A0A077Z6Y8_TRITR Loading...

Ribose phosphate pyrophosphokinase 3

AlphaFold DB , UniProt , Accession A0A077Z6Y8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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	36	Very low	40.7	Very low	248 Å²	248	142.5 Å²	142.5	100%	1.222	81%	0.814	S	S	*	*				0	92.2	0	-78	176.6	164.2	0	0	109.3
2	S	39.2	Very low	42.5	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	76%	0.759	S	S	*	*			trans	-176.6	111.8	144.4	-176.3	0	0	0	0	105.6	A4	S2-A4 PolarHBondContact O-N 2.69Å
3	S	34	Very low	45.3	Very low	107 Å²	107	127 Å²	127	75%	0.748	73%	0.726	S	S	*	*			trans	-63.1	123.1	-176.3	48.5	0	0	0	0	111.2	S5	S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.38Å
4	A	42.5	Very low	48.5	Very low	106 Å²	106	120.4 Å²	120.4	88%	0.876	69%	0.687	S	S	*	*			trans	-67.7	89.6	162.7	0	0	0	0	0	108.3	S2 G6	S2-A4 PolarHBondContact O-N 2.69Å; A4-G6 PolarHBondContact O-N 3.13Å
5	S	37.7	Very low	51.5	Low	90 Å²	90	112.5 Å²	112.5	63%	0.629	64%	0.643	S	S	*	*			trans	-65	114	172.9	68.3	0	0	0	0	108.4	S3 K7	S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.38Å; S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 3.19Å
6	G	36.5	Very low	54.2	Low	81 Å²	81	105.6 Å²	105.6	84%	0.835	60%	0.603	S	S	*	*			trans	-62.9	93.3	170.4	0	0	0	0	0	110	A4 S8	A4-G6 PolarHBondContact O-N 3.13Å; G6-S8 PolarHBondContact O-N 2.85Å
7	K	37.1	Very low	56.7	Low	185 Å²	185	99.4 Å²	99.4	80%	0.804	57%	0.568	S	S	*	*			trans	-68.9	113.7	164.5	-74	-174.4	177.2	-178.1	0	106.8	S5 K9	S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 3.19Å; K7-K9 PolarHBondContact O-N 3.46Å
8	S	38.8	Very low	58.9	Low	109 Å²	109	94.4 Å²	94.4	76%	0.762	54%	0.541	S	S	*	.			trans	-50.3	125.7	164.3	53.1	0	0	0	0	107.8	G6 Q10	G6-S8 PolarHBondContact O-N 2.85Å; S8-Q10 VanDerWaalsContact C-N 3.26Å; S8-Q10 PolarHBondContact O-N 3.26Å
9	K	42.5	Very low	60.9	Low	209 Å²	209	90.3 Å²	90.3	91%	0.909	52%	0.516	S	S	*	.			trans	-65.8	91.9	174.3	-97.2	-178.7	173.7	178.6	0	107.1	K7 R11	K7-K9 PolarHBondContact O-N 3.46Å; K9-R11 PolarHBondContact O-N 3.14Å
10	Q	47.6	Very low	62.5	Low	169 Å²	169	89 Å²	89	79%	0.79	52%	0.517	S	S	*	.			trans	-58.6	110.7	167.6	-168.5	172.7	4.7	0	0	107	S8 S12	S8-Q10 VanDerWaalsContact C-N 3.26Å; S8-Q10 PolarHBondContact O-N 3.26Å; Q10-S12 PolarHBondContact O-N 3.49Å
11	R	55.5	Low	64	Low	142 Å²	142	87.6 Å²	87.6	54%	0.536	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-65.4	132.6	178.1	-149.3	173.1	-176.4	179.4	-0.8	106.9	K9	K9-R11 PolarHBondContact O-N 3.14Å
12	S	62.6	Low	66.7	Low	22 Å²	22	77.3 Å²	77.3	15%	0.154	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-69.1	156.6	177.6	54.4	0	0	0	0	110.8	Q10 L14 D75 R104	Q10-S12 PolarHBondContact O-N 3.49Å; S12-L14 PolarHBondContact O-N 3.44Å; S12-D75 VanDerWaalsContact OG-CG 3.3Å; S12-D75 PolarHBondContact OG-OD2 3.32Å; S12-R104 VanDerWaalsContact CB-CZ 3.48Å; S12-R104 PolarHBondContact OG-NH1 3.45Å; S12-R104 PolarHBondContact OG-NH2 3.07Å
13	D	79.1	Confident	69.3	Low	62 Å²	62	72.1 Å²	72.1	33%	0.332	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-52.4	131.6	164.2	-48.9	-38.4	0	0	0	110.6	K44 K74	D13-K44 CarbonylContact C-O 3.57Å; D13-K44 VanDerWaalsContact CA-O 3.28Å; D13-K44 WeakPolarHBondContact CA-O 3.42Å; D13-K74 HydrophobicContact CB-CD 4.14Å; D13-K74 IonicContact OD2-NZ 2.72Å; D13-K74 PolarHBondContact OD2-NZ 3.47Å
14	L	89.9	Confident	72.1	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.178	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.9	178.8	-178	64.3	0	0	0	108.7	S12 I16 K44 A45 A46 D75 I77	S12-L14 PolarHBondContact O-N 3.44Å; L14-I16 HydrophobicContact CD2-CD1 4.37Å; L14-I16 HydrophobicContact CG-CG1 4.35Å; L14-K44 PolarHBondContact N-O 2.84Å; L14-A45 HydrophobicContact CB-CB 4.05Å; L14-A45 HydrophobicContact CD2-CB 4.05Å; L14-A45 HydrophobicContact CG-CB 4.39Å; L14-A45 WeakPolarHBondContact O-CA 3.18Å; L14-A46 PolarHBondContact O-N 3.13Å; L14-A46 VanDerWaalsContact O-N 3.11Å; L14-D75 HydrophobicContact CD1-CB 4.11Å; L14-I77 HydrophobicContact CD1-CD1 3.75Å; L14-I77 HydrophobicContact CD1-CG1 3.85Å; L14-I77 HydrophobicContact CD2-CD1 3.88Å; L14-I77 HydrophobicContact CG-CD1 4.2Å
15	C	93.7	Very high	74.4	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.02	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.8	175.8	-178.7	0	0	0	0	109	Y48 L71 K74 D75 V76 I77	C15-Y48 HydrophobicContact CB-CD2 4.24Å; C15-Y48 HydrophobicContact CB-CE2 4.2Å; C15-Y48 WeakPolarHBondContact SG-CD2 3.27Å; C15-L71 HydrophobicContact CB-CD2 4.46Å; C15-L71 WeakPolarHBondContact SG-CD2 3.35Å; C15-K74 HydrophobicContact CB-CB 4.31Å; C15-D75 PolarHBondContact N-O 3.19Å; C15-V76 HydrophobicContact CB-CG2 4.22Å; C15-V76 CarbonylContact O-C 3.55Å; C15-V76 VanDerWaalsContact O-CA 3.31Å; C15-V76 WeakPolarHBondContact O-CA 3.32Å; C15-I77 PolarHBondContact O-N 3.32Å
16	I	95.2	Very high	77.1	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.3	172.8	-66.9	165.9	0	0	0	107.9	L14 A26 V29 V30 A45 A46 F47 Y48 I77 L79	L14-I16 HydrophobicContact CD2-CD1 4.37Å; L14-I16 HydrophobicContact CG-CG1 4.35Å; I16-A26 HydrophobicContact CG2-CB 4.16Å; I16-V29 HydrophobicContact CD1-CG1 4.22Å; I16-V30 HydrophobicContact CB-CG2 4.42Å; I16-V30 HydrophobicContact CD1-CG2 3.52Å; I16-A45 HydrophobicContact CD1-CB 4.44Å; I16-A46 PolarHBondContact N-O 3.21Å; I16-F47 HydrophobicContact CG2-CD2 4.06Å; I16-F47 CarbonylContact O-C 3.57Å; I16-F47 WeakPolarHBondContact O-CA 3.38Å; I16-F47 WeakPolarHBondContact O-CD2 3.49Å; I16-Y48 PolarHBondContact O-N 3.48Å; I16-I77 WeakPolarHBondContact CA-O 3.27Å; I16-I77 HydrophobicContact CG1-CB 4.21Å; I16-L79 HydrophobicContact CG2-CD1 3.28Å
