G4LX21_SCHMA Loading...

IRS-type PTB domain-containing protein

AlphaFold DB , UniProt , Accession G4LX21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 312 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	39.7	Very low	46.9	Very low	240 Å²	240	158.2 Å²	158.2	100%	1.182	84%	0.841	S	S	*	*				0	142.4	0	-74.7	-85.4	-141.8	0	0	108.1
2	P	49.9	Very low	46.8	Very low	106 Å²	106	159 Å²	159	69%	0.688	85%	0.845	S	S	*	*				-117.6	-179.2	-124.5	31.4	-16	0	0	0	115.1
3	L	49	Very low	46.6	Very low	177 Å²	177	164.2 Å²	164.2	93%	0.927	85%	0.846	S	S	*	*			trans	111.5	123.9	149.9	-59.2	166	0	0	0	117
4	G	45.1	Very low	46.5	Very low	70 Å²	70	161 Å²	161	72%	0.722	84%	0.837	S	S	*	*			trans	149.4	65.3	162.5	0	0	0	0	0	114.1
5	R	51.6	Low	46	Very low	250 Å²	250	156.7 Å²	156.7	94%	0.943	83%	0.834	S	S	*	*				50.2	112.6	111	-68	-174.2	176.5	-172.2	0.1	116.3
6	S	50.8	Low	45.9	Very low	129 Å²	129	158.1 Å²	158.1	90%	0.902	83%	0.831	S	S	*	*				-173.3	140.8	112.5	-168.5	0	0	0	0	110.8
7	N	42.3	Very low	45.7	Very low	146 Å²	146	153.8 Å²	153.8	78%	0.781	82%	0.817	S	S	*	*			trans	-130.8	159.3	-167.8	-156.1	-1.5	0	0	0	107.7
8	K	51.2	Low	45.5	Very low	178 Å²	178	155.3 Å²	155.3	77%	0.774	83%	0.825	S	S	*	*			trans	102.5	118.4	162.8	-59.4	174.2	177.2	-179.4	0	118.2
9	N	45.2	Very low	45.1	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	81%	0.811	S	S	*	*			trans	150.9	75.9	137	-73.5	-9.1	0	0	0	107.2
10	Q	48.7	Very low	44.7	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	81%	0.814	S	S	*	*				40.4	105.1	80.1	-93.8	-170.1	14.6	0	0	114.6
11	T	42.4	Very low	44.5	Very low	108 Å²	108	150 Å²	150	66%	0.663	81%	0.813	S	S	*	*			trans	69.2	98.6	131.3	-30.4	0	0	0	0	117.8
12	L	45.2	Very low	44.9	Very low	168 Å²	168	147.3 Å²	147.3	88%	0.88	80%	0.798	S	S	*	*			trans	-138.3	92.2	143	-98.8	156.8	0	0	0	108.8	T14	L12-T14 PolarHBondContact O-N 3.47Å; L12-T14 VanDerWaalsContact O-N 3.13Å
13	R	45.2	Very low	45.2	Very low	227 Å²	227	150.8 Å²	150.8	86%	0.857	80%	0.804	S	S	*	*			trans	-58.2	105.6	159.1	-70.4	176.1	170.5	-177.7	-3.9	107.2	A15	R13-A15 PolarHBondContact O-N 3.37Å
14	T	44.2	Very low	46.3	Very low	119 Å²	119	147.9 Å²	147.9	73%	0.73	79%	0.786	S	S	*	*			trans	-74.6	82.9	162.8	43.8	0	0	0	0	108.5	L12 K16	L12-T14 PolarHBondContact O-N 3.47Å; L12-T14 VanDerWaalsContact O-N 3.13Å; T14-K16 PolarHBondContact O-N 3.41Å
15	A	39.4	Very low	48.3	Very low	96 Å²	96	150.2 Å²	150.2	79%	0.793	78%	0.778	S	S	*	*			trans	-66	90.6	153.2	0	0	0	0	0	106.9	R13 S17	R13-A15 PolarHBondContact O-N 3.37Å; A15-S17 PolarHBondContact O-N 3.12Å
16	K	45.1	Very low	50.1	Low	180 Å²	180	143.1 Å²	143.1	78%	0.783	76%	0.755	S	S	*	*			trans	-72.7	86.7	168.5	-79.8	-175.9	176.1	178	0	108.2	T14 D18	T14-K16 PolarHBondContact O-N 3.41Å; K16-D18 PolarHBondContact O-N 3.44Å
17	S	41.3	Very low	51.9	Low	85 Å²	85	137.8 Å²	137.8	59%	0.594	72%	0.716	S	S	*	*			trans	28.8	94.4	136	58.6	0	0	0	0	116.3	A15 S19	A15-S17 PolarHBondContact O-N 3.12Å; S17-S19 PolarHBondContact O-N 3.13Å
18	D	43.4	Very low	54	Low	180 Å²	180	136.4 Å²	136.4	96%	0.963	72%	0.715	S	S	*	*	S	Bend	trans	-67.7	52.5	158.6	-89.5	-40.8	0	0	0	111.6	K16	K16-D18 PolarHBondContact O-N 3.44Å
19	S	38.2	Very low	55.8	Low	80 Å²	80	135.5 Å²	135.5	56%	0.559	71%	0.711	S	S	*	*			trans	-137.3	45.3	177.7	59.4	0	0	0	0	111.3	S17 L21	S17-S19 PolarHBondContact O-N 3.13Å; S19-L21 PolarHBondContact O-N 3.27Å
20	S	36.6	Very low	57.8	Low	123 Å²	123	130.6 Å²	130.6	86%	0.86	69%	0.687	S	S	*	*			trans	-75.5	70.6	162.7	64.2	0	0	0	0	109.7	Q22	S20-Q22 PolarHBondContact O-N 3.12Å
21	L	40.1	Very low	59.8	Low	153 Å²	153	128.1 Å²	128.1	80%	0.801	68%	0.679	S	S	*	*			trans	-56.8	105.9	161.2	-82.5	157.1	0	0	0	107.7	S19 Q23	S19-L21 PolarHBondContact O-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.03Å
22	Q	47	Very low	62.1	Low	183 Å²	183	124.5 Å²	124.5	86%	0.855	66%	0.655	S	S	*	*			trans	8.3	75.5	165.2	-67.1	177.2	-3.5	0	0	115.6	S20 Q24	S20-Q22 PolarHBondContact O-N 3.12Å; Q22-Q24 PolarHBondContact O-N 3.42Å
23	Q	56.3	Low	64.4	Low	178 Å²	178	119.8 Å²	119.8	83%	0.832	63%	0.627	S	S	*	*			trans	-63.8	112.3	159.2	-79.9	-177	-10.6	0	0	106.5	L21 Q25	L21-Q23 PolarHBondContact O-N 3.03Å; Q23-Q25 PolarHBondContact O-N 3.05Å
24	Q	72	Confident	66.7	Low	117 Å²	117	109.9 Å²	109.9	55%	0.547	59%	0.591	S	S	.	*			trans	-55.6	115	177.3	-72.3	-178.4	-9.3	0	0	108.3	Q22 F26	Q22-Q24 PolarHBondContact O-N 3.42Å; Q24-F26 HydrophobicContact CB-CE2 4.02Å; Q24-F26 WeakPolarHBondContact O-CD2 3.42Å
25	Q	87.6	Confident	69.1	Low	118 Å²	118	107.6 Å²	107.6	55%	0.551	57%	0.574	S	S	*	*			trans	-83.2	138.2	177	-65	-176.1	11.1	0	0	108.9	Q23 I34	Q23-Q25 PolarHBondContact O-N 3.05Å; Q25-I34 HydrophobicContact CB-CB 4.4Å; Q25-I34 HydrophobicContact CB-CD1 3.79Å; Q25-I34 WeakPolarHBondContact O-CB 3.43Å; Q25-I34 PolarHBondContact O-N 3.39Å
26	F	90.3	Very high	71.8	Confident	102 Å²	102	104.5 Å²	104.5	45%	0.447	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-111.5	146.7	175	-69.6	-94.5	0	0	0	110.6	Q24 N31 Q32 K33 I34	Q24-F26 HydrophobicContact CB-CE2 4.02Å; Q24-F26 WeakPolarHBondContact O-CD2 3.42Å; F26-N31 WeakPolarHBondContact CD1-O 3.49Å; F26-Q32 CarbonylContact C-O 3.57Å; F26-Q32 WeakPolarHBondContact CA-O 3.33Å; F26-K33 HydrophobicContact CD1-CB 4.45Å; F26-K33 HydrophobicContact CE1-CB 4.12Å; F26-I34 WeakPolarHBondContact O-CD1 3.45Å
27	D	88.8	Confident	74.2	Confident	16 Å²	16	100.4 Å²	100.4	9%	0.086	52%	0.521	C	S	.	.			trans	-74.7	125.7	170.8	-176.7	80.6	0	0	0	109.5	K29 T30 N31 Q32 I34 L80	D27-K29 PolarHBondContact O-N 2.95Å; D27-K29 WeakPolarHBondContact OD2-CB 3.48Å; D27-K29 PolarHBondContact OD2-N 3.16Å; D27-T30 PolarHBondContact OD2-N 3.33Å; D27-T30 VanDerWaalsContact OD2-N 3.13Å; D27-T30 PolarHBondContact OD2-OG1 3.49Å; D27-N31 WeakPolarHBondContact O-CA 3.2Å; D27-N31 PolarHBondContact O-N 2.96Å; D27-Q32 PolarHBondContact N-O 2.99Å; D27-I34 HydrophobicContact CB-CD1 4.46Å; D27-I34 HydrophobicContact CB-CG1 4.22Å; D27-L80 HydrophobicContact CB-CD1 4.32Å; D27-L80 HydrophobicContact CB-CD2 3.76Å
28	P	86	Confident	76.8	Confident	118 Å²	118	96.8 Å²	96.8	77%	0.766	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.3	-172.8	27.1	-35.7	0	0	0	113.6
29	K	88.1	Confident	79.2	Confident	159 Å²	159	91.4 Å²	91.4	69%	0.691	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-41.4	-178.5	-65.7	-171.5	176.5	-170.2	0	112	D27	D27-K29 PolarHBondContact O-N 2.95Å; D27-K29 WeakPolarHBondContact OD2-CB 3.48Å; D27-K29 PolarHBondContact OD2-N 3.16Å
30	T	88.8	Confident	81.9	Confident	51 Å²	51	87.7 Å²	87.7	31%	0.313	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.6	-176.8	63.5	0	0	0	0	113.3	D27 Q32 L80 I85	D27-T30 PolarHBondContact OD2-N 3.33Å; D27-T30 VanDerWaalsContact OD2-N 3.13Å; D27-T30 PolarHBondContact OD2-OG1 3.49Å; T30-Q32 PolarHBondContact O-N 2.9Å; T30-Q32 VanDerWaalsContact O-N 3.14Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.25Å; T30-Q32 PolarHBondContact OG1-N 3.19Å; T30-L80 HydrophobicContact CG2-CD1 4.09Å; T30-L80 WeakPolarHBondContact OG1-CD1 3.48Å; T30-I85 HydrophobicContact CG2-CD1 4.37Å
31	N	89.8	Confident	84.6	Confident	129 Å²	129	82.9 Å²	82.9	69%	0.69	41%	0.409	S	S	*	.			trans	54.3	23.4	-170.8	-159	33.7	0	0	0	113.4	F26 D27	F26-N31 WeakPolarHBondContact CD1-O 3.49Å; D27-N31 WeakPolarHBondContact O-CA 3.2Å; D27-N31 PolarHBondContact O-N 2.96Å
32	Q	91.5	Very high	87.2	Confident	32 Å²	32	75.6 Å²	75.6	15%	0.15	37%	0.371	C	S	.	.			trans	-90	151.2	176.5	-66.6	-175.3	37.6	0	0	110.8	F26 D27 T30 I34 L80 D82	F26-Q32 CarbonylContact C-O 3.57Å; F26-Q32 WeakPolarHBondContact CA-O 3.33Å; D27-Q32 PolarHBondContact N-O 2.99Å; T30-Q32 PolarHBondContact O-N 2.9Å; T30-Q32 VanDerWaalsContact O-N 3.14Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.25Å; T30-Q32 PolarHBondContact OG1-N 3.19Å; Q32-I34 PolarHBondContact O-N 3.37Å; Q32-L80 HydrophobicContact CB-CB 4.26Å; Q32-L80 HydrophobicContact CB-CD1 4.23Å; Q32-L80 HydrophobicContact CB-CD2 4.44Å; Q32-D82 PolarHBondContact NE2-OD1 2.87Å; Q32-D82 PolarHBondContact NE2-OD2 3.08Å; Q32-D82 PolarHBondContact OE1-OD1 3.32Å
33	K	92.5	Very high	89.4	Confident	70 Å²	70	67.2 Å²	67.2	30%	0.304	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-63.3	130.9	173.4	-177.7	175.1	173.2	175.3	0	110.3	F26 I35 E81	F26-K33 HydrophobicContact CD1-CB 4.45Å; F26-K33 HydrophobicContact CE1-CB 4.12Å; K33-I35 PolarHBondContact O-N 2.77Å; K33-E81 HydrophobicContact CB-CG 4.39Å
34	I	94.9	Very high	91.2	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.097	30%	0.301	C	S	.	.			trans	-81.1	112.7	171.2	-64.2	150.7	0	0	0	107.6	Q25 F26 D27 Q32 R37 T78 L80	Q25-I34 HydrophobicContact CB-CB 4.4Å; Q25-I34 HydrophobicContact CB-CD1 3.79Å; Q25-I34 WeakPolarHBondContact O-CB 3.43Å; Q25-I34 PolarHBondContact O-N 3.39Å; F26-I34 WeakPolarHBondContact O-CD1 3.45Å; D27-I34 HydrophobicContact CB-CD1 4.46Å; D27-I34 HydrophobicContact CB-CG1 4.22Å; Q32-I34 PolarHBondContact O-N 3.37Å; I34-R37 HydrophobicContact CG2-CG 3.68Å; I34-T78 HydrophobicContact CG1-CG2 3.99Å; I34-T78 HydrophobicContact CG2-CG2 4.06Å; I34-L80 HydrophobicContact CG1-CD2 3.89Å
35	I	94.5	Very high	92.2	Very high	71 Å²	71	59.8 Å²	59.8	36%	0.364	29%	0.294	S	S	.	.			trans	-77	-45.7	178.4	-59.1	-176.6	0	0	0	109.6	K33 C79 L80 E81 V150	K33-I35 PolarHBondContact O-N 2.77Å; I35-C79 PolarHBondContact N-O 2.98Å; I35-L80 WeakPolarHBondContact CD1-O 3.34Å; I35-E81 HydrophobicContact CD1-CG 4.34Å; I35-V150 HydrophobicContact CG2-CG1 4.12Å; I35-V150 HydrophobicContact CG2-CG2 4.01Å
36	Y	95.9	Very high	92.5	Very high	30 Å²	30	55.6 Å²	55.6	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.6	-174.8	-176	-114.7	0	0	0	112	C38 C79 D143 R146 L147	Y36-C38 HydrophobicContact CE1-CB 3.92Å; Y36-C79 PolarHBondContact N-O 2.91Å; Y36-C79 PolarHBondContact O-N 2.81Å; Y36-D143 WeakPolarHBondContact OH-CA 3.47Å; Y36-D143 WeakPolarHBondContact OH-CB 3.47Å; Y36-D143 VanDerWaalsContact OH-CG 3.24Å; Y36-D143 PolarHBondContact OH-OD1 3.49Å; Y36-R146 HydrophobicContact CD1-CB 4.5Å; Y36-R146 HydrophobicContact CE1-CB 3.94Å; Y36-R146 HydrophobicContact CE2-CB 4.24Å; Y36-L147 HydrophobicContact CD1-CD2 4.07Å; Y36-L147 HydrophobicContact CE1-CD2 4.16Å; Y36-L147 HydrophobicContact CE1-CG 4.17Å
37	R	95.2	Very high	92.7	Very high	94 Å²	94	54.7 Å²	54.7	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.6	178.5	-79.6	175.9	166.4	168.9	-3.4	110.2	I34 F77 T78	I34-R37 HydrophobicContact CG2-CG 3.68Å; R37-F77 VanDerWaalsContact CA-O 3.32Å; R37-F77 WeakPolarHBondContact CA-O 3.46Å; R37-T78 HydrophobicContact CG-CG2 4.01Å
38	C	95.4	Very high	92.8	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	174.6	171.2	66.5	0	0	0	0	110.9	Y36 F77 D143	Y36-C38 HydrophobicContact CE1-CB 3.92Å; C38-F77 PolarHBondContact N-O 3.04Å; C38-F77 PolarHBondContact O-N 2.84Å; C38-D143 HydrophobicContact CB-CB 4.09Å
39	V	94.1	Very high	93	Very high	67 Å²	67	52.6 Å²	52.6	41%	0.406	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.3	175.7	179.8	0	0	0	0	108.7	Q74 V75	V39-Q74 HydrophobicContact CG1-CB 4.41Å; V39-Q74 HydrophobicContact CG1-CG 4.45Å; V39-V75 WeakPolarHBondContact CA-O 3.44Å
40	V	94.3	Very high	92.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	163.6	-178.5	-52.8	0	0	0	0	111.6	V75 F77 F119 Y136 K137	V40-V75 HydrophobicContact CG2-CB 4.08Å; V40-V75 PolarHBondContact N-O 2.86Å; V40-V75 PolarHBondContact O-N 3.2Å; V40-F77 HydrophobicContact CG1-CD2 4.37Å; V40-F77 HydrophobicContact CG1-CG 4.38Å; V40-F77 HydrophobicContact CG2-CD1 3.53Å; V40-F77 HydrophobicContact CG2-CD2 4.46Å; V40-F77 HydrophobicContact CG2-CE1 3.29Å; V40-F77 HydrophobicContact CG2-CE2 4.3Å; V40-F77 HydrophobicContact CG2-CG 4.14Å; V40-F77 HydrophobicContact CG2-CZ 3.74Å; V40-F119 HydrophobicContact CG1-CE1 4.48Å; V40-Y136 HydrophobicContact CG2-CD1 3.97Å; V40-K137 CarbonylContact C-O 3.53Å; V40-K137 VanDerWaalsContact CA-O 3.24Å; V40-K137 WeakPolarHBondContact CA-O 3.49Å; V40-K137 WeakPolarHBondContact CB-O 3.33Å
41	C	93.5	Very high	92.4	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.3	162.7	-54.6	0	0	0	0	108.5	L43 S72 H73 Y136 K137	C41-L43 HydrophobicContact CB-CD2 4.39Å; C41-S72 CarbonylContact C-O 3.53Å; C41-S72 WeakPolarHBondContact CA-O 3.41Å; C41-H73 PolarHBondContact SG-CD2 2.86Å; C41-Y136 CarbonylContact O-C 3.54Å; C41-Y136 WeakPolarHBondContact O-CA 3.28Å; C41-K137 HydrophobicContact CB-CB 4.31Å; C41-K137 PolarHBondContact N-O 2.77Å; C41-K137 PolarHBondContact O-N 3.12Å
42	A	93.9	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.1	169.6	0	0	0	0	0	108.6	A71 S72 F97 Y136	A42-A71 PolarHBondContact O-N 2.85Å; A42-S72 PolarHBondContact N-O 2.89Å; A42-S72 PolarHBondContact O-N 3.49Å; A42-F97 HydrophobicContact CB-CD2 4.4Å; A42-F97 HydrophobicContact CB-CE2 3.76Å; A42-F97 HydrophobicContact CB-CZ 3.9Å; A42-Y136 HydrophobicContact CB-CD1 3.88Å; A42-Y136 HydrophobicContact CB-CE1 3.74Å
43	L	93.6	Very high	91.3	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-67.3	-173.9	-58	-171.3	0	0	0	110.9	C41 K69 R70 A71 M118 T135 K137	C41-L43 HydrophobicContact CB-CD2 4.39Å; L43-K69 CarbonylContact O-C 3.47Å; L43-R70 CarbonylContact O-C 3.55Å; L43-R70 PolarHBondContact O-N 3Å; L43-A71 WeakPolarHBondContact O-CB 3.35Å; L43-A71 PolarHBondContact O-N 3.37Å; L43-M118 HydrophobicContact CD1-CE 4.2Å; L43-M118 HydrophobicContact CD1-SD 4.14Å; L43-T135 HydrophobicContact CD1-CG2 3.94Å; L43-T135 PolarHBondContact N-O 3.08Å; L43-K137 HydrophobicContact CD1-CB 4.41Å; L43-K137 HydrophobicContact CD2-CB 4.24Å; L43-K137 HydrophobicContact CG-CB 4.43Å
44	D	94.4	Very high	90.4	Very high	32 Å²	32	47.4 Å²	47.4	17%	0.171	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	168.7	176.1	-160	19.4	0	0	0	111.7	H66 K69 F97 T135	D44-H66 HydrophobicContact CB-CB 4.01Å; D44-H66 IonicContact OD2-CD2 2.68Å; D44-H66 IonicContact OD2-NE2 3.67Å; D44-K69 HydrophobicContact CB-CB 4.02Å; D44-K69 HydrophobicContact CB-CD 3.84Å; D44-K69 VanDerWaalsContact CG-CD 3.48Å; D44-K69 WeakPolarHBondContact OD2-CD 3.47Å; D44-K69 WeakPolarHBondContact OD2-CE 3.32Å; D44-K69 IonicContact OD2-NZ 2.71Å; D44-K69 PolarHBondContact OD2-NZ 2.85Å; D44-F97 WeakPolarHBondContact O-CE2 3.28Å; D44-F97 WeakPolarHBondContact O-CZ 3.13Å; D44-T135 PolarHBondContact O-N 3.28Å
45	R	94.2	Very high	89.6	Confident	106 Å²	106	50.5 Å²	50.5	40%	0.4	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.1	171.2	71.9	175	-176.2	-172	0.6	110.8	F97 C133 E134	R45-F97 HydrophobicContact CB-CD1 4.1Å; R45-F97 HydrophobicContact CB-CD2 4.16Å; R45-F97 HydrophobicContact CB-CE1 4.1Å; R45-F97 HydrophobicContact CB-CE2 4.17Å; R45-F97 HydrophobicContact CB-CG 4.15Å; R45-F97 HydrophobicContact CB-CZ 4.16Å; R45-F97 HydrophobicContact CG-CD1 3.83Å; R45-F97 HydrophobicContact CG-CE1 4.01Å; R45-F97 HydrophobicContact CG-CG 4.23Å; R45-F97 PolarHBondContact NH1-O 3.05Å; R45-C133 VanDerWaalsContact CA-O 3.27Å; R45-C133 WeakPolarHBondContact CA-O 3.27Å; R45-E134 HydrophobicContact CB-CG 4.08Å
46	S	93.4	Very high	88.7	Confident	31 Å²	31	52.7 Å²	52.7	22%	0.217	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	172.8	-64.9	0	0	0	0	110.5	H66 Y132 C133	S46-H66 PolarHBondContact OG-NE2 3.11Å; S46-Y132 WeakPolarHBondContact O-CA 3.26Å; S46-C133 PolarHBondContact N-O 2.93Å; S46-C133 PolarHBondContact O-N 2.76Å
47	L	93.6	Very high	87.7	Confident	83 Å²	83	56.3 Å²	56.3	44%	0.435	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.6	170.8	-171.6	70.5	0	0	0	107.9	Y127 Y132	L47-Y127 HydrophobicContact CD1-CD2 4.12Å; L47-Y127 HydrophobicContact CD2-CD2 3.74Å; L47-Y127 HydrophobicContact CD2-CE2 4.2Å; L47-Y127 HydrophobicContact CD2-CG 4.39Å; L47-Y132 HydrophobicContact CB-CD1 4.44Å; L47-Y132 HydrophobicContact CB-CE1 4.29Å; L47-Y132 HydrophobicContact CD1-CD1 3.96Å; L47-Y132 HydrophobicContact CD1-CE1 3.77Å; L47-Y132 HydrophobicContact CD1-CE2 4.46Å; L47-Y132 HydrophobicContact CD1-CG 4.38Å
