F42-F60 HydrophobicContact CB-CZ 4.39Å; F42-F60 HydrophobicContact CG-CE1 4.27Å
43	T	61.8	Low	66.2	Low	37 Å²	37	60.9 Å²	60.9	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.9	171.9	-60.9	0	0	0	0	107.4	Y19 R20 N21 S58 R59	Y19-T43 HydrophobicContact CD1-CG2 4.14Å; R20-T43 CarbonylContact O-C 3.58Å; R20-T43 WeakPolarHBondContact O-CA 3.25Å; N21-T43 WeakPolarHBondContact OD1-CB 3.46Å; N21-T43 WeakPolarHBondContact OD1-CG2 3.46Å; N21-T43 PolarHBondContact OD1-OG1 3.27Å; T43-S58 CarbonylContact O-C 3.56Å; T43-S58 VanDerWaalsContact O-CA 3.32Å; T43-S58 WeakPolarHBondContact O-CA 3.39Å; T43-R59 PolarHBondContact N-O 2.95Å; T43-R59 PolarHBondContact O-N 3.32Å
44	L	62.9	Low	67.1	Low	48 Å²	48	66.8 Å²	66.8	25%	0.251	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.8	165.1	-59.2	175.1	0	0	0	107.1	Y19 R20 S58	Y19-L44 CarbonylContact C-O 3.48Å; Y19-L44 VanDerWaalsContact CA-O 3.3Å; Y19-L44 WeakPolarHBondContact CA-O 3.3Å; R20-L44 HydrophobicContact CB-CB 4.3Å; R20-L44 PolarHBondContact N-O 2.9Å; R20-L44 PolarHBondContact O-N 2.83Å; L44-S58 WeakPolarHBondContact CD2-OG 3.31Å
45	H	65.4	Low	67.7	Low	7 Å²	7	69.9 Å²	69.9	3%	0.032	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.8	173	174	95.2	0	0	0	108.5	Y17 Y19 N55 D56 Y57	Y17-H45 VanDerWaalsContact CB-CE1 3.45Å; Y17-H45 WeakPolarHBondContact CB-CE1 3.32Å; Y17-H45 AromaticContact CD1-CE1 3.12Å; Y17-H45 WeakPolarHBondContact CD1-CE1 3.49Å; Y17-H45 AromaticContact CD1-NE2 3.15Å; Y17-H45 WeakPolarHBondContact CD1-NE2 3.07Å; Y17-H45 AromaticContact CE1-CE1 3.79Å; Y17-H45 AromaticContact CE1-NE2 3.59Å; Y17-H45 AromaticContact CG-CE1 3.27Å; Y17-H45 AromaticContact CG-NE2 3.82Å; Y19-H45 HydrophobicContact CD1-CB 4.16Å; Y19-H45 AromaticContact CD1-ND1 3.61Å; Y19-H45 HydrophobicContact CE1-CB 4.16Å; Y19-H45 AromaticContact CE1-CE1 3.85Å; Y19-H45 AromaticContact CE1-CG 3.88Å; Y19-H45 AromaticContact CE1-ND1 2.93Å; Y19-H45 WeakPolarHBondContact CE1-ND1 3.08Å; Y19-H45 AromaticContact CE2-ND1 3.94Å; Y19-H45 AromaticContact CZ-CE1 3.6Å; Y19-H45 AromaticContact CZ-ND1 3.12Å; Y19-H45 PolarHBondContact OH-CE1 3.1Å; Y19-H45 VanDerWaalsContact OH-CE1 3.28Å; Y19-H45 PolarHBondContact OH-ND1 3.06Å; H45-N55 PolarHBondContact CD2-O 2.79Å; H45-N55 PolarHBondContact NE2-O 2.85Å; H45-D56 WeakPolarHBondContact O-CA 3.25Å; H45-Y57 HydrophobicContact CB-CD1 3.8Å; H45-Y57 HydrophobicContact CB-CD2 4.1Å; H45-Y57 HydrophobicContact CB-CE1 3.48Å; H45-Y57 VanDerWaalsContact CB-CE1 3.48Å; H45-Y57 HydrophobicContact CB-CE2 3.79Å; H45-Y57 HydrophobicContact CB-CG 4.09Å; H45-Y57 VanDerWaalsContact CB-CZ 3.46Å; H45-Y57 AromaticContact CD2-CD1 3.43Å; H45-Y57 VanDerWaalsContact CD2-CD1 3.43Å; H45-Y57 WeakPolarHBondContact CD2-CD1 3.28Å; H45-Y57 AromaticContact CD2-CE1 3.23Å; H45-Y57 WeakPolarHBondContact CD2-CE1 3.35Å; H45-Y57 AromaticContact CG-CD1 3.75Å; H45-Y57 AromaticContact CG-CE1 3.24Å; H45-Y57 AromaticContact CG-CZ 3.62Å; H45-Y57 PolarHBondContact N-O 3.11Å; H45-Y57 AromaticContact ND1-CE1 3.82Å; H45-Y57 AromaticContact NE2-CE1 3.77Å; H45-Y57 PolarHBondContact O-N 3.45Å; H45-Y57 VanDerWaalsContact O-O 3.13Å
46	S	66.5	Low	68.1	Low	63 Å²	63	69.1 Å²	69.1	44%	0.441	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.8	169.7	-178.2	0	0	0	0	111	Y17 T18 D56	Y17-S46 CarbonylContact C-O 3.55Å; Y17-S46 WeakPolarHBondContact CA-O 3.39Å; T18-S46 PolarHBondContact N-O 3.15Å; T18-S46 PolarHBondContact O-N 3.02Å; S46-D56 WeakPolarHBondContact CA-OD1 3.31Å; S46-D56 WeakPolarHBondContact CB-OD1 3.11Å; S46-D56 PolarHBondContact OG-OD1 3.16Å
47	G	71.1	Confident	68.5	Low	10 Å²	10	71.5 Å²	71.5	10%	0.103	35%	0.346	C	S	.	.			trans	159.8	-170.7	174.1	0	0	0	0	0	112.8	N55 D56	G47-N55 PolarHBondContact O-N 2.92Å; G47-D56 PolarHBondContact N-OD1 3.15Å
48	T	72.8	Confident	68.5	Low	68 Å²	68	70 Å²	70	42%	0.417	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-119.2	133.1	-170	-51.8	0	0	0	0	109	Y17 G52 R53	Y17-T48 WeakPolarHBondContact CE1-O 3.32Å; T48-G52 VanDerWaalsContact CG2-O 3.29Å; T48-G52 WeakPolarHBondContact CG2-O 3.35Å; T48-R53 CarbonylContact C-O 3.55Å; T48-R53 WeakPolarHBondContact CA-O 3.45Å; T48-R53 WeakPolarHBondContact CG2-O 3.36Å
49	D	75.3	Confident	68.6	Low	28 Å²	28	73.4 Å²	73.4	15%	0.15	35%	0.346	C	S	.	.			trans	-66.5	169.8	174.7	81.6	2	0	0	0	112.2	Y17 Y51 G52 R53	Y17-D49 VanDerWaalsContact OH-CA 3.32Å; Y17-D49 WeakPolarHBondContact OH-CA 3.3Å; D49-Y51 PolarHBondContact O-N 3.28Å; D49-Y51 VanDerWaalsContact OD1-CA 3.32Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.2Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.33Å; D49-Y51 PolarHBondContact OD1-N 2.87Å; D49-G52 PolarHBondContact O-N 3.17Å; D49-G52 PolarHBondContact OD1-N 3.13Å; D49-R53 PolarHBondContact N-O 3.48Å; D49-R53 WeakPolarHBondContact OD1-CB 3.29Å; D49-R53 PolarHBondContact OD1-N 3.38Å; D49-R53 IonicContact OD1-NE 3.81Å; D49-R53 IonicContact OD2-CZ 3.3Å; D49-R53 VanDerWaalsContact OD2-CZ 3.3Å; D49-R53 IonicContact OD2-NE 2.92Å; D49-R53 PolarHBondContact OD2-NE 2.82Å; D49-R53 IonicContact OD2-NH2 2.81Å; D49-R53 PolarHBondContact OD2-NH2 2.85Å