17	I	96.2	Very high	79.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.4	171.3	48.6	161.1	0	0	0	108.4	I50 V76 I77 F78 L79 L98	I17-I50 HydrophobicContact CG2-CD1 4.04Å; I17-I50 HydrophobicContact CG2-CG1 3.97Å; I17-V76 HydrophobicContact CD1-CG1 3.76Å; I17-V76 HydrophobicContact CG1-CG1 3.71Å; I17-I77 WeakPolarHBondContact CG1-O 3.44Å; I17-I77 PolarHBondContact N-O 3.24Å; I17-F78 HydrophobicContact CB-CD2 4.36Å; I17-F78 HydrophobicContact CD1-CB 4.12Å; I17-F78 HydrophobicContact CD1-CD2 3.72Å; I17-F78 HydrophobicContact CD1-CG 4.3Å; I17-F78 HydrophobicContact CG1-CB 4.07Å; I17-F78 HydrophobicContact CG1-CD2 3.78Å; I17-F78 HydrophobicContact CG1-CG 4.41Å; I17-F78 CarbonylContact O-C 3.59Å; I17-F78 WeakPolarHBondContact O-CA 3.44Å; I17-L79 PolarHBondContact O-N 3.36Å; I17-L98 HydrophobicContact CD1-CD1 3.61Å; I17-L98 HydrophobicContact CD1-CD2 3.84Å; I17-L98 HydrophobicContact CD1-CG 4.39Å
18	A	96.8	Very high	82.4	Confident	10 Å²	10	61.7 Å²	61.7	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.9	-176.3	0	0	0	0	0	111.3	Q22 A26 F47 L79	A18-Q22 HydrophobicContact CB-CB 4.17Å; A18-A26 HydrophobicContact CB-CB 3.81Å; A18-F47 HydrophobicContact CB-CE2 3.67Å; A18-F47 HydrophobicContact CB-CZ 4.12Å; A18-L79 WeakPolarHBondContact CA-O 3.44Å; A18-L79 HydrophobicContact CB-CB 3.9Å
19	H	95.7	Very high	84.8	Confident	15 Å²	15	59.2 Å²	59.2	7%	0.069	31%	0.305	C	S	.	.			trans	-63.6	151.3	159.8	178.1	-100.7	0	0	0	109.9	S21 Q22 A23 W53 F78 L79 H83 E90 Q91	H19-S21 PolarHBondContact CE1-N 2.89Å; H19-S21 PolarHBondContact CE1-OG 2.69Å; H19-S21 WeakPolarHBondContact ND1-CB 3.33Å; H19-S21 PolarHBondContact ND1-N 3Å; H19-S21 VanDerWaalsContact ND1-N 3.11Å; H19-S21 PolarHBondContact ND1-OG 3.18Å; H19-S21 PolarHBondContact O-N 2.82Å; H19-S21 VanDerWaalsContact O-N 3.15Å; H19-Q22 WeakPolarHBondContact O-CA 3.48Å; H19-Q22 PolarHBondContact O-N 3.28Å; H19-A23 PolarHBondContact O-N 2.87Å; H19-W53 HydrophobicContact CB-CZ2 4.17Å; H19-W53 AromaticContact CD2-CD2 3.69Å; H19-W53 AromaticContact CD2-CE2 3.81Å; H19-W53 AromaticContact CD2-CE3 3.72Å; H19-W53 AromaticContact CD2-CZ3 3.93Å; H19-F78 HydrophobicContact CB-CZ 4.38Å; H19-L79 PolarHBondContact N-O 2.97Å; H19-L79 VanDerWaalsContact N-O 3.1Å; H19-H83 AromaticContact CE1-CE1 3.83Å; H19-E90 IonicContact CD2-OE1 3.31Å; H19-E90 PolarHBondContact CD2-OE1 2.83Å; H19-E90 IonicContact NE2-OE1 2.66Å; H19-E90 PolarHBondContact NE2-OE1 3.35Å; H19-E90 VanDerWaalsContact NE2-OE1 3.14Å; H19-Q91 HydrophobicContact CB-CG 4.46Å
20	A	93.1	Very high	87	Confident	65 Å²	65	50.3 Å²	50.3	54%	0.537	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-53.9	-38.3	-177.1	0	0	0	0	0	112.9	Q22 A23	A20-Q22 PolarHBondContact O-N 3.32Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.2Å
21	S	93.7	Very high	89	Confident	60 Å²	60	47.6 Å²	47.6	42%	0.42	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.4	-13.8	176.7	71.4	0	0	0	0	114.6	H19 S81	H19-S21 PolarHBondContact CE1-N 2.89Å; H19-S21 PolarHBondContact CE1-OG 2.69Å; H19-S21 WeakPolarHBondContact ND1-CB 3.33Å; H19-S21 PolarHBondContact ND1-N 3Å; H19-S21 VanDerWaalsContact ND1-N 3.11Å; H19-S21 PolarHBondContact ND1-OG 3.18Å; H19-S21 PolarHBondContact O-N 2.82Å; H19-S21 VanDerWaalsContact O-N 3.15Å; S21-S81 WeakPolarHBondContact OG-CB 3.43Å; S21-S81 PolarHBondContact OG-OG 2.94Å; S21-S81 VanDerWaalsContact OG-OG 3.07Å
22	Q	93.3	Very high	90.5	Very high	31 Å²	31	49.1 Å²	49.1	15%	0.145	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-110.7	4.9	-179.5	-63	-63.7	-33.2	0	0	112.8	A18 H19 A20 T24 L25 A26 L79	A18-Q22 HydrophobicContact CB-CB 4.17Å; H19-Q22 WeakPolarHBondContact O-CA 3.48Å; H19-Q22 PolarHBondContact O-N 3.28Å; A20-Q22 PolarHBondContact O-N 3.32Å; Q22-T24 VanDerWaalsContact C-N 3.29Å; Q22-T24 PolarHBondContact O-N 3.41Å; Q22-L25 PolarHBondContact O-N 2.92Å; Q22-L25 VanDerWaalsContact O-N 3.13Å; Q22-L25 VanDerWaalsContact OE1-CD2 3.25Å; Q22-A26 WeakPolarHBondContact O-CB 3.4Å; Q22-A26 PolarHBondContact O-N 2.83Å; Q22-L79 HydrophobicContact CB-CB 4.1Å
23	A	93.3	Very high	91.4	Very high	13 Å²	13	50.4 Å²	50.4	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-39.6	-177.6	0	0	0	0	0	112.6	H19 A20 A26 R27 F47	H19-A23 PolarHBondContact O-N 2.87Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.2Å; A23-A26 PolarHBondContact O-N 2.69Å; A23-R27 WeakPolarHBondContact O-CG 3.37Å; A23-R27 PolarHBondContact O-N 2.93Å; A23-F47 HydrophobicContact CB-CE1 4.21Å; A23-F47 HydrophobicContact CB-CZ 4.03Å
24	T	93.8	Very high	91.3	Very high	98 Å²	98	51.3 Å²	51.3	60%	0.601	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-46.2	175.8	-54.5	0	0	0	0	111.6	Q22 A26 R27 L28	Q22-T24 VanDerWaalsContact C-N 3.29Å; Q22-T24 PolarHBondContact O-N 3.41Å; T24-A26 VanDerWaalsContact C-N 3.33Å; T24-A26 PolarHBondContact O-N 2.77Å; T24-R27 PolarHBondContact O-N 3.47Å; T24-L28 HydrophobicContact CG2-CD1 4.42Å; T24-L28 WeakPolarHBondContact O-CG 3.47Å; T24-L28 PolarHBondContact O-N 3.39Å; T24-L28 VanDerWaalsContact O-N 3.12Å
25	L	91.3	Very high	90.8	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.7	-178.7	60.9	0	0	0	111	Q22 R27 L28 V29 L79 P111	Q22-L25 PolarHBondContact O-N 2.92Å; Q22-L25 VanDerWaalsContact O-N 3.13Å; Q22-L25 VanDerWaalsContact OE1-CD2 3.25Å; L25-R27 PolarHBondContact O-N 3.11Å; L25-L28 PolarHBondContact O-N 3.42Å; L25-V29 HydrophobicContact CD1-CG2 4.34Å; L25-V29 HydrophobicContact CG-CG2 4.42Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.31Å; L25-L79 HydrophobicContact CB-CD2 4.32Å; L25-L79 HydrophobicContact CD2-CD2 3.98Å; L25-L79 HydrophobicContact CG-CD2 3.85Å; L25-P111 HydrophobicContact CD2-CG 4.36Å