48	V	92	Very high	87.2	Confident	26 Å²	26	56.5 Å²	56.5	16%	0.158	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.5	179.8	-65	0	0	0	0	109.7	S50 V53 L62 S130 S131 C133	V48-S50 PolarHBondContact O-N 3.43Å; V48-V53 HydrophobicContact CG2-CG2 3.49Å; V48-V53 VanDerWaalsContact CG2-CG2 3.49Å; V48-L62 HydrophobicContact CG1-CD2 3.93Å; V48-S130 CarbonylContact O-C 3.28Å; V48-S130 VanDerWaalsContact O-CA 3.25Å; V48-S130 WeakPolarHBondContact O-CA 3.13Å; V48-S131 WeakPolarHBondContact CG2-O 3.39Å; V48-S131 PolarHBondContact N-O 3.41Å; V48-S131 PolarHBondContact O-N 3.27Å; V48-C133 HydrophobicContact CG2-CB 4.33Å; V48-C133 WeakPolarHBondContact CG2-SG 3.34Å
49	N	88.9	Confident	86.8	Confident	64 Å²	64	56.4 Å²	56.4	34%	0.342	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.1	171.5	-176.6	-34.8	0	0	0	108.9	I51 E52 V53 Y129	N49-I51 PolarHBondContact O-N 3.13Å; N49-I51 VanDerWaalsContact O-N 3.09Å; N49-I51 WeakPolarHBondContact OD1-CB 3.4Å; N49-I51 PolarHBondContact OD1-N 3.14Å; N49-E52 HydrophobicContact CB-CB 4.34Å; N49-E52 HydrophobicContact CB-CG 3.89Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.38Å; N49-V53 PolarHBondContact O-N 2.97Å; N49-Y129 CarbonylContact C-O 3.49Å; N49-Y129 WeakPolarHBondContact CA-O 3.21Å; N49-Y129 PolarHBondContact OD1-O 2.83Å
50	S	84.1	Confident	86.5	Confident	28 Å²	28	53.2 Å²	53.2	20%	0.196	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.8	-176.9	-54.5	0	0	0	0	112.7	V48 Y129 S130 S131	V48-S50 PolarHBondContact O-N 3.43Å; S50-Y129 PolarHBondContact N-O 3.26Å; S50-Y129 PolarHBondContact OG-O 3.47Å; S50-S130 WeakPolarHBondContact OG-CA 3.19Å; S50-S130 PolarHBondContact OG-N 2.83Å; S50-S131 PolarHBondContact OG-OG 3.24Å
51	I	80.7	Confident	86.2	Confident	122 Å²	122	54.6 Å²	54.6	63%	0.626	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-39.8	175	-58.6	171.2	0	0	0	110.5	N49 V53 N54	N49-I51 PolarHBondContact O-N 3.13Å; N49-I51 VanDerWaalsContact O-N 3.09Å; N49-I51 WeakPolarHBondContact OD1-CB 3.4Å; N49-I51 PolarHBondContact OD1-N 3.14Å; I51-V53 VanDerWaalsContact C-N 3.29Å; I51-V53 PolarHBondContact O-N 2.76Å; I51-N54 PolarHBondContact O-N 2.87Å
52	E	80.2	Confident	86.1	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.318	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-74.7	-17.4	-177.8	-62.2	-177.5	143.1	0	0	113.3	N49 N54 E55 K58	N49-E52 HydrophobicContact CB-CB 4.34Å; N49-E52 HydrophobicContact CB-CG 3.89Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.38Å; E52-N54 PolarHBondContact O-N 3.41Å; E52-N54 VanDerWaalsContact O-N 3.11Å; E52-E55 WeakPolarHBondContact O-CB 3.43Å; E52-E55 PolarHBondContact O-N 2.77Å; E52-K58 HydrophobicContact CB-CD 4.26Å; E52-K58 HydrophobicContact CG-CD 4.41Å; E52-K58 IonicContact OE1-NZ 3.29Å; E52-K58 PolarHBondContact OE1-NZ 2.68Å
53	V	77.8	Confident	86	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27.7	175.7	173.7	0	0	0	0	111.5	V48 N49 I51 F110	V48-V53 HydrophobicContact CG2-CG2 3.49Å; V48-V53 VanDerWaalsContact CG2-CG2 3.49Å; N49-V53 PolarHBondContact O-N 2.97Å; I51-V53 VanDerWaalsContact C-N 3.29Å; I51-V53 PolarHBondContact O-N 2.76Å; V53-F110 HydrophobicContact CG1-CE2 3.93Å; V53-F110 HydrophobicContact CG1-CZ 3.63Å
54	N	73.8	Confident	85.9	Confident	111 Å²	111	56.4 Å²	56.4	59%	0.594	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-82.9	-10.5	177.1	-63.5	-52.6	0	0	0	113.5	I51 E52 R56	I51-N54 PolarHBondContact O-N 2.87Å; E52-N54 PolarHBondContact O-N 3.41Å; E52-N54 VanDerWaalsContact O-N 3.11Å; N54-R56 PolarHBondContact O-N 2.96Å
55	E	79.1	Confident	85.7	Confident	84 Å²	84	57.4 Å²	57.4	39%	0.393	30%	0.295	S	S	.	.			trans	-80.9	98.3	177.5	-66.4	-178.2	-152.7	0	0	110.6	E52 N57 K58 L59	E52-E55 WeakPolarHBondContact O-CB 3.43Å; E52-E55 PolarHBondContact O-N 2.77Å; E55-N57 PolarHBondContact O-N 3.04Å; E55-N57 VanDerWaalsContact O-N 3.11Å; E55-K58 HydrophobicContact CB-CB 4.36Å; E55-K58 HydrophobicContact CB-CD 4.39Å; E55-K58 HydrophobicContact CB-CG 4.43Å; E55-K58 PolarHBondContact O-N 3.02Å; E55-K58 IonicContact OE1-NZ 2.76Å; E55-K58 PolarHBondContact OE1-NZ 3.04Å; E55-K58 WeakPolarHBondContact OE2-CD 3.14Å; E55-K58 WeakPolarHBondContact OE2-CE 3.3Å; E55-K58 IonicContact OE2-NZ 3.15Å; E55-K58 PolarHBondContact OE2-NZ 2.91Å; E55-L59 PolarHBondContact O-N 2.9Å; E55-L59 VanDerWaalsContact O-N 3.1Å
56	R	74	Confident	85.7	Confident	116 Å²	116	52.3 Å²	52.3	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-50.9	-40.4	-175.6	-162.3	175.9	-162.1	-175.4	-1	113.9	N54 L59 S60 Y179	N54-R56 PolarHBondContact O-N 2.96Å; R56-L59 WeakPolarHBondContact O-CB 3.12Å; R56-L59 PolarHBondContact O-N 2.78Å; R56-S60 PolarHBondContact O-N 3.32Å; R56-S60 PolarHBondContact O-OG 3.5Å; R56-S60 VanDerWaalsContact O-OG 3.05Å; R56-Y179 PolarHBondContact NE-O 2.77Å; R56-Y179 VanDerWaalsContact NE-O 3.12Å; R56-Y179 PolarHBondContact NH2-O 2.54Å
57	N	76.5	Confident	85.6	Confident	107 Å²	107	52.8 Å²	52.8	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-66.7	-44.4	-177	-66.6	-12.5	0	0	0	112.7	E55 L59 S60 G61 I184	E55-N57 PolarHBondContact O-N 3.04Å; E55-N57 VanDerWaalsContact O-N 3.11Å; N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 2.88Å; N57-S60 PolarHBondContact O-N 2.9Å; N57-G61 PolarHBondContact O-N 3.32Å; N57-G61 VanDerWaalsContact O-N 3.15Å; N57-I184 WeakPolarHBondContact OD1-CG2 3.37Å
58	K	83.3	Confident	85.2	Confident	97 Å²	97	55.8 Å²	55.8	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-41.5	175.3	-72.6	-175.4	-177.6	155.9	0	110.4	E52 E55 G61 L62	E52-K58 HydrophobicContact CB-CD 4.26Å; E52-K58 HydrophobicContact CG-CD 4.41Å; E52-K58 IonicContact OE1-NZ 3.29Å; E52-K58 PolarHBondContact OE1-NZ 2.68Å; E55-K58 HydrophobicContact CB-CB 4.36Å; E55-K58 HydrophobicContact CB-CD 4.39Å; E55-K58 HydrophobicContact CB-CG 4.43Å; E55-K58 PolarHBondContact O-N 3.02Å; E55-K58 IonicContact OE1-NZ 2.76Å; E55-K58 PolarHBondContact OE1-NZ 3.04Å; E55-K58 WeakPolarHBondContact OE2-CD 3.14Å; E55-K58 WeakPolarHBondContact OE2-CE 3.3Å; E55-K58 IonicContact OE2-NZ 3.15Å; E55-K58 PolarHBondContact OE2-NZ 2.91Å; K58-G61 PolarHBondContact O-N 2.71Å; K58-L62 WeakPolarHBondContact O-CB 3.41Å; K58-L62 PolarHBondContact O-N 3.13Å
59	L	87	Confident	85	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-42.1	179.9	-157	71	0	0	0	112.5	E55 R56 N57 L62 F63 F110 M120 I180	E55-L59 PolarHBondContact O-N 2.9Å; E55-L59 VanDerWaalsContact O-N 3.1Å; R56-L59 WeakPolarHBondContact O-CB 3.12Å; R56-L59 PolarHBondContact O-N 2.78Å; N57-L59 VanDerWaalsContact C-N 3.3Å; N57-L59 PolarHBondContact O-N 2.88Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.28Å; L59-F63 PolarHBondContact O-N 3.31Å; L59-F110 HydrophobicContact CD1-CE2 4.21Å; L59-F110 HydrophobicContact CD1-CZ 4.4Å; L59-F110 HydrophobicContact CD2-CD1 3.52Å; L59-F110 HydrophobicContact CD2-CD2 4.01Å; L59-F110 HydrophobicContact CD2-CE1 3.35Å; L59-F110 HydrophobicContact CD2-CE2 3.85Å; L59-F110 HydrophobicContact CD2-CG 3.85Å; L59-F110 HydrophobicContact CD2-CZ 3.52Å; L59-M120 HydrophobicContact CD1-CE 3.15Å; L59-M120 HydrophobicContact CD2-CE 4.1Å; L59-M120 HydrophobicContact CG-CE 3.41Å; L59-M120 VanDerWaalsContact CG-CE 3.41Å; L59-I180 HydrophobicContact CD2-CD1 3.9Å; L59-I180 HydrophobicContact CD2-CG1 3.73Å; L59-I180 HydrophobicContact CG-CD1 4.01Å; L59-I180 HydrophobicContact CG-CG1 4.19Å
60	S	87.7	Confident	84.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-46.5	175.6	-62.5	0	0	0	0	112	R56 N57 L62 F63 I64 I180 D181	R56-S60 PolarHBondContact O-N 3.32Å; R56-S60 PolarHBondContact O-OG 3.5Å; R56-S60 VanDerWaalsContact O-OG 3.05Å; N57-S60 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 3.02Å; S60-F63 PolarHBondContact O-N 3.31Å; S60-I64 WeakPolarHBondContact O-CD1 3.44Å; S60-I64 VanDerWaalsContact O-CG1 3.28Å; S60-I64 WeakPolarHBondContact O-CG1 3.31Å; S60-I64 PolarHBondContact O-N 2.95Å; S60-I180 WeakPolarHBondContact OG-CG2 3.46Å; S60-D181 WeakPolarHBondContact CB-O 3.47Å; S60-D181 PolarHBondContact OG-O 2.83Å
61	G	88.6	Confident	84.8	Confident	30 Å²	30	64.5 Å²	64.5	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-42.5	175.8	0	0	0	0	0	112.2	N57 K58 I64 S65	N57-G61 PolarHBondContact O-N 3.32Å; N57-G61 VanDerWaalsContact O-N 3.15Å; K58-G61 PolarHBondContact O-N 2.71Å; G61-I64 PolarHBondContact O-N 2.8Å; G61-S65 WeakPolarHBondContact O-CB 3.47Å; G61-S65 PolarHBondContact O-N 3.12Å
62	L	91.6	Very high	85	Confident	28 Å²	28	58.9 Å²	58.9	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-47.6	175.7	-173.9	67.5	0	0	0	111.7	V48 K58 L59 S60 I64 S65 H66 M120 C133	V48-L62 HydrophobicContact CG1-CD2 3.93Å; K58-L62 WeakPolarHBondContact O-CB 3.41Å; K58-L62 PolarHBondContact O-N 3.13Å; L59-L62 PolarHBondContact O-N 3.32Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 3.02Å; L62-I64 PolarHBondContact O-N 2.83Å; L62-S65 WeakPolarHBondContact O-CB 3.4Å; L62-S65 PolarHBondContact O-N 2.87Å; L62-S65 VanDerWaalsContact O-N 3.11Å; L62-S65 PolarHBondContact O-OG 3.1Å; L62-H66 WeakPolarHBondContact CD1-NE2 3.39Å; L62-H66 PolarHBondContact O-CD2 2.92Å; L62-H66 PolarHBondContact O-N 2.98Å; L62-M120 HydrophobicContact CD2-SD 4.47Å; L62-C133 HydrophobicContact CD2-CB 3.6Å
63	F	92.2	Very high	85.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-48.9	178.1	-175.1	-90.8	0	0	0	111.3	L59 S60 S65 H66 M67 C112 Y115 M118 M120 T135 I180 T182	L59-F63 WeakPolarHBondContact O-CB 3.28Å; L59-F63 PolarHBondContact O-N 3.31Å; S60-F63 PolarHBondContact O-N 3.31Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 2.86Å; F63-H66 WeakPolarHBondContact O-CB 3.38Å; F63-H66 PolarHBondContact O-N 3.31Å; F63-H66 VanDerWaalsContact O-N 3.1Å; F63-M67 HydrophobicContact CD1-CG 4.15Å; F63-M67 HydrophobicContact CD1-SD 3.99Å; F63-M67 HydrophobicContact CE1-CG 3.98Å; F63-M67 HydrophobicContact CE1-SD 3.78Å; F63-M67 WeakPolarHBondContact O-CG 3.42Å; F63-M67 PolarHBondContact O-N 3.15Å; F63-M67 VanDerWaalsContact O-N 3.09Å; F63-C112 HydrophobicContact CE1-CB 3.95Å; F63-C112 HydrophobicContact CE2-CB 4.47Å; F63-C112 HydrophobicContact CZ-CB 3.79Å; F63-Y115 AromaticContact CE1-CD2 3.9Å; F63-Y115 HydrophobicContact CE1-CD2 3.9Å; F63-M118 HydrophobicContact CE1-SD 4.45Å; F63-M118 HydrophobicContact CE2-CB 4.28Å; F63-M118 HydrophobicContact CZ-CB 3.72Å; F63-M118 HydrophobicContact CZ-SD 4.08Å; F63-M120 HydrophobicContact CD2-CB 4.27Å; F63-M120 HydrophobicContact CD2-SD 4.45Å; F63-T135 HydrophobicContact CD2-CG2 4.07Å; F63-T135 HydrophobicContact CE2-CG2 3.81Å; F63-I180 HydrophobicContact CB-CD1 4.28Å; F63-I180 HydrophobicContact CB-CG2 4.39Å; F63-I180 HydrophobicContact CD2-CD1 3.87Å; F63-I180 HydrophobicContact CG-CD1 4.25Å; F63-T182 HydrophobicContact CD1-CG2 4.04Å
64	I	90.2	Very high	85.8	Confident	40 Å²	40	62.8 Å²	62.8	21%	0.205	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-40.7	176.7	-65.4	157.2	0	0	0	111.1	S60 G61 L62 H66 M67 T182 V188	S60-I64 WeakPolarHBondContact O-CD1 3.44Å; S60-I64 VanDerWaalsContact O-CG1 3.28Å; S60-I64 WeakPolarHBondContact O-CG1 3.31Å; S60-I64 PolarHBondContact O-N 2.95Å; G61-I64 PolarHBondContact O-N 2.8Å; L62-I64 PolarHBondContact O-N 2.83Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.02Å; I64-M67 WeakPolarHBondContact O-CB 3.29Å; I64-M67 PolarHBondContact O-N 2.88Å; I64-T182 HydrophobicContact CD1-CG2 4.32Å; I64-T182 HydrophobicContact CG1-CG2 4.08Å; I64-V188 HydrophobicContact CD1-CG2 3.39Å; I64-V188 HydrophobicContact CG1-CG2 4.3Å
65	S	91.5	Very high	86.7	Confident	52 Å²	52	57.5 Å²	57.5	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-34.3	177.1	84.8	0	0	0	0	112.7	G61 L62 F63	G61-S65 WeakPolarHBondContact O-CB 3.47Å; G61-S65 PolarHBondContact O-N 3.12Å; L62-S65 WeakPolarHBondContact O-CB 3.4Å; L62-S65 PolarHBondContact O-N 2.87Å; L62-S65 VanDerWaalsContact O-N 3.11Å; L62-S65 PolarHBondContact O-OG 3.1Å; F63-S65 VanDerWaalsContact C-N 3.3Å; F63-S65 PolarHBondContact O-N 2.86Å
66	H	94	Very high	87.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-73.9	-32	177.7	-69.7	-173.9	0	0	0	112.1	D44 S46 L62 F63 I64 N68 K69 C133 T135	D44-H66 HydrophobicContact CB-CB 4.01Å; D44-H66 IonicContact OD2-CD2 2.68Å; D44-H66 IonicContact OD2-NE2 3.67Å; S46-H66 PolarHBondContact OG-NE2 3.11Å; L62-H66 WeakPolarHBondContact CD1-NE2 3.39Å; L62-H66 PolarHBondContact O-CD2 2.92Å; L62-H66 PolarHBondContact O-N 2.98Å; F63-H66 WeakPolarHBondContact O-CB 3.38Å; F63-H66 PolarHBondContact O-N 3.31Å; F63-H66 VanDerWaalsContact O-N 3.1Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.02Å; H66-N68 VanDerWaalsContact C-N 3.26Å; H66-N68 PolarHBondContact O-N 2.86Å; H66-N68 VanDerWaalsContact O-N 3.17Å; H66-K69 WeakPolarHBondContact O-CB 3.11Å; H66-K69 PolarHBondContact O-N 2.86Å; H66-C133 PolarHBondContact CE1-O 3.18Å; H66-T135 HydrophobicContact CB-CG2 4.38Å; H66-T135 PolarHBondContact ND1-OG1 3.44Å
67	M	90.2	Very high	88.4	Confident	40 Å²	40	54.3 Å²	54.3	20%	0.197	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-34.7	-174	-75	179.7	75.1	0	0	114.7	F63 I64 K69 Y115 M118	F63-M67 HydrophobicContact CD1-CG 4.15Å; F63-M67 HydrophobicContact CD1-SD 3.99Å; F63-M67 HydrophobicContact CE1-CG 3.98Å; F63-M67 HydrophobicContact CE1-SD 3.78Å; F63-M67 WeakPolarHBondContact O-CG 3.42Å; F63-M67 PolarHBondContact O-N 3.15Å; F63-M67 VanDerWaalsContact O-N 3.09Å; I64-M67 WeakPolarHBondContact O-CB 3.29Å; I64-M67 PolarHBondContact O-N 2.88Å; M67-K69 VanDerWaalsContact C-N 3.3Å; M67-Y115 HydrophobicContact CE-CD1 3.58Å; M67-Y115 HydrophobicContact CE-CD2 3.76Å; M67-Y115 HydrophobicContact CE-CE1 3.27Å; M67-Y115 HydrophobicContact CE-CE2 3.49Å; M67-Y115 VanDerWaalsContact CE-CE2 3.49Å; M67-Y115 HydrophobicContact CE-CG 3.81Å; M67-Y115 HydrophobicContact SD-CD2 4.04Å; M67-Y115 HydrophobicContact SD-CE2 3.73Å; M67-M118 HydrophobicContact CE-CE 4.22Å; M67-M118 HydrophobicContact CE-SD 4.11Å; M67-M118 HydrophobicContact CG-SD 4.05Å
68	N	85.1	Confident	89.4	Confident	146 Å²	146	49.5 Å²	49.5	78%	0.781	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.2	-178.5	-64.1	-47.1	0	0	0	113.2	H66	H66-N68 VanDerWaalsContact C-N 3.26Å; H66-N68 PolarHBondContact O-N 2.86Å; H66-N68 VanDerWaalsContact O-N 3.17Å
69	K	88.1	Confident	90	Very high	102 Å²	102	44.9 Å²	44.9	44%	0.443	22%	0.22	S	C	.	.			trans	-100.3	156.9	-179	-66.7	176.2	175	174	0	110.7	L43 D44 H66 M67	L43-K69 CarbonylContact O-C 3.47Å; D44-K69 HydrophobicContact CB-CB 4.02Å; D44-K69 HydrophobicContact CB-CD 3.84Å; D44-K69 VanDerWaalsContact CG-CD 3.48Å; D44-K69 WeakPolarHBondContact OD2-CD 3.47Å; D44-K69 WeakPolarHBondContact OD2-CE 3.32Å; D44-K69 IonicContact OD2-NZ 2.71Å; D44-K69 PolarHBondContact OD2-NZ 2.85Å; H66-K69 WeakPolarHBondContact O-CB 3.11Å; H66-K69 PolarHBondContact O-N 2.86Å; M67-K69 VanDerWaalsContact C-N 3.3Å
70	R	85.4	Confident	90.4	Very high	179 Å²	179	44.4 Å²	44.4	68%	0.675	22%	0.217	S	C	*	.			trans	-144.5	101.1	175.5	-170.4	-179.8	-64.4	177.7	1.6	110.3	L43	L43-R70 CarbonylContact O-C 3.55Å; L43-R70 PolarHBondContact O-N 3Å
71	A	83.5	Confident	90.6	Very high	21 Å²	21	49.7 Å²	49.7	17%	0.174	24%	0.242	C	C	.	.	S	Bend	trans	-76.7	-48.3	175.3	0	0	0	0	0	111.7	A42 L43 K94 F97	A42-A71 PolarHBondContact O-N 2.85Å; L43-A71 WeakPolarHBondContact O-CB 3.35Å; L43-A71 PolarHBondContact O-N 3.37Å; A71-K94 WeakPolarHBondContact O-CB 3.49Å; A71-F97 HydrophobicContact CB-CE1 3.42Å; A71-F97 VanDerWaalsContact CB-CE1 3.42Å; A71-F97 HydrophobicContact CB-CZ 3.68Å
72	S	84.9	Confident	90.7	Very high	3 Å²	3	51 Å²	51	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	137.1	-175.7	-89.7	0	0	0	0	113.6	C41 A42 K88 K94 S95	C41-S72 CarbonylContact C-O 3.53Å; C41-S72 WeakPolarHBondContact CA-O 3.41Å; A42-S72 PolarHBondContact N-O 2.89Å; A42-S72 PolarHBondContact O-N 3.49Å; S72-K88 PolarHBondContact OG-NZ 2.66Å; S72-K94 PolarHBondContact OG-O 3.02Å; S72-S95 PolarHBondContact OG-O 3.07Å
73	H	87.7	Confident	90.9	Very high	81 Å²	81	52.5 Å²	52.5	38%	0.375	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152	175.7	-166.3	-102.8	0	0	0	110.9	C41 V75	C41-H73 PolarHBondContact SG-CD2 2.86Å; H73-V75 PolarHBondContact O-N 3.46Å
74	Q	88.5	Confident	91	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.341	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	48.5	179.3	-73.3	171.7	28.2	0	0	114.1	V39	V39-Q74 HydrophobicContact CG1-CB 4.41Å; V39-Q74 HydrophobicContact CG1-CG 4.45Å