50	R	77.1	Confident	68.6	Low	210 Å²	210	75.4 Å²	75.4	79%	0.792	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-9	179.4	72.3	-177.7	-147.4	163.4	7.9	114.3
51	Y	86.7	Confident	68.6	Low	146 Å²	146	76 Å²	76	57%	0.573	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	10.6	178.1	-53.5	-70.3	0	0	0	112.4	D49 R53	D49-Y51 PolarHBondContact O-N 3.28Å; D49-Y51 VanDerWaalsContact OD1-CA 3.32Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.2Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.33Å; D49-Y51 PolarHBondContact OD1-N 2.87Å; Y51-R53 VanDerWaalsContact C-N 3.29Å; Y51-R53 PolarHBondContact O-N 3.47Å
52	G	75.7	Confident	68.4	Low	58 Å²	58	72.6 Å²	72.6	60%	0.598	34%	0.343	S	S	*	.	S	Bend	trans	79.9	7.7	179.7	0	0	0	0	0	114.1	T48 D49	T48-G52 VanDerWaalsContact CG2-O 3.29Å; T48-G52 WeakPolarHBondContact CG2-O 3.35Å; D49-G52 PolarHBondContact O-N 3.17Å; D49-G52 PolarHBondContact OD1-N 3.13Å
53	R	75.4	Confident	68.3	Low	151 Å²	151	78.1 Å²	78.1	57%	0.57	36%	0.363	S	S	*	.			trans	-91.2	134.4	-179.1	-57	178.4	-63.7	-178	1.7	110.5	T48 D49 Y51 N55	T48-R53 CarbonylContact C-O 3.55Å; T48-R53 WeakPolarHBondContact CA-O 3.45Å; T48-R53 WeakPolarHBondContact CG2-O 3.36Å; D49-R53 PolarHBondContact N-O 3.48Å; D49-R53 WeakPolarHBondContact OD1-CB 3.29Å; D49-R53 PolarHBondContact OD1-N 3.38Å; D49-R53 IonicContact OD1-NE 3.81Å; D49-R53 IonicContact OD2-CZ 3.3Å; D49-R53 VanDerWaalsContact OD2-CZ 3.3Å; D49-R53 IonicContact OD2-NE 2.92Å; D49-R53 PolarHBondContact OD2-NE 2.82Å; D49-R53 IonicContact OD2-NH2 2.81Å; D49-R53 PolarHBondContact OD2-NH2 2.85Å; Y51-R53 VanDerWaalsContact C-N 3.29Å; Y51-R53 PolarHBondContact O-N 3.47Å; R53-N55 PolarHBondContact O-N 2.8Å
54	R	70.1	Confident	68.3	Low	200 Å²	200	77.3 Å²	77.3	76%	0.755	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-63.1	131.6	173.9	-69.7	-179.4	62.6	-176.1	-0.4	109.9	D56	R54-D56 IonicContact CZ-OD2 3.33Å; R54-D56 IonicContact NE-OD2 3.1Å; R54-D56 PolarHBondContact NE-OD2 2.89Å; R54-D56 VanDerWaalsContact NE-OD2 3.1Å; R54-D56 IonicContact NH2-OD2 2.72Å; R54-D56 PolarHBondContact NH2-OD2 2.75Å
55	N	68	Low	68.1	Low	78 Å²	78	85.2 Å²	85.2	42%	0.417	39%	0.388	S	S	.	.			trans	-130.9	51.5	178.6	-172.4	36.1	0	0	0	110.3	H45 G47 R53	H45-N55 PolarHBondContact CD2-O 2.79Å; H45-N55 PolarHBondContact NE2-O 2.85Å; G47-N55 PolarHBondContact O-N 2.92Å; R53-N55 PolarHBondContact O-N 2.8Å
56	D	68.3	Low	67.6	Low	48 Å²	48	86.4 Å²	86.4	26%	0.257	40%	0.397	S	S	.	.			trans	-76.1	126.3	-179.9	-54.3	-47.5	0	0	0	110	H45 S46 G47 R54	H45-D56 WeakPolarHBondContact O-CA 3.25Å; S46-D56 WeakPolarHBondContact CA-OD1 3.31Å; S46-D56 WeakPolarHBondContact CB-OD1 3.11Å; S46-D56 PolarHBondContact OG-OD1 3.16Å; G47-D56 PolarHBondContact N-OD1 3.15Å; R54-D56 IonicContact CZ-OD2 3.33Å; R54-D56 IonicContact NE-OD2 3.1Å; R54-D56 PolarHBondContact NE-OD2 2.89Å; R54-D56 VanDerWaalsContact NE-OD2 3.1Å; R54-D56 IonicContact NH2-OD2 2.72Å; R54-D56 PolarHBondContact NH2-OD2 2.75Å
57	Y	66.5	Low	67.2	Low	77 Å²	77	89.6 Å²	89.6	30%	0.302	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.8	175.5	69.9	-94.2	0	0	0	111.5	H45 D79 V80	H45-Y57 HydrophobicContact CB-CD1 3.8Å; H45-Y57 HydrophobicContact CB-CD2 4.1Å; H45-Y57 HydrophobicContact CB-CE1 3.48Å; H45-Y57 VanDerWaalsContact CB-CE1 3.48Å; H45-Y57 HydrophobicContact CB-CE2 3.79Å; H45-Y57 HydrophobicContact CB-CG 4.09Å; H45-Y57 VanDerWaalsContact CB-CZ 3.46Å; H45-Y57 AromaticContact CD2-CD1 3.43Å; H45-Y57 VanDerWaalsContact CD2-CD1 3.43Å; H45-Y57 WeakPolarHBondContact CD2-CD1 3.28Å; H45-Y57 AromaticContact CD2-CE1 3.23Å; H45-Y57 WeakPolarHBondContact CD2-CE1 3.35Å; H45-Y57 AromaticContact CG-CD1 3.75Å; H45-Y57 AromaticContact CG-CE1 3.24Å; H45-Y57 AromaticContact CG-CZ 3.62Å; H45-Y57 PolarHBondContact N-O 3.11Å; H45-Y57 AromaticContact ND1-CE1 3.82Å; H45-Y57 AromaticContact NE2-CE1 3.77Å; H45-Y57 PolarHBondContact O-N 3.45Å; H45-Y57 VanDerWaalsContact O-O 3.13Å; Y57-D79 WeakPolarHBondContact CB-OD1 3.45Å; Y57-V80 VanDerWaalsContact C-CG2 3.45Å
58	S	60.1	Low	66.3	Low	15 Å²	15	92.7 Å²	92.7	11%	0.105	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.6	175.9	-64.2	0	0	0	0	105.7	T43 L44 F78 D79 V80	T43-S58 CarbonylContact O-C 3.56Å; T43-S58 VanDerWaalsContact O-CA 3.32Å; T43-S58 WeakPolarHBondContact O-CA 3.39Å; L44-S58 WeakPolarHBondContact CD2-OG 3.31Å; S58-F78 CarbonylContact C-O 3.36Å; S58-D79 PolarHBondContact N-OD1 2.83Å; S58-D79 VanDerWaalsContact O-CA 3.3Å; S58-D79 WeakPolarHBondContact O-CA 3.43Å; S58-V80 WeakPolarHBondContact OG-CG2 3.31Å
59	R	61.3	Low	65.1	Low	129 Å²	129	93.4 Å²	93.4	49%	0.487	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.8	174.1	-164.2	-179.3	179.2	162.6	-0.6	108.5	F42 T43 V77 F78	F42-R59 CarbonylContact C-O 3.57Å; F42-R59 VanDerWaalsContact CA-O 3.28Å; F42-R59 WeakPolarHBondContact CA-O 3.38Å; T43-R59 PolarHBondContact N-O 2.95Å; T43-R59 PolarHBondContact O-N 3.32Å; R59-V77 HydrophobicContact CG-CG1 3.62Å; R59-F78 WeakPolarHBondContact CA-O 3.43Å