26	A	92.9	Very high	89.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-42.3	178.6	0	0	0	0	0	112.5	I16 A18 Q22 A23 T24 V29 V30 F47 L79	I16-A26 HydrophobicContact CG2-CB 4.16Å; A18-A26 HydrophobicContact CB-CB 3.81Å; Q22-A26 WeakPolarHBondContact O-CB 3.4Å; Q22-A26 PolarHBondContact O-N 2.83Å; A23-A26 PolarHBondContact O-N 2.69Å; T24-A26 VanDerWaalsContact C-N 3.33Å; T24-A26 PolarHBondContact O-N 2.77Å; A26-V29 PolarHBondContact O-N 2.85Å; A26-V30 WeakPolarHBondContact O-CG2 3.5Å; A26-V30 PolarHBondContact O-N 2.83Å; A26-V30 VanDerWaalsContact O-N 3.07Å; A26-F47 HydrophobicContact CB-CD1 4.45Å; A26-F47 HydrophobicContact CB-CD2 3.69Å; A26-F47 HydrophobicContact CB-CE1 4.36Å; A26-F47 HydrophobicContact CB-CE2 3.63Å; A26-F47 HydrophobicContact CB-CG 4.13Å; A26-F47 HydrophobicContact CB-CZ 3.98Å; A26-L79 HydrophobicContact CB-CD1 4.05Å; A26-L79 HydrophobicContact CB-CD2 4.13Å
27	R	93.5	Very high	87.8	Confident	100 Å²	100	60.9 Å²	60.9	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-47.4	174.9	-69.6	-179.5	-166	114.2	-0	111.4	A23 T24 L25 V29 V30 E31 F47 E49	A23-R27 WeakPolarHBondContact O-CG 3.37Å; A23-R27 PolarHBondContact O-N 2.93Å; T24-R27 PolarHBondContact O-N 3.47Å; L25-R27 PolarHBondContact O-N 3.11Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.65Å; R27-V30 PolarHBondContact O-N 3.22Å; R27-V30 VanDerWaalsContact O-N 3.16Å; R27-E31 WeakPolarHBondContact O-CG 3.35Å; R27-E31 PolarHBondContact O-N 3.3Å; R27-F47 HydrophobicContact CG-CD1 3.72Å; R27-F47 HydrophobicContact CG-CE1 4.06Å; R27-E49 IonicContact CZ-OE1 3.39Å; R27-E49 IonicContact NE-OE1 3.88Å; R27-E49 IonicContact NH2-OE1 3.02Å; R27-E49 PolarHBondContact NH2-OE1 3.35Å; R27-E49 IonicContact NH2-OE2 3.55Å; R27-E49 PolarHBondContact NH2-OE2 2.97Å
28	L	92.2	Very high	85.6	Confident	86 Å²	86	67.1 Å²	67.1	45%	0.45	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-39	176.7	-69.8	171.7	0	0	0	112.5	T24 L25 E31 R32	T24-L28 HydrophobicContact CG2-CD1 4.42Å; T24-L28 WeakPolarHBondContact O-CG 3.47Å; T24-L28 PolarHBondContact O-N 3.39Å; T24-L28 VanDerWaalsContact O-N 3.12Å; L25-L28 PolarHBondContact O-N 3.42Å; L28-E31 PolarHBondContact O-N 3Å; L28-R32 WeakPolarHBondContact O-CB 3.47Å; L28-R32 VanDerWaalsContact O-CG 3.27Å; L28-R32 WeakPolarHBondContact O-CG 3.16Å; L28-R32 PolarHBondContact O-N 2.97Å
29	V	88.9	Confident	83.3	Confident	57 Å²	57	75.2 Å²	75.2	35%	0.345	39%	0.389	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.2	168.9	0	0	0	0	111	I16 L25 A26 R27 Y33 L79	I16-V29 HydrophobicContact CD1-CG1 4.22Å; L25-V29 HydrophobicContact CD1-CG2 4.34Å; L25-V29 HydrophobicContact CG-CG2 4.42Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.31Å; A26-V29 PolarHBondContact O-N 2.85Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.65Å; V29-Y33 VanDerWaalsContact O-CB 3.26Å; V29-Y33 WeakPolarHBondContact O-CB 3.45Å; V29-Y33 PolarHBondContact O-N 3.04Å; V29-L79 HydrophobicContact CG2-CD2 4.44Å
30	V	89.6	Confident	81.2	Confident	22 Å²	22	78.8 Å²	78.8	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-64.6	-46.6	176.2	171.7	0	0	0	0	111.4	I16 A26 R27 R32 Y33 M34 F47	I16-V30 HydrophobicContact CB-CG2 4.42Å; I16-V30 HydrophobicContact CD1-CG2 3.52Å; A26-V30 WeakPolarHBondContact O-CG2 3.5Å; A26-V30 PolarHBondContact O-N 2.83Å; A26-V30 VanDerWaalsContact O-N 3.07Å; R27-V30 PolarHBondContact O-N 3.22Å; R27-V30 VanDerWaalsContact O-N 3.16Å; V30-R32 PolarHBondContact O-N 2.98Å; V30-Y33 WeakPolarHBondContact O-CB 3.32Å; V30-Y33 PolarHBondContact O-N 3.22Å; V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 VanDerWaalsContact O-CG 3.3Å; V30-M34 WeakPolarHBondContact O-CG 3.4Å; V30-M34 PolarHBondContact O-N 2.75Å; V30-F47 HydrophobicContact CG2-CB 3.88Å
31	E	88.6	Confident	79.3	Confident	111 Å²	111	84.1 Å²	84.1	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-56.6	-50.1	177.5	-72.4	169.7	-173.7	0	0	111	R27 L28 Y33 M34 D35	R27-E31 WeakPolarHBondContact O-CG 3.35Å; R27-E31 PolarHBondContact O-N 3.3Å; L28-E31 PolarHBondContact O-N 3Å; E31-Y33 VanDerWaalsContact C-N 3.31Å; E31-Y33 PolarHBondContact O-N 3.35Å; E31-M34 PolarHBondContact O-N 3.41Å; E31-D35 PolarHBondContact O-N 3.02Å
32	R	86.4	Confident	77.5	Confident	174 Å²	174	87.6 Å²	87.6	66%	0.657	44%	0.436	S	S	*	.	H	α-helix	trans	-66.4	-31.3	178	-68.5	-61.6	-173	148.1	1.6	113.4	L28 V30 N36	L28-R32 WeakPolarHBondContact O-CB 3.47Å; L28-R32 VanDerWaalsContact O-CG 3.27Å; L28-R32 WeakPolarHBondContact O-CG 3.16Å; L28-R32 PolarHBondContact O-N 2.97Å; V30-R32 PolarHBondContact O-N 2.98Å; R32-N36 PolarHBondContact O-N 3.43Å; R32-N36 PolarHBondContact O-ND2 3.37Å
33	Y	82.9	Confident	76.1	Confident	50 Å²	50	86.8 Å²	86.8	20%	0.196	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-45.1	173.8	-175.8	-89.9	0	0	0	110.4	V29 V30 E31 D35 N36 D37 A45	V29-Y33 VanDerWaalsContact O-CB 3.26Å; V29-Y33 WeakPolarHBondContact O-CB 3.45Å; V29-Y33 PolarHBondContact O-N 3.04Å; V30-Y33 WeakPolarHBondContact O-CB 3.32Å; V30-Y33 PolarHBondContact O-N 3.22Å; E31-Y33 VanDerWaalsContact C-N 3.31Å; E31-Y33 PolarHBondContact O-N 3.35Å; Y33-D35 PolarHBondContact O-N 2.79Å; Y33-N36 PolarHBondContact O-N 2.8Å; Y33-D37 VanDerWaalsContact CE1-CG 3.47Å; Y33-D37 WeakPolarHBondContact CE1-OD2 3.45Å; Y33-D37 WeakPolarHBondContact O-CB 3.45Å; Y33-D37 PolarHBondContact O-N 3.33Å; Y33-D37 PolarHBondContact OH-OD1 3.32Å; Y33-A45 HydrophobicContact CD1-CB 3.44Å; Y33-A45 VanDerWaalsContact CD1-CB 3.44Å; Y33-A45 HydrophobicContact CE1-CB 3.69Å; Y33-A45 HydrophobicContact CG-CB 4.14Å