75	V	92.1	Very high	91.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.4	171.1	-174.7	0	0	0	0	108.3	V39 V40 H73 F77 L86 V96	V39-V75 WeakPolarHBondContact CA-O 3.44Å; V40-V75 HydrophobicContact CG2-CB 4.08Å; V40-V75 PolarHBondContact N-O 2.86Å; V40-V75 PolarHBondContact O-N 3.2Å; H73-V75 PolarHBondContact O-N 3.46Å; V75-F77 HydrophobicContact CG1-CD1 4.09Å; V75-F77 HydrophobicContact CG1-CE1 3.99Å; V75-L86 HydrophobicContact CG1-CB 4.01Å; V75-V96 HydrophobicContact CG1-CG1 4.09Å; V75-V96 HydrophobicContact CG1-CG2 3.91Å; V75-V96 HydrophobicContact CG2-CG2 3.94Å
76	R	93.7	Very high	91.4	Very high	130 Å²	130	48.9 Å²	48.9	49%	0.491	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120	173.6	-176.3	-178.8	-65.1	160.3	-0.6	109.1	R87	R76-R87 PolarHBondContact N-O 3.46Å; R76-R87 PolarHBondContact O-N 3.44Å
77	F	95.5	Very high	91.2	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.4	166.9	-84.2	25.1	0	0	0	108.5	R37 C38 V40 V75 I84 L86 F119 Y136 L147	R37-F77 VanDerWaalsContact CA-O 3.32Å; R37-F77 WeakPolarHBondContact CA-O 3.46Å; C38-F77 PolarHBondContact N-O 3.04Å; C38-F77 PolarHBondContact O-N 2.84Å; V40-F77 HydrophobicContact CG1-CD2 4.37Å; V40-F77 HydrophobicContact CG1-CG 4.38Å; V40-F77 HydrophobicContact CG2-CD1 3.53Å; V40-F77 HydrophobicContact CG2-CD2 4.46Å; V40-F77 HydrophobicContact CG2-CE1 3.29Å; V40-F77 HydrophobicContact CG2-CE2 4.3Å; V40-F77 HydrophobicContact CG2-CG 4.14Å; V40-F77 HydrophobicContact CG2-CZ 3.74Å; V75-F77 HydrophobicContact CG1-CD1 4.09Å; V75-F77 HydrophobicContact CG1-CE1 3.99Å; F77-I84 HydrophobicContact CB-CG2 4.35Å; F77-I84 HydrophobicContact CD2-CG2 4.01Å; F77-I84 HydrophobicContact CE2-CG2 4.46Å; F77-I84 HydrophobicContact CG-CG2 4.15Å; F77-L86 HydrophobicContact CD1-CD2 4.28Å; F77-L86 HydrophobicContact CD1-CG 3.94Å; F77-L86 HydrophobicContact CE1-CB 4.35Å; F77-L86 HydrophobicContact CE1-CD2 3.38Å; F77-L86 HydrophobicContact CE1-CG 3.53Å; F77-L86 HydrophobicContact CZ-CD2 3.74Å; F77-L86 HydrophobicContact CZ-CG 4.11Å; F77-F119 HydrophobicContact CD2-CZ 4.5Å; F77-F119 HydrophobicContact CE2-CE2 4.35Å; F77-F119 AromaticContact CE2-CZ 3.77Å; F77-F119 HydrophobicContact CE2-CZ 3.77Å; F77-F119 HydrophobicContact CZ-CZ 4.48Å; F77-Y136 HydrophobicContact CE1-CD1 4.17Å; F77-Y136 AromaticContact CE1-CE1 3.99Å; F77-Y136 HydrophobicContact CE1-CE1 3.99Å; F77-Y136 AromaticContact CZ-CD1 3.64Å; F77-Y136 HydrophobicContact CZ-CD1 3.64Å; F77-Y136 HydrophobicContact CZ-CD2 4.26Å; F77-Y136 AromaticContact CZ-CE1 3.55Å; F77-Y136 HydrophobicContact CZ-CE1 3.55Å; F77-Y136 HydrophobicContact CZ-CE2 4.17Å; F77-Y136 AromaticContact CZ-CG 4Å; F77-Y136 HydrophobicContact CZ-CG 4Å; F77-Y136 AromaticContact CZ-CZ 3.82Å; F77-L147 HydrophobicContact CD2-CD1 4.24Å; F77-L147 HydrophobicContact CD2-CD2 4.22Å
78	T	96	Very high	91	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	106.7	172.1	-58.5	0	0	0	0	108.1	I34 R37 L80 I85	I34-T78 HydrophobicContact CG1-CG2 3.99Å; I34-T78 HydrophobicContact CG2-CG2 4.06Å; R37-T78 HydrophobicContact CG-CG2 4.01Å; T78-L80 HydrophobicContact CG2-CD2 3.83Å; T78-I85 PolarHBondContact N-O 3.14Å; T78-I85 PolarHBondContact O-N 3.22Å
79	C	96.2	Very high	90.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.5	177.5	-59.8	0	0	0	0	108.9	I35 Y36 Y103 V150	I35-C79 PolarHBondContact N-O 2.98Å; Y36-C79 PolarHBondContact N-O 2.91Å; Y36-C79 PolarHBondContact O-N 2.81Å; C79-Y103 WeakPolarHBondContact CB-OH 3.25Å; C79-V150 HydrophobicContact CB-CG1 3.74Å
80	L	95	Very high	89.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.237	C	C	.	.			trans	-99.2	-169.7	172	-53.8	-176.1	0	0	0	109.7	D27 T30 Q32 I34 I35 T78 R83 I85 Y103	D27-L80 HydrophobicContact CB-CD1 4.32Å; D27-L80 HydrophobicContact CB-CD2 3.76Å; T30-L80 HydrophobicContact CG2-CD1 4.09Å; T30-L80 WeakPolarHBondContact OG1-CD1 3.48Å; Q32-L80 HydrophobicContact CB-CB 4.26Å; Q32-L80 HydrophobicContact CB-CD1 4.23Å; Q32-L80 HydrophobicContact CB-CD2 4.44Å; I34-L80 HydrophobicContact CG1-CD2 3.89Å; I35-L80 WeakPolarHBondContact CD1-O 3.34Å; T78-L80 HydrophobicContact CG2-CD2 3.83Å; L80-R83 WeakPolarHBondContact CB-O 3.24Å; L80-R83 HydrophobicContact CD1-CG 4.31Å; L80-R83 PolarHBondContact N-O 2.84Å; L80-I85 HydrophobicContact CD1-CD1 3.46Å; L80-I85 VanDerWaalsContact CD1-CD1 3.46Å; L80-I85 HydrophobicContact CD1-CG1 3.97Å; L80-I85 HydrophobicContact CG-CD1 4.29Å; L80-I85 HydrophobicContact CG-CG1 4.45Å; L80-Y103 VanDerWaalsContact O-CE2 3.26Å; L80-Y103 WeakPolarHBondContact O-CE2 3.48Å; L80-Y103 PolarHBondContact O-OH 2.81Å
81	E	92	Very high	88.2	Confident	110 Å²	110	55.2 Å²	55.2	51%	0.514	25%	0.249	S	C	.	.	S	Bend	trans	-73.5	-34.2	-178.4	-62.4	-175.1	160.6	0	0	112.7	K33 I35 Y103	K33-E81 HydrophobicContact CB-CG 4.39Å; I35-E81 HydrophobicContact CD1-CG 4.34Å; E81-Y103 WeakPolarHBondContact O-CE2 3.48Å
82	D	91.7	Very high	87	Confident	58 Å²	58	61.3 Å²	61.3	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-110	-21	-176.1	69.3	-13.8	0	0	0	114.6	Q32 Y103	Q32-D82 PolarHBondContact NE2-OD1 2.87Å; Q32-D82 PolarHBondContact NE2-OD2 3.08Å; Q32-D82 PolarHBondContact OE1-OD1 3.32Å; D82-Y103 VanDerWaalsContact C-CE2 3.44Å; D82-Y103 WeakPolarHBondContact O-CD2 3.19Å; D82-Y103 PolarHBondContact O-N 3.21Å; D82-Y103 VanDerWaalsContact O-N 3.09Å
83	R	94.8	Very high	85.7	Confident	59 Å²	59	63.7 Å²	63.7	22%	0.223	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.2	-170.6	78	-169.6	69.5	-164.9	0	113.9	L80 I85 V101 M102 Y103	L80-R83 WeakPolarHBondContact CB-O 3.24Å; L80-R83 HydrophobicContact CD1-CG 4.31Å; L80-R83 PolarHBondContact N-O 2.84Å; R83-I85 HydrophobicContact CG-CG1 4.17Å; R83-V101 CarbonylContact C-O 3.49Å; R83-V101 VanDerWaalsContact CA-O 3.27Å; R83-V101 WeakPolarHBondContact CA-O 3.26Å; R83-V101 VanDerWaalsContact CB-O 3.28Å; R83-V101 WeakPolarHBondContact CB-O 3.43Å; R83-M102 HydrophobicContact CB-SD 3.74Å; R83-M102 VanDerWaalsContact CZ-SD 3.54Å; R83-Y103 VanDerWaalsContact N-CE2 3.31Å
84	I	95.9	Very high	84.6	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	165.4	-52.8	174.9	0	0	0	108	F77 L86 H100 V101 Y103 I106 I151	F77-I84 HydrophobicContact CB-CG2 4.35Å; F77-I84 HydrophobicContact CD2-CG2 4.01Å; F77-I84 HydrophobicContact CE2-CG2 4.46Å; F77-I84 HydrophobicContact CG-CG2 4.15Å; I84-L86 HydrophobicContact CG2-CD1 4.24Å; I84-H100 CarbonylContact O-C 3.46Å; I84-H100 WeakPolarHBondContact O-CA 3.4Å; I84-H100 WeakPolarHBondContact O-CB 3.27Å; I84-V101 PolarHBondContact N-O 2.68Å; I84-V101 PolarHBondContact O-N 2.77Å; I84-Y103 HydrophobicContact CD1-CE1 4Å; I84-Y103 HydrophobicContact CG1-CD1 4.3Å; I84-Y103 HydrophobicContact CG1-CE1 3.55Å; I84-I106 HydrophobicContact CD1-CD1 4.14Å; I84-I151 HydrophobicContact CD1-CD1 3.81Å; I84-I151 HydrophobicContact CD1-CG1 3.95Å
85	I	94.9	Very high	83.7	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.072	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131	170.2	-58.1	-177.3	0	0	0	108.8	T30 T78 L80 R83 R87	T30-I85 HydrophobicContact CG2-CD1 4.37Å; T78-I85 PolarHBondContact N-O 3.14Å; T78-I85 PolarHBondContact O-N 3.22Å; L80-I85 HydrophobicContact CD1-CD1 3.46Å; L80-I85 VanDerWaalsContact CD1-CD1 3.46Å; L80-I85 HydrophobicContact CD1-CG1 3.97Å; L80-I85 HydrophobicContact CG-CD1 4.29Å; L80-I85 HydrophobicContact CG-CG1 4.45Å; R83-I85 HydrophobicContact CG-CG1 4.17Å; I85-R87 HydrophobicContact CG2-CG 3.88Å
86	L	93.8	Very high	83.1	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	176.8	-60	80.6	0	0	0	108.7	V75 F77 I84 V96 R98 D99 V101 Y136	V75-L86 HydrophobicContact CG1-CB 4.01Å; F77-L86 HydrophobicContact CD1-CD2 4.28Å; F77-L86 HydrophobicContact CD1-CG 3.94Å; F77-L86 HydrophobicContact CE1-CB 4.35Å; F77-L86 HydrophobicContact CE1-CD2 3.38Å; F77-L86 HydrophobicContact CE1-CG 3.53Å; F77-L86 HydrophobicContact CZ-CD2 3.74Å; F77-L86 HydrophobicContact CZ-CG 4.11Å; I84-L86 HydrophobicContact CG2-CD1 4.24Å; L86-V96 HydrophobicContact CB-CG1 3.91Å; L86-V96 HydrophobicContact CD2-CG1 3.58Å; L86-V96 HydrophobicContact CG-CG1 4.41Å; L86-R98 HydrophobicContact CD1-CG 4.44Å; L86-D99 PolarHBondContact N-O 3.17Å; L86-V101 HydrophobicContact CD1-CG2 3.75Å; L86-Y136 HydrophobicContact CD2-CE1 4.21Å
87	R	90.1	Very high	82.8	Confident	99 Å²	99	64.7 Å²	64.7	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.9	178.6	-66.1	-64.7	-174.7	-173.2	-6.3	111.2	R76 I85 D99	R76-R87 PolarHBondContact N-O 3.46Å; R76-R87 PolarHBondContact O-N 3.44Å; I85-R87 HydrophobicContact CG2-CG 3.88Å; R87-D99 IonicContact NH1-OD2 3.54Å; R87-D99 PolarHBondContact NH1-OD2 3.09Å
88	K	85.2	Confident	82.5	Confident	46 Å²	46	67 Å²	67	20%	0.2	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.6	169.4	-157.3	169.2	-168.1	167.7	0	110.3	S72 N90 A93 K94 V96	S72-K88 PolarHBondContact OG-NZ 2.66Å; K88-N90 WeakPolarHBondContact CD-O 3.48Å; K88-A93 HydrophobicContact CD-CB 4.41Å; K88-A93 VanDerWaalsContact CE-CB 3.42Å; K88-A93 PolarHBondContact NZ-O 3.34Å; K88-K94 PolarHBondContact NZ-O 3.18Å; K88-V96 HydrophobicContact CB-CG2 4.29Å
89	K	73.2	Confident	82.3	Confident	152 Å²	152	71.2 Å²	71.2	66%	0.661	36%	0.355	S	S	*	.	S	Bend	trans	-72.8	-36.3	174.6	-170.5	-179.8	176.3	-175	0	112.1
90	N	66.9	Low	82.2	Confident	92 Å²	92	75.2 Å²	75.2	49%	0.492	37%	0.373	S	S	.	.			trans	-110.3	122.6	-172.6	-62.7	-5	0	0	0	110.6	K88 V92	K88-N90 WeakPolarHBondContact CD-O 3.48Å; N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 PolarHBondContact O-N 3.32Å
91	F	61.1	Low	82.2	Confident	212 Å²	212	75.5 Å²	75.5	93%	0.93	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.2	179.3	-68.5	-84.4	0	0	0	114.3
92	V	57.8	Low	82.3	Confident	149 Å²	149	72 Å²	72	90%	0.903	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.8	-172.1	-176.9	0	0	0	0	113.3	N90	N90-V92 VanDerWaalsContact C-N 3.27Å; N90-V92 PolarHBondContact O-N 3.32Å
93	A	57.3	Low	82.5	Confident	52 Å²	52	69.6 Å²	69.6	43%	0.43	35%	0.346	S	S	.	.	S	Bend	trans	-99.1	146.4	-173.2	0	0	0	0	0	110.8	K88	K88-A93 HydrophobicContact CD-CB 4.41Å; K88-A93 VanDerWaalsContact CE-CB 3.42Å; K88-A93 PolarHBondContact NZ-O 3.34Å
94	K	65.5	Low	82.3	Confident	158 Å²	158	73.7 Å²	73.7	69%	0.687	37%	0.365	S	S	*	.			trans	-24.2	133.5	178.9	-72.7	-175.8	178.2	-177.7	0	114	A71 S72 K88	A71-K94 WeakPolarHBondContact O-CB 3.49Å; S72-K94 PolarHBondContact OG-O 3.02Å; K88-K94 PolarHBondContact NZ-O 3.18Å
95	S	69.2	Low	82.2	Confident	105 Å²	105	76.2 Å²	76.2	73%	0.734	38%	0.378	S	S	*	.			trans	-55	152	179	58.2	0	0	0	0	111.1	S72	S72-S95 PolarHBondContact OG-O 3.07Å
96	V	80	Confident	82.2	Confident	17 Å²	17	75.8 Å²	75.8	10%	0.103	38%	0.376	C	S	.	.			trans	-65.4	157.6	165.7	-169.6	0	0	0	0	107.9	V75 L86 K88 R98	V75-V96 HydrophobicContact CG1-CG1 4.09Å; V75-V96 HydrophobicContact CG1-CG2 3.91Å; V75-V96 HydrophobicContact CG2-CG2 3.94Å; L86-V96 HydrophobicContact CB-CG1 3.91Å; L86-V96 HydrophobicContact CD2-CG1 3.58Å; L86-V96 HydrophobicContact CG-CG1 4.41Å; K88-V96 HydrophobicContact CB-CG2 4.29Å; V96-R98 WeakPolarHBondContact CG1-O 3.15Å; V96-R98 PolarHBondContact O-N 3.03Å; V96-R98 VanDerWaalsContact O-N 3.15Å
97	F	87.3	Confident	82	Confident	25 Å²	25	78 Å²	78	11%	0.11	39%	0.387	C	S	.	.	S	Bend	trans	-53.2	-35.2	176.8	-55.1	-38	0	0	0	112.6	A42 D44 R45 A71 E134 Y136	A42-F97 HydrophobicContact CB-CD2 4.4Å; A42-F97 HydrophobicContact CB-CE2 3.76Å; A42-F97 HydrophobicContact CB-CZ 3.9Å; D44-F97 WeakPolarHBondContact O-CE2 3.28Å; D44-F97 WeakPolarHBondContact O-CZ 3.13Å; R45-F97 HydrophobicContact CB-CD1 4.1Å; R45-F97 HydrophobicContact CB-CD2 4.16Å; R45-F97 HydrophobicContact CB-CE1 4.1Å; R45-F97 HydrophobicContact CB-CE2 4.17Å; R45-F97 HydrophobicContact CB-CG 4.15Å; R45-F97 HydrophobicContact CB-CZ 4.16Å; R45-F97 HydrophobicContact CG-CD1 3.83Å; R45-F97 HydrophobicContact CG-CE1 4.01Å; R45-F97 HydrophobicContact CG-CG 4.23Å; R45-F97 PolarHBondContact NH1-O 3.05Å; A71-F97 HydrophobicContact CB-CE1 3.42Å; A71-F97 VanDerWaalsContact CB-CE1 3.42Å; A71-F97 HydrophobicContact CB-CZ 3.68Å; F97-E134 HydrophobicContact CD2-CB 4.16Å; F97-E134 HydrophobicContact CD2-CG 4.1Å; F97-E134 HydrophobicContact CE2-CB 4.35Å; F97-Y136 HydrophobicContact CD2-CE1 4.22Å; F97-Y136 AromaticContact CD2-CZ 3.98Å; F97-Y136 WeakPolarHBondContact CD2-OH 3.34Å; F97-Y136 HydrophobicContact CE2-CE1 4.21Å
98	R	89.7	Confident	82.1	Confident	53 Å²	53	74.7 Å²	74.7	20%	0.2	38%	0.375	C	S	.	.			trans	-159.2	162.5	176.6	61.8	-171.7	79.6	-120.6	1	111.2	L86 V96 H100 V101 Y132 E134	L86-R98 HydrophobicContact CD1-CG 4.44Å; V96-R98 WeakPolarHBondContact CG1-O 3.15Å; V96-R98 PolarHBondContact O-N 3.03Å; V96-R98 VanDerWaalsContact O-N 3.15Å; R98-H100 WeakPolarHBondContact CD-O 3.45Å; R98-H100 WeakPolarHBondContact CG-O 3.45Å; R98-V101 HydrophobicContact CG-CG2 4.08Å; R98-Y132 VanDerWaalsContact NH2-CD2 3.26Å; R98-E134 IonicContact CZ-OE1 2.74Å; R98-E134 IonicContact NE-OE1 2.83Å; R98-E134 PolarHBondContact NE-OE1 3.19Å; R98-E134 IonicContact NE-OE2 3.41Å; R98-E134 IonicContact NH2-OE1 3.63Å; R98-E134 PolarHBondContact NH2-OE1 3.07Å
99	D	90.9	Very high	82.5	Confident	93 Å²	93	73 Å²	73	50%	0.497	37%	0.368	S	S	.	.	S	Bend	trans	-81.5	-28.3	177.8	-90.2	18.7	0	0	0	113.2	L86 R87	L86-D99 PolarHBondContact N-O 3.17Å; R87-D99 IonicContact NH1-OD2 3.54Å; R87-D99 PolarHBondContact NH1-OD2 3.09Å
100	H	94	Very high	83.4	Confident	84 Å²	84	66 Å²	66	39%	0.389	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	159	178.2	65.9	-79.2	0	0	0	112	I84 R98	I84-H100 CarbonylContact O-C 3.46Å; I84-H100 WeakPolarHBondContact O-CA 3.4Å; I84-H100 WeakPolarHBondContact O-CB 3.27Å; R98-H100 WeakPolarHBondContact CD-O 3.45Å; R98-H100 WeakPolarHBondContact CG-O 3.45Å
101	V	94.6	Very high	84.5	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.4	173.3	-168.1	0	0	0	0	107.6	R83 I84 L86 R98 I106 V123	R83-V101 CarbonylContact C-O 3.49Å; R83-V101 VanDerWaalsContact CA-O 3.27Å; R83-V101 WeakPolarHBondContact CA-O 3.26Å; R83-V101 VanDerWaalsContact CB-O 3.28Å; R83-V101 WeakPolarHBondContact CB-O 3.43Å; I84-V101 PolarHBondContact N-O 2.68Å; I84-V101 PolarHBondContact O-N 2.77Å; L86-V101 HydrophobicContact CD1-CG2 3.75Å; R98-V101 HydrophobicContact CG-CG2 4.08Å; V101-I106 HydrophobicContact CG1-CD1 4.01Å; V101-I106 HydrophobicContact CG1-CG1 3.62Å; V101-V123 HydrophobicContact CG1-CG1 3.87Å; V101-V123 HydrophobicContact CG1-CG2 4.01Å
102	M	94.7	Very high	85.7	Confident	38 Å²	38	53.1 Å²	53.1	19%	0.187	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.8	172.3	-53.9	-69.7	-173.1	0	0	109.7	R83 K104 D105	R83-M102 HydrophobicContact CB-SD 3.74Å; R83-M102 VanDerWaalsContact CZ-SD 3.54Å; M102-K104 HydrophobicContact CB-CG 3.9Å; M102-K104 PolarHBondContact O-N 2.76Å; M102-D105 HydrophobicContact CB-CB 4.49Å; M102-D105 WeakPolarHBondContact CB-OD2 3.33Å; M102-D105 WeakPolarHBondContact CG-OD2 3.44Å; M102-D105 PolarHBondContact O-N 2.81Å
103	Y	94.9	Very high	87	Confident	7 Å²	7	52.8 Å²	52.8	3%	0.027	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.6	-33	178.9	-63.4	-60.7	0	0	0	112.8	C79 L80 E81 D82 R83 I84 D105 I106 I151 A154	C79-Y103 WeakPolarHBondContact CB-OH 3.25Å; L80-Y103 VanDerWaalsContact O-CE2 3.26Å; L80-Y103 WeakPolarHBondContact O-CE2 3.48Å; L80-Y103 PolarHBondContact O-OH 2.81Å; E81-Y103 WeakPolarHBondContact O-CE2 3.48Å; D82-Y103 VanDerWaalsContact C-CE2 3.44Å; D82-Y103 WeakPolarHBondContact O-CD2 3.19Å; D82-Y103 PolarHBondContact O-N 3.21Å; D82-Y103 VanDerWaalsContact O-N 3.09Å; R83-Y103 VanDerWaalsContact N-CE2 3.31Å; I84-Y103 HydrophobicContact CD1-CE1 4Å; I84-Y103 HydrophobicContact CG1-CD1 4.3Å; I84-Y103 HydrophobicContact CG1-CE1 3.55Å; Y103-D105 PolarHBondContact O-N 2.58Å; Y103-I106 HydrophobicContact CD1-CD1 4.19Å; Y103-I106 PolarHBondContact O-N 2.83Å; Y103-I151 HydrophobicContact CD1-CG1 4.17Å; Y103-I151 HydrophobicContact CE1-CG1 3.92Å; Y103-A154 HydrophobicContact CD1-CB 3.98Å; Y103-A154 HydrophobicContact CD2-CB 3.28Å; Y103-A154 HydrophobicContact CE1-CB 4.13Å; Y103-A154 HydrophobicContact CE2-CB 3.46Å; Y103-A154 VanDerWaalsContact CE2-CB 3.46Å; Y103-A154 HydrophobicContact CG-CB 3.57Å