60	F	62	Low	63.9	Low	60 Å²	60	100.5 Å²	100.5	26%	0.263	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146	170.6	-59.9	-100.6	0	0	0	108.4	T40 Y41 F42 N76 V77 F78	T40-F60 HydrophobicContact CG2-CD1 4.49Å; Y41-F60 CarbonylContact O-C 3.53Å; Y41-F60 VanDerWaalsContact O-CA 3.31Å; Y41-F60 WeakPolarHBondContact O-CA 2.93Å; F42-F60 HydrophobicContact CB-CD1 3.51Å; F42-F60 HydrophobicContact CB-CE1 3.59Å; F42-F60 HydrophobicContact CB-CG 4.24Å; F42-F60 HydrophobicContact CB-CZ 4.39Å; F42-F60 HydrophobicContact CG-CE1 4.27Å; F60-N76 CarbonylContact C-O 3.55Å; F60-N76 VanDerWaalsContact C-O 3.31Å; F60-V77 VanDerWaalsContact O-CA 3.25Å; F60-V77 WeakPolarHBondContact O-CA 2.99Å; F60-F78 HydrophobicContact CB-CD2 3.66Å; F60-F78 HydrophobicContact CB-CE2 4.45Å; F60-F78 HydrophobicContact CD2-CB 3.6Å; F60-F78 AromaticContact CD2-CD2 3.93Å; F60-F78 HydrophobicContact CD2-CD2 3.93Å; F60-F78 HydrophobicContact CD2-CG 4.25Å; F60-F78 HydrophobicContact CE2-CB 4.18Å; F60-F78 HydrophobicContact CG-CB 4.36Å; F60-F78 AromaticContact CG-CD2 3.83Å; F60-F78 HydrophobicContact CG-CD2 3.83Å; F60-F78 PolarHBondContact N-O 3Å
61	Q	63.5	Low	62.4	Low	42 Å²	42	95.5 Å²	95.5	20%	0.196	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	107.5	174.7	164.9	156.7	79	0	0	108.4	T40 Y41 R63 L75	T40-Q61 WeakPolarHBondContact CA-O 3.47Å; Y41-Q61 PolarHBondContact N-O 2.84Å; Y41-Q61 PolarHBondContact O-N 2.78Å; Q61-R63 HydrophobicContact CG-CG 4.01Å; Q61-L75 HydrophobicContact CB-CD1 3.93Å; Q61-L75 HydrophobicContact CG-CD1 3.4Å
62	T	60.2	Low	60.3	Low	24 Å²	24	92.2 Å²	92.2	15%	0.147	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.3	172.9	-50.1	0	0	0	0	110.4	E38 S39 T40	E38-T62 HydrophobicContact CB-CG2 4.39Å; E38-T62 HydrophobicContact CG-CG2 4.43Å; S39-T62 WeakPolarHBondContact O-CA 3.36Å; T40-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T40-T62 WeakPolarHBondContact OG1-CG2 3.45Å; T40-T62 PolarHBondContact OG1-OG1 3.06Å
63	R	63.7	Low	58.8	Low	141 Å²	141	93.5 Å²	93.5	53%	0.532	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.1	173.3	-58.2	-177.5	-177.4	-170.8	2.6	108.2	E38 S39 Q61	E38-R63 CarbonylContact C-O 3.54Å; E38-R63 WeakPolarHBondContact CA-O 3.37Å; S39-R63 PolarHBondContact N-O 3.19Å; S39-R63 PolarHBondContact O-N 2.88Å; S39-R63 VanDerWaalsContact O-O 3.11Å; Q61-R63 HydrophobicContact CG-CG 4.01Å
64	G	61.4	Low	57.4	Low	20 Å²	20	90.1 Å²	90.1	21%	0.206	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-166.8	179.1	0	0	0	0	0	113.8	S37 M73	S37-G64 CarbonylContact O-C 3.49Å; S37-G64 WeakPolarHBondContact O-CA 3.43Å; G64-M73 VanDerWaalsContact CA-SD 3.53Å; G64-M73 PolarHBondContact N-SD 2.82Å
65	R	58.6	Low	56.1	Low	214 Å²	214	82 Å²	82	81%	0.808	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.1	162.4	-64.7	-174.2	179.5	164.4	-0.6	107.4	Y36 S37	Y36-R65 WeakPolarHBondContact CA-O 3.48Å; S37-R65 PolarHBondContact N-O 3.19Å; S37-R65 PolarHBondContact O-N 3.23Å
66	S	56.1	Low	55	Low	32 Å²	32	80.4 Å²	80.4	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139	168.6	72.9	0	0	0	0	109.7	G68 Y69	S66-G68 PolarHBondContact O-N 3.29Å; S66-Y69 PolarHBondContact OG-N 3.13Å; S66-Y69 PolarHBondContact OG-O 2.83Å
67	N	57.2	Low	53.7	Low	131 Å²	131	79.5 Å²	79.5	70%	0.701	38%	0.38	S	S	*	.	S	Bend	trans	-85	101.1	166.9	-71.3	-13.6	0	0	0	106.8	G34 S35	G34-N67 VanDerWaalsContact CA-O 3.24Å; G34-N67 WeakPolarHBondContact CA-O 3.23Å; S35-N67 PolarHBondContact O-N 3.12Å
68	G	51.8	Low	52.4	Low	75 Å²	75	78.9 Å²	78.9	77%	0.773	38%	0.379	S	S	*	.	S	Bend	trans	118.2	-16.3	171.2	0	0	0	0	0	116.5	S66	S66-G68 PolarHBondContact O-N 3.29Å
69	Y	48.2	Very low	51.4	Low	82 Å²	82	81.1 Å²	81.1	32%	0.322	39%	0.39	S	S	.	.			trans	-141.8	84	178.6	-158.7	-88	0	0	0	113.1	K32 S66 E71 N72	K32-Y69 HydrophobicContact CD-CD2 4.33Å; K32-Y69 HydrophobicContact CD-CE2 4.21Å; S66-Y69 PolarHBondContact OG-N 3.13Å; S66-Y69 PolarHBondContact OG-O 2.83Å; Y69-E71 HydrophobicContact CD1-CB 4.5Å; Y69-E71 HydrophobicContact CE1-CB 3.99Å; Y69-E71 PolarHBondContact O-N 2.81Å; Y69-E71 VanDerWaalsContact O-N 3.1Å; Y69-N72 HydrophobicContact CD1-CB 4.18Å; Y69-N72 HydrophobicContact CE1-CB 4.29Å; Y69-N72 VanDerWaalsContact CE1-CG 3.43Å; Y69-N72 VanDerWaalsContact CE1-ND2 3.31Å; Y69-N72 WeakPolarHBondContact CE1-ND2 3.3Å; Y69-N72 WeakPolarHBondContact CE1-OD1 3.25Å
70	R	49.2	Very low	50.5	Low	178 Å²	178	79 Å²	79	67%	0.672	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-10	-169.4	-70.7	-173.5	170.2	-171.7	8.6	116.5	E97	R70-E97 WeakPolarHBondContact CD-OE2 3.45Å; R70-E97 VanDerWaalsContact CZ-CD 3.43Å; R70-E97 IonicContact CZ-OE1 3.94Å; R70-E97 IonicContact CZ-OE2 2.91Å; R70-E97 VanDerWaalsContact CZ-OE2 3.23Å; R70-E97 IonicContact NE-OE1 2.75Å; R70-E97 IonicContact NE-OE2 3.9Å; R70-E97 IonicContact NH1-OE1 3.23Å; R70-E97 PolarHBondContact NH1-OE1 3.4Å; R70-E97 IonicContact NH1-OE2 2.56Å; R70-E97 PolarHBondContact NH1-OE2 2.56Å; R70-E97 IonicContact NH2-OE1 2.88Å; R70-E97 PolarHBondContact NH2-OE1 2.75Å; R70-E97 IonicContact NH2-OE2 3.58Å
71	E	46.3	Very low	49.6	Very low	104 Å²	104	81.4 Å²	81.4	49%	0.486	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.4	-167.7	-73.2	-164.7	146	0	0	116.6	Y69 M73 I93	Y69-E71 HydrophobicContact CD1-CB 4.5Å; Y69-E71 HydrophobicContact CE1-CB 3.99Å; Y69-E71 PolarHBondContact O-N 2.81Å; Y69-E71 VanDerWaalsContact O-N 3.1Å; E71-M73 PolarHBondContact O-N 2.88Å; E71-I93 HydrophobicContact CG-CD1 4.09Å; E71-I93 VanDerWaalsContact OE1-CD1 3.25Å; E71-I93 WeakPolarHBondContact OE1-CD1 3.4Å