34	M	77.1	Confident	75.5	Confident	80 Å²	80	93.5 Å²	93.5	39%	0.394	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-39.4	178.7	-68.8	-66.3	158.6	0	0	113.1	V30 E31 N36 D37 A45	V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 VanDerWaalsContact O-CG 3.3Å; V30-M34 WeakPolarHBondContact O-CG 3.4Å; V30-M34 PolarHBondContact O-N 2.75Å; E31-M34 PolarHBondContact O-N 3.41Å; M34-N36 VanDerWaalsContact C-N 3.27Å; M34-N36 PolarHBondContact O-N 2.85Å; M34-D37 PolarHBondContact O-N 2.96Å; M34-A45 HydrophobicContact CE-CB 3.91Å; M34-A45 VanDerWaalsContact CE-N 3.32Å; M34-A45 WeakPolarHBondContact CE-O 3.35Å
35	D	77.8	Confident	75.1	Confident	108 Å²	108	89.1 Å²	89.1	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-62	-37.6	176.5	-70	-20.7	0	0	0	111.8	E31 Y33 T38	E31-D35 PolarHBondContact O-N 3.02Å; Y33-D35 PolarHBondContact O-N 2.79Å; D35-T38 PolarHBondContact O-OG1 2.97Å
36	N	68.7	Low	75.1	Confident	105 Å²	105	87.6 Å²	87.6	56%	0.561	43%	0.433	S	S	*	.	H	α-helix	trans	-80.6	-23.2	178.9	-73.1	-50.4	0	0	0	113.5	R32 Y33 M34 T38 K39	R32-N36 PolarHBondContact O-N 3.43Å; R32-N36 PolarHBondContact O-ND2 3.37Å; Y33-N36 PolarHBondContact O-N 2.8Å; M34-N36 VanDerWaalsContact C-N 3.27Å; M34-N36 PolarHBondContact O-N 2.85Å; N36-T38 PolarHBondContact O-N 3.17Å; N36-T38 VanDerWaalsContact O-N 3.17Å; N36-K39 WeakPolarHBondContact O-CB 3.26Å; N36-K39 PolarHBondContact O-N 2.93Å
37	D	57.6	Low	75.1	Confident	27 Å²	27	89.6 Å²	89.6	14%	0.144	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-70.5	-7.6	-175.3	-116.9	13	0	0	0	113.7	Y33 M34 K39 L40	Y33-D37 VanDerWaalsContact CE1-CG 3.47Å; Y33-D37 WeakPolarHBondContact CE1-OD2 3.45Å; Y33-D37 WeakPolarHBondContact O-CB 3.45Å; Y33-D37 PolarHBondContact O-N 3.33Å; Y33-D37 PolarHBondContact OH-OD1 3.32Å; M34-D37 PolarHBondContact O-N 2.96Å; D37-K39 PolarHBondContact O-N 2.86Å; D37-L40 PolarHBondContact O-N 2.81Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 WeakPolarHBondContact OD1-CB 3.3Å
38	T	49.8	Very low	75.1	Confident	131 Å²	131	88.8 Å²	88.8	80%	0.804	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-56.9	-15.6	161.6	48.1	0	0	0	0	112.8	D35 N36	D35-T38 PolarHBondContact O-OG1 2.97Å; N36-T38 PolarHBondContact O-N 3.17Å; N36-T38 VanDerWaalsContact O-N 3.17Å
39	K	49.4	Very low	75.2	Confident	180 Å²	180	90.5 Å²	90.5	78%	0.783	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-106.4	-6.3	177.6	-63.7	-177.5	179.2	175.5	0	115.1	N36 D37	N36-K39 WeakPolarHBondContact O-CB 3.26Å; N36-K39 PolarHBondContact O-N 2.93Å; D37-K39 PolarHBondContact O-N 2.86Å
40	L	51.3	Low	75.4	Confident	90 Å²	90	88.4 Å²	88.4	47%	0.471	43%	0.432	S	S	.	.	S	Bend	trans	-128.6	102.8	-173.5	-70	167.2	0	0	0	109.9	D37 N42	D37-L40 PolarHBondContact O-N 2.81Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 WeakPolarHBondContact OD1-CB 3.3Å; L40-N42 PolarHBondContact O-N 2.8Å
41	E	53	Low	75.8	Confident	177 Å²	177	88.2 Å²	88.2	83%	0.827	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	123.7	-178.2	-64.4	178.8	160.3	0	0	112.9
42	N	55.8	Low	76.2	Confident	134 Å²	134	84 Å²	84	72%	0.717	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	25.2	151.1	-61.8	-30.2	0	0	0	120.4	L40	L40-N42 PolarHBondContact O-N 2.8Å
43	G	64.4	Low	76.6	Confident	14 Å²	14	77.6 Å²	77.6	14%	0.144	39%	0.389	C	S	.	.			trans	-99.3	148	162.8	0	0	0	0	0	112.2
44	K	80.1	Confident	77.2	Confident	154 Å²	154	79.7 Å²	79.7	67%	0.67	40%	0.404	S	S	*	.			trans	-112.5	130.4	162.1	-69.4	-176.2	179.8	-178.1	0	108.8	D13 L14	D13-K44 CarbonylContact C-O 3.57Å; D13-K44 VanDerWaalsContact CA-O 3.28Å; D13-K44 WeakPolarHBondContact CA-O 3.42Å; L14-K44 PolarHBondContact N-O 2.84Å
45	A	86.5	Confident	78.1	Confident	6 Å²	6	80.3 Å²	80.3	5%	0.05	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.9	165	0	0	0	0	0	110	L14 I16 Y33 M34	L14-A45 HydrophobicContact CB-CB 4.05Å; L14-A45 HydrophobicContact CD2-CB 4.05Å; L14-A45 HydrophobicContact CG-CB 4.39Å; L14-A45 WeakPolarHBondContact O-CA 3.18Å; I16-A45 HydrophobicContact CD1-CB 4.44Å; Y33-A45 HydrophobicContact CD1-CB 3.44Å; Y33-A45 VanDerWaalsContact CD1-CB 3.44Å; Y33-A45 HydrophobicContact CE1-CB 3.69Å; Y33-A45 HydrophobicContact CG-CB 4.14Å; M34-A45 HydrophobicContact CE-CB 3.91Å; M34-A45 VanDerWaalsContact CE-N 3.32Å; M34-A45 WeakPolarHBondContact CE-O 3.35Å
46	A	91.3	Very high	79	Confident	34 Å²	34	80.3 Å²	80.3	28%	0.281	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.3	171.4	0	0	0	0	0	110.1	L14 I16 Y48	L14-A46 PolarHBondContact O-N 3.13Å; L14-A46 VanDerWaalsContact O-N 3.11Å; I16-A46 PolarHBondContact N-O 3.21Å; A46-Y48 HydrophobicContact CB-CD2 4.27Å; A46-Y48 HydrophobicContact CB-CE2 3.55Å; A46-Y48 WeakPolarHBondContact O-CD2 3.32Å; A46-Y48 WeakPolarHBondContact O-CE2 3.43Å
47	F	93.1	Very high	80.3	Confident	41 Å²	41	81 Å²	81	18%	0.18	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.7	171.9	176.2	-132.8	0	0	0	109.4	I16 A18 A23 A26 R27 V30 E49	I16-F47 HydrophobicContact CG2-CD2 4.06Å; I16-F47 CarbonylContact O-C 3.57Å; I16-F47 WeakPolarHBondContact O-CA 3.38Å; I16-F47 WeakPolarHBondContact O-CD2 3.49Å; A18-F47 HydrophobicContact CB-CE2 3.67Å; A18-F47 HydrophobicContact CB-CZ 4.12Å; A23-F47 HydrophobicContact CB-CE1 4.21Å; A23-F47 HydrophobicContact CB-CZ 4.03Å; A26-F47 HydrophobicContact CB-CD1 4.45Å; A26-F47 HydrophobicContact CB-CD2 3.69Å; A26-F47 HydrophobicContact CB-CE1 4.36Å; A26-F47 HydrophobicContact CB-CE2 3.63Å; A26-F47 HydrophobicContact CB-CG 4.13Å; A26-F47 HydrophobicContact CB-CZ 3.98Å; R27-F47 HydrophobicContact CG-CD1 3.72Å; R27-F47 HydrophobicContact CG-CE1 4.06Å; V30-F47 HydrophobicContact CG2-CB 3.88Å; F47-E49 HydrophobicContact CD1-CG 3.92Å; F47-E49 HydrophobicContact CE1-CG 3.25Å; F47-E49 HydrophobicContact CE2-CG 4.34Å; F47-E49 HydrophobicContact CZ-CG 3.5Å