104	K	92.4	Very high	88.5	Confident	145 Å²	145	53.2 Å²	53.2	63%	0.63	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-64	-22.3	176.4	69.2	177	-173.4	175	0	114.2	M102	M102-K104 HydrophobicContact CB-CG 3.9Å; M102-K104 PolarHBondContact O-N 2.76Å
105	D	93	Very high	89.8	Confident	53 Å²	53	47.9 Å²	47.9	28%	0.283	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-91.1	-9.8	-179.4	-58.8	-31.3	0	0	0	111.5	M102 Y103 E107 V123 K124	M102-D105 HydrophobicContact CB-CB 4.49Å; M102-D105 WeakPolarHBondContact CB-OD2 3.33Å; M102-D105 WeakPolarHBondContact CG-OD2 3.44Å; M102-D105 PolarHBondContact O-N 2.81Å; Y103-D105 PolarHBondContact O-N 2.58Å; D105-E107 PolarHBondContact O-N 3.49Å; D105-V123 HydrophobicContact CB-CG1 4.23Å; D105-V123 CarbonylContact O-C 3.54Å; D105-V123 WeakPolarHBondContact O-CA 2.9Å; D105-K124 PolarHBondContact O-N 2.92Å
106	I	94	Very high	90.9	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.1	174.3	-56.3	175.3	0	0	0	108.3	I84 V101 Y103 L121 I151	I84-I106 HydrophobicContact CD1-CD1 4.14Å; V101-I106 HydrophobicContact CG1-CD1 4.01Å; V101-I106 HydrophobicContact CG1-CG1 3.62Å; Y103-I106 HydrophobicContact CD1-CD1 4.19Å; Y103-I106 PolarHBondContact O-N 2.83Å; I106-L121 HydrophobicContact CG2-CD2 4.26Å; I106-I151 HydrophobicContact CD1-CD1 4.3Å; I106-I151 HydrophobicContact CD1-CG1 4.39Å; I106-I151 HydrophobicContact CD1-CG2 4.12Å; I106-I151 HydrophobicContact CG2-CG2 4.36Å
107	E	90.9	Very high	91.6	Very high	47 Å²	47	47.3 Å²	47.3	22%	0.22	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-43.9	179	-61.6	176.4	147.5	0	0	110.9	D105 S122 S131	D105-E107 PolarHBondContact O-N 3.49Å; E107-S122 PolarHBondContact N-O 2.74Å; E107-S122 PolarHBondContact OE2-OG 3.28Å; E107-S131 VanDerWaalsContact CD-OG 3.29Å; E107-S131 PolarHBondContact OE1-OG 3.01Å; E107-S131 VanDerWaalsContact OE2-CB 3.25Å; E107-S131 WeakPolarHBondContact OE2-CB 3.46Å; E107-S131 PolarHBondContact OE2-OG 3.25Å
108	H	91.7	Very high	92	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.7	-175.8	-62.6	-77.3	0	0	0	112.1	F110 L121 S122 S176	H108-F110 HydrophobicContact CB-CD2 4.18Å; H108-F110 HydrophobicContact CB-CE1 3.97Å; H108-F110 HydrophobicContact CB-CE2 3.46Å; H108-F110 VanDerWaalsContact CB-CE2 3.46Å; H108-F110 HydrophobicContact CB-CZ 3.33Å; H108-F110 AromaticContact CG-CZ 3.78Å; H108-L121 WeakPolarHBondContact O-CA 3.42Å; H108-S122 PolarHBondContact N-O 3.07Å; H108-S122 PolarHBondContact O-N 3.45Å; H108-S176 PolarHBondContact ND1-O 3.22Å
109	F	93.5	Very high	92.2	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.4	168.5	-169.8	-76.6	0	0	0	108.3	M111 F119 L121 T144 L147 C148 I151 S178	F109-M111 HydrophobicContact CD1-CG 3.92Å; F109-M111 HydrophobicContact CE1-CG 3.51Å; F109-M111 HydrophobicContact CE1-SD 3.99Å; F109-F119 HydrophobicContact CD2-CD2 4.39Å; F109-F119 HydrophobicContact CE1-CB 3.76Å; F109-F119 HydrophobicContact CE1-CD2 4.45Å; F109-F119 HydrophobicContact CE1-CG 4.27Å; F109-F119 HydrophobicContact CE2-CB 4.37Å; F109-F119 AromaticContact CE2-CD2 3.54Å; F109-F119 HydrophobicContact CE2-CD2 3.54Å; F109-F119 AromaticContact CE2-CE2 4Å; F109-F119 HydrophobicContact CE2-CE2 4Å; F109-F119 HydrophobicContact CE2-CG 4.04Å; F109-F119 HydrophobicContact CZ-CB 3.58Å; F109-F119 HydrophobicContact CZ-CD1 4.32Å; F109-F119 AromaticContact CZ-CD2 3.58Å; F109-F119 HydrophobicContact CZ-CD2 3.58Å; F109-F119 HydrophobicContact CZ-CE2 4.33Å; F109-F119 AromaticContact CZ-CG 3.57Å; F109-F119 HydrophobicContact CZ-CG 3.57Å; F109-L121 HydrophobicContact CB-CD2 4.39Å; F109-L121 HydrophobicContact CD2-CD2 3.25Å; F109-L121 HydrophobicContact CE2-CD2 3.73Å; F109-L121 HydrophobicContact CG-CD2 4.09Å; F109-T144 HydrophobicContact CE1-CG2 4.45Å; F109-T144 HydrophobicContact CZ-CG2 4.41Å; F109-L147 HydrophobicContact CE2-CB 4.35Å; F109-L147 HydrophobicContact CZ-CB 4.36Å; F109-C148 HydrophobicContact CD1-CB 4.04Å; F109-C148 HydrophobicContact CE1-CB 3.67Å; F109-C148 HydrophobicContact CZ-CB 4.01Å; F109-I151 HydrophobicContact CD2-CD1 3.49Å; F109-I151 VanDerWaalsContact CD2-CD1 3.49Å; F109-I151 HydrophobicContact CE2-CD1 3.55Å; F109-S178 PolarHBondContact O-N 2.98Å
110	F	92.7	Very high	92.4	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	-177	-57.9	-73.9	0	0	0	111.5	V53 L59 H108 F119 M120 S178 I180	V53-F110 HydrophobicContact CG1-CE2 3.93Å; V53-F110 HydrophobicContact CG1-CZ 3.63Å; L59-F110 HydrophobicContact CD1-CE2 4.21Å; L59-F110 HydrophobicContact CD1-CZ 4.4Å; L59-F110 HydrophobicContact CD2-CD1 3.52Å; L59-F110 HydrophobicContact CD2-CD2 4.01Å; L59-F110 HydrophobicContact CD2-CE1 3.35Å; L59-F110 HydrophobicContact CD2-CE2 3.85Å; L59-F110 HydrophobicContact CD2-CG 3.85Å; L59-F110 HydrophobicContact CD2-CZ 3.52Å; H108-F110 HydrophobicContact CB-CD2 4.18Å; H108-F110 HydrophobicContact CB-CE1 3.97Å; H108-F110 HydrophobicContact CB-CE2 3.46Å; H108-F110 VanDerWaalsContact CB-CE2 3.46Å; H108-F110 HydrophobicContact CB-CZ 3.33Å; H108-F110 AromaticContact CG-CZ 3.78Å; F110-F119 CarbonylContact O-C 3.53Å; F110-F119 VanDerWaalsContact O-CA 3.23Å; F110-F119 WeakPolarHBondContact O-CA 3.33Å; F110-F119 WeakPolarHBondContact O-CB 3.44Å; F110-M120 HydrophobicContact CB-CB 4.18Å; F110-M120 HydrophobicContact CD2-CB 4.33Å; F110-M120 HydrophobicContact CD2-CE 4.07Å; F110-M120 WeakPolarHBondContact CD2-O 3.34Å; F110-M120 PolarHBondContact N-O 3.46Å; F110-M120 PolarHBondContact O-N 2.89Å; F110-S178 WeakPolarHBondContact CA-O 3.49Å; F110-S178 WeakPolarHBondContact CD1-OG 3.32Å; F110-S178 WeakPolarHBondContact CE1-OG 3.26Å; F110-I180 HydrophobicContact CB-CD1 3.51Å; F110-I180 HydrophobicContact CB-CG1 3.86Å; F110-I180 HydrophobicContact CD1-CG1 4.29Å; F110-I180 HydrophobicContact CG-CD1 4.07Å; F110-I180 HydrophobicContact CG-CG1 4.28Å
111	M	90.1	Very high	92.5	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.153	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	147.9	172.7	-65.1	-175.8	-64.9	0	0	110.2	F109 T144 C148 S178 Y179 I180	F109-M111 HydrophobicContact CD1-CG 3.92Å; F109-M111 HydrophobicContact CE1-CG 3.51Å; F109-M111 HydrophobicContact CE1-SD 3.99Å; M111-T144 HydrophobicContact CG-CG2 4.23Å; M111-T144 HydrophobicContact SD-CG2 4.21Å; M111-C148 HydrophobicContact SD-CB 4.21Å; M111-S178 PolarHBondContact N-O 3.41Å; M111-Y179 HydrophobicContact CB-CD1 4.08Å; M111-Y179 HydrophobicContact CB-CE1 4.08Å; M111-Y179 HydrophobicContact CE-CE1 3.83Å; M111-Y179 CarbonylContact O-C 3.54Å; M111-Y179 VanDerWaalsContact O-CA 3.28Å; M111-Y179 WeakPolarHBondContact O-CA 3.4Å; M111-I180 PolarHBondContact O-N 3.4Å
112	C	85.4	Confident	92.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.6	173.5	-158.7	0	0	0	0	108.9	F63 E114 Y115 T182	F63-C112 HydrophobicContact CE1-CB 3.95Å; F63-C112 HydrophobicContact CE2-CB 4.47Å; F63-C112 HydrophobicContact CZ-CB 3.79Å; C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact SG-OE2 2.72Å; C112-Y115 HydrophobicContact CB-CD2 4.36Å; C112-Y115 CarbonylContact O-C 3.58Å; C112-Y115 VanDerWaalsContact O-C 3.28Å; C112-Y115 PolarHBondContact O-N 3.39Å; C112-T182 WeakPolarHBondContact SG-CG2 3.33Å
113	Q	85.9	Confident	92.5	Very high	143 Å²	143	33.9 Å²	33.9	67%	0.668	16%	0.164	S	C	*	.	S	Bend	trans	-69.4	-34.4	179.7	-68.2	-174.4	-5.8	0	0	111.7	Y115 Y179	Q113-Y115 VanDerWaalsContact C-N 3.28Å; Q113-Y115 PolarHBondContact O-N 3.02Å; Q113-Y179 HydrophobicContact CG-CD1 3.84Å; Q113-Y179 HydrophobicContact CG-CE1 4.26Å
114	E	88.1	Confident	92.4	Very high	61 Å²	61	39.6 Å²	39.6	29%	0.285	19%	0.189	S	C	.	.	S	Bend	trans	-70.3	-24.5	177.2	-61.4	77.3	-166.1	0	0	113	C112 T182 Q183	C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact SG-OE2 2.72Å; E114-T182 PolarHBondContact OE2-OG1 3.2Å; E114-Q183 PolarHBondContact OE1-NE2 2.63Å
115	Y	92.2	Very high	92.4	Very high	45 Å²	45	33.2 Å²	33.2	18%	0.176	16%	0.163	C	C	.	.			trans	-131.6	73.6	-176.4	-54.7	-73.9	0	0	0	110.4	F63 M67 C112 Q113 D117 M118	F63-Y115 AromaticContact CE1-CD2 3.9Å; F63-Y115 HydrophobicContact CE1-CD2 3.9Å; M67-Y115 HydrophobicContact CE-CD1 3.58Å; M67-Y115 HydrophobicContact CE-CD2 3.76Å; M67-Y115 HydrophobicContact CE-CE1 3.27Å; M67-Y115 HydrophobicContact CE-CE2 3.49Å; M67-Y115 VanDerWaalsContact CE-CE2 3.49Å; M67-Y115 HydrophobicContact CE-CG 3.81Å; M67-Y115 HydrophobicContact SD-CD2 4.04Å; M67-Y115 HydrophobicContact SD-CE2 3.73Å; C112-Y115 HydrophobicContact CB-CD2 4.36Å; C112-Y115 CarbonylContact O-C 3.58Å; C112-Y115 VanDerWaalsContact O-C 3.28Å; C112-Y115 PolarHBondContact O-N 3.39Å; Q113-Y115 VanDerWaalsContact C-N 3.28Å; Q113-Y115 PolarHBondContact O-N 3.02Å; Y115-D117 PolarHBondContact O-N 3.34Å; Y115-M118 HydrophobicContact CG-SD 4.43Å; Y115-M118 PolarHBondContact O-N 3.26Å
116	P	93.4	Very high	92.3	Very high	74 Å²	74	39 Å²	39	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18	-173.1	27.9	-36.2	0	0	0	113.6	M118 P141 T144	P116-M118 VanDerWaalsContact C-N 3.26Å; P116-P141 HydrophobicContact CB-CB 3.97Å; P116-P141 HydrophobicContact CG-CB 4.23Å; P116-T144 VanDerWaalsContact O-CB 3.3Å; P116-T144 WeakPolarHBondContact O-CB 3.34Å; P116-T144 PolarHBondContact O-OG1 3.41Å
117	D	94.5	Very high	92	Very high	36 Å²	36	45 Å²	45	19%	0.193	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.6	173	67.9	-23.2	0	0	0	112.9	Y115 K137 C138 P141	Y115-D117 PolarHBondContact O-N 3.34Å; D117-K137 CarbonylContact O-C 3.55Å; D117-K137 WeakPolarHBondContact O-CA 3.26Å; D117-K137 WeakPolarHBondContact OD2-CE 3.47Å; D117-K137 IonicContact OD2-NZ 3.67Å; D117-C138 PolarHBondContact O-N 3.02Å; D117-P141 HydrophobicContact CB-CB 4.48Å
118	M	95.2	Very high	91.8	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.064	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.5	179.3	-65.7	-174.8	-176	0	0	112.2	L43 F63 M67 Y115 P116 Y136 K137	L43-M118 HydrophobicContact CD1-CE 4.2Å; L43-M118 HydrophobicContact CD1-SD 4.14Å; F63-M118 HydrophobicContact CE1-SD 4.45Å; F63-M118 HydrophobicContact CE2-CB 4.28Å; F63-M118 HydrophobicContact CZ-CB 3.72Å; F63-M118 HydrophobicContact CZ-SD 4.08Å; M67-M118 HydrophobicContact CE-CE 4.22Å; M67-M118 HydrophobicContact CE-SD 4.11Å; M67-M118 HydrophobicContact CG-SD 4.05Å; Y115-M118 HydrophobicContact CG-SD 4.43Å; Y115-M118 PolarHBondContact O-N 3.26Å; P116-M118 VanDerWaalsContact C-N 3.26Å; M118-Y136 VanDerWaalsContact CA-O 3.31Å; M118-Y136 WeakPolarHBondContact CA-O 3.42Å; M118-K137 HydrophobicContact CE-CB 4.46Å; M118-K137 HydrophobicContact CE-CD 3.77Å; M118-K137 HydrophobicContact CE-CG 4.08Å; M118-K137 HydrophobicContact CG-CB 4.08Å; M118-K137 HydrophobicContact CG-CG 3.93Å
119	F	94.7	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.6	172.5	65.5	-83.5	0	0	0	110.9	V40 F77 F109 F110 L121 T135 Y136 T144 L147	V40-F119 HydrophobicContact CG1-CE1 4.48Å; F77-F119 HydrophobicContact CD2-CZ 4.5Å; F77-F119 HydrophobicContact CE2-CE2 4.35Å; F77-F119 AromaticContact CE2-CZ 3.77Å; F77-F119 HydrophobicContact CE2-CZ 3.77Å; F77-F119 HydrophobicContact CZ-CZ 4.48Å; F109-F119 HydrophobicContact CD2-CD2 4.39Å; F109-F119 HydrophobicContact CE1-CB 3.76Å; F109-F119 HydrophobicContact CE1-CD2 4.45Å; F109-F119 HydrophobicContact CE1-CG 4.27Å; F109-F119 HydrophobicContact CE2-CB 4.37Å; F109-F119 AromaticContact CE2-CD2 3.54Å; F109-F119 HydrophobicContact CE2-CD2 3.54Å; F109-F119 AromaticContact CE2-CE2 4Å; F109-F119 HydrophobicContact CE2-CE2 4Å; F109-F119 HydrophobicContact CE2-CG 4.04Å; F109-F119 HydrophobicContact CZ-CB 3.58Å; F109-F119 HydrophobicContact CZ-CD1 4.32Å; F109-F119 AromaticContact CZ-CD2 3.58Å; F109-F119 HydrophobicContact CZ-CD2 3.58Å; F109-F119 HydrophobicContact CZ-CE2 4.33Å; F109-F119 AromaticContact CZ-CG 3.57Å; F109-F119 HydrophobicContact CZ-CG 3.57Å; F110-F119 CarbonylContact O-C 3.53Å; F110-F119 VanDerWaalsContact O-CA 3.23Å; F110-F119 WeakPolarHBondContact O-CA 3.33Å; F110-F119 WeakPolarHBondContact O-CB 3.44Å; F119-L121 HydrophobicContact CD2-CD2 4.11Å; F119-L121 HydrophobicContact CD2-CG 4.11Å; F119-L121 HydrophobicContact CE2-CD1 4.2Å; F119-L121 HydrophobicContact CE2-CD2 4.18Å; F119-L121 HydrophobicContact CE2-CG 3.93Å; F119-T135 WeakPolarHBondContact O-CA 3.3Å; F119-Y136 HydrophobicContact CD2-CD2 4.28Å; F119-Y136 HydrophobicContact CE1-CG 4.46Å; F119-Y136 AromaticContact CE2-CD2 3.56Å; F119-Y136 HydrophobicContact CE2-CD2 3.56Å; F119-Y136 HydrophobicContact CE2-CE2 4.47Å; F119-Y136 HydrophobicContact CE2-CG 4.03Å; F119-Y136 AromaticContact CZ-CD2 3.84Å; F119-Y136 HydrophobicContact CZ-CD2 3.84Å; F119-Y136 AromaticContact CZ-CG 3.82Å; F119-Y136 HydrophobicContact CZ-CG 3.82Å; F119-Y136 PolarHBondContact N-O 3.28Å; F119-Y136 PolarHBondContact O-N 2.91Å; F119-T144 HydrophobicContact CB-CG2 3.88Å; F119-T144 HydrophobicContact CD1-CG2 4.06Å; F119-T144 HydrophobicContact CG-CG2 4.34Å; F119-L147 HydrophobicContact CD1-CD1 4.48Å; F119-L147 HydrophobicContact CE1-CD1 3.62Å; F119-L147 HydrophobicContact CZ-CD1 3.7Å
120	M	95	Very high	91.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.9	174.1	-169.6	165.9	70.3	0	0	110.7	L59 L62 F63 F110 C133 E134 T135 I180	L59-M120 HydrophobicContact CD1-CE 3.15Å; L59-M120 HydrophobicContact CD2-CE 4.1Å; L59-M120 HydrophobicContact CG-CE 3.41Å; L59-M120 VanDerWaalsContact CG-CE 3.41Å; L62-M120 HydrophobicContact CD2-SD 4.47Å; F63-M120 HydrophobicContact CD2-CB 4.27Å; F63-M120 HydrophobicContact CD2-SD 4.45Å; F110-M120 HydrophobicContact CB-CB 4.18Å; F110-M120 HydrophobicContact CD2-CB 4.33Å; F110-M120 HydrophobicContact CD2-CE 4.07Å; F110-M120 WeakPolarHBondContact CD2-O 3.34Å; F110-M120 PolarHBondContact N-O 3.46Å; F110-M120 PolarHBondContact O-N 2.89Å; M120-C133 HydrophobicContact CE-CB 4.42Å; M120-C133 HydrophobicContact CG-CB 4.41Å; M120-C133 HydrophobicContact SD-CB 3.97Å; M120-E134 CarbonylContact C-O 3.55Å; M120-E134 VanDerWaalsContact CA-O 3.27Å; M120-E134 WeakPolarHBondContact CA-O 3.4Å; M120-E134 WeakPolarHBondContact CG-O 3.27Å; M120-T135 WeakPolarHBondContact CG-OG1 3.49Å; M120-T135 PolarHBondContact SD-OG1 2.98Å; M120-I180 HydrophobicContact CB-CD1 4.47Å; M120-I180 HydrophobicContact CE-CD1 3.74Å
121	L	95.1	Very high	91.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.3	174	-61.9	-177.9	0	0	0	109.4	I106 H108 F109 F119 V123 C133 E134 Y136 I151	I106-L121 HydrophobicContact CG2-CD2 4.26Å; H108-L121 WeakPolarHBondContact O-CA 3.42Å; F109-L121 HydrophobicContact CB-CD2 4.39Å; F109-L121 HydrophobicContact CD2-CD2 3.25Å; F109-L121 HydrophobicContact CE2-CD2 3.73Å; F109-L121 HydrophobicContact CG-CD2 4.09Å; F119-L121 HydrophobicContact CD2-CD2 4.11Å; F119-L121 HydrophobicContact CD2-CG 4.11Å; F119-L121 HydrophobicContact CE2-CD1 4.2Å; F119-L121 HydrophobicContact CE2-CD2 4.18Å; F119-L121 HydrophobicContact CE2-CG 3.93Å; L121-V123 HydrophobicContact CB-CG2 3.94Å; L121-C133 CarbonylContact O-C 3.57Å; L121-C133 VanDerWaalsContact O-CA 3.3Å; L121-C133 WeakPolarHBondContact O-CA 2.76Å; L121-E134 PolarHBondContact N-O 3.35Å; L121-E134 PolarHBondContact O-N 2.89Å; L121-Y136 HydrophobicContact CD1-CE2 4.13Å; L121-Y136 HydrophobicContact CG-CE2 4.42Å; L121-I151 HydrophobicContact CD2-CD1 4.22Å
122	S	94.5	Very high	91.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.2	156.8	-173.9	0	0	0	0	108.3	E107 H108 S131 Y132	E107-S122 PolarHBondContact N-O 2.74Å; E107-S122 PolarHBondContact OE2-OG 3.28Å; H108-S122 PolarHBondContact N-O 3.07Å; H108-S122 PolarHBondContact O-N 3.45Å; S122-S131 VanDerWaalsContact OG-CB 3.28Å; S122-S131 WeakPolarHBondContact OG-CB 3.45Å; S122-Y132 WeakPolarHBondContact CA-O 3.4Å
123	V	94.4	Very high	92.2	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.4	179.7	-175.4	0	0	0	0	108.5	V101 D105 L121 S125 S131 Y132	V101-V123 HydrophobicContact CG1-CG1 3.87Å; V101-V123 HydrophobicContact CG1-CG2 4.01Å; D105-V123 HydrophobicContact CB-CG1 4.23Å; D105-V123 CarbonylContact O-C 3.54Å; D105-V123 WeakPolarHBondContact O-CA 2.9Å; L121-V123 HydrophobicContact CB-CG2 3.94Å; V123-S125 PolarHBondContact O-N 2.91Å; V123-S131 CarbonylContact O-C 3.56Å; V123-S131 WeakPolarHBondContact O-CA 3.26Å; V123-Y132 PolarHBondContact N-O 2.85Å; V123-Y132 PolarHBondContact O-N 2.87Å