72	N	42.7	Very low	48.1	Very low	78 Å²	78	81.5 Å²	81.5	42%	0.417	42%	0.422	S	S	.	.			trans	-106.1	50.8	-166.7	-71.5	-5.7	0	0	0	114.6	Y69 F74	Y69-N72 HydrophobicContact CD1-CB 4.18Å; Y69-N72 HydrophobicContact CE1-CB 4.29Å; Y69-N72 VanDerWaalsContact CE1-CG 3.43Å; Y69-N72 VanDerWaalsContact CE1-ND2 3.31Å; Y69-N72 WeakPolarHBondContact CE1-ND2 3.3Å; Y69-N72 WeakPolarHBondContact CE1-OD1 3.25Å; N72-F74 HydrophobicContact CB-CE2 4.37Å
73	M	44.7	Very low	47.1	Very low	84 Å²	84	85.4 Å²	85.4	41%	0.414	44%	0.442	S	S	.	.			trans	-99.3	100.7	163.5	-63	-161.4	-40.2	0	0	110	G64 E71 L75	G64-M73 VanDerWaalsContact CA-SD 3.53Å; G64-M73 PolarHBondContact N-SD 2.82Å; E71-M73 PolarHBondContact O-N 2.88Å; M73-L75 PolarHBondContact O-N 2.81Å
74	F	45.2	Very low	45.6	Very low	80 Å²	80	83.7 Å²	83.7	35%	0.351	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.6	169.3	-60.2	-80.1	0	0	0	108.3	N72 N76 T86	N72-F74 HydrophobicContact CB-CE2 4.37Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.08Å; F74-N76 VanDerWaalsContact O-N 3.11Å; F74-T86 HydrophobicContact CD1-CG2 4.07Å
75	L	42.7	Very low	44.5	Very low	30 Å²	30	90.8 Å²	90.8	16%	0.157	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	92.1	161.1	175	57.6	0	0	0	106.8	Q61 M73 V77	Q61-L75 HydrophobicContact CB-CD1 3.93Å; Q61-L75 HydrophobicContact CG-CD1 3.4Å; M73-L75 PolarHBondContact O-N 2.81Å; L75-V77 HydrophobicContact CD1-CG2 4Å; L75-V77 HydrophobicContact CD2-CG2 4.42Å; L75-V77 HydrophobicContact CG-CG2 3.94Å
76	N	45.3	Very low	43.2	Very low	44 Å²	44	84.4 Å²	84.4	24%	0.235	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.1	172	-67.8	-25.7	0	0	0	108.3	F60 F74 F78	F60-N76 CarbonylContact C-O 3.55Å; F60-N76 VanDerWaalsContact C-O 3.31Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 3.08Å; F74-N76 VanDerWaalsContact O-N 3.11Å; N76-F78 HydrophobicContact CB-CE2 3.7Å; N76-F78 HydrophobicContact CB-CZ 3.77Å
77	V	41.4	Very low	42.2	Very low	30 Å²	30	86.7 Å²	86.7	18%	0.182	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.6	168.8	-172.6	0	0	0	0	108.3	R59 F60 L75 K85	R59-V77 HydrophobicContact CG-CG1 3.62Å; F60-V77 VanDerWaalsContact O-CA 3.25Å; F60-V77 WeakPolarHBondContact O-CA 2.99Å; L75-V77 HydrophobicContact CD1-CG2 4Å; L75-V77 HydrophobicContact CD2-CG2 4.42Å; L75-V77 HydrophobicContact CG-CG2 3.94Å; V77-K85 PolarHBondContact O-N 2.81Å; V77-K85 VanDerWaalsContact O-N 3.15Å
78	F	38.4	Very low	41	Very low	64 Å²	64	87.8 Å²	87.8	28%	0.281	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.4	171.4	-47.5	-80.8	0	0	0	109.8	S58 R59 F60 N76 I84	S58-F78 CarbonylContact C-O 3.36Å; R59-F78 WeakPolarHBondContact CA-O 3.43Å; F60-F78 HydrophobicContact CB-CD2 3.66Å; F60-F78 HydrophobicContact CB-CE2 4.45Å; F60-F78 HydrophobicContact CD2-CB 3.6Å; F60-F78 AromaticContact CD2-CD2 3.93Å; F60-F78 HydrophobicContact CD2-CD2 3.93Å; F60-F78 HydrophobicContact CD2-CG 4.25Å; F60-F78 HydrophobicContact CE2-CB 4.18Å; F60-F78 HydrophobicContact CG-CB 4.36Å; F60-F78 AromaticContact CG-CD2 3.83Å; F60-F78 HydrophobicContact CG-CD2 3.83Å; F60-F78 PolarHBondContact N-O 3Å; N76-F78 HydrophobicContact CB-CE2 3.7Å; N76-F78 HydrophobicContact CB-CZ 3.77Å; F78-I84 HydrophobicContact CD1-CB 4.31Å; F78-I84 HydrophobicContact CD1-CD1 4.44Å; F78-I84 HydrophobicContact CD1-CG1 3.78Å; F78-I84 HydrophobicContact CD1-CG2 4.22Å; F78-I84 HydrophobicContact CE1-CB 4.26Å; F78-I84 HydrophobicContact CE1-CD1 3.9Å; F78-I84 HydrophobicContact CE1-CG1 3.7Å; F78-I84 HydrophobicContact CE1-CG2 3.83Å
79	D	40.2	Very low	40.3	Very low	62 Å²	62	90 Å²	90	33%	0.332	45%	0.454	S	S	.	.			trans	-90.2	168.8	166.8	-161	-6.4	0	0	0	111.4	Y57 S58 V81 G82	Y57-D79 WeakPolarHBondContact CB-OD1 3.45Å; S58-D79 PolarHBondContact N-OD1 2.83Å; S58-D79 VanDerWaalsContact O-CA 3.3Å; S58-D79 WeakPolarHBondContact O-CA 3.43Å; D79-V81 PolarHBondContact O-N 3.2Å; D79-V81 VanDerWaalsContact O-N 3.13Å; D79-G82 PolarHBondContact O-N 3.19Å
80	V	42.5	Very low	39.9	Very low	85 Å²	85	94.2 Å²	94.2	52%	0.515	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-38.6	172.9	174.7	0	0	0	0	109.8	Y57 S58 G82	Y57-V80 VanDerWaalsContact C-CG2 3.45Å; S58-V80 WeakPolarHBondContact OG-CG2 3.31Å; V80-G82 PolarHBondContact O-N 3.32Å
81	V	42.2	Very low	39.2	Very low	109 Å²	109	96.1 Å²	96.1	66%	0.661	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.2	-176.7	-166.6	0	0	0	0	112.2	D79 N83	D79-V81 PolarHBondContact O-N 3.2Å; D79-V81 VanDerWaalsContact O-N 3.13Å; V81-N83 VanDerWaalsContact C-N 3.32Å; V81-N83 PolarHBondContact O-N 3.07Å
82	G	32	Very low	38.9	Very low	44 Å²	44	100.7 Å²	100.7	45%	0.454	50%	0.499	S	S	.	.			trans	80.8	6.9	178.4	0	0	0	0	0	114.7	D79 V80 I84	D79-G82 PolarHBondContact O-N 3.19Å; V80-G82 PolarHBondContact O-N 3.32Å; G82-I84 WeakPolarHBondContact O-CG1 3.26Å; G82-I84 PolarHBondContact O-N 3.06Å; G82-I84 VanDerWaalsContact O-N 3.16Å