48	Y	92.9	Very high	82.1	Confident	83 Å²	83	85 Å²	85	33%	0.325	44%	0.443	S	S	.	.			trans	-113.9	108.2	-177.9	-68.3	-95.1	0	0	0	109.6	C15 I16 A46 I50	C15-Y48 HydrophobicContact CB-CD2 4.24Å; C15-Y48 HydrophobicContact CB-CE2 4.2Å; C15-Y48 WeakPolarHBondContact SG-CD2 3.27Å; I16-Y48 PolarHBondContact O-N 3.48Å; A46-Y48 HydrophobicContact CB-CD2 4.27Å; A46-Y48 HydrophobicContact CB-CE2 3.55Å; A46-Y48 WeakPolarHBondContact O-CD2 3.32Å; A46-Y48 WeakPolarHBondContact O-CE2 3.43Å; Y48-I50 HydrophobicContact CD1-CG2 4.47Å; Y48-I50 PolarHBondContact O-N 3.31Å
49	E	93.8	Very high	84.2	Confident	122 Å²	122	81.2 Å²	81.2	57%	0.57	43%	0.429	S	S	*	.			trans	-82.1	60.6	173.4	-65.4	-175.3	-119.3	0	0	110.2	R27 F47	R27-E49 IonicContact CZ-OE1 3.39Å; R27-E49 IonicContact NE-OE1 3.88Å; R27-E49 IonicContact NH2-OE1 3.02Å; R27-E49 PolarHBondContact NH2-OE1 3.35Å; R27-E49 IonicContact NH2-OE2 3.55Å; R27-E49 PolarHBondContact NH2-OE2 2.97Å; F47-E49 HydrophobicContact CD1-CG 3.92Å; F47-E49 HydrophobicContact CE1-CG 3.25Å; F47-E49 HydrophobicContact CE2-CG 4.34Å; F47-E49 HydrophobicContact CZ-CG 3.5Å
50	I	94.5	Very high	86.4	Confident	13 Å²	13	78.7 Å²	78.7	7%	0.067	42%	0.418	C	S	.	.			trans	-99.8	-12.3	-172.3	58.6	170.3	0	0	0	113.7	I17 Y48 I65 Q66 L71	I17-I50 HydrophobicContact CG2-CD1 4.04Å; I17-I50 HydrophobicContact CG2-CG1 3.97Å; Y48-I50 HydrophobicContact CD1-CG2 4.47Å; Y48-I50 PolarHBondContact O-N 3.31Å; I50-I65 HydrophobicContact CD1-CG2 3.73Å; I50-I65 HydrophobicContact CG1-CG2 4.12Å; I50-I65 CarbonylContact O-C 3.57Å; I50-I65 WeakPolarHBondContact O-CA 3.05Å; I50-Q66 HydrophobicContact CB-CB 4.39Å; I50-Q66 WeakPolarHBondContact CB-O 3.32Å; I50-Q66 WeakPolarHBondContact O-CB 3.48Å; I50-Q66 PolarHBondContact O-N 2.91Å; I50-L71 HydrophobicContact CD1-CD1 4.11Å; I50-L71 HydrophobicContact CD1-CD2 3.83Å; I50-L71 HydrophobicContact CD1-CG 4.07Å
51	V	96.6	Very high	88.5	Confident	19 Å²	19	75.7 Å²	75.7	12%	0.115	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123	-178.7	-172.9	0	0	0	0	109.7	W53 F64 I65 L94	V51-W53 HydrophobicContact CB-CZ2 4.15Å; V51-W53 HydrophobicContact CG1-CD2 4.02Å; V51-W53 HydrophobicContact CG1-CG 4.43Å; V51-W53 HydrophobicContact CG1-CH2 4.31Å; V51-W53 HydrophobicContact CG1-CZ2 3.7Å; V51-F64 CarbonylContact C-O 3.26Å; V51-F64 WeakPolarHBondContact CA-O 3.27Å; V51-I65 HydrophobicContact CG2-CG1 4.49Å; V51-L94 HydrophobicContact CG1-CD1 4.26Å; V51-L94 HydrophobicContact CG1-CD2 4.28Å; V51-L94 HydrophobicContact CG2-CD1 4.14Å; V51-L94 HydrophobicContact CG2-CD2 4.07Å
52	S	96.4	Very high	90.6	Very high	22 Å²	22	70.6 Å²	70.6	15%	0.154	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.5	169.3	-49.8	0	0	0	0	108.7	L63 F64 Q66	S52-L63 WeakPolarHBondContact O-CA 3.3Å; S52-F64 PolarHBondContact N-O 3.39Å; S52-F64 PolarHBondContact O-N 2.67Å; S52-Q66 PolarHBondContact OG-NE2 3.38Å
53	W	95.6	Very high	92.5	Very high	39 Å²	39	66.5 Å²	66.5	15%	0.148	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	46.7	-175.2	-60.5	92.3	0	0	0	111	H19 V51 H55 L63 F78 E90 Q91 L94	H19-W53 HydrophobicContact CB-CZ2 4.17Å; H19-W53 AromaticContact CD2-CD2 3.69Å; H19-W53 AromaticContact CD2-CE2 3.81Å; H19-W53 AromaticContact CD2-CE3 3.72Å; H19-W53 AromaticContact CD2-CZ3 3.93Å; V51-W53 HydrophobicContact CB-CZ2 4.15Å; V51-W53 HydrophobicContact CG1-CD2 4.02Å; V51-W53 HydrophobicContact CG1-CG 4.43Å; V51-W53 HydrophobicContact CG1-CH2 4.31Å; V51-W53 HydrophobicContact CG1-CZ2 3.7Å; W53-H55 PolarHBondContact O-ND1 2.87Å; W53-L63 HydrophobicContact CE3-CD2 3.82Å; W53-L63 HydrophobicContact CZ3-CD2 4.41Å; W53-F78 HydrophobicContact CH2-CE2 4.26Å; W53-F78 AromaticContact CH2-CZ 3.95Å; W53-F78 HydrophobicContact CH2-CZ 3.95Å; W53-F78 HydrophobicContact CZ2-CE2 4.07Å; W53-F78 HydrophobicContact CZ2-CZ 4.16Å; W53-E90 HydrophobicContact CE3-CB 4.27Å; W53-E90 HydrophobicContact CE3-CG 4.07Å; W53-E90 HydrophobicContact CZ3-CB 4.14Å; W53-E90 HydrophobicContact CZ3-CG 3.92Å; W53-Q91 HydrophobicContact CH2-CG 3.58Å; W53-Q91 HydrophobicContact CZ3-CG 3.63Å; W53-L94 HydrophobicContact CH2-CB 4.34Å; W53-L94 HydrophobicContact CH2-CD2 3.55Å; W53-L94 HydrophobicContact CZ2-CD2 3.8Å
54	D	96	Very high	94.1	Very high	94 Å²	94	72.1 Å²	72.1	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	169.1	-176.6	-62.6	-51.7	0	0	0	111.6	N62	D54-N62 HydrophobicContact CB-CB 4.43Å; D54-N62 CarbonylContact O-C 3.58Å; D54-N62 PolarHBondContact O-N 3.48Å
55	H	96.1	Very high	94.8	Very high	93 Å²	93	65.7 Å²	65.7	43%	0.431	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.9	178.8	-68.7	72.7	0	0	0	110.2	W53 G59 F60 E90	W53-H55 PolarHBondContact O-ND1 2.87Å; H55-G59 PolarHBondContact CD2-O 2.82Å; H55-F60 CarbonylContact C-O 3.47Å; H55-F60 WeakPolarHBondContact CA-O 3.49Å; H55-E90 IonicContact CE1-OE2 3.62Å; H55-E90 IonicContact NE2-OE2 3.6Å
56	F	96.1	Very high	95.3	Very high	108 Å²	108	69.7 Å²	69.7	47%	0.474	37%	0.372	S	S	.	.			trans	-70.5	169.5	167.6	-64.3	-67.9	0	0	0	110.8	D58 G59 F60 P61 N62	F56-D58 VanDerWaalsContact CB-OD1 3.29Å; F56-D58 WeakPolarHBondContact CB-OD1 3.33Å; F56-D58 PolarHBondContact O-N 3.27Å; F56-G59 PolarHBondContact O-N 3.09Å; F56-F60 HydrophobicContact CD2-CB 4.45Å; F56-F60 WeakPolarHBondContact CD2-O 3.49Å; F56-F60 PolarHBondContact N-O 3.48Å; F56-P61 WeakPolarHBondContact CE2-O 3.26Å; F56-N62 HydrophobicContact CD1-CB 4.02Å; F56-N62 HydrophobicContact CD2-CB 3.87Å; F56-N62 HydrophobicContact CE1-CB 3.78Å; F56-N62 HydrophobicContact CE2-CB 3.63Å; F56-N62 HydrophobicContact CG-CB 4.06Å; F56-N62 HydrophobicContact CZ-CB 3.58Å; F56-N62 VanDerWaalsContact CZ-CG 3.45Å; F56-N62 VanDerWaalsContact CZ-OD1 3.28Å; F56-N62 WeakPolarHBondContact CZ-OD1 3.16Å