124	K	93.4	Very high	92.7	Very high	126 Å²	126	49 Å²	49	55%	0.548	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	129.2	177.3	-172.9	-179.6	178.9	-174.6	0	110.1	D105	D105-K124 PolarHBondContact O-N 2.92Å
125	S	92.9	Very high	93	Very high	11 Å²	11	46.1 Å²	46.1	8%	0.077	22%	0.22	C	C	.	.			trans	-88.5	170.7	177.4	85.8	0	0	0	0	111.6	V123 Y127 S130 Y132	V123-S125 PolarHBondContact O-N 2.91Å; S125-Y127 WeakPolarHBondContact OG-CB 3.39Å; S125-Y127 PolarHBondContact OG-N 2.9Å; S125-Y127 PolarHBondContact OG-O 3.22Å; S125-S130 WeakPolarHBondContact CB-O 3.34Å; S125-S130 PolarHBondContact N-O 3.17Å; S125-S130 VanDerWaalsContact OG-C 3.23Å; S125-S130 WeakPolarHBondContact OG-CB 3.36Å; S125-S130 PolarHBondContact OG-O 3.05Å; S125-Y132 VanDerWaalsContact CB-CE2 3.5Å
126	E	89.8	Confident	93.2	Very high	175 Å²	175	44 Å²	44	82%	0.818	21%	0.211	S	C	*	.	S	Bend	trans	-73.8	-18.3	169.8	-64.7	167.3	-158.5	0	0	111.5
127	Y	89.4	Confident	93.3	Very high	133 Å²	133	43.8 Å²	43.8	52%	0.522	20%	0.203	S	C	.	.	S	Bend	trans	-83.9	133.1	177.5	-57.7	-74.2	0	0	0	110.5	L47 S125 Y129 S130	L47-Y127 HydrophobicContact CD1-CD2 4.12Å; L47-Y127 HydrophobicContact CD2-CD2 3.74Å; L47-Y127 HydrophobicContact CD2-CE2 4.2Å; L47-Y127 HydrophobicContact CD2-CG 4.39Å; S125-Y127 WeakPolarHBondContact OG-CB 3.39Å; S125-Y127 PolarHBondContact OG-N 2.9Å; S125-Y127 PolarHBondContact OG-O 3.22Å; Y127-Y129 PolarHBondContact O-N 3Å; Y127-S130 PolarHBondContact O-N 3.17Å
128	P	86.8	Confident	93.3	Very high	100 Å²	100	42.2 Å²	42.2	65%	0.649	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	139.3	176.1	-26	34.2	0	0	0	112	S130	P128-S130 PolarHBondContact O-N 2.99Å; P128-S130 PolarHBondContact O-OG 3.06Å
129	Y	86.3	Confident	93.2	Very high	189 Å²	189	50.7 Å²	50.7	74%	0.741	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	22.1	177.1	-44.9	-73.3	0	0	0	114.8	N49 S50 Y127	N49-Y129 CarbonylContact C-O 3.49Å; N49-Y129 WeakPolarHBondContact CA-O 3.21Å; N49-Y129 PolarHBondContact OD1-O 2.83Å; S50-Y129 PolarHBondContact N-O 3.26Å; S50-Y129 PolarHBondContact OG-O 3.47Å; Y127-Y129 PolarHBondContact O-N 3Å
130	S	91.8	Very high	93.1	Very high	27 Å²	27	54.7 Å²	54.7	19%	0.189	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.8	179.9	-52.1	0	0	0	0	111.2	V48 S50 S125 Y127 P128	V48-S130 CarbonylContact O-C 3.28Å; V48-S130 VanDerWaalsContact O-CA 3.25Å; V48-S130 WeakPolarHBondContact O-CA 3.13Å; S50-S130 WeakPolarHBondContact OG-CA 3.19Å; S50-S130 PolarHBondContact OG-N 2.83Å; S125-S130 WeakPolarHBondContact CB-O 3.34Å; S125-S130 PolarHBondContact N-O 3.17Å; S125-S130 VanDerWaalsContact OG-C 3.23Å; S125-S130 WeakPolarHBondContact OG-CB 3.36Å; S125-S130 PolarHBondContact OG-O 3.05Å; Y127-S130 PolarHBondContact O-N 3.17Å; P128-S130 PolarHBondContact O-N 2.99Å; P128-S130 PolarHBondContact O-OG 3.06Å
131	S	93.6	Very high	93	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.3	179.2	-55.3	0	0	0	0	110.2	V48 S50 E107 S122 V123	V48-S131 WeakPolarHBondContact CG2-O 3.39Å; V48-S131 PolarHBondContact N-O 3.41Å; V48-S131 PolarHBondContact O-N 3.27Å; S50-S131 PolarHBondContact OG-OG 3.24Å; E107-S131 VanDerWaalsContact CD-OG 3.29Å; E107-S131 PolarHBondContact OE1-OG 3.01Å; E107-S131 VanDerWaalsContact OE2-CB 3.25Å; E107-S131 WeakPolarHBondContact OE2-CB 3.46Å; E107-S131 PolarHBondContact OE2-OG 3.25Å; S122-S131 VanDerWaalsContact OG-CB 3.28Å; S122-S131 WeakPolarHBondContact OG-CB 3.45Å; V123-S131 CarbonylContact O-C 3.56Å; V123-S131 WeakPolarHBondContact O-CA 3.26Å
132	Y	95.1	Very high	93	Very high	35 Å²	35	58.8 Å²	58.8	14%	0.137	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118	169.9	-71	-69.3	0	0	0	109.5	S46 L47 R98 S122 V123 S125	S46-Y132 WeakPolarHBondContact O-CA 3.26Å; L47-Y132 HydrophobicContact CB-CD1 4.44Å; L47-Y132 HydrophobicContact CB-CE1 4.29Å; L47-Y132 HydrophobicContact CD1-CD1 3.96Å; L47-Y132 HydrophobicContact CD1-CE1 3.77Å; L47-Y132 HydrophobicContact CD1-CE2 4.46Å; L47-Y132 HydrophobicContact CD1-CG 4.38Å; R98-Y132 VanDerWaalsContact NH2-CD2 3.26Å; S122-Y132 WeakPolarHBondContact CA-O 3.4Å; V123-Y132 PolarHBondContact N-O 2.85Å; V123-Y132 PolarHBondContact O-N 2.87Å; S125-Y132 VanDerWaalsContact CB-CE2 3.5Å
133	C	94.6	Very high	93.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.6	166.2	-80	0	0	0	0	109.1	R45 S46 V48 L62 H66 M120 L121	R45-C133 VanDerWaalsContact CA-O 3.27Å; R45-C133 WeakPolarHBondContact CA-O 3.27Å; S46-C133 PolarHBondContact N-O 2.93Å; S46-C133 PolarHBondContact O-N 2.76Å; V48-C133 HydrophobicContact CG2-CB 4.33Å; V48-C133 WeakPolarHBondContact CG2-SG 3.34Å; L62-C133 HydrophobicContact CD2-CB 3.6Å; H66-C133 PolarHBondContact CE1-O 3.18Å; M120-C133 HydrophobicContact CE-CB 4.42Å; M120-C133 HydrophobicContact CG-CB 4.41Å; M120-C133 HydrophobicContact SD-CB 3.97Å; L121-C133 CarbonylContact O-C 3.57Å; L121-C133 VanDerWaalsContact O-CA 3.3Å; L121-C133 WeakPolarHBondContact O-CA 2.76Å
134	E	95	Very high	93.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.9	-175.4	-58.8	-178.2	170.3	0	0	110.8	R45 F97 R98 M120 L121 Y136	R45-E134 HydrophobicContact CB-CG 4.08Å; F97-E134 HydrophobicContact CD2-CB 4.16Å; F97-E134 HydrophobicContact CD2-CG 4.1Å; F97-E134 HydrophobicContact CE2-CB 4.35Å; R98-E134 IonicContact CZ-OE1 2.74Å; R98-E134 IonicContact NE-OE1 2.83Å; R98-E134 PolarHBondContact NE-OE1 3.19Å; R98-E134 IonicContact NE-OE2 3.41Å; R98-E134 IonicContact NH2-OE1 3.63Å; R98-E134 PolarHBondContact NH2-OE1 3.07Å; M120-E134 CarbonylContact C-O 3.55Å; M120-E134 VanDerWaalsContact CA-O 3.27Å; M120-E134 WeakPolarHBondContact CA-O 3.4Å; M120-E134 WeakPolarHBondContact CG-O 3.27Å; L121-E134 PolarHBondContact N-O 3.35Å; L121-E134 PolarHBondContact O-N 2.89Å; E134-Y136 HydrophobicContact CB-CD2 4.42Å; E134-Y136 HydrophobicContact CB-CE2 3.54Å; E134-Y136 PolarHBondContact OE2-OH 2.95Å
135	T	95.5	Very high	93.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.8	-178.8	-52.6	0	0	0	0	111.8	L43 D44 F63 H66 F119 M120	L43-T135 HydrophobicContact CD1-CG2 3.94Å; L43-T135 PolarHBondContact N-O 3.08Å; D44-T135 PolarHBondContact O-N 3.28Å; F63-T135 HydrophobicContact CD2-CG2 4.07Å; F63-T135 HydrophobicContact CE2-CG2 3.81Å; H66-T135 HydrophobicContact CB-CG2 4.38Å; H66-T135 PolarHBondContact ND1-OG1 3.44Å; F119-T135 WeakPolarHBondContact O-CA 3.3Å; M120-T135 WeakPolarHBondContact CG-OG1 3.49Å; M120-T135 PolarHBondContact SD-OG1 2.98Å
136	Y	95.6	Very high	93.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	-178.4	-61	-82.6	0	0	0	111	V40 C41 A42 F77 L86 F97 M118 F119 L121 E134	V40-Y136 HydrophobicContact CG2-CD1 3.97Å; C41-Y136 CarbonylContact O-C 3.54Å; C41-Y136 WeakPolarHBondContact O-CA 3.28Å; A42-Y136 HydrophobicContact CB-CD1 3.88Å; A42-Y136 HydrophobicContact CB-CE1 3.74Å; F77-Y136 HydrophobicContact CE1-CD1 4.17Å; F77-Y136 AromaticContact CE1-CE1 3.99Å; F77-Y136 HydrophobicContact CE1-CE1 3.99Å; F77-Y136 AromaticContact CZ-CD1 3.64Å; F77-Y136 HydrophobicContact CZ-CD1 3.64Å; F77-Y136 HydrophobicContact CZ-CD2 4.26Å; F77-Y136 AromaticContact CZ-CE1 3.55Å; F77-Y136 HydrophobicContact CZ-CE1 3.55Å; F77-Y136 HydrophobicContact CZ-CE2 4.17Å; F77-Y136 AromaticContact CZ-CG 4Å; F77-Y136 HydrophobicContact CZ-CG 4Å; F77-Y136 AromaticContact CZ-CZ 3.82Å; L86-Y136 HydrophobicContact CD2-CE1 4.21Å; F97-Y136 HydrophobicContact CD2-CE1 4.22Å; F97-Y136 AromaticContact CD2-CZ 3.98Å; F97-Y136 WeakPolarHBondContact CD2-OH 3.34Å; F97-Y136 HydrophobicContact CE2-CE1 4.21Å; M118-Y136 VanDerWaalsContact CA-O 3.31Å; M118-Y136 WeakPolarHBondContact CA-O 3.42Å; F119-Y136 HydrophobicContact CD2-CD2 4.28Å; F119-Y136 HydrophobicContact CE1-CG 4.46Å; F119-Y136 AromaticContact CE2-CD2 3.56Å; F119-Y136 HydrophobicContact CE2-CD2 3.56Å; F119-Y136 HydrophobicContact CE2-CE2 4.47Å; F119-Y136 HydrophobicContact CE2-CG 4.03Å; F119-Y136 AromaticContact CZ-CD2 3.84Å; F119-Y136 HydrophobicContact CZ-CD2 3.84Å; F119-Y136 AromaticContact CZ-CG 3.82Å; F119-Y136 HydrophobicContact CZ-CG 3.82Å; F119-Y136 PolarHBondContact N-O 3.28Å; F119-Y136 PolarHBondContact O-N 2.91Å; L121-Y136 HydrophobicContact CD1-CE2 4.13Å; L121-Y136 HydrophobicContact CG-CE2 4.42Å; E134-Y136 HydrophobicContact CB-CD2 4.42Å; E134-Y136 HydrophobicContact CB-CE2 3.54Å; E134-Y136 PolarHBondContact OE2-OH 2.95Å
137	K	95.4	Very high	93.5	Very high	70 Å²	70	58.1 Å²	58.1	30%	0.304	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	174.1	-173.9	-174.7	-170.3	175.5	0	110.1	V40 C41 L43 D117 M118	V40-K137 CarbonylContact C-O 3.53Å; V40-K137 VanDerWaalsContact CA-O 3.24Å; V40-K137 WeakPolarHBondContact CA-O 3.49Å; V40-K137 WeakPolarHBondContact CB-O 3.33Å; C41-K137 HydrophobicContact CB-CB 4.31Å; C41-K137 PolarHBondContact N-O 2.77Å; C41-K137 PolarHBondContact O-N 3.12Å; L43-K137 HydrophobicContact CD1-CB 4.41Å; L43-K137 HydrophobicContact CD2-CB 4.24Å; L43-K137 HydrophobicContact CG-CB 4.43Å; D117-K137 CarbonylContact O-C 3.55Å; D117-K137 WeakPolarHBondContact O-CA 3.26Å; D117-K137 WeakPolarHBondContact OD2-CE 3.47Å; D117-K137 IonicContact OD2-NZ 3.67Å; M118-K137 HydrophobicContact CE-CB 4.46Å; M118-K137 HydrophobicContact CE-CD 3.77Å; M118-K137 HydrophobicContact CE-CG 4.08Å; M118-K137 HydrophobicContact CG-CB 4.08Å; M118-K137 HydrophobicContact CG-CG 3.93Å
138	C	95.3	Very high	93.7	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.027	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.8	170.7	-68.4	0	0	0	0	111.6	D117 D140 D143 T144	D117-C138 PolarHBondContact O-N 3.02Å; C138-D140 WeakPolarHBondContact CB-O 3.37Å; C138-D143 HydrophobicContact CB-CB 4.02Å; C138-T144 PolarHBondContact SG-OG1 2.85Å; C138-T144 VanDerWaalsContact SG-OG1 3.41Å
139	K	92.1	Very high	94	Very high	190 Å²	190	51.8 Å²	51.8	83%	0.826	24%	0.244	S	C	*	.	S	Bend	trans	-74.5	-38.2	169.3	-174.7	-179.4	176.8	-172.7	0	111.4
140	D	92.6	Very high	94.4	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	21%	0.214	S	C	.	.	S	Bend	trans	-121.9	135.4	-179.3	-173.3	73	0	0	0	109.9	C138 G142 D143	C138-D140 WeakPolarHBondContact CB-O 3.37Å; D140-G142 PolarHBondContact O-N 3.44Å; D140-G142 VanDerWaalsContact OD2-CA 3.26Å; D140-G142 WeakPolarHBondContact OD2-CA 3.49Å; D140-G142 PolarHBondContact OD2-N 3.05Å; D140-D143 WeakPolarHBondContact O-CB 3.23Å; D140-D143 PolarHBondContact O-N 2.87Å
141	P	93.4	Very high	94.5	Very high	61 Å²	61	42.9 Å²	42.9	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-26.1	177.2	24.7	-34.4	0	0	0	113.2	P116 D117 D143 T144 Q145	P116-P141 HydrophobicContact CB-CB 3.97Å; P116-P141 HydrophobicContact CG-CB 4.23Å; D117-P141 HydrophobicContact CB-CB 4.48Å; P141-D143 PolarHBondContact O-N 2.93Å; P141-T144 WeakPolarHBondContact O-CB 3.38Å; P141-T144 PolarHBondContact O-N 3.34Å; P141-T144 VanDerWaalsContact O-N 3.16Å; P141-Q145 PolarHBondContact O-N 2.92Å
142	G	95.1	Very high	94.4	Very high	26 Å²	26	46.8 Å²	46.8	27%	0.268	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-28.3	172.8	0	0	0	0	0	113	D140 Q145 R146	D140-G142 PolarHBondContact O-N 3.44Å; D140-G142 VanDerWaalsContact OD2-CA 3.26Å; D140-G142 WeakPolarHBondContact OD2-CA 3.49Å; D140-G142 PolarHBondContact OD2-N 3.05Å; G142-Q145 PolarHBondContact O-N 3.47Å; G142-R146 WeakPolarHBondContact O-CG 3.49Å; G142-R146 PolarHBondContact O-N 2.98Å
143	D	96.2	Very high	94.3	Very high	34 Å²	34	49.3 Å²	49.3	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-37.4	174.6	-66.4	-19.2	0	0	0	111.1	Y36 C38 C138 D140 P141 R146 L147	Y36-D143 WeakPolarHBondContact OH-CA 3.47Å; Y36-D143 WeakPolarHBondContact OH-CB 3.47Å; Y36-D143 VanDerWaalsContact OH-CG 3.24Å; Y36-D143 PolarHBondContact OH-OD1 3.49Å; C38-D143 HydrophobicContact CB-CB 4.09Å; C138-D143 HydrophobicContact CB-CB 4.02Å; D140-D143 WeakPolarHBondContact O-CB 3.23Å; D140-D143 PolarHBondContact O-N 2.87Å; P141-D143 PolarHBondContact O-N 2.93Å; D143-R146 PolarHBondContact O-N 3.42Å; D143-L147 WeakPolarHBondContact O-CB 3.37Å; D143-L147 VanDerWaalsContact O-CG 3.26Å; D143-L147 WeakPolarHBondContact O-CG 3.31Å; D143-L147 PolarHBondContact O-N 2.69Å
144	T	95.3	Very high	94.1	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-47	176.3	-53.9	0	0	0	0	111	F109 M111 P116 F119 C138 P141 L147 C148	F109-T144 HydrophobicContact CE1-CG2 4.45Å; F109-T144 HydrophobicContact CZ-CG2 4.41Å; M111-T144 HydrophobicContact CG-CG2 4.23Å; M111-T144 HydrophobicContact SD-CG2 4.21Å; P116-T144 VanDerWaalsContact O-CB 3.3Å; P116-T144 WeakPolarHBondContact O-CB 3.34Å; P116-T144 PolarHBondContact O-OG1 3.41Å; F119-T144 HydrophobicContact CB-CG2 3.88Å; F119-T144 HydrophobicContact CD1-CG2 4.06Å; F119-T144 HydrophobicContact CG-CG2 4.34Å; C138-T144 PolarHBondContact SG-OG1 2.85Å; C138-T144 VanDerWaalsContact SG-OG1 3.41Å; P141-T144 WeakPolarHBondContact O-CB 3.38Å; P141-T144 PolarHBondContact O-N 3.34Å; P141-T144 VanDerWaalsContact O-N 3.16Å; T144-L147 PolarHBondContact O-N 3.41Å; T144-C148 WeakPolarHBondContact O-CB 3.32Å; T144-C148 PolarHBondContact O-N 2.8Å
145	Q	93.5	Very high	93.6	Very high	120 Å²	120	50 Å²	50	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-63.1	-45.5	178	-175.7	178.9	-12.3	0	0	111.5	P141 G142 L147 C148 E149	P141-Q145 PolarHBondContact O-N 2.92Å; G142-Q145 PolarHBondContact O-N 3.47Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 2.98Å; Q145-C148 WeakPolarHBondContact O-CB 3.45Å; Q145-C148 PolarHBondContact O-N 3.28Å; Q145-E149 PolarHBondContact NE2-OE1 3.44Å; Q145-E149 WeakPolarHBondContact O-CG 3.48Å; Q145-E149 PolarHBondContact O-N 2.92Å
146	R	95.2	Very high	93	Very high	144 Å²	144	54.4 Å²	54.4	54%	0.543	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-40	177	-75	-169.2	-175.5	-163	6.8	112.6	Y36 G142 D143 C148 E149 V150	Y36-R146 HydrophobicContact CD1-CB 4.5Å; Y36-R146 HydrophobicContact CE1-CB 3.94Å; Y36-R146 HydrophobicContact CE2-CB 4.24Å; G142-R146 WeakPolarHBondContact O-CG 3.49Å; G142-R146 PolarHBondContact O-N 2.98Å; D143-R146 PolarHBondContact O-N 3.42Å; R146-C148 VanDerWaalsContact C-N 3.33Å; R146-E149 PolarHBondContact O-N 2.92Å; R146-V150 WeakPolarHBondContact O-CB 3.39Å; R146-V150 VanDerWaalsContact O-CG2 3.25Å; R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 3.36Å
147	L	95.6	Very high	92.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-43.8	175.1	-77.2	172.7	0	0	0	111.3	Y36 F77 F109 F119 D143 T144 Q145 E149 V150 I151	Y36-L147 HydrophobicContact CD1-CD2 4.07Å; Y36-L147 HydrophobicContact CE1-CD2 4.16Å; Y36-L147 HydrophobicContact CE1-CG 4.17Å; F77-L147 HydrophobicContact CD2-CD1 4.24Å; F77-L147 HydrophobicContact CD2-CD2 4.22Å; F109-L147 HydrophobicContact CE2-CB 4.35Å; F109-L147 HydrophobicContact CZ-CB 4.36Å; F119-L147 HydrophobicContact CD1-CD1 4.48Å; F119-L147 HydrophobicContact CE1-CD1 3.62Å; F119-L147 HydrophobicContact CZ-CD1 3.7Å; D143-L147 WeakPolarHBondContact O-CB 3.37Å; D143-L147 VanDerWaalsContact O-CG 3.26Å; D143-L147 WeakPolarHBondContact O-CG 3.31Å; D143-L147 PolarHBondContact O-N 2.69Å; T144-L147 PolarHBondContact O-N 3.41Å; Q145-L147 VanDerWaalsContact C-N 3.35Å; Q145-L147 PolarHBondContact O-N 2.98Å; L147-E149 PolarHBondContact O-N 3.39Å; L147-V150 PolarHBondContact O-N 3.1Å; L147-I151 WeakPolarHBondContact O-CB 3.42Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.25Å; L147-I151 PolarHBondContact O-N 3.36Å
148	C	94	Very high	90.7	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-49.8	175.4	-171	0	0	0	0	111.1	F109 M111 T144 Q145 R146 V150 I151 Y152 M177	F109-C148 HydrophobicContact CD1-CB 4.04Å; F109-C148 HydrophobicContact CE1-CB 3.67Å; F109-C148 HydrophobicContact CZ-CB 4.01Å; M111-C148 HydrophobicContact SD-CB 4.21Å; T144-C148 WeakPolarHBondContact O-CB 3.32Å; T144-C148 PolarHBondContact O-N 2.8Å; Q145-C148 WeakPolarHBondContact O-CB 3.45Å; Q145-C148 PolarHBondContact O-N 3.28Å; R146-C148 VanDerWaalsContact C-N 3.33Å; C148-V150 PolarHBondContact O-N 2.87Å; C148-I151 PolarHBondContact O-N 3.17Å; C148-Y152 VanDerWaalsContact O-CB 3.22Å; C148-Y152 WeakPolarHBondContact O-CB 3.3Å; C148-Y152 PolarHBondContact O-N 2.96Å; C148-M177 PolarHBondContact SG-SD 2.89Å