83	N	39.3	Very low	38.6	Very low	107 Å²	107	101.5 Å²	101.5	57%	0.572	50%	0.503	S	S	*	.			trans	-65.3	116.8	176	-70	-34.7	0	0	0	110.2	V81	V81-N83 VanDerWaalsContact C-N 3.32Å; V81-N83 PolarHBondContact O-N 3.07Å
84	I	31.3	Very low	38.1	Very low	105 Å²	105	101.8 Å²	101.8	54%	0.538	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.1	-177.4	-44.7	-176.8	0	0	0	109.1	F78 G82 T86	F78-I84 HydrophobicContact CD1-CB 4.31Å; F78-I84 HydrophobicContact CD1-CD1 4.44Å; F78-I84 HydrophobicContact CD1-CG1 3.78Å; F78-I84 HydrophobicContact CD1-CG2 4.22Å; F78-I84 HydrophobicContact CE1-CB 4.26Å; F78-I84 HydrophobicContact CE1-CD1 3.9Å; F78-I84 HydrophobicContact CE1-CG1 3.7Å; F78-I84 HydrophobicContact CE1-CG2 3.83Å; G82-I84 WeakPolarHBondContact O-CG1 3.26Å; G82-I84 PolarHBondContact O-N 3.06Å; G82-I84 VanDerWaalsContact O-N 3.16Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.36Å
85	K	38.8	Very low	37.9	Very low	169 Å²	169	107.2 Å²	107.2	74%	0.735	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	100	163.3	-73.6	-172.9	-178.9	179.5	0	109.2	V77 T87	V77-K85 PolarHBondContact O-N 2.81Å; V77-K85 VanDerWaalsContact O-N 3.15Å; K85-T87 PolarHBondContact O-N 3.17Å
86	T	31.1	Very low	37.8	Very low	79 Å²	79	110.7 Å²	110.7	49%	0.485	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.8	97.7	177.3	-43.9	0	0	0	0	110.1	F74 I84	F74-T86 HydrophobicContact CD1-CG2 4.07Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.36Å
87	T	36	Very low	37.4	Very low	80 Å²	80	112.2 Å²	112.2	49%	0.491	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	108.7	168.6	42.4	0	0	0	0	109.7	K85 N89	K85-T87 PolarHBondContact O-N 3.17Å; T87-N89 PolarHBondContact O-N 2.84Å
88	R	32.6	Very low	37.3	Very low	154 Å²	154	119.3 Å²	119.3	58%	0.581	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.6	106.1	175.4	-168.3	-173	-73.2	-165.2	1.2	109.4	K90	R88-K90 HydrophobicContact CG-CG 4.39Å; R88-K90 PolarHBondContact O-N 3.44Å
89	N	36.5	Very low	37.2	Very low	122 Å²	122	123.8 Å²	123.8	65%	0.652	62%	0.621	S	S	*	*			trans	-72.1	89.5	171.2	-86.7	-19.6	0	0	0	109.9	T87 R91	T87-N89 PolarHBondContact O-N 2.84Å; N89-R91 VanDerWaalsContact C-N 3.34Å; N89-R91 PolarHBondContact O-N 3.1Å
90	K	39	Very low	37	Very low	170 Å²	170	123.6 Å²	123.6	74%	0.739	63%	0.633	S	S	*	*			trans	-72.6	88.3	168.2	-64.8	-175.8	-176.9	179.2	0	108.6	R88 K92	R88-K90 HydrophobicContact CG-CG 4.39Å; R88-K90 PolarHBondContact O-N 3.44Å; K90-K92 PolarHBondContact O-N 3.25Å
91	R	36.1	Very low	36.4	Very low	218 Å²	218	131.2 Å²	131.2	82%	0.823	65%	0.652	S	S	*	*			trans	-63.3	119.7	162.5	-74.8	-174.1	176.2	-179.3	-1.9	107	N89 I93	N89-R91 VanDerWaalsContact C-N 3.34Å; N89-R91 PolarHBondContact O-N 3.1Å; R91-I93 PolarHBondContact O-N 3.19Å; R91-I93 VanDerWaalsContact O-N 3.08Å
92	K	38	Very low	35.9	Very low	201 Å²	201	136 Å²	136	87%	0.874	66%	0.66	S	S	*	*			trans	-57.7	114.1	173.1	-70.8	-179.2	178.5	179.1	0	107.8	K90 T94	K90-K92 PolarHBondContact O-N 3.25Å; K92-T94 PolarHBondContact O-N 2.81Å
93	I	37.1	Very low	35.8	Very low	94 Å²	94	141.1 Å²	141.1	48%	0.482	68%	0.675	S	S	.	*			trans	-60.3	118.1	173.6	-62.3	170.2	0	0	0	107.4	E71 R91 E97	E71-I93 HydrophobicContact CG-CD1 4.09Å; E71-I93 VanDerWaalsContact OE1-CD1 3.25Å; E71-I93 WeakPolarHBondContact OE1-CD1 3.4Å; R91-I93 PolarHBondContact O-N 3.19Å; R91-I93 VanDerWaalsContact O-N 3.08Å; I93-E97 HydrophobicContact CG2-CB 4.32Å
94	T	33.8	Very low	35.5	Very low	91 Å²	91	144.7 Å²	144.7	56%	0.558	69%	0.686	S	S	*	*			trans	-69.9	141.6	172.2	42.5	0	0	0	0	109.6	K92 S96 E97	K92-T94 PolarHBondContact O-N 2.81Å; T94-S96 PolarHBondContact O-N 2.69Å; T94-E97 PolarHBondContact O-N 2.79Å
95	K	42.3	Very low	35.5	Very low	194 Å²	194	147.5 Å²	147.5	84%	0.843	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-54.8	-18.4	-168.9	-69.8	179.9	178.5	178.6	0	115.5	E97	K95-E97 PolarHBondContact O-N 3.36Å
96	S	41	Very low	35.2	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-66.8	-13.4	-177.5	59.5	0	0	0	0	114.7	T94	T94-S96 PolarHBondContact O-N 2.69Å
97	E	36.4	Very low	35.4	Very low	76 Å²	76	150.6 Å²	150.6	36%	0.355	71%	0.71	S	S	.	*	G	3₁₀ helix	trans	-101.3	7.3	-171	-62.3	-172.2	164.8	0	0	114.8	R70 I93 T94 K95 N99	R70-E97 WeakPolarHBondContact CD-OE2 3.45Å; R70-E97 VanDerWaalsContact CZ-CD 3.43Å; R70-E97 IonicContact CZ-OE1 3.94Å; R70-E97 IonicContact CZ-OE2 2.91Å; R70-E97 VanDerWaalsContact CZ-OE2 3.23Å; R70-E97 IonicContact NE-OE1 2.75Å; R70-E97 IonicContact NE-OE2 3.9Å; R70-E97 IonicContact NH1-OE1 3.23Å; R70-E97 PolarHBondContact NH1-OE1 3.4Å; R70-E97 IonicContact NH1-OE2 2.56Å; R70-E97 PolarHBondContact NH1-OE2 2.56Å; R70-E97 IonicContact NH2-OE1 2.88Å; R70-E97 PolarHBondContact NH2-OE1 2.75Å; R70-E97 IonicContact NH2-OE2 3.58Å; I93-E97 HydrophobicContact CG2-CB 4.32Å; T94-E97 PolarHBondContact O-N 2.79Å; K95-E97 PolarHBondContact O-N 3.36Å; E97-N99 PolarHBondContact O-N 2.9Å
98	K	39.4	Very low	35.2	Very low	180 Å²	180	155.3 Å²	155.3	78%	0.783	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-5.2	-177	-86.9	-169.3	174.3	-172.3	0	116	G100	K98-G100 PolarHBondContact O-N 3.1Å