57	A	96.1	Very high	95.4	Very high	119 Å²	119	74.2 Å²	74.2	98%	0.983	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.5	-178.9	0	0	0	0	0	114	G59	A57-G59 VanDerWaalsContact C-N 3.32Å
58	D	95.6	Very high	95.4	Very high	113 Å²	113	73.4 Å²	73.4	60%	0.604	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.4	175.3	60.9	6	0	0	0	113.6	F56 F60	F56-D58 VanDerWaalsContact CB-OD1 3.29Å; F56-D58 WeakPolarHBondContact CB-OD1 3.33Å; F56-D58 PolarHBondContact O-N 3.27Å; D58-F60 HydrophobicContact CB-CD2 4.47Å; D58-F60 PolarHBondContact OD1-N 3.43Å
59	G	93.4	Very high	95.4	Very high	50 Å²	50	77.5 Å²	77.5	52%	0.515	41%	0.411	S	S	.	.	S	Bend	trans	84.6	7.4	179.9	0	0	0	0	0	114.9	H55 F56 A57	H55-G59 PolarHBondContact CD2-O 2.82Å; F56-G59 PolarHBondContact O-N 3.09Å; A57-G59 VanDerWaalsContact C-N 3.32Å
60	F	95.3	Very high	95.4	Very high	127 Å²	127	73.9 Å²	73.9	56%	0.557	40%	0.399	S	S	*	.			trans	-79.6	149.6	169.6	-77.8	-79.9	0	0	0	111.7	H55 F56 D58 N62	H55-F60 CarbonylContact C-O 3.47Å; H55-F60 WeakPolarHBondContact CA-O 3.49Å; F56-F60 HydrophobicContact CD2-CB 4.45Å; F56-F60 WeakPolarHBondContact CD2-O 3.49Å; F56-F60 PolarHBondContact N-O 3.48Å; D58-F60 HydrophobicContact CB-CD2 4.47Å; D58-F60 PolarHBondContact OD1-N 3.43Å; F60-N62 PolarHBondContact O-N 3.22Å
61	P	95.6	Very high	95.3	Very high	28 Å²	28	73.2 Å²	73.2	18%	0.182	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.4	-177.7	-22.6	34.1	0	0	0	113.3	F56 L63 F89 E90	F56-P61 WeakPolarHBondContact CE2-O 3.26Å; P61-L63 HydrophobicContact CB-CD1 4.19Å; P61-L63 HydrophobicContact CB-CD2 3.89Å; P61-L63 HydrophobicContact CB-CG 3.76Å; P61-F89 HydrophobicContact CG-CD1 4.02Å; P61-F89 HydrophobicContact CG-CE1 4.33Å; P61-E90 HydrophobicContact CB-CB 4.02Å; P61-E90 HydrophobicContact CG-CB 3.85Å
62	N	96.9	Very high	95.2	Very high	69 Å²	69	74.8 Å²	74.8	37%	0.369	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	74.1	170.2	-178.5	27	0	0	0	109.1	D54 F56 F60	D54-N62 HydrophobicContact CB-CB 4.43Å; D54-N62 CarbonylContact O-C 3.58Å; D54-N62 PolarHBondContact O-N 3.48Å; F56-N62 HydrophobicContact CD1-CB 4.02Å; F56-N62 HydrophobicContact CD2-CB 3.87Å; F56-N62 HydrophobicContact CE1-CB 3.78Å; F56-N62 HydrophobicContact CE2-CB 3.63Å; F56-N62 HydrophobicContact CG-CB 4.06Å; F56-N62 HydrophobicContact CZ-CB 3.58Å; F56-N62 VanDerWaalsContact CZ-CG 3.45Å; F56-N62 VanDerWaalsContact CZ-OD1 3.28Å; F56-N62 WeakPolarHBondContact CZ-OD1 3.16Å; F60-N62 PolarHBondContact O-N 3.22Å
63	L	96.7	Very high	95.1	Very high	48 Å²	48	75.8 Å²	75.8	25%	0.251	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.7	-171	-52.6	178.1	0	0	0	111.7	S52 W53 P61 E90	S52-L63 WeakPolarHBondContact O-CA 3.3Å; W53-L63 HydrophobicContact CE3-CD2 3.82Å; W53-L63 HydrophobicContact CZ3-CD2 4.41Å; P61-L63 HydrophobicContact CB-CD1 4.19Å; P61-L63 HydrophobicContact CB-CD2 3.89Å; P61-L63 HydrophobicContact CB-CG 3.76Å; L63-E90 HydrophobicContact CD1-CB 3.9Å; L63-E90 WeakPolarHBondContact CD1-O 3.49Å; L63-E90 HydrophobicContact CD2-CB 4.15Å
64	F	96.9	Very high	95	Very high	132 Å²	132	76.5 Å²	76.5	58%	0.579	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.8	176.4	-169.6	-95.9	0	0	0	112.1	V51 S52 Q66	V51-F64 CarbonylContact C-O 3.26Å; V51-F64 WeakPolarHBondContact CA-O 3.27Å; S52-F64 PolarHBondContact N-O 3.39Å; S52-F64 PolarHBondContact O-N 2.67Å; F64-Q66 HydrophobicContact CD1-CG 3.96Å; F64-Q66 HydrophobicContact CE1-CG 4.18Å
65	I	96.6	Very high	94.9	Very high	20 Å²	20	73.4 Å²	73.4	10%	0.103	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.6	173.4	-48.5	178.4	0	0	0	109	I50 V51 V68 L71 L94 L98 Y101	I50-I65 HydrophobicContact CD1-CG2 3.73Å; I50-I65 HydrophobicContact CG1-CG2 4.12Å; I50-I65 CarbonylContact O-C 3.57Å; I50-I65 WeakPolarHBondContact O-CA 3.05Å; V51-I65 HydrophobicContact CG2-CG1 4.49Å; I65-V68 HydrophobicContact CB-CB 4.23Å; I65-V68 HydrophobicContact CB-CG2 4.2Å; I65-V68 HydrophobicContact CD1-CG2 4.34Å; I65-V68 HydrophobicContact CG2-CB 4.02Å; I65-V68 HydrophobicContact CG2-CG2 3.98Å; I65-L71 HydrophobicContact CG2-CD1 4.24Å; I65-L94 HydrophobicContact CD1-CD1 3.53Å; I65-L94 HydrophobicContact CG1-CD1 3.82Å; I65-L98 HydrophobicContact CD1-CD2 4.13Å; I65-Y101 HydrophobicContact CD1-CD2 4.2Å; I65-Y101 HydrophobicContact CD1-CE2 3.76Å
66	Q	96.1	Very high	94.9	Very high	89 Å²	89	69 Å²	69	42%	0.416	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	138.8	174.4	-58.4	-179.1	7	0	0	110.5	I50 S52 F64 V68	I50-Q66 HydrophobicContact CB-CB 4.39Å; I50-Q66 WeakPolarHBondContact CB-O 3.32Å; I50-Q66 WeakPolarHBondContact O-CB 3.48Å; I50-Q66 PolarHBondContact O-N 2.91Å; S52-Q66 PolarHBondContact OG-NE2 3.38Å; F64-Q66 HydrophobicContact CD1-CG 3.96Å; F64-Q66 HydrophobicContact CE1-CG 4.18Å; Q66-V68 PolarHBondContact O-N 2.83Å; Q66-V68 VanDerWaalsContact O-N 3.11Å
67	N	93.1	Very high	95	Very high	130 Å²	130	66 Å²	66	70%	0.695	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.8	176.6	-61.9	-31.3	0	0	0	114.8	H69 C70	N67-H69 PolarHBondContact O-N 2.89Å; N67-C70 WeakPolarHBondContact O-CB 3.42Å; N67-C70 PolarHBondContact O-N 3.37Å; N67-C70 PolarHBondContact O-SG 3.15Å