149	E	93.9	Very high	89	Confident	93 Å²	93	63.4 Å²	63.4	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-44.1	177.8	-70.4	171.1	-167.8	0	0	112.7	Q145 R146 L147 N153	Q145-E149 PolarHBondContact NE2-OE1 3.44Å; Q145-E149 WeakPolarHBondContact O-CG 3.48Å; Q145-E149 PolarHBondContact O-N 2.92Å; R146-E149 PolarHBondContact O-N 2.92Å; L147-E149 PolarHBondContact O-N 3.39Å; E149-N153 VanDerWaalsContact O-CB 3.26Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.22Å; E149-N153 PolarHBondContact O-ND2 3Å
150	V	94.2	Very high	87.4	Confident	19 Å²	19	62.3 Å²	62.3	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-47.5	179.1	169.4	0	0	0	0	110.9	I35 C79 R146 L147 C148 N153 A154	I35-V150 HydrophobicContact CG2-CG1 4.12Å; I35-V150 HydrophobicContact CG2-CG2 4.01Å; C79-V150 HydrophobicContact CB-CG1 3.74Å; R146-V150 WeakPolarHBondContact O-CB 3.39Å; R146-V150 VanDerWaalsContact O-CG2 3.25Å; R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 3.36Å; L147-V150 PolarHBondContact O-N 3.1Å; C148-V150 PolarHBondContact O-N 2.87Å; V150-N153 PolarHBondContact O-N 3Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 3.02Å
151	I	94.3	Very high	85.6	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-50.1	179.4	-70.1	165.4	0	0	0	109.6	I84 Y103 I106 F109 L121 L147 C148 N153 A154 S155	I84-I151 HydrophobicContact CD1-CD1 3.81Å; I84-I151 HydrophobicContact CD1-CG1 3.95Å; Y103-I151 HydrophobicContact CD1-CG1 4.17Å; Y103-I151 HydrophobicContact CE1-CG1 3.92Å; I106-I151 HydrophobicContact CD1-CD1 4.3Å; I106-I151 HydrophobicContact CD1-CG1 4.39Å; I106-I151 HydrophobicContact CD1-CG2 4.12Å; I106-I151 HydrophobicContact CG2-CG2 4.36Å; F109-I151 HydrophobicContact CD2-CD1 3.49Å; F109-I151 VanDerWaalsContact CD2-CD1 3.49Å; F109-I151 HydrophobicContact CE2-CD1 3.55Å; L121-I151 HydrophobicContact CD2-CD1 4.22Å; L147-I151 WeakPolarHBondContact O-CB 3.42Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.25Å; L147-I151 PolarHBondContact O-N 3.36Å; C148-I151 PolarHBondContact O-N 3.17Å; I151-N153 VanDerWaalsContact C-N 3.33Å; I151-N153 PolarHBondContact O-N 3.27Å; I151-A154 PolarHBondContact O-N 3.09Å; I151-S155 VanDerWaalsContact O-CB 3.26Å; I151-S155 WeakPolarHBondContact O-CB 3.41Å; I151-S155 PolarHBondContact O-N 3Å
152	Y	91.6	Very high	83.5	Confident	81 Å²	81	68.7 Å²	68.7	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-41.3	178.5	-180	-108.2	0	0	0	113.1	C148 S155 K156 M177	C148-Y152 VanDerWaalsContact O-CB 3.22Å; C148-Y152 WeakPolarHBondContact O-CB 3.3Å; C148-Y152 PolarHBondContact O-N 2.96Å; Y152-S155 WeakPolarHBondContact O-CB 3.25Å; Y152-S155 PolarHBondContact O-OG 3.2Å; Y152-S155 VanDerWaalsContact O-OG 3.1Å; Y152-K156 HydrophobicContact CE1-CD 4.17Å; Y152-K156 PolarHBondContact O-N 3.32Å; Y152-K156 WeakPolarHBondContact OH-CE 3.48Å; Y152-K156 PolarHBondContact OH-NZ 3Å; Y152-M177 HydrophobicContact CD2-CE 4.37Å; Y152-M177 HydrophobicContact CD2-CG 4.25Å; Y152-M177 HydrophobicContact CD2-SD 4.04Å; Y152-M177 HydrophobicContact CE2-CE 4.32Å; Y152-M177 HydrophobicContact CG-SD 4.18Å
153	N	91.8	Very high	81	Confident	88 Å²	88	77.7 Å²	77.7	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-70.5	-36.5	178.1	-74.4	-35.6	0	0	0	112.8	E149 V150 I151 K157	E149-N153 VanDerWaalsContact O-CB 3.26Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 3.22Å; E149-N153 PolarHBondContact O-ND2 3Å; V150-N153 PolarHBondContact O-N 3Å; I151-N153 VanDerWaalsContact C-N 3.33Å; I151-N153 PolarHBondContact O-N 3.27Å; N153-K157 PolarHBondContact O-N 3.17Å
154	A	89.9	Confident	78.5	Confident	9 Å²	9	83.8 Å²	83.8	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-69.7	-38.2	176.4	0	0	0	0	0	111.6	Y103 V150 I151 K156 K157 S158	Y103-A154 HydrophobicContact CD1-CB 3.98Å; Y103-A154 HydrophobicContact CD2-CB 3.28Å; Y103-A154 HydrophobicContact CE1-CB 4.13Å; Y103-A154 HydrophobicContact CE2-CB 3.46Å; Y103-A154 VanDerWaalsContact CE2-CB 3.46Å; Y103-A154 HydrophobicContact CG-CB 3.57Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 3.02Å; I151-A154 PolarHBondContact O-N 3.09Å; A154-K156 PolarHBondContact O-N 3.47Å; A154-K157 PolarHBondContact O-N 3.36Å; A154-K157 VanDerWaalsContact O-N 3.08Å; A154-S158 PolarHBondContact O-N 3.13Å
155	S	84.3	Confident	76.5	Confident	7 Å²	7	90.5 Å²	90.5	5%	0.049	43%	0.43	C	S	.	.	H	α-helix	trans	-54.9	-48.6	175.2	114.6	0	0	0	0	111.4	I151 Y152 K157 S158 Q175	I151-S155 VanDerWaalsContact O-CB 3.26Å; I151-S155 WeakPolarHBondContact O-CB 3.41Å; I151-S155 PolarHBondContact O-N 3Å; Y152-S155 WeakPolarHBondContact O-CB 3.25Å; Y152-S155 PolarHBondContact O-OG 3.2Å; Y152-S155 VanDerWaalsContact O-OG 3.1Å; S155-K157 VanDerWaalsContact C-N 3.3Å; S155-K157 PolarHBondContact O-N 3.16Å; S155-S158 PolarHBondContact O-N 2.68Å; S155-Q175 VanDerWaalsContact CB-CD 3.43Å; S155-Q175 PolarHBondContact OG-OE1 3.21Å
156	K	83.7	Confident	73.8	Confident	92 Å²	92	90.8 Å²	90.8	40%	0.4	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-26	175.4	-73.5	-178	175.8	177.7	0	115.5	Y152 A154	Y152-K156 HydrophobicContact CE1-CD 4.17Å; Y152-K156 PolarHBondContact O-N 3.32Å; Y152-K156 WeakPolarHBondContact OH-CE 3.48Å; Y152-K156 PolarHBondContact OH-NZ 3Å; A154-K156 PolarHBondContact O-N 3.47Å
157	K	78.9	Confident	71.2	Confident	132 Å²	132	89.5 Å²	89.5	57%	0.574	46%	0.456	S	S	*	.	H	α-helix	trans	-78.8	-35.4	179.9	-74.3	179.4	-179.6	-178	0	111.4	N153 A154 S155 D159 K160 T161	N153-K157 PolarHBondContact O-N 3.17Å; A154-K157 PolarHBondContact O-N 3.36Å; A154-K157 VanDerWaalsContact O-N 3.08Å; S155-K157 VanDerWaalsContact C-N 3.3Å; S155-K157 PolarHBondContact O-N 3.16Å; K157-D159 VanDerWaalsContact C-N 3.27Å; K157-D159 PolarHBondContact O-N 3.43Å; K157-K160 PolarHBondContact O-N 3.18Å; K157-K160 VanDerWaalsContact O-N 3.16Å; K157-T161 PolarHBondContact O-OG1 3.03Å
158	S	64.4	Low	68.6	Low	43 Å²	43	94.7 Å²	94.7	30%	0.301	49%	0.487	S	S	.	.	H	α-helix	trans	-55.6	-46.1	176.8	-161.8	0	0	0	0	110.7	A154 S155 K160 T161	A154-S158 PolarHBondContact O-N 3.13Å; S155-S158 PolarHBondContact O-N 2.68Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 3.37Å; S158-T161 PolarHBondContact O-N 3.41Å
159	D	58.6	Low	65.7	Low	87 Å²	87	102.8 Å²	102.8	47%	0.465	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-25.1	-179.1	-63.4	-12.2	0	0	0	114.3	K157	K157-D159 VanDerWaalsContact C-N 3.27Å; K157-D159 PolarHBondContact O-N 3.43Å
160	K	59.1	Low	62.9	Low	168 Å²	168	103.6 Å²	103.6	73%	0.73	54%	0.54	S	S	*	.	H	α-helix	trans	-81.1	-18.8	-178.4	-69.9	-178.2	-178.5	-174.9	0	113	K157 S158	K157-K160 PolarHBondContact O-N 3.18Å; K157-K160 VanDerWaalsContact O-N 3.16Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 3.37Å
161	T	55	Low	59.8	Low	125 Å²	125	108.2 Å²	108.2	77%	0.767	57%	0.571	S	S	*	*	H	α-helix	trans	-89	-14.3	-175.3	-40.3	0	0	0	0	111.9	K157 S158	K157-T161 PolarHBondContact O-OG1 3.03Å; S158-T161 PolarHBondContact O-N 3.41Å
162	E	50.1	Low	57.1	Low	153 Å²	153	115.6 Å²	115.6	72%	0.715	61%	0.61	S	S	*	*			trans	-94.1	12.9	-176.6	-69.6	-173.8	163.9	0	0	114.8	D164	E162-D164 PolarHBondContact O-N 3.45Å
163	R	42.4	Very low	54.5	Low	216 Å²	216	120.4 Å²	120.4	82%	0.815	63%	0.632	S	S	*	*			trans	-91.9	84.1	-179.3	-68.2	-165.2	-178.7	-171.4	-1	113.1
164	D	43.2	Very low	51.8	Low	161 Å²	161	120.4 Å²	120.4	86%	0.861	64%	0.644	S	S	*	*	S	Bend	trans	-136.7	12.2	156.3	-105	-16.6	0	0	0	114	E162	E162-D164 PolarHBondContact O-N 3.45Å
165	I	53.1	Low	49.9	Very low	143 Å²	143	122.4 Å²	122.4	73%	0.733	65%	0.652	S	S	*	*	S	Bend	trans	-150.2	127.4	169.3	-51.6	176.9	0	0	0	109.5	S167	I165-S167 PolarHBondContact O-N 3.26Å; I165-S167 VanDerWaalsContact O-N 3.13Å
166	P	37.1	Very low	48.4	Very low	127 Å²	127	124.9 Å²	124.9	83%	0.825	67%	0.669	S	S	*	*			trans	-78.9	95	171.2	31.3	-28.3	0	0	0	108.9
167	S	40.5	Very low	47.3	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	67%	0.672	S	S	*	*			trans	-82.4	122.5	169.2	-166	0	0	0	0	110.1	I165	I165-S167 PolarHBondContact O-N 3.26Å; I165-S167 VanDerWaalsContact O-N 3.13Å
168	V	39.7	Very low	47	Very low	111 Å²	111	120.4 Å²	120.4	67%	0.673	66%	0.657	S	S	*	*			trans	-58.2	135.3	170.5	173.7	0	0	0	0	109.7
169	E	34.9	Very low	47.4	Very low	176 Å²	176	124 Å²	124	82%	0.822	67%	0.665	S	S	*	*			trans	65.1	93.6	159.4	-68.9	166.7	-164.2	0	0	120
170	S	33.4	Very low	48.1	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	64%	0.643	S	S	*	*				-164.6	112.4	123.9	66	0	0	0	0	110.6
171	P	30.6	Very low	48.5	Very low	116 Å²	116	114 Å²	114	75%	0.753	62%	0.619	S	S	*	*			trans	-74.4	148.2	162.2	31.7	-26.9	0	0	0	107.8
172	L	38	Very low	48.9	Very low	167 Å²	167	108.2 Å²	108.2	87%	0.874	58%	0.584	S	S	*	*			trans	106.4	53.1	178.7	-53.5	167.4	0	0	0	116
173	K	35.5	Very low	49	Very low	182 Å²	182	107.7 Å²	107.7	79%	0.791	58%	0.581	S	S	*	*			trans	-144.9	63.4	150.5	-103.5	-175.5	-174.7	-179.4	0	110.7
174	A	34.7	Very low	49.4	Very low	88 Å²	88	101.2 Å²	101.2	73%	0.727	56%	0.562	S	S	*	*			trans	-88.3	106.1	155.2	0	0	0	0	0	106	S176	A174-S176 PolarHBondContact O-N 2.98Å
175	Q	49.9	Very low	49.6	Very low	51 Å²	51	95 Å²	95	24%	0.238	53%	0.531	C	S	.	.			trans	-48.9	102.6	172.7	-80.3	150.5	-35.4	0	0	108.9	S155	S155-Q175 VanDerWaalsContact CB-CD 3.43Å; S155-Q175 PolarHBondContact OG-OE1 3.21Å
176	S	52.7	Low	49.1	Very low	59 Å²	59	92.9 Å²	92.9	41%	0.413	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.4	-163.3	-175.9	0	0	0	0	109.4	H108 A174	H108-S176 PolarHBondContact ND1-O 3.22Å; A174-S176 PolarHBondContact O-N 2.98Å
177	M	62.1	Low	49.7	Very low	92 Å²	92	92.7 Å²	92.7	45%	0.453	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.8	163.7	-60	-174.2	-57.5	0	0	107.6	C148 Y152	C148-M177 PolarHBondContact SG-SD 2.89Å; Y152-M177 HydrophobicContact CD2-CE 4.37Å; Y152-M177 HydrophobicContact CD2-CG 4.25Å; Y152-M177 HydrophobicContact CD2-SD 4.04Å; Y152-M177 HydrophobicContact CE2-CE 4.32Å; Y152-M177 HydrophobicContact CG-SD 4.18Å
178	S	72.7	Confident	50.2	Low	37 Å²	37	88.2 Å²	88.2	26%	0.259	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.2	179.5	52.6	0	0	0	0	112	F109 F110 M111	F109-S178 PolarHBondContact O-N 2.98Å; F110-S178 WeakPolarHBondContact CA-O 3.49Å; F110-S178 WeakPolarHBondContact CD1-OG 3.32Å; F110-S178 WeakPolarHBondContact CE1-OG 3.26Å; M111-S178 PolarHBondContact N-O 3.41Å
179	Y	73.2	Confident	50.2	Low	118 Å²	118	88 Å²	88	46%	0.463	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.2	-177.7	-71	-85.6	0	0	0	110.8	R56 M111 Q113	R56-Y179 PolarHBondContact NE-O 2.77Å; R56-Y179 VanDerWaalsContact NE-O 3.12Å; R56-Y179 PolarHBondContact NH2-O 2.54Å; M111-Y179 HydrophobicContact CB-CD1 4.08Å; M111-Y179 HydrophobicContact CB-CE1 4.08Å; M111-Y179 HydrophobicContact CE-CE1 3.83Å; M111-Y179 CarbonylContact O-C 3.54Å; M111-Y179 VanDerWaalsContact O-CA 3.28Å; M111-Y179 WeakPolarHBondContact O-CA 3.4Å; Q113-Y179 HydrophobicContact CG-CD1 3.84Å; Q113-Y179 HydrophobicContact CG-CE1 4.26Å
180	I	72	Confident	50.6	Low	2 Å²	2	86.8 Å²	86.8	1%	0.01	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.4	169	-62.6	169.9	0	0	0	107.3	L59 S60 F63 F110 M111 M120 T182	L59-I180 HydrophobicContact CD2-CD1 3.9Å; L59-I180 HydrophobicContact CD2-CG1 3.73Å; L59-I180 HydrophobicContact CG-CD1 4.01Å; L59-I180 HydrophobicContact CG-CG1 4.19Å; S60-I180 WeakPolarHBondContact OG-CG2 3.46Å; F63-I180 HydrophobicContact CB-CD1 4.28Å; F63-I180 HydrophobicContact CB-CG2 4.39Å; F63-I180 HydrophobicContact CD2-CD1 3.87Å; F63-I180 HydrophobicContact CG-CD1 4.25Å; F110-I180 HydrophobicContact CB-CD1 3.51Å; F110-I180 HydrophobicContact CB-CG1 3.86Å; F110-I180 HydrophobicContact CD1-CG1 4.29Å; F110-I180 HydrophobicContact CG-CD1 4.07Å; F110-I180 HydrophobicContact CG-CG1 4.28Å; M111-I180 PolarHBondContact O-N 3.4Å; M120-I180 HydrophobicContact CB-CD1 4.47Å; M120-I180 HydrophobicContact CE-CD1 3.74Å; I180-T182 HydrophobicContact CG2-CG2 4.23Å
181	D	68.3	Low	51.2	Low	43 Å²	43	88.6 Å²	88.6	23%	0.23	48%	0.481	C	S	.	.			trans	-106.7	110.6	173	-179	-14.2	0	0	0	107.8	S60 Q183 I184	S60-D181 WeakPolarHBondContact CB-O 3.47Å; S60-D181 PolarHBondContact OG-O 2.83Å; D181-Q183 VanDerWaalsContact C-N 3.31Å; D181-Q183 VanDerWaalsContact OD1-CB 3.3Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.49Å; D181-Q183 PolarHBondContact OD1-N 3.38Å; D181-I184 HydrophobicContact CB-CD1 4.08Å; D181-I184 HydrophobicContact CB-CG1 4.37Å
182	T	63.7	Low	51.8	Low	4 Å²	4	87.6 Å²	87.6	3%	0.025	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-82.3	-11.1	-177.3	51.5	0	0	0	0	112.9	F63 I64 C112 E114 I180 I184 S185	F63-T182 HydrophobicContact CD1-CG2 4.04Å; I64-T182 HydrophobicContact CD1-CG2 4.32Å; I64-T182 HydrophobicContact CG1-CG2 4.08Å; C112-T182 WeakPolarHBondContact SG-CG2 3.33Å; E114-T182 PolarHBondContact OE2-OG1 3.2Å; I180-T182 HydrophobicContact CG2-CG2 4.23Å; T182-I184 VanDerWaalsContact C-N 3.28Å; T182-I184 PolarHBondContact O-N 2.68Å; T182-S185 PolarHBondContact O-N 3.23Å
183	Q	51.1	Low	51.8	Low	142 Å²	142	87.5 Å²	87.5	66%	0.664	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-75.6	-17.7	-177.2	-54.5	-176.3	26.7	0	0	112.8	E114 D181 S185	E114-Q183 PolarHBondContact OE1-NE2 2.63Å; D181-Q183 VanDerWaalsContact C-N 3.31Å; D181-Q183 VanDerWaalsContact OD1-CB 3.3Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.49Å; D181-Q183 PolarHBondContact OD1-N 3.38Å; Q183-S185 VanDerWaalsContact C-N 3.29Å; Q183-S185 PolarHBondContact O-N 3.27Å
184	I	50.5	Low	52	Low	81 Å²	81	85 Å²	85	42%	0.415	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-74.6	-21.4	177.4	-51.2	172.9	0	0	0	111.6	N57 D181 T182 S186	N57-I184 WeakPolarHBondContact OD1-CG2 3.37Å; D181-I184 HydrophobicContact CB-CD1 4.08Å; D181-I184 HydrophobicContact CB-CG1 4.37Å; T182-I184 VanDerWaalsContact C-N 3.28Å; T182-I184 PolarHBondContact O-N 2.68Å; I184-S186 PolarHBondContact O-N 3.32Å; I184-S186 VanDerWaalsContact O-N 3.13Å
185	S	49.1	Very low	52.3	Low	30 Å²	30	84.7 Å²	84.7	21%	0.21	45%	0.45	C	S	.	.	S	Bend	trans	-78.2	101.1	173.7	-171.5	0	0	0	0	108.8	T182 Q183 D187 V188	T182-S185 PolarHBondContact O-N 3.23Å; Q183-S185 VanDerWaalsContact C-N 3.29Å; Q183-S185 PolarHBondContact O-N 3.27Å; S185-D187 PolarHBondContact O-N 3.16Å; S185-V188 WeakPolarHBondContact O-CG2 3.22Å; S185-V188 PolarHBondContact O-N 2.9Å
186	S	42.4	Very low	51.8	Low	99 Å²	99	93.3 Å²	93.3	69%	0.692	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-8.2	-177.8	49.9	0	0	0	0	115.3	I184	I184-S186 PolarHBondContact O-N 3.32Å; I184-S186 VanDerWaalsContact O-N 3.13Å
187	D	49.5	Very low	51	Low	122 Å²	122	95 Å²	95	65%	0.652	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.7	176.5	-65.3	-32.5	0	0	0	114.2	S185	S185-D187 PolarHBondContact O-N 3.16Å
188	V	49.6	Very low	49.9	Very low	23 Å²	23	97 Å²	97	14%	0.139	50%	0.504	C	S	.	.	S	Bend	trans	-92.1	-23.6	-172.1	-175.3	0	0	0	0	113.2	I64 S185 N190 K191	I64-V188 HydrophobicContact CD1-CG2 3.39Å; I64-V188 HydrophobicContact CG1-CG2 4.3Å; S185-V188 WeakPolarHBondContact O-CG2 3.22Å; S185-V188 PolarHBondContact O-N 2.9Å; V188-N190 PolarHBondContact O-N 2.98Å; V188-K191 PolarHBondContact O-N 3.46Å
189	T	41.2	Very low	48.2	Very low	106 Å²	106	99.8 Å²	99.8	65%	0.65	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.1	-177.2	39.5	0	0	0	0	114
190	N	42.8	Very low	46.3	Very low	150 Å²	150	100.9 Å²	100.9	80%	0.802	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-2.9	176.3	-84.4	-31.9	0	0	0	115.3	V188	V188-N190 PolarHBondContact O-N 2.98Å
191	K	46.1	Very low	44.6	Very low	149 Å²	149	105.6 Å²	105.6	65%	0.648	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-7.9	179	-67.4	-178.9	-178.4	171.4	0	114	V188 L193 L194	V188-K191 PolarHBondContact O-N 3.46Å; K191-L193 PolarHBondContact O-N 2.84Å; K191-L193 VanDerWaalsContact O-N 3.08Å; K191-L194 PolarHBondContact O-N 2.62Å; K191-L194 VanDerWaalsContact O-N 3.15Å
192	N	43.9	Very low	43.2	Very low	95 Å²	95	111.2 Å²	111.2	51%	0.508	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	0.7	-179.7	-76.6	-22.2	0	0	0	115.1