99	N	35.4	Very low	35.1	Very low	158 Å²	158	155.2 Å²	155.2	85%	0.845	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	12.2	-172.5	-74.4	7.4	0	0	0	115.6	E97 R101	E97-N99 PolarHBondContact O-N 2.9Å; N99-R101 PolarHBondContact O-N 3.22Å
100	G	35.4	Very low	34.9	Very low	57 Å²	57	156.2 Å²	156.2	59%	0.588	75%	0.745	S	S	*	*			trans	-76	108.4	173	0	0	0	0	0	112.2	K98 Y102	K98-G100 PolarHBondContact O-N 3.1Å; G100-Y102 PolarHBondContact O-N 2.88Å
101	R	29.9	Very low	34.5	Very low	246 Å²	246	159.2 Å²	159.2	93%	0.928	75%	0.752	S	S	*	*			trans	-53.5	120.4	173.7	-69.5	-179.3	-179.4	-177.5	-0.3	110.5	N99	N99-R101 PolarHBondContact O-N 3.22Å
102	Y	32.4	Very low	34.3	Very low	209 Å²	209	154.8 Å²	154.8	82%	0.82	75%	0.745	S	S	*	*			trans	-71.8	124.2	-178.2	-105.4	-105.8	0	0	0	111.4	G100	G100-Y102 PolarHBondContact O-N 2.88Å
103	I	30.7	Very low	33.9	Very low	151 Å²	151	150 Å²	150	77%	0.774	74%	0.736	S	S	*	*			trans	-105.4	102.6	158.5	-56.5	177.5	0	0	0	106.8	K105	I103-K105 PolarHBondContact O-N 3.25Å
104	K	31.9	Very low	33.8	Very low	182 Å²	182	152.9 Å²	152.9	79%	0.791	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-68.2	120.7	167	-78.7	-179	176.1	179.5	0	107.3
105	K	32.5	Very low	33.8	Very low	164 Å²	164	154.1 Å²	154.1	71%	0.713	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-98.4	128.5	160	-75.5	-169.7	176.2	-174.8	0	107.5	I103 H107	I103-K105 PolarHBondContact O-N 3.25Å; K105-H107 PolarHBondContact O-N 3.11Å
106	D	30.8	Very low	33.2	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.6	118.3	177.1	-62.8	-47.9	0	0	0	109.5	M108	D106-M108 PolarHBondContact O-N 3.2Å; D106-M108 VanDerWaalsContact O-N 3.11Å
107	H	35.5	Very low	33.1	Very low	160 Å²	160	153 Å²	153	74%	0.741	75%	0.754	S	S	*	*			trans	-71.6	102.2	174.1	-90.5	-78.9	0	0	0	108.1	K105 N109	K105-H107 PolarHBondContact O-N 3.11Å; H107-N109 PolarHBondContact O-N 3.13Å
108	M	32.3	Very low	33	Very low	180 Å²	180	156.7 Å²	156.7	89%	0.887	78%	0.776	S	S	*	*			trans	-59.1	123.6	160.9	-76.8	-109	154.7	0	0	108.3	D106 N110	D106-M108 PolarHBondContact O-N 3.2Å; D106-M108 VanDerWaalsContact O-N 3.11Å; M108-N110 PolarHBondContact O-N 3Å
109	N	31.2	Very low	32.8	Very low	152 Å²	152	156 Å²	156	81%	0.813	78%	0.776	S	S	*	*			trans	-65.4	91.4	-171.5	-63.9	-54.9	0	0	0	112.2	H107 R111	H107-N109 PolarHBondContact O-N 3.13Å; N109-R111 PolarHBondContact O-N 2.81Å
110	N	32.9	Very low	32.6	Very low	142 Å²	142	157.6 Å²	157.6	76%	0.759	78%	0.775	S	S	*	*			trans	-81	94.1	159.4	-104.6	27.1	0	0	0	108.6	M108 D112	M108-N110 PolarHBondContact O-N 3Å; N110-D112 VanDerWaalsContact C-N 3.28Å; N110-D112 PolarHBondContact O-N 2.72Å
111	R	28.9	Very low	32.8	Very low	234 Å²	234	159.1 Å²	159.1	88%	0.883	78%	0.775	S	S	*	*			trans	-87.1	65.9	178.6	-153.9	-178.6	-161.9	-177.4	4	108.7	N109 S113	N109-R111 PolarHBondContact O-N 2.81Å; R111-S113 PolarHBondContact O-N 3.15Å; R111-S113 VanDerWaalsContact O-N 3.11Å
112	D	33.1	Very low	33	Very low	125 Å²	125	156.6 Å²	156.6	67%	0.668	77%	0.773	S	S	*	*			trans	-83.2	85.8	173.7	-65.1	-34	0	0	0	108.7	N110 N114	N110-D112 VanDerWaalsContact C-N 3.28Å; N110-D112 PolarHBondContact O-N 2.72Å; D112-N114 PolarHBondContact O-N 3.04Å
113	S	29.9	Very low	32.9	Very low	99 Å²	99	156.4 Å²	156.4	69%	0.692	77%	0.773	S	S	*	*			trans	-69.6	92	173.4	57.8	0	0	0	0	110.3	R111 T115	R111-S113 PolarHBondContact O-N 3.15Å; R111-S113 VanDerWaalsContact O-N 3.11Å; S113-T115 PolarHBondContact O-N 2.81Å
114	N	35.1	Very low	33.2	Very low	156 Å²	156	154.2 Å²	154.2	83%	0.834	77%	0.771	S	S	*	*			trans	-85.4	96.8	164	-80.2	-26.6	0	0	0	108.8	D112 N116	D112-N114 PolarHBondContact O-N 3.04Å; N114-N116 PolarHBondContact O-N 2.6Å
115	T	32.7	Very low	33.2	Very low	116 Å²	116	155.4 Å²	155.4	71%	0.712	78%	0.776	S	S	*	*			trans	-57.4	119.8	172.9	-44	0	0	0	0	109.3	S113 I117	S113-T115 PolarHBondContact O-N 2.81Å; T115-I117 HydrophobicContact CG2-CG1 4.28Å; T115-I117 PolarHBondContact O-N 3.37Å
116	N	29.3	Very low	33.3	Very low	148 Å²	148	151.6 Å²	151.6	79%	0.791	77%	0.77	S	S	*	*			trans	-82.4	89	-176.7	-145.5	-13.9	0	0	0	108.3	N114	N114-N116 PolarHBondContact O-N 2.6Å
117	I	38.4	Very low	33.4	Very low	125 Å²	125	149.4 Å²	149.4	64%	0.641	76%	0.764	S	S	*	*			trans	-95	111.4	175	-36.1	178.2	0	0	0	107.1	T115 E119	T115-I117 HydrophobicContact CG2-CG1 4.28Å; T115-I117 PolarHBondContact O-N 3.37Å; I117-E119 PolarHBondContact O-N 3.23Å
118	N	35.9	Very low	33.3	Very low	153 Å²	153	148 Å²	148	82%	0.818	77%	0.766	S	S	*	*			trans	-65.8	62.9	178.9	-70.2	-57.1	0	0	0	112.2	K120	N118-K120 PolarHBondContact O-N 2.9Å
119	E	33.7	Very low	33.3	Very low	165 Å²	165	148.1 Å²	148.1	77%	0.771	76%	0.762	S	S	*	*			trans	-76.9	97.3	170.6	-74.3	-175.6	-178.4	0	0	108.9	I117 P121	I117-E119 PolarHBondContact O-N 3.23Å; E119-P121 WeakPolarHBondContact O-CD 3.31Å
120	K	32.1	Very low	33.3	Very low	193 Å²	193	150 Å²	150	84%	0.839	77%	0.766	S	S	*	*			trans	-56.2	121.3	167.7	-139	-178.9	-173.3	-177.8	0	107	N118 E122	N118-K120 PolarHBondContact O-N 2.9Å; K120-E122 PolarHBondContact O-N 3.1Å; K120-E122 VanDerWaalsContact O-N 3.1Å