68	V	94.3	Very high	95	Very high	23 Å²	23	60.3 Å²	60.3	14%	0.139	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-48.4	-29.4	-171.7	70.1	0	0	0	0	115.6	I65 Q66 C70 L71 Y101	I65-V68 HydrophobicContact CB-CB 4.23Å; I65-V68 HydrophobicContact CB-CG2 4.2Å; I65-V68 HydrophobicContact CD1-CG2 4.34Å; I65-V68 HydrophobicContact CG2-CB 4.02Å; I65-V68 HydrophobicContact CG2-CG2 3.98Å; Q66-V68 PolarHBondContact O-N 2.83Å; Q66-V68 VanDerWaalsContact O-N 3.11Å; V68-C70 PolarHBondContact O-N 3.28Å; V68-C70 VanDerWaalsContact O-N 3.09Å; V68-L71 HydrophobicContact CG2-CD1 4.34Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 3.21Å; V68-Y101 HydrophobicContact CG1-CD1 4.34Å; V68-Y101 HydrophobicContact CG1-CE1 4.26Å; V68-Y101 HydrophobicContact CG2-CD1 3.52Å; V68-Y101 HydrophobicContact CG2-CD2 3.42Å; V68-Y101 VanDerWaalsContact CG2-CD2 3.42Å; V68-Y101 HydrophobicContact CG2-CE1 3.75Å; V68-Y101 HydrophobicContact CG2-CE2 3.6Å; V68-Y101 HydrophobicContact CG2-CG 3.36Å
69	H	92.9	Very high	95.1	Very high	169 Å²	169	55 Å²	55	78%	0.782	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58	-21.2	175.7	-61.6	-62	0	0	0	113.9	N67 L71 A72	N67-H69 PolarHBondContact O-N 2.89Å; H69-L71 PolarHBondContact O-N 3.41Å; H69-A72 PolarHBondContact O-N 2.73Å
70	C	92	Very high	95.3	Very high	46 Å²	46	52.6 Å²	52.6	31%	0.311	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.3	-18.5	175.5	73.6	0	0	0	0	113.4	N67 V68 K74	N67-C70 WeakPolarHBondContact O-CB 3.42Å; N67-C70 PolarHBondContact O-N 3.37Å; N67-C70 PolarHBondContact O-SG 3.15Å; V68-C70 PolarHBondContact O-N 3.28Å; V68-C70 VanDerWaalsContact O-N 3.09Å; C70-K74 VanDerWaalsContact O-CG 3.25Å; C70-K74 WeakPolarHBondContact O-CG 3.42Å
71	L	93.6	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-82.7	-21.7	179.9	-60.2	-177.6	0	0	0	113.2	C15 I50 I65 V68 H69 G73 K74 V76 L98 V103	C15-L71 HydrophobicContact CB-CD2 4.46Å; C15-L71 WeakPolarHBondContact SG-CD2 3.35Å; I50-L71 HydrophobicContact CD1-CD1 4.11Å; I50-L71 HydrophobicContact CD1-CD2 3.83Å; I50-L71 HydrophobicContact CD1-CG 4.07Å; I65-L71 HydrophobicContact CG2-CD1 4.24Å; V68-L71 HydrophobicContact CG2-CD1 4.34Å; V68-L71 WeakPolarHBondContact O-CB 3.39Å; V68-L71 PolarHBondContact O-N 3.21Å; H69-L71 PolarHBondContact O-N 3.41Å; L71-G73 PolarHBondContact O-N 3.02Å; L71-K74 WeakPolarHBondContact O-CB 3.11Å; L71-K74 PolarHBondContact O-N 3.29Å; L71-K74 VanDerWaalsContact O-N 3.13Å; L71-V76 HydrophobicContact CD2-CG2 4.28Å; L71-L98 HydrophobicContact CD1-CD2 3.81Å; L71-V103 HydrophobicContact CB-CG1 4.03Å
72	A	94.3	Very high	95.2	Very high	51 Å²	51	46 Å²	46	42%	0.421	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.9	-176	0	0	0	0	0	111.2	H69 K74 A102	H69-A72 PolarHBondContact O-N 2.73Å; A72-K74 PolarHBondContact O-N 3.13Å; A72-A102 HydrophobicContact CB-CB 4.47Å
73	G	93.4	Very high	95	Very high	43 Å²	43	48 Å²	48	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	4.5	-179.3	0	0	0	0	0	115.5	L71 A102	L71-G73 PolarHBondContact O-N 3.02Å; G73-A102 PolarHBondContact N-O 2.77Å
74	K	93.6	Very high	94.8	Very high	54 Å²	54	48.1 Å²	48.1	24%	0.235	26%	0.261	C	S	.	.			trans	-91.5	153	177.7	-59.2	-60.1	-170.3	-175.7	0	112.2	D13 C15 C70 L71 A72 V76 R104	D13-K74 HydrophobicContact CB-CD 4.14Å; D13-K74 IonicContact OD2-NZ 2.72Å; D13-K74 PolarHBondContact OD2-NZ 3.47Å; C15-K74 HydrophobicContact CB-CB 4.31Å; C70-K74 VanDerWaalsContact O-CG 3.25Å; C70-K74 WeakPolarHBondContact O-CG 3.42Å; L71-K74 WeakPolarHBondContact O-CB 3.11Å; L71-K74 PolarHBondContact O-N 3.29Å; L71-K74 VanDerWaalsContact O-N 3.13Å; A72-K74 PolarHBondContact O-N 3.13Å; K74-V76 HydrophobicContact CB-CG2 4.49Å; K74-R104 VanDerWaalsContact O-CB 3.3Å; K74-R104 WeakPolarHBondContact O-CB 3.38Å; K74-R104 PolarHBondContact O-N 3.35Å
75	D	95.1	Very high	94.7	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.16	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.1	162.6	-71.2	-21.5	0	0	0	108.2	S12 L14 C15 R104 S105	S12-D75 VanDerWaalsContact OG-CG 3.3Å; S12-D75 PolarHBondContact OG-OD2 3.32Å; L14-D75 HydrophobicContact CD1-CB 4.11Å; C15-D75 PolarHBondContact N-O 3.19Å; D75-R104 IonicContact OD1-CZ 3.5Å; D75-R104 VanDerWaalsContact OD1-CZ 3.31Å; D75-R104 IonicContact OD1-NE 3.75Å; D75-R104 PolarHBondContact OD1-NE 3.12Å; D75-R104 IonicContact OD1-NH2 2.61Å; D75-R104 PolarHBondContact OD1-NH2 3.38Å; D75-R104 IonicContact OD2-CZ 2.79Å; D75-R104 IonicContact OD2-NE 3.47Å; D75-R104 IonicContact OD2-NH2 3.72Å; D75-R104 PolarHBondContact OD2-NH2 3.19Å; D75-S105 WeakPolarHBondContact CB-OG 3.25Å; D75-S105 PolarHBondContact OD1-OG 3.3Å
76	V	96.1	Very high	94.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.2	-175.2	-178	0	0	0	0	110	C15 I17 L71 K74 V103 S105 L106 T107	C15-V76 HydrophobicContact CB-CG2 4.22Å; C15-V76 CarbonylContact O-C 3.55Å; C15-V76 VanDerWaalsContact O-CA 3.31Å; C15-V76 WeakPolarHBondContact O-CA 3.32Å; I17-V76 HydrophobicContact CD1-CG1 3.76Å; I17-V76 HydrophobicContact CG1-CG1 3.71Å; L71-V76 HydrophobicContact CD2-CG2 4.28Å; K74-V76 HydrophobicContact CB-CG2 4.49Å; V76-V103 HydrophobicContact CG2-CB 4Å; V76-V103 HydrophobicContact CG2-CG1 3.74Å; V76-S105 PolarHBondContact N-O 2.9Å; V76-L106 HydrophobicContact CB-CD1 4.14Å; V76-L106 HydrophobicContact CG1-CD1 4Å; V76-L106 WeakPolarHBondContact O-CA 3.41Å; V76-T107 PolarHBondContact O-N 2.87Å
77	I	96.7	Very high	94.5	Very high	43 Å²	43	46 Å²	46	22%	0.221	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.2	164.5	-65.3	174.2	0	0	0	108.2	L14 C15 I16 I17 L79 T107	L14-I77 HydrophobicContact CD1-CD1 3.75Å; L14-I77 HydrophobicContact CD1-CG1 3.85Å; L14-I77 HydrophobicContact CD2-CD1 3.88Å; L14-I77 HydrophobicContact CG-CD1 4.2Å; C15-I77 PolarHBondContact O-N 3.32Å; I16-I77 WeakPolarHBondContact CA-O 3.27Å; I16-I77 HydrophobicContact CG1-CB 4.21Å; I17-I77 WeakPolarHBondContact CG1-O 3.44Å; I17-I77 PolarHBondContact N-O 3.24Å; I77-L79 HydrophobicContact CG2-CD1 4.14Å; I77-T107 CarbonylContact C-O 3.53Å; I77-T107 VanDerWaalsContact CA-O 3.25Å; I77-T107 WeakPolarHBondContact CA-O 3.39Å