193	L	36.8	Very low	42.1	Very low	164 Å²	164	118.4 Å²	118.4	86%	0.859	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-8.7	169.5	-78.8	160.3	0	0	0	114.1	K191	K191-L193 PolarHBondContact O-N 2.84Å; K191-L193 VanDerWaalsContact O-N 3.08Å
194	L	40.2	Very low	41.6	Very low	131 Å²	131	119.1 Å²	119.1	69%	0.686	65%	0.646	S	S	*	*	S	Bend	trans	-103.1	-7.6	-178.2	-70.5	168.2	0	0	0	114.6	K191 R196 S197	K191-L194 PolarHBondContact O-N 2.62Å; K191-L194 VanDerWaalsContact O-N 3.15Å; L194-R196 VanDerWaalsContact C-N 3.28Å; L194-R196 PolarHBondContact O-N 3.1Å; L194-S197 PolarHBondContact O-N 3.45Å
195	N	41.6	Very low	40.8	Very low	81 Å²	81	118.2 Å²	118.2	43%	0.433	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-81.1	2.6	-179	-89	-10.4	0	0	0	115.1	S197	N195-S197 PolarHBondContact O-N 3.24Å
196	R	38	Very low	40.1	Very low	231 Å²	231	129 Å²	129	87%	0.872	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-77.8	-7.5	168.7	-149.7	177.1	-159.6	-152.3	4	113.2	L194	L194-R196 VanDerWaalsContact C-N 3.28Å; L194-R196 PolarHBondContact O-N 3.1Å
197	S	35.6	Very low	40	Very low	95 Å²	95	128.4 Å²	128.4	66%	0.664	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-107.5	2.9	-172.2	-59.4	0	0	0	0	115	L194 N195	L194-S197 PolarHBondContact O-N 3.45Å; N195-S197 PolarHBondContact O-N 3.24Å
198	L	39.6	Very low	39.7	Very low	133 Å²	133	128.2 Å²	128.2	70%	0.696	70%	0.697	S	S	*	*	S	Bend	trans	-103.8	1.8	-176.8	-66.7	176.8	0	0	0	115
199	S	36.2	Very low	39.3	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	0.3	177.6	46.2	0	0	0	0	115.1
200	N	35.1	Very low	39.2	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	11.3	-172.1	-73.9	-12	0	0	0	116.2
201	S	34.7	Very low	38.8	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	75%	0.746	S	S	*	*	S	Bend	trans	-118.6	26.6	-174.7	-169.1	0	0	0	0	115
202	L	40.3	Very low	38.4	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	75%	0.754	S	S	*	*	S	Bend	trans	-123	14.2	171.1	-84	167.2	0	0	0	113.6
203	N	40	Very low	38.1	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	77%	0.767	S	S	*	*			trans	-110.2	7.1	-177.1	-115.1	14.5	0	0	0	115.5	G205	N203-G205 PolarHBondContact O-N 2.96Å; N203-G205 VanDerWaalsContact O-N 3.08Å
204	D	40.1	Very low	38.3	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	76%	0.764	S	S	*	*	S	Bend	trans	-81.7	95.1	174.8	-74.8	-30.8	0	0	0	111.5
205	G	33.1	Very low	38.3	Very low	62 Å²	62	142 Å²	142	64%	0.639	77%	0.769	S	S	*	*				71.8	66.6	125.9	0	0	0	0	0	116.7	N203 A207	N203-G205 PolarHBondContact O-N 2.96Å; N203-G205 VanDerWaalsContact O-N 3.08Å; G205-A207 PolarHBondContact O-N 2.82Å
206	W	34.7	Very low	38	Very low	257 Å²	257	143.8 Å²	143.8	97%	0.973	79%	0.785	S	S	*	*			trans	-69.1	77	150.2	-68.5	90.2	0	0	0	109
207	A	40.8	Very low	38.2	Very low	85 Å²	85	140.6 Å²	140.6	70%	0.702	78%	0.783	S	S	*	*			trans	-118.2	123.8	171.5	0	0	0	0	0	109.7	G205	G205-A207 PolarHBondContact O-N 2.82Å
208	T	44	Very low	38.1	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	79%	0.792	S	S	*	*			trans	-52.9	143.4	176.8	36.6	0	0	0	0	112.9	K210	T208-K210 PolarHBondContact O-N 2.91Å; T208-K210 VanDerWaalsContact O-N 3.12Å
209	P	40	Very low	38.1	Very low	129 Å²	129	146.3 Å²	146.3	84%	0.838	80%	0.801	S	S	*	*			trans	-73.5	108.5	167.3	28.5	-25.8	0	0	0	108	L211	P209-L211 PolarHBondContact O-N 2.66Å
210	K	38.9	Very low	38.1	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	80%	0.801	S	S	*	*			trans	-71.7	120.4	164.9	-81.9	-176.6	175.7	178.4	0	108.6	T208 H212	T208-K210 PolarHBondContact O-N 2.91Å; T208-K210 VanDerWaalsContact O-N 3.12Å; K210-H212 PolarHBondContact O-N 3.11Å
211	L	35.9	Very low	38.2	Very low	174 Å²	174	145.6 Å²	145.6	91%	0.911	80%	0.802	S	S	*	*			trans	-48.1	127.6	161.4	-76.8	149.1	0	0	0	110.3	P209	P209-L211 PolarHBondContact O-N 2.66Å
212	H	37.4	Very low	38.6	Very low	178 Å²	178	147.8 Å²	147.8	82%	0.824	81%	0.806	S	S	*	*			trans	-134.1	118.1	152.9	-143.1	-75.6	0	0	0	108.8	K210	K210-H212 PolarHBondContact O-N 3.11Å
213	N	36.4	Very low	38.4	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	80%	0.804	S	S	*	*			trans	-49.1	143.2	158.1	-94.7	-18.9	0	0	0	109.6
214	E	42.7	Very low	38.4	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	80%	0.8	S	S	*	*				-178	113.4	114.1	-87.3	-159.3	144.9	0	0	110
215	S	38.9	Very low	38.5	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	80%	0.802	S	S	*	*			trans	70	142.1	139.2	-53.2	0	0	0	0	122.5
216	P	36.3	Very low	38.8	Very low	118 Å²	118	151.7 Å²	151.7	77%	0.766	82%	0.815	S	S	*	*			trans	-106.1	148.8	-163.9	34.8	-19.9	0	0	0	113.5
217	I	42.1	Very low	38.9	Very low	164 Å²	164	144.4 Å²	144.4	84%	0.841	80%	0.803	S	S	*	*			trans	-112.1	116.8	164.7	-62.6	177.3	0	0	0	108.2
218	Q	33.7	Very low	38.7	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	81%	0.807	S	S	*	*			trans	-71	138	166.8	-65.8	177.4	-42.3	0	0	109.3
219	L	39.8	Very low	38.2	Very low	169 Å²	169	148.2 Å²	148.2	89%	0.885	81%	0.813	S	S	*	*			trans	-156.6	120.8	145.6	-101.4	141.5	0	0	0	110.1
220	S	34.5	Very low	37.8	Very low	98 Å²	98	149.8 Å²	149.8	69%	0.685	81%	0.814	S	S	*	*			trans	-72.4	148.3	-178.1	-28.9	0	0	0	0	111.6
221	T	39	Very low	37.6	Very low	126 Å²	126	145.6 Å²	145.6	77%	0.773	81%	0.809	S	S	*	*				161.1	132.5	113.3	34.6	0	0	0	0	113.1
222	D	41.3	Very low	37.6	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	81%	0.806	S	S	*	*			trans	62.6	108.4	143.3	-66.7	-11.8	0	0	0	123.6
223	S	37.7	Very low	37.5	Very low	115 Å²	115	150.1 Å²	150.1	80%	0.804	81%	0.808	S	S	*	*				122.7	130.2	109.3	-90.1	0	0	0	0	116.4
224	P	38.3	Very low	37.5	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	81%	0.806	S	S	*	*			trans	-102.3	144.2	-173.7	37.9	-29.7	0	0	0	113
225	V	43.4	Very low	37.7	Very low	146 Å²	146	145.6 Å²	145.6	89%	0.885	80%	0.804	S	S	*	*			trans	-136.2	106.4	161.4	-177	0	0	0	0	110.9
226	R	39.8	Very low	37.9	Very low	240 Å²	240	146.5 Å²	146.5	91%	0.906	81%	0.805	S	S	*	*			trans	16.1	124.3	142	-118.6	170.4	173.4	179.6	-2.8	119.6
227	S	36.7	Very low	38.2	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	81%	0.809	S	S	*	*			trans	-75.6	173.4	169.3	41.3	0	0	0	0	114.1
228	P	36	Very low	38.5	Very low	121 Å²	121	147.5 Å²	147.5	79%	0.786	80%	0.804	S	S	*	*				-135.9	127.2	116.5	33.7	-20.1	0	0	0	114.5
229	L	33.4	Very low	39.2	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	80%	0.804	S	S	*	*			trans	7.6	114.3	139.4	-70.2	149	0	0	0	118.1
230	L	32.8	Very low	39.4	Very low	163 Å²	163	144.9 Å²	144.9	85%	0.853	80%	0.8	S	S	*	*			trans	-110.2	103.6	148.4	-95.6	157.1	0	0	0	107.7
231	S	34.3	Very low	39.7	Very low	108 Å²	108	145 Å²	145	76%	0.755	80%	0.8	S	S	*	*			trans	-86.5	103.8	171.7	-173.6	0	0	0	0	108.4
232	Y	35.2	Very low	40.1	Very low	216 Å²	216	149.9 Å²	149.9	85%	0.847	81%	0.805	S	S	*	*			trans	-86.6	106.5	163.5	-108.2	-93.1	0	0	0	108.3	S234	Y232-S234 PolarHBondContact O-N 3.43Å
233	R	35.2	Very low	40.4	Very low	232 Å²	232	150.4 Å²	150.4	88%	0.875	81%	0.807	S	S	*	*			trans	-72.9	115.2	173.2	-156.5	177.8	-170.4	-179.1	2.2	107.8
234	S	36.4	Very low	40.6	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-56.7	141	171.7	-76.2	0	0	0	0	110.8	Y232 V236	Y232-S234 PolarHBondContact O-N 3.43Å; S234-V236 PolarHBondContact O-N 2.91Å
235	P	48.2	Very low	40.6	Very low	119 Å²	119	153.3 Å²	153.3	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.8	131.2	167.8	-13.7	27.7	0	0	0	109.2	H237	P235-H237 PolarHBondContact O-N 3.41Å
236	V	42.2	Very low	40.3	Very low	131 Å²	131	153.1 Å²	153.1	79%	0.794	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-59	127.4	174	172.9	0	0	0	0	109.1	S234 T238	S234-V236 PolarHBondContact O-N 2.91Å; V236-T238 PolarHBondContact O-N 3.45Å; V236-T238 VanDerWaalsContact O-N 3.12Å
237	H	43.1	Very low	40.2	Very low	186 Å²	186	149.5 Å²	149.5	86%	0.861	79%	0.792	S	S	*	*			trans	-67.8	103.7	169.5	-76.2	-60.4	0	0	0	109.6	P235	P235-H237 PolarHBondContact O-N 3.41Å
238	T	47.7	Very low	40	Very low	118 Å²	118	150 Å²	150	72%	0.724	79%	0.793	S	S	*	*			trans	-76.6	127	157.9	41.6	0	0	0	0	108.8	V236 M240	V236-T238 PolarHBondContact O-N 3.45Å; V236-T238 VanDerWaalsContact O-N 3.12Å; T238-M240 PolarHBondContact O-N 2.97Å
239	P	48.7	Very low	39.8	Very low	129 Å²	129	151.1 Å²	151.1	84%	0.838	79%	0.791	S	S	*	*			trans	-69.9	103	170.6	27.7	-29.2	0	0	0	107.9	S241	P239-S241 PolarHBondContact O-N 3.44Å
240	M	43.3	Very low	39.9	Very low	163 Å²	163	149.4 Å²	149.4	80%	0.803	79%	0.787	S	S	*	*			trans	-70.5	118.3	173.6	-146.5	170.5	78.1	0	0	107.8	T238 R242	T238-M240 PolarHBondContact O-N 2.97Å; M240-R242 PolarHBondContact O-N 3.3Å
241	S	42	Very low	40	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	78%	0.78	S	S	*	*			trans	-51	127.9	177.6	-163.2	0	0	0	0	110.1	P239 D243	P239-S241 PolarHBondContact O-N 3.44Å; S241-D243 PolarHBondContact O-N 2.87Å; S241-D243 VanDerWaalsContact O-N 3.16Å
242	R	46.2	Very low	39.9	Very low	229 Å²	229	147.3 Å²	147.3	86%	0.864	78%	0.776	S	S	*	*	S	Bend	trans	-65.4	109.2	162.9	-75.4	177.3	167.7	162.5	-4	106	M240	M240-R242 PolarHBondContact O-N 3.3Å
243	D	49.1	Very low	39.8	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	77%	0.772	S	S	*	*			trans	147.1	65.7	157.8	-72.7	-18.4	0	0	0	110.6	S241	S241-D243 PolarHBondContact O-N 2.87Å; S241-D243 VanDerWaalsContact O-N 3.16Å
244	T	40.4	Very low	39.8	Very low	116 Å²	116	138.3 Å²	138.3	71%	0.712	77%	0.765	S	S	*	*			trans	-148.4	105.6	153.5	20.7	0	0	0	0	107.4	I246	T244-I246 PolarHBondContact O-N 3.33Å
245	M	37.8	Very low	39.6	Very low	177 Å²	177	140.6 Å²	140.6	87%	0.872	77%	0.769	S	S	*	*			trans	-58.3	98.4	165.4	-82.8	179.7	75.1	0	0	108.3	K247	M245-K247 PolarHBondContact O-N 3.19Å; M245-K247 VanDerWaalsContact O-N 3.11Å
246	I	38.5	Very low	39.1	Very low	142 Å²	142	139.2 Å²	139.2	73%	0.728	76%	0.759	S	S	*	*			trans	-75.5	97.5	162.7	-58.4	176.4	0	0	0	105.6	T244	T244-I246 PolarHBondContact O-N 3.33Å
247	K	37.1	Very low	38.9	Very low	165 Å²	165	138.4 Å²	138.4	72%	0.717	75%	0.754	S	S	*	*			trans	-60.9	132	164.8	-85	177.8	175.3	177.3	0	107.4	M245 L249	M245-K247 PolarHBondContact O-N 3.19Å; M245-K247 VanDerWaalsContact O-N 3.11Å; K247-L249 PolarHBondContact O-N 3.43Å; K247-L249 VanDerWaalsContact O-N 3.1Å
248	P	32.6	Very low	38.7	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	75%	0.748	S	S	*	*			trans	-59.1	121.3	171.8	24.1	-29.9	0	0	0	107.8	V250	P248-V250 PolarHBondContact O-N 3.37Å
249	L	32.9	Very low	38.4	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	73%	0.734	S	S	*	*			trans	-65.3	109.6	170.2	-147.1	86.7	0	0	0	106.1	K247 V251	K247-L249 PolarHBondContact O-N 3.43Å; K247-L249 VanDerWaalsContact O-N 3.1Å; L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 HydrophobicContact CD2-CG2 4.44Å; L249-V251 PolarHBondContact O-N 3.06Å
250	V	34.9	Very low	38	Very low	125 Å²	125	131.6 Å²	131.6	76%	0.758	72%	0.722	S	S	*	*			trans	-70.6	98	168.7	177.6	0	0	0	0	105.7	P248 T252	P248-V250 PolarHBondContact O-N 3.37Å; V250-T252 PolarHBondContact O-N 3Å
251	V	35	Very low	37.9	Very low	117 Å²	117	126.8 Å²	126.8	71%	0.709	71%	0.707	S	S	*	*			trans	-75.2	102	166.9	-179.1	0	0	0	0	105.9	L249	L249-V251 VanDerWaalsContact C-N 3.33Å; L249-V251 HydrophobicContact CD2-CG2 4.44Å; L249-V251 PolarHBondContact O-N 3.06Å
252	T	32.5	Very low	38	Very low	109 Å²	109	129.7 Å²	129.7	67%	0.669	70%	0.704	S	S	*	*			trans	-60.1	123.7	165.5	-10.3	0	0	0	0	106.9	V250 I254	V250-T252 PolarHBondContact O-N 3Å; T252-I254 PolarHBondContact O-N 3.29Å
253	P	33.3	Very low	38.1	Very low	116 Å²	116	121 Å²	121	75%	0.753	68%	0.676	S	S	*	*			trans	-62.2	109.4	171.8	25.4	-30.2	0	0	0	106.8	N255	P253-N255 PolarHBondContact O-N 3.44Å
254	I	34.3	Very low	38.2	Very low	143 Å²	143	119.2 Å²	119.2	73%	0.733	68%	0.676	S	S	*	*			trans	-59.9	131.5	164.4	-64.9	172	0	0	0	105.1	T252 T256	T252-I254 PolarHBondContact O-N 3.29Å; I254-T256 PolarHBondContact O-N 3.34Å
255	N	32.9	Very low	38.8	Very low	152 Å²	152	117.6 Å²	117.6	81%	0.813	66%	0.663	S	S	*	*			trans	-54.5	80	171.9	-103.8	-17.1	0	0	0	109.8	P253 V257	P253-N255 PolarHBondContact O-N 3.44Å; N255-V257 PolarHBondContact O-N 3.26Å; N255-V257 VanDerWaalsContact O-N 3.13Å
256	T	37.6	Very low	39.7	Very low	90 Å²	90	114.2 Å²	114.2	55%	0.552	66%	0.655	S	S	*	*			trans	-85	83.5	164.5	55.3	0	0	0	0	106.3	I254 N258	I254-T256 PolarHBondContact O-N 3.34Å; T256-N258 PolarHBondContact O-N 3.08Å; T256-N258 VanDerWaalsContact O-N 3.17Å
257	V	38	Very low	40.7	Very low	114 Å²	114	114.3 Å²	114.3	69%	0.691	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	117	161.8	-174.6	0	0	0	0	106.5	N255	N255-V257 PolarHBondContact O-N 3.26Å; N255-V257 VanDerWaalsContact O-N 3.13Å
258	N	37.3	Very low	41.9	Very low	139 Å²	139	109.4 Å²	109.4	74%	0.743	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.2	33.7	163.7	-57.7	-15.7	0	0	0	122.1	T256 S260	T256-N258 PolarHBondContact O-N 3.08Å; T256-N258 VanDerWaalsContact O-N 3.17Å; N258-S260 VanDerWaalsContact C-N 3.27Å; N258-S260 PolarHBondContact O-N 3.15Å
259	T	42	Very low	43.1	Very low	69 Å²	69	109.8 Å²	109.8	42%	0.423	63%	0.633	S	S	.	*			trans	-86.3	13.2	166.5	4.2	0	0	0	0	115.1
260	S	41.4	Very low	44.5	Very low	82 Å²	82	108.2 Å²	108.2	57%	0.573	63%	0.629	S	S	*	*			trans	-115.5	54.1	171.6	70.1	0	0	0	0	111.1	N258	N258-S260 VanDerWaalsContact C-N 3.27Å; N258-S260 PolarHBondContact O-N 3.15Å
261	A	41	Very low	45.9	Very low	61 Å²	61	106.5 Å²	106.5	50%	0.504	62%	0.619	S	S	.	*			trans	-78.1	125.3	162.4	0	0	0	0	0	107.6	V263	A261-V263 PolarHBondContact O-N 3.13Å
262	Y	43.7	Very low	47.2	Very low	161 Å²	161	102 Å²	102	63%	0.631	59%	0.591	S	S	*	*			trans	-57.7	122.1	163.2	-85	-91.1	0	0	0	107.1	S264	Y262-S264 VanDerWaalsContact C-N 3.28Å; Y262-S264 PolarHBondContact O-N 3.24Å; Y262-S264 PolarHBondContact O-OG 2.98Å
263	V	47	Very low	48.8	Very low	46 Å²	46	97.9 Å²	97.9	28%	0.279	57%	0.566	S	S	.	*			trans	-72.1	91.6	175	-169.4	0	0	0	0	106.9	A261 D265 N272	A261-V263 PolarHBondContact O-N 3.13Å; V263-D265 WeakPolarHBondContact CG1-O 3.44Å; V263-N272 HydrophobicContact CG2-CB 4.29Å; V263-N272 VanDerWaalsContact CG2-CG 3.45Å; V263-N272 WeakPolarHBondContact CG2-ND2 3.36Å
264	S	52	Low	50.6	Low	120 Å²	120	94 Å²	94	84%	0.839	54%	0.54	S	S	*	.			trans	-70.9	-26.4	174.7	-42.3	0	0	0	0	111.5	Y262	Y262-S264 VanDerWaalsContact C-N 3.28Å; Y262-S264 PolarHBondContact O-N 3.24Å; Y262-S264 PolarHBondContact O-OG 2.98Å
265	D	52.5	Low	52.4	Low	82 Å²	82	91.1 Å²	91.1	44%	0.439	52%	0.521	S	S	.	.			trans	-124.5	113.2	-172.8	-160.9	-22.8	0	0	0	110.2	V263 N267 D268	V263-D265 WeakPolarHBondContact CG1-O 3.44Å; D265-N267 PolarHBondContact O-N 3.23Å; D265-N267 WeakPolarHBondContact OD1-CB 3.49Å; D265-N267 PolarHBondContact OD1-N 3.33Å; D265-N267 VanDerWaalsContact OD1-N 3.07Å; D265-D268 PolarHBondContact O-N 3.43Å
266	P	57.1	Low	54.5	Low	107 Å²	107	86 Å²	86	70%	0.695	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-12.9	176.2	24.7	-32.6	0	0	0	113.4
267	N	60	Low	56.3	Low	143 Å²	143	85.3 Å²	85.3	77%	0.765	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.8	174.5	-68.4	-39.7	0	0	0	114	D265 I269	D265-N267 PolarHBondContact O-N 3.23Å; D265-N267 WeakPolarHBondContact OD1-CB 3.49Å; D265-N267 PolarHBondContact OD1-N 3.33Å; D265-N267 VanDerWaalsContact OD1-N 3.07Å; N267-I269 VanDerWaalsContact C-N 3.3Å; N267-I269 PolarHBondContact O-N 2.84Å
268	D	61.5	Low	58	Low	63 Å²	63	87 Å²	87	34%	0.337	48%	0.479	S	S	.	.			trans	-95.5	56.2	-179.4	-154.4	6.2	0	0	0	111.8	D265 T270 T271 N272	D265-D268 PolarHBondContact O-N 3.43Å; D268-T270 PolarHBondContact O-N 2.88Å; D268-T270 PolarHBondContact OD1-OG1 3.11Å; D268-T270 VanDerWaalsContact OD1-OG1 3.14Å; D268-T271 PolarHBondContact O-OG1 3.5Å; D268-T271 WeakPolarHBondContact OD1-CG2 3.35Å; D268-T271 PolarHBondContact OD1-OG1 2.85Å; D268-T271 VanDerWaalsContact OD1-OG1 3.07Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.33Å; D268-T271 PolarHBondContact OD2-OG1 3.39Å; D268-N272 PolarHBondContact O-ND2 3.29Å; D268-N272 VanDerWaalsContact O-ND2 3.17Å