121	P	40	Very low	33	Very low	88 Å²	88	146.1 Å²	146.1	57%	0.571	76%	0.759	S	S	*	*			trans	-64.4	117.5	179.1	22.5	-29.9	0	0	0	109.4	E119 Y123	E119-P121 WeakPolarHBondContact O-CD 3.31Å; P121-Y123 HydrophobicContact CG-CE2 4.18Å; P121-Y123 VanDerWaalsContact O-CD2 3.29Å; P121-Y123 WeakPolarHBondContact O-CD2 3.24Å; P121-Y123 PolarHBondContact O-N 3.19Å; P121-Y123 VanDerWaalsContact O-N 3.12Å
122	E	34.6	Very low	32.9	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	75%	0.75	S	S	*	*			trans	-65.9	106.1	165.7	-86.1	-174.1	156.9	0	0	108.4	K120 S124	K120-E122 PolarHBondContact O-N 3.1Å; K120-E122 VanDerWaalsContact O-N 3.1Å; E122-S124 PolarHBondContact O-N 3.4Å
123	Y	30.4	Very low	32.8	Very low	206 Å²	206	143.6 Å²	143.6	81%	0.808	76%	0.763	S	S	*	*			trans	-70.7	97.4	173.2	-70.2	-90.2	0	0	0	109	P121 K125	P121-Y123 HydrophobicContact CG-CE2 4.18Å; P121-Y123 VanDerWaalsContact O-CD2 3.29Å; P121-Y123 WeakPolarHBondContact O-CD2 3.24Å; P121-Y123 PolarHBondContact O-N 3.19Å; P121-Y123 VanDerWaalsContact O-N 3.12Å; Y123-K125 PolarHBondContact O-N 3.16Å
124	S	35.7	Very low	32.7	Very low	104 Å²	104	150 Å²	150	73%	0.727	77%	0.772	S	S	*	*			trans	-68.8	122.5	165.2	85.8	0	0	0	0	108.4	E122 S126	E122-S124 PolarHBondContact O-N 3.4Å; S124-S126 VanDerWaalsContact C-N 3.25Å; S124-S126 PolarHBondContact O-N 3.19Å
125	K	32.6	Very low	32.5	Very low	208 Å²	208	146.9 Å²	146.9	90%	0.904	76%	0.762	S	S	*	*			trans	-68.8	84.5	172.1	-68.8	175.9	-179.6	175.5	0	107.5	Y123	Y123-K125 PolarHBondContact O-N 3.16Å
126	S	33.7	Very low	32.6	Very low	83 Å²	83	148.4 Å²	148.4	58%	0.58	77%	0.766	S	S	*	*			trans	-73.9	129.6	174.9	68	0	0	0	0	109.7	S124 V128	S124-S126 VanDerWaalsContact C-N 3.25Å; S124-S126 PolarHBondContact O-N 3.19Å; S126-V128 PolarHBondContact O-N 3.21Å
127	P	33.4	Very low	32.5	Very low	107 Å²	107	149 Å²	149	70%	0.695	76%	0.764	S	S	*	*			trans	-68.4	133.6	-178.1	26.3	-31.5	0	0	0	110.2	F129	P127-F129 PolarHBondContact O-N 3.01Å
128	V	33.3	Very low	32.3	Very low	131 Å²	131	149.8 Å²	149.8	79%	0.794	76%	0.762	S	S	*	*			trans	4.6	90.4	156.6	-171.5	0	0	0	0	113.1	S126 Q130	S126-V128 PolarHBondContact O-N 3.21Å; V128-Q130 PolarHBondContact O-N 2.92Å
129	F	32.9	Very low	31.9	Very low	183 Å²	183	149.4 Å²	149.4	80%	0.803	76%	0.76	S	S	*	*			trans	-70.1	90.1	170	-99.8	-88	0	0	0	108.9	P127 G131	P127-F129 PolarHBondContact O-N 3.01Å; F129-G131 VanDerWaalsContact C-N 3.32Å; F129-G131 PolarHBondContact O-N 3.35Å
130	Q	29.9	Very low	31.9	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	76%	0.756	S	S	*	*			trans	-78.7	82.4	165.2	-158.9	171.5	20.1	0	0	106.5	V128	V128-Q130 PolarHBondContact O-N 2.92Å
131	G	27.8	Very low	31.6	Very low	60 Å²	60	145.6 Å²	145.6	62%	0.619	75%	0.752	S	S	*	*			trans	-175.6	122.4	-176.8	0	0	0	0	0	111.1	F129	F129-G131 VanDerWaalsContact C-N 3.32Å; F129-G131 PolarHBondContact O-N 3.35Å
132	G	26	Very low	31.2	Very low	66 Å²	66	145.8 Å²	145.8	68%	0.68	75%	0.751	S	S	*	*			trans	-55	158.2	-168.3	0	0	0	0	0	115.2	R134	G132-R134 PolarHBondContact O-N 2.74Å
133	Y	31.3	Very low	30.8	Very low	240 Å²	240	144.2 Å²	144.2	94%	0.941	75%	0.749	S	S	*	*			trans	-20	101.6	166.4	-54.1	-90.5	0	0	0	113.3	S135	Y133-S135 PolarHBondContact O-N 3Å; Y133-S135 VanDerWaalsContact O-N 3.15Å
134	R	27.9	Very low	30.7	Very low	233 Å²	233	144.2 Å²	144.2	88%	0.879	75%	0.749	S	S	*	*			trans	-72.6	105.7	160	-76.5	-171.4	176	-152.7	-0.9	106.6	G132 L136	G132-R134 PolarHBondContact O-N 2.74Å; R134-L136 PolarHBondContact O-N 2.99Å
135	S	30.4	Very low	30.2	Very low	92 Å²	92	142.6 Å²	142.6	64%	0.643	75%	0.749	S	S	*	*			trans	-49.4	121.6	162.7	43.5	0	0	0	0	107.6	Y133 E137	Y133-S135 PolarHBondContact O-N 3Å; Y133-S135 VanDerWaalsContact O-N 3.15Å; S135-E137 PolarHBondContact O-N 3.05Å
136	L	36.5	Very low	29.7	Very low	148 Å²	148	141 Å²	141	78%	0.775	75%	0.751	S	S	*	*			trans	-71.8	82.3	170.2	-75.9	165.5	0	0	0	107.2	R134 K138	R134-L136 PolarHBondContact O-N 2.99Å; L136-K138 PolarHBondContact O-N 3.09Å
137	E	25.5	Very low	29.6	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	75%	0.753	S	S	*	*			trans	-66.2	74.4	157	-73.2	-178.7	179.8	0	0	107.5	S135 N139	S135-E137 PolarHBondContact O-N 3.05Å; E137-N139 PolarHBondContact O-N 2.73Å; E137-N139 VanDerWaalsContact O-N 3.13Å
138	K	35.3	Very low	29.3	Very low	140 Å²	140	141.9 Å²	141.9	61%	0.609	76%	0.759	S	S	*	*			trans	-78.3	97	167.2	-85.9	-172.1	176.1	-175.2	0	107.2	L136 F140	L136-K138 PolarHBondContact O-N 3.09Å; K138-F140 HydrophobicContact CB-CD2 3.79Å; K138-F140 HydrophobicContact CB-CE2 3.63Å; K138-F140 HydrophobicContact CB-CZ 4.47Å; K138-F140 HydrophobicContact CD-CE2 3.96Å; K138-F140 HydrophobicContact CD-CZ 4.06Å; K138-F140 HydrophobicContact CG-CE2 4.44Å; K138-F140 WeakPolarHBondContact O-CD2 3.47Å; K138-F140 PolarHBondContact O-N 3.24Å
139	N	27.4	Very low	28.9	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	76%	0.763	S	S	*	*			trans	-50.3	86.7	153.6	-66.7	-52.9	0	0	0	108.9	E137 T141	E137-N139 PolarHBondContact O-N 2.73Å; E137-N139 VanDerWaalsContact O-N 3.13Å; N139-T141 VanDerWaalsContact C-N 3.34Å; N139-T141 PolarHBondContact O-N 2.97Å