78	F	97.7	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.2	171.1	179.9	-113.9	0	0	0	110.9	I17 H19 W53 A80 Q91 L94 L95 T107 V108 L109	I17-F78 HydrophobicContact CB-CD2 4.36Å; I17-F78 HydrophobicContact CD1-CB 4.12Å; I17-F78 HydrophobicContact CD1-CD2 3.72Å; I17-F78 HydrophobicContact CD1-CG 4.3Å; I17-F78 HydrophobicContact CG1-CB 4.07Å; I17-F78 HydrophobicContact CG1-CD2 3.78Å; I17-F78 HydrophobicContact CG1-CG 4.41Å; I17-F78 CarbonylContact O-C 3.59Å; I17-F78 WeakPolarHBondContact O-CA 3.44Å; H19-F78 HydrophobicContact CB-CZ 4.38Å; W53-F78 HydrophobicContact CH2-CE2 4.26Å; W53-F78 AromaticContact CH2-CZ 3.95Å; W53-F78 HydrophobicContact CH2-CZ 3.95Å; W53-F78 HydrophobicContact CZ2-CE2 4.07Å; W53-F78 HydrophobicContact CZ2-CZ 4.16Å; F78-A80 HydrophobicContact CD1-CB 3.82Å; F78-A80 HydrophobicContact CE1-CB 3.56Å; F78-A80 PolarHBondContact O-N 2.89Å; F78-Q91 HydrophobicContact CE1-CB 4.35Å; F78-Q91 HydrophobicContact CE1-CG 4.26Å; F78-Q91 HydrophobicContact CZ-CB 4.45Å; F78-Q91 HydrophobicContact CZ-CG 3.95Å; F78-L94 HydrophobicContact CD2-CD2 4.18Å; F78-L94 HydrophobicContact CE2-CD2 3.65Å; F78-L94 HydrophobicContact CZ-CD2 3.96Å; F78-L95 HydrophobicContact CB-CD2 4.35Å; F78-L95 HydrophobicContact CD1-CD1 4.37Å; F78-L95 HydrophobicContact CD1-CD2 3.57Å; F78-L95 HydrophobicContact CD1-CG 4.11Å; F78-L95 HydrophobicContact CE1-CD1 4.37Å; F78-L95 HydrophobicContact CE1-CD2 4.17Å; F78-L95 HydrophobicContact CE1-CG 4.22Å; F78-L95 HydrophobicContact CG-CD2 4.17Å; F78-T107 PolarHBondContact N-O 3.17Å; F78-V108 HydrophobicContact CD1-CG1 4.31Å; F78-V108 WeakPolarHBondContact O-CA 3.41Å; F78-L109 PolarHBondContact O-N 3.37Å
79	L	96.9	Very high	94.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101	170.2	-70	88.7	0	0	0	109.2	I16 I17 A18 H19 Q22 L25 A26 V29 I77 L109	I16-L79 HydrophobicContact CG2-CD1 3.28Å; I17-L79 PolarHBondContact O-N 3.36Å; A18-L79 WeakPolarHBondContact CA-O 3.44Å; A18-L79 HydrophobicContact CB-CB 3.9Å; H19-L79 PolarHBondContact N-O 2.97Å; H19-L79 VanDerWaalsContact N-O 3.1Å; Q22-L79 HydrophobicContact CB-CB 4.1Å; L25-L79 HydrophobicContact CB-CD2 4.32Å; L25-L79 HydrophobicContact CD2-CD2 3.98Å; L25-L79 HydrophobicContact CG-CD2 3.85Å; A26-L79 HydrophobicContact CB-CD1 4.05Å; A26-L79 HydrophobicContact CB-CD2 4.13Å; V29-L79 HydrophobicContact CG2-CD2 4.44Å; I77-L79 HydrophobicContact CG2-CD1 4.14Å; L79-L109 HydrophobicContact CD2-CD2 3.87Å; L79-L109 HydrophobicContact CG-CB 4.41Å; L79-L109 HydrophobicContact CG-CD2 3.86Å
80	A	96.8	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.			trans	-86.4	156.3	-178.6	0	0	0	0	0	111.9	F78 F82 V108 L109 L110 P111	F78-A80 HydrophobicContact CD1-CB 3.82Å; F78-A80 HydrophobicContact CE1-CB 3.56Å; F78-A80 PolarHBondContact O-N 2.89Å; A80-F82 HydrophobicContact CB-CD1 4.45Å; A80-F82 HydrophobicContact CB-CE1 4.13Å; A80-V108 HydrophobicContact CB-CG1 3.87Å; A80-L109 PolarHBondContact N-O 3.29Å; A80-L110 HydrophobicContact CB-CD1 3.92Å; A80-P111 WeakPolarHBondContact O-CD 3.3Å
81	S	94.8	Very high	95.3	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	21%	0.212	C	C	.	.			trans	-143.4	98.7	173	178.6	0	0	0	0	111.7	S21 H83 V87 Q91	S21-S81 WeakPolarHBondContact OG-CB 3.43Å; S21-S81 PolarHBondContact OG-OG 2.94Å; S21-S81 VanDerWaalsContact OG-OG 3.07Å; S81-H83 PolarHBondContact O-N 3.16Å; S81-H83 VanDerWaalsContact O-N 3.1Å; S81-H83 PolarHBondContact O-ND1 3.1Å; S81-H83 PolarHBondContact OG-ND1 3.45Å; S81-V87 WeakPolarHBondContact O-CG1 3.39Å; S81-Q91 PolarHBondContact O-NE2 3.07Å
82	F	95.4	Very high	95.5	Very high	5 Å²	5	36 Å²	36	2%	0.022	21%	0.214	C	C	.	.			trans	-90.3	48.2	-177.9	-70.1	1.5	0	0	0	112.3	A80 C84 I88 Q91 L92 L95 L110 P114 L133 L137	A80-F82 HydrophobicContact CB-CD1 4.45Å; A80-F82 HydrophobicContact CB-CE1 4.13Å; F82-C84 VanDerWaalsContact C-N 3.35Å; F82-C84 PolarHBondContact O-N 3.1Å; F82-I88 HydrophobicContact CB-CD1 4.16Å; F82-I88 HydrophobicContact CB-CG1 3.66Å; F82-I88 HydrophobicContact CD1-CG1 4.21Å; F82-I88 HydrophobicContact CD2-CG1 4.17Å; F82-I88 HydrophobicContact CG-CG1 3.79Å; F82-Q91 HydrophobicContact CD1-CB 4.48Å; F82-Q91 HydrophobicContact CE1-CB 3.78Å; F82-L92 HydrophobicContact CZ-CD2 4.33Å; F82-L95 HydrophobicContact CZ-CD1 4.42Å; F82-L110 HydrophobicContact CB-CD1 4.04Å; F82-L110 HydrophobicContact CD1-CD1 4.06Å; F82-L110 HydrophobicContact CD2-CD1 3.88Å; F82-L110 HydrophobicContact CD2-CD2 3.89Å; F82-L110 HydrophobicContact CE2-CD1 4.41Å; F82-L110 HydrophobicContact CE2-CD2 4.12Å; F82-L110 HydrophobicContact CG-CD1 3.7Å; F82-P114 HydrophobicContact CB-CG 3.78Å; F82-P114 WeakPolarHBondContact O-CG 3.27Å; F82-L133 HydrophobicContact CD2-CD1 4.31Å; F82-L133 HydrophobicContact CD2-CD2 4.13Å; F82-L133 HydrophobicContact CE2-CD1 4.12Å; F82-L137 HydrophobicContact CE2-CD1 4.06Å; F82-L137 HydrophobicContact CE2-CD2 3.8Å; F82-L137 HydrophobicContact CE2-CG 4.17Å; F82-L137 HydrophobicContact CZ-CD2 3.85Å
83	H	91.5	Very high	95.6	Very high	110 Å²	110	35.7 Å²	35.7	51%	0.509	21%	0.209	S	C	.	.			trans	-76.1	-17.7	-170.6	62.5	-89.4	0	0	0	114.3	H19 S81 V87	H19-H83 AromaticContact CE1-CE1 3.83Å; S81-H83 PolarHBondContact O-N 3.16Å; S81-H83 VanDerWaalsContact O-N 3.1Å; S81-H83 PolarHBondContact O-ND1 3.1Å; S81-H83 PolarHBondContact OG-