269	I	59.2	Low	59.8	Low	121 Å²	121	82.9 Å²	82.9	62%	0.621	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.2	171.8	-87.2	172.2	0	0	0	110.6	N267 T271 N272 T273	N267-I269 VanDerWaalsContact C-N 3.3Å; N267-I269 PolarHBondContact O-N 2.84Å; I269-T271 PolarHBondContact O-N 3.42Å; I269-N272 PolarHBondContact O-N 3.09Å; I269-T273 PolarHBondContact O-N 2.91Å; I269-T273 PolarHBondContact O-OG1 2.83Å
270	T	60.6	Low	61.4	Low	112 Å²	112	84.9 Å²	84.9	69%	0.687	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36	-174.9	40.8	0	0	0	0	113.5	D268 N272	D268-T270 PolarHBondContact O-N 2.88Å; D268-T270 PolarHBondContact OD1-OG1 3.11Å; D268-T270 VanDerWaalsContact OD1-OG1 3.14Å; T270-N272 VanDerWaalsContact C-N 3.35Å
271	T	64.1	Low	63.4	Low	89 Å²	89	86.8 Å²	86.8	55%	0.546	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.9	179.6	50.4	0	0	0	0	113.7	D268 I269	D268-T271 PolarHBondContact O-OG1 3.5Å; D268-T271 WeakPolarHBondContact OD1-CG2 3.35Å; D268-T271 PolarHBondContact OD1-OG1 2.85Å; D268-T271 VanDerWaalsContact OD1-OG1 3.07Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.33Å; D268-T271 PolarHBondContact OD2-OG1 3.39Å; I269-T271 PolarHBondContact O-N 3.42Å
272	N	63.9	Low	65.2	Low	23 Å²	23	89.2 Å²	89.2	12%	0.123	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10.8	-177.8	-63.5	-65	0	0	0	114.2	V263 D268 I269 T270 F295	V263-N272 HydrophobicContact CG2-CB 4.29Å; V263-N272 VanDerWaalsContact CG2-CG 3.45Å; V263-N272 WeakPolarHBondContact CG2-ND2 3.36Å; D268-N272 PolarHBondContact O-ND2 3.29Å; D268-N272 VanDerWaalsContact O-ND2 3.17Å; I269-N272 PolarHBondContact O-N 3.09Å; T270-N272 VanDerWaalsContact C-N 3.35Å; N272-F295 WeakPolarHBondContact O-CA 3.33Å
273	T	66.3	Low	66.8	Low	23 Å²	23	82.4 Å²	82.4	14%	0.141	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.1	178.3	-60.1	0	0	0	0	109.6	I269 Y275 Y293	I269-T273 PolarHBondContact O-N 2.91Å; I269-T273 PolarHBondContact O-OG1 2.83Å; T273-Y275 HydrophobicContact CG2-CD2 4.34Å; T273-Y275 HydrophobicContact CG2-CE1 4.07Å; T273-Y275 HydrophobicContact CG2-CE2 3.86Å; T273-Y293 HydrophobicContact CG2-CD2 4.45Å; T273-Y293 HydrophobicContact CG2-CG 4.42Å
274	T	69.7	Low	68.2	Low	35 Å²	35	84.9 Å²	84.9	22%	0.215	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.6	169	-53.4	0	0	0	0	108.2	F276 I286 Y293 M294	T274-F276 HydrophobicContact CG2-CE2 4.02Å; T274-F276 HydrophobicContact CG2-CZ 3.95Å; T274-F276 WeakPolarHBondContact O-CE2 3.45Å; T274-I286 HydrophobicContact CG2-CB 4.45Å; T274-I286 HydrophobicContact CG2-CD1 4.38Å; T274-I286 HydrophobicContact CG2-CG1 4.17Å; T274-I286 HydrophobicContact CG2-CG2 3.55Å; T274-Y293 WeakPolarHBondContact O-CA 3.1Å; T274-M294 PolarHBondContact N-O 3.1Å; T274-M294 PolarHBondContact O-N 3.11Å
275	Y	72.2	Confident	69.4	Low	81 Å²	81	83.4 Å²	83.4	32%	0.318	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	149.4	174.8	-53.8	-97.5	0	0	0	110.5	T273 I286 N287 E288 G290 I292	T273-Y275 HydrophobicContact CG2-CD2 4.34Å; T273-Y275 HydrophobicContact CG2-CE1 4.07Å; T273-Y275 HydrophobicContact CG2-CE2 3.86Å; Y275-I286 WeakPolarHBondContact O-CA 3.49Å; Y275-N287 VanDerWaalsContact CB-O 3.28Å; Y275-N287 WeakPolarHBondContact CB-O 3.28Å; Y275-N287 WeakPolarHBondContact CB-OD1 3.35Å; Y275-N287 PolarHBondContact O-N 3.15Å; Y275-N287 PolarHBondContact O-OD1 2.95Å; Y275-N287 VanDerWaalsContact O-OD1 3.13Å; Y275-E288 WeakPolarHBondContact CD2-O 3.33Å; Y275-E288 WeakPolarHBondContact CE2-O 3.28Å; Y275-G290 WeakPolarHBondContact CD1-O 3.44Å; Y275-I292 CarbonylContact C-O 3.53Å; Y275-I292 VanDerWaalsContact CA-O 3.3Å; Y275-I292 WeakPolarHBondContact CA-O 2.92Å
276	F	76.3	Confident	70.6	Confident	46 Å²	46	85.1 Å²	85.1	20%	0.202	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.6	174.8	-61.4	-93.7	0	0	0	109.2	T274 Q285 I286 N287 I292 M294	T274-F276 HydrophobicContact CG2-CE2 4.02Å; T274-F276 HydrophobicContact CG2-CZ 3.95Å; T274-F276 WeakPolarHBondContact O-CE2 3.45Å; F276-Q285 CarbonylContact C-O 3.54Å; F276-Q285 VanDerWaalsContact CA-O 3.29Å; F276-Q285 WeakPolarHBondContact CA-O 3.09Å; F276-I286 HydrophobicContact CD1-CG1 4.32Å; F276-I286 HydrophobicContact CE1-CG1 3.96Å; F276-N287 VanDerWaalsContact C-OD1 3.22Å; F276-N287 WeakPolarHBondContact CA-OD1 3.41Å; F276-N287 PolarHBondContact N-OD1 3.19Å; F276-N287 VanDerWaalsContact N-OD1 3.12Å; F276-I292 HydrophobicContact CB-CB 4.17Å; F276-I292 HydrophobicContact CB-CG2 4.27Å; F276-I292 HydrophobicContact CD2-CG2 4.42Å; F276-I292 PolarHBondContact N-O 3.29Å; F276-M294 HydrophobicContact CD2-CB 4.18Å; F276-M294 HydrophobicContact CE2-CB 3.44Å; F276-M294 VanDerWaalsContact CE2-CB 3.44Å; F276-M294 HydrophobicContact CE2-CE 4.01Å; F276-M294 HydrophobicContact CZ-CB 4.3Å; F276-M294 HydrophobicContact CZ-CE 3.71Å
277	D	75.5	Confident	71.2	Confident	74 Å²	74	81.7 Å²	81.7	40%	0.396	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	160.8	157.1	-133.3	-34.7	0	0	0	110.7	P284 Q285 N287	D277-P284 CarbonylContact O-C 3.56Å; D277-P284 VanDerWaalsContact O-CA 3.31Å; D277-P284 WeakPolarHBondContact O-CA 3.42Å; D277-Q285 PolarHBondContact N-O 2.89Å; D277-Q285 PolarHBondContact O-N 3.46Å; D277-N287 WeakPolarHBondContact CB-ND2 3.49Å; D277-N287 PolarHBondContact N-ND2 3.14Å; D277-N287 PolarHBondContact N-OD1 2.74Å; D277-N287 PolarHBondContact OD2-ND2 3.4Å
278	Y	74.1	Confident	71.7	Confident	151 Å²	151	83.3 Å²	83.3	59%	0.592	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.9	164.8	-177.2	-96.1	0	0	0	109.6	P284	Y278-P284 HydrophobicContact CD2-CG 4.41Å
279	D	76.5	Confident	72.1	Confident	52 Å²	52	86.2 Å²	86.2	28%	0.278	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.6	168.9	-173.9	-35.7	0	0	0	108.9	V281 H282 G283 Q285	D279-V281 PolarHBondContact O-N 2.91Å; D279-V281 VanDerWaalsContact O-N 3.12Å; D279-V281 WeakPolarHBondContact OD1-CA 3.34Å; D279-V281 WeakPolarHBondContact OD1-CB 2.97Å; D279-V281 PolarHBondContact OD1-N 3.12Å; D279-H282 HydrophobicContact CB-CB 4.05Å; D279-H282 VanDerWaalsContact CG-ND1 3.31Å; D279-H282 PolarHBondContact O-N 3.33Å; D279-H282 PolarHBondContact OD1-N 2.63Å; D279-H282 IonicContact OD1-ND1 3.83Å; D279-H282 IonicContact OD2-CE1 2.69Å; D279-H282 IonicContact OD2-CG 3.66Å; D279-H282 IonicContact OD2-ND1 3.98Å; D279-H282 PolarHBondContact OD2-ND1 2.86Å; D279-G283 PolarHBondContact N-O 3.49Å; D279-G283 VanDerWaalsContact O-CA 3.25Å; D279-G283 WeakPolarHBondContact O-CA 3.42Å; D279-G283 PolarHBondContact O-N 3Å; D279-Q285 HydrophobicContact CB-CG 4.19Å
280	P	75.8	Confident	72.5	Confident	110 Å²	110	81.2 Å²	81.2	71%	0.714	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	177.5	-23.9	33.4	0	0	0	114.7
281	V	81.7	Confident	73	Confident	122 Å²	122	81 Å²	81	74%	0.739	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-43.4	-179.4	-177.9	0	0	0	0	111.2	D279	D279-V281 PolarHBondContact O-N 2.91Å; D279-V281 VanDerWaalsContact O-N 3.12Å; D279-V281 WeakPolarHBondContact OD1-CA 3.34Å; D279-V281 WeakPolarHBondContact OD1-CB 2.97Å; D279-V281 PolarHBondContact OD1-N 3.12Å
282	H	80.3	Confident	73.4	Confident	113 Å²	113	81.4 Å²	81.4	52%	0.523	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.4	-172.1	-53.7	102.4	0	0	0	114.3	D279 Q285	D279-H282 HydrophobicContact CB-CB 4.05Å; D279-H282 VanDerWaalsContact CG-ND1 3.31Å; D279-H282 PolarHBondContact O-N 3.33Å; D279-H282 PolarHBondContact OD1-N 2.63Å; D279-H282 IonicContact OD1-ND1 3.83Å; D279-H282 IonicContact OD2-CE1 2.69Å; D279-H282 IonicContact OD2-CG 3.66Å; D279-H282 IonicContact OD2-ND1 3.98Å; D279-H282 PolarHBondContact OD2-ND1 2.86Å; H282-Q285 HydrophobicContact CB-CG 4.38Å; H282-Q285 PolarHBondContact O-NE2 2.86Å
283	G	76.2	Confident	73.4	Confident	18 Å²	18	87.4 Å²	87.4	19%	0.186	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-159.3	-175	0	0	0	0	0	113	D279 Q285	D279-G283 PolarHBondContact N-O 3.49Å; D279-G283 VanDerWaalsContact O-CA 3.25Å; D279-G283 WeakPolarHBondContact O-CA 3.42Å; D279-G283 PolarHBondContact O-N 3Å; G283-Q285 PolarHBondContact O-N 3.05Å
284	P	75.7	Confident	73.5	Confident	98 Å²	98	91 Å²	91	64%	0.636	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	124.8	177.5	-19.7	31.6	0	0	0	111.3	D277 Y278	D277-P284 CarbonylContact O-C 3.56Å; D277-P284 VanDerWaalsContact O-CA 3.31Å; D277-P284 WeakPolarHBondContact O-CA 3.42Å; Y278-P284 HydrophobicContact CD2-CG 4.41Å
285	Q	77.8	Confident	73.2	Confident	89 Å²	89	95.4 Å²	95.4	42%	0.416	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.9	177.6	-65.2	-68.3	-48.5	0	0	109.2	F276 D277 D279 H282 G283	F276-Q285 CarbonylContact C-O 3.54Å; F276-Q285 VanDerWaalsContact CA-O 3.29Å; F276-Q285 WeakPolarHBondContact CA-O 3.09Å; D277-Q285 PolarHBondContact N-O 2.89Å; D277-Q285 PolarHBondContact O-N 3.46Å; D279-Q285 HydrophobicContact CB-CG 4.19Å; H282-Q285 HydrophobicContact CB-CG 4.38Å; H282-Q285 PolarHBondContact O-NE2 2.86Å; G283-Q285 PolarHBondContact O-N 3.05Å
286	I	77.9	Confident	72.6	Confident	118 Å²	118	96.5 Å²	96.5	61%	0.605	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	128	171.3	-64.4	169.8	0	0	0	107.7	T274 Y275 F276	T274-I286 HydrophobicContact CG2-CB 4.45Å; T274-I286 HydrophobicContact CG2-CD1 4.38Å; T274-I286 HydrophobicContact CG2-CG1 4.17Å; T274-I286 HydrophobicContact CG2-CG2 3.55Å; Y275-I286 WeakPolarHBondContact O-CA 3.49Å; F276-I286 HydrophobicContact CD1-CG1 4.32Å; F276-I286 HydrophobicContact CE1-CG1 3.96Å
287	N	70.2	Confident	71.7	Confident	34 Å²	34	97.9 Å²	97.9	18%	0.182	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167	177.7	53.6	3.7	0	0	0	110.9	Y275 F276 D277 V289 G290	Y275-N287 VanDerWaalsContact CB-O 3.28Å; Y275-N287 WeakPolarHBondContact CB-O 3.28Å; Y275-N287 WeakPolarHBondContact CB-OD1 3.35Å; Y275-N287 PolarHBondContact O-N 3.15Å; Y275-N287 PolarHBondContact O-OD1 2.95Å; Y275-N287 VanDerWaalsContact O-OD1 3.13Å; F276-N287 VanDerWaalsContact C-OD1 3.22Å; F276-N287 WeakPolarHBondContact CA-OD1 3.41Å; F276-N287 PolarHBondContact N-OD1 3.19Å; F276-N287 VanDerWaalsContact N-OD1 3.12Å; D277-N287 WeakPolarHBondContact CB-ND2 3.49Å; D277-N287 PolarHBondContact N-ND2 3.14Å; D277-N287 PolarHBondContact N-OD1 2.74Å; D277-N287 PolarHBondContact OD2-ND2 3.4Å; N287-V289 VanDerWaalsContact C-N 3.33Å; N287-V289 PolarHBondContact ND2-O 3.5Å; N287-G290 WeakPolarHBondContact ND2-CA 3Å
288	E	70.9	Confident	70.6	Confident	177 Å²	177	101.5 Å²	101.5	83%	0.827	52%	0.523	S	S	*	.	S	Bend	trans	-84.5	-14.7	171.8	-64.5	-173.7	176.2	0	0	112	Y275	Y275-E288 WeakPolarHBondContact CD2-O 3.33Å; Y275-E288 WeakPolarHBondContact CE2-O 3.28Å
289	V	68.6	Low	69.6	Low	124 Å²	124	101.7 Å²	101.7	75%	0.752	53%	0.529	S	S	*	.	S	Bend	trans	-143.3	105.8	-178.1	-174.4	0	0	0	0	107.5	N287	N287-V289 VanDerWaalsContact C-N 3.33Å; N287-V289 PolarHBondContact ND2-O 3.5Å
290	G	67.1	Low	68.6	Low	17 Å²	17	103.6 Å²	103.6	18%	0.175	54%	0.544	C	S	.	.			trans	-143.9	153.9	-179.7	0	0	0	0	0	111.9	Y275 N287 I292	Y275-G290 WeakPolarHBondContact CD1-O 3.44Å; N287-G290 WeakPolarHBondContact ND2-CA 3Å; G290-I292 PolarHBondContact O-N 2.83Å
291	P	71.3	Confident	67.6	Low	108 Å²	108	103.8 Å²	103.8	70%	0.701	55%	0.548	S	S	*	.	S	Bend	trans	-67.5	-20.1	178	28.9	-34.7	0	0	0	112.2
292	I	72.4	Confident	65.9	Low	97 Å²	97	105.7 Å²	105.7	50%	0.497	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.9	179.1	-58.2	170.8	0	0	0	107.7	Y275 F276 G290	Y275-I292 CarbonylContact C-O 3.53Å; Y275-I292 VanDerWaalsContact CA-O 3.3Å; Y275-I292 WeakPolarHBondContact CA-O 2.92Å; F276-I292 HydrophobicContact CB-CB 4.17Å; F276-I292 HydrophobicContact CB-CG2 4.27Å; F276-I292 HydrophobicContact CD2-CG2 4.42Å; F276-I292 PolarHBondContact N-O 3.29Å; G290-I292 PolarHBondContact O-N 2.83Å
293	Y	64.9	Low	64.5	Low	149 Å²	149	105.6 Å²	105.6	58%	0.584	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.3	141.9	171	62	-84.8	0	0	0	109.3	T273 T274 F295	T273-Y293 HydrophobicContact CG2-CD2 4.45Å; T273-Y293 HydrophobicContact CG2-CG 4.42Å; T274-Y293 WeakPolarHBondContact O-CA 3.1Å; Y293-F295 HydrophobicContact CD2-CD1 4.24Å; Y293-F295 HydrophobicContact CE2-CD1 4.16Å; Y293-F295 HydrophobicContact CE2-CE1 4.36Å
294	M	68	Low	63.1	Low	99 Å²	99	111.1 Å²	111.1	49%	0.488	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	169	-163.2	173.3	62.9	0	0	107.6	T274 F276	T274-M294 PolarHBondContact N-O 3.1Å; T274-M294 PolarHBondContact O-N 3.11Å; F276-M294 HydrophobicContact CD2-CB 4.18Å; F276-M294 HydrophobicContact CE2-CB 3.44Å; F276-M294 VanDerWaalsContact CE2-CB 3.44Å; F276-M294 HydrophobicContact CE2-CE 4.01Å; F276-M294 HydrophobicContact CZ-CB 4.3Å; F276-M294 HydrophobicContact CZ-CE 3.71Å
295	F	63.5	Low	61.5	Low	127 Å²	127	112.8 Å²	112.8	56%	0.557	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.4	138.3	169.5	63.4	-89.2	0	0	0	108.3	N272 Y293 V297	N272-F295 WeakPolarHBondContact O-CA 3.33Å; Y293-F295 HydrophobicContact CD2-CD1 4.24Å; Y293-F295 HydrophobicContact CE2-CD1 4.16Å; Y293-F295 HydrophobicContact CE2-CE1 4.36Å; F295-V297 HydrophobicContact CD2-CG2 3.9Å; F295-V297 HydrophobicContact CE2-CG2 4.21Å
296	M	59.5	Low	60.2	Low	104 Å²	104	113.5 Å²	113.5	51%	0.512	60%	0.595	S	S	.	*			trans	-106.7	115.3	169.5	-80.8	-169	-61.8	0	0	108.4
297	V	57.8	Low	59	Low	74 Å²	74	116.8 Å²	116.8	45%	0.448	61%	0.607	S	S	.	*			trans	-99.5	115.3	166.4	174.7	0	0	0	0	107.7	F295 H299	F295-V297 HydrophobicContact CD2-CG2 3.9Å; F295-V297 HydrophobicContact CE2-CG2 4.21Å; V297-H299 WeakPolarHBondContact CG1-NE2 3.3Å
298	R	52.6	Low	57.9	Low	150 Å²	150	121.6 Å²	121.6	57%	0.566	63%	0.633	S	S	*	*			trans	-94	106.7	165.8	-69.3	-172.6	-178.6	-168.4	1.5	108
299	H	52.7	Low	56.8	Low	156 Å²	156	119.2 Å²	119.2	72%	0.722	63%	0.63	S	S	*	*			trans	-73.2	132.4	168	-67.2	-69.5	0	0	0	109	V297 S301	V297-H299 WeakPolarHBondContact CG1-NE2 3.3Å; H299-S301 PolarHBondContact O-N 3.18Å
300	P	56.2	Low	55.7	Low	92 Å²	92	121 Å²	121	60%	0.597	64%	0.635	S	S	*	*			trans	-57.9	126.8	166.3	24.3	-30.2	0	0	0	107.3	Q302	P300-Q302 PolarHBondContact O-N 3.19Å
301	S	54.9	Low	54.3	Low	113 Å²	113	129.9 Å²	129.9	79%	0.79	67%	0.672	S	S	*	*			trans	-56	113.4	169	50.6	0	0	0	0	107.1	H299	H299-S301 PolarHBondContact O-N 3.18Å
302	Q	44.4	Very low	53.3	Low	163 Å²	163	133.1 Å²	133.1	76%	0.762	71%	0.708	S	S	*	*			trans	-54.4	131.8	172.4	-81	-156.6	-27.8	0	0	108.1	P300 D304	P300-Q302 PolarHBondContact O-N 3.19Å; Q302-D304 PolarHBondContact O-N 3.05Å
303	P	51	Low	52.3	Low	110 Å²	110	135 Å²	135	71%	0.714	72%	0.719	S	S	*	*			trans	-59	128.7	162.3	26.9	-29.7	0	0	0	106.5	M305	P303-M305 PolarHBondContact O-N 3.5Å
304	D	47.5	Very low	51.7	Low	135 Å²	135	134.2 Å²	134.2	72%	0.722	73%	0.726	S	S	*	*			trans	-47.7	111.3	-179.9	-150.2	-5.1	0	0	0	109.6	Q302 T306	Q302-D304 PolarHBondContact O-N 3.05Å; D304-T306 PolarHBondContact O-N 3.13Å
305	M	42.1	Very low	50.8	Low	132 Å²	132	136.2 Å²	136.2	65%	0.65	74%	0.739	S	S	*	*			trans	-75.9	37.6	-176.9	-79.9	-81.8	-76.6	0	0	112.2	P303 H307 L308	P303-M305 PolarHBondContact O-N 3.5Å; M305-H307 PolarHBondContact O-N 3.38Å; M305-L308 HydrophobicContact CE-CD1 3.85Å
306	T	50.7	Low	50	Low	105 Å²	105	136.7 Å²	136.7	64%	0.644	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	10.4	-177.4	45.3	0	0	0	0	114.3	D304	D304-T306 PolarHBondContact O-N 3.13Å
307	H	52	Low	49.4	Very low	186 Å²	186	138.8 Å²	138.8	86%	0.861	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	12.9	178.8	-97.8	-75.9	0	0	0	116.2	M305	M305-H307 PolarHBondContact O-N 3.38Å
308	L	46.9	Very low	48.9	Very low	136 Å²	136	143.1 Å²	143.1	71%	0.712	79%	0.786	S	S	*	*			trans	-124.7	55.7	179.5	-76.9	165.8	0	0	0	112.8	M305	M305-L308 HydrophobicContact CE-CD1 3.85Å
309	V	49	Very low	48.6	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	80%	0.801	S	S	*	*	S	Bend	trans	-148	89.7	160	-171.6	0	0	0	0	108
310	N	45.2	Very low	48.3	Very low	161 Å²	161	141.5 Å²	141.5	86%	0.861	81%	0.807	S	S	*	*			trans	161.4	74.3	147	-80.8	-10.8	0	0	0	110.5
311	E	37.4	Very low	47.6	Very low	203 Å²	203	145.7 Å²	145.7	95%	0.949	83%	0.825	S	S	*	*			trans	-134.8	91	150	-100.5	-174.1	160.3	0	0	106.7
312	A	50.2	Low	46.9	Very low	177 Å²	177	148.6 Å²	148.6	100%	1.463	83%	0.828	S	S	*	*			trans	-161.3	0	158.5	0	0	0	0	0	107.9

Retrieved 312 of 312 residues in 183.4 ms (Link to these results)

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