140	F	33.7	Very low	28.6	Very low	155 Å²	155	139.4 Å²	139.4	68%	0.68	76%	0.764	S	S	*	*			trans	-80	88	167	-82.8	-81.9	0	0	0	107.4	K138 T142	K138-F140 HydrophobicContact CB-CD2 3.79Å; K138-F140 HydrophobicContact CB-CE2 3.63Å; K138-F140 HydrophobicContact CB-CZ 4.47Å; K138-F140 HydrophobicContact CD-CE2 3.96Å; K138-F140 HydrophobicContact CD-CZ 4.06Å; K138-F140 HydrophobicContact CG-CE2 4.44Å; K138-F140 WeakPolarHBondContact O-CD2 3.47Å; K138-F140 PolarHBondContact O-N 3.24Å; F140-T142 HydrophobicContact CB-CG2 4.41Å; F140-T142 PolarHBondContact O-N 2.83Å
141	T	24.5	Very low	28.4	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	76%	0.757	S	S	*	*			trans	-74.1	81.6	160.1	48.9	0	0	0	0	107.8	N139 N143	N139-T141 VanDerWaalsContact C-N 3.34Å; N139-T141 PolarHBondContact O-N 2.97Å; T141-N143 PolarHBondContact O-N 2.84Å; T141-N143 VanDerWaalsContact O-N 3.13Å
142	T	32.3	Very low	28.3	Very low	91 Å²	91	139.4 Å²	139.4	56%	0.558	76%	0.763	S	S	*	*			trans	-76.4	93	172.6	38.8	0	0	0	0	109.4	F140 Y144	F140-T142 HydrophobicContact CB-CG2 4.41Å; F140-T142 PolarHBondContact O-N 2.83Å; T142-Y144 HydrophobicContact CG2-CD2 3.88Å; T142-Y144 HydrophobicContact CG2-CE2 4.23Å; T142-Y144 PolarHBondContact O-N 3.01Å
143	N	25.5	Very low	28.2	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	77%	0.766	S	S	*	*			trans	-71.7	67	159.4	-71.7	-31.2	0	0	0	108.9	T141	T141-N143 PolarHBondContact O-N 2.84Å; T141-N143 VanDerWaalsContact O-N 3.13Å
144	Y	29.6	Very low	28.1	Very low	206 Å²	206	138.7 Å²	138.7	81%	0.808	77%	0.765	S	S	*	*			trans	-107.1	112.4	170.7	-81.6	-81.6	0	0	0	108.3	T142	T142-Y144 HydrophobicContact CG2-CD2 3.88Å; T142-Y144 HydrophobicContact CG2-CE2 4.23Å; T142-Y144 PolarHBondContact O-N 3.01Å
145	G	23.8	Very low	28.3	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	76%	0.76	S	S	*	*			trans	-52.8	143.3	179.7	0	0	0	0	0	112.7	S147	G145-S147 PolarHBondContact O-N 3.38Å
146	N	24	Very low	28.2	Very low	174 Å²	174	131.4 Å²	131.4	93%	0.93	76%	0.76	S	S	*	*			trans	-40.4	114.8	175	-61.7	-29.4	0	0	0	112.8
147	S	30.7	Very low	28.1	Very low	90 Å²	90	134.2 Å²	134.2	63%	0.629	77%	0.765	S	S	*	*			trans	-142.1	100.6	151	71.6	0	0	0	0	110.5	G145	G145-S147 PolarHBondContact O-N 3.38Å
148	S	26.3	Very low	28.4	Very low	118 Å²	118	134 Å²	134	83%	0.825	77%	0.765	S	S	*	*			trans	31.6	101.7	154.8	38.6	0	0	0	0	119.5	A150	S148-A150 PolarHBondContact O-N 3.3Å
149	N	25.9	Very low	28.2	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	78%	0.778	S	S	*	*			trans	-40.2	121.1	164.4	-57.2	-28.1	0	0	0	114.5
150	A	25.8	Very low	28.6	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	77%	0.774	S	S	*	*			trans	-115.6	84.4	151.3	0	0	0	0	0	107.5	S148	S148-A150 PolarHBondContact O-N 3.3Å
151	S	25.9	Very low	28.7	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71	122.6	174.2	38.1	0	0	0	0	110.1
152	I	25.2	Very low	28.9	Very low	144 Å²	144	139 Å²	139	74%	0.738	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.3	118.9	170.4	-54.3	171.5	0	0	0	107.1	L154	I152-L154 PolarHBondContact O-N 3.3Å
153	P	24.1	Very low	28.8	Very low	115 Å²	115	141.5 Å²	141.5	75%	0.747	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.7	116.1	179.6	24.6	-30.6	0	0	0	111	S155	P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 3.11Å; P153-S155 VanDerWaalsContact O-N 3.16Å
154	L	30.3	Very low	28.9	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	82%	0.818	S	S	*	*			trans	-83.4	67.8	169.4	-69.3	163.9	0	0	0	109.3	I152 G156	I152-L154 PolarHBondContact O-N 3.3Å; L154-G156 VanDerWaalsContact C-N 3.32Å; L154-G156 PolarHBondContact O-N 3.26Å; L154-G156 VanDerWaalsContact O-N 3.1Å
155	S	30.8	Very low	28.9	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	82%	0.819	S	S	*	*			trans	-81.9	88.2	168.1	-176.4	0	0	0	0	108.7	P153	P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 3.11Å; P153-S155 VanDerWaalsContact O-N 3.16Å
156	G	29.7	Very low	29.2	Very low	62 Å²	62	140.8 Å²	140.8	64%	0.639	82%	0.824	S	S	*	*			trans	-63.9	137.9	165.2	0	0	0	0	0	110.2	L154 Q158	L154-G156 VanDerWaalsContact C-N 3.32Å; L154-G156 PolarHBondContact O-N 3.26Å; L154-G156 VanDerWaalsContact O-N 3.1Å; G156-Q158 PolarHBondContact O-N 3.22Å
157	K	33.5	Very low	29.6	Very low	206 Å²	206	138.5 Å²	138.5	90%	0.896	82%	0.817	S	S	*	*			trans	-37.6	117.3	177.8	-64.3	174.7	176.2	-176.8	0	112	S159	K157-S159 PolarHBondContact O-N 3.41Å; K157-S159 VanDerWaalsContact O-N 3.1Å
158	Q	33.1	Very low	29.5	Very low	158 Å²	158	142 Å²	142	74%	0.738	83%	0.83	S	S	*	*			trans	-62.3	107.1	164.9	-75	174.9	-32	0	0	108.2	G156 Q160	G156-Q158 PolarHBondContact O-N 3.22Å; Q158-Q160 PolarHBondContact O-N 3.49Å
159	S	30.6	Very low	29.7	Very low	126 Å²	126	143.8 Å²	143.8	88%	0.881	83%	0.831	S	S	*	*			trans	-70.2	103.4	155.2	-76	0	0	0	0	106.9	K157	K157-S159 PolarHBondContact O-N 3.41Å; K157-S159 VanDerWaalsContact O-N 3.1Å
160	Q	36	Very low	30.1	Very low	151 Å²	151	142.2 Å²	142.2	71%	0.706	83%	0.827	S	S	*	*			trans	-118.3	112.5	163.5	-75.6	-175.4	-7.7	0	0	107.1	Q158	Q158-Q160 PolarHBondContact O-N 3.49Å
161	L	35.7	Very low	30.4	Very low	252 Å²	252	146.1 Å²	146.1	100%	1.319	83%	0.828	S	S	*	*			trans	46.1	0	151.4	-69.9	155.8	0	0	0	118

Retrieved 161 of 161 residues in 206.3 ms (Link to these results)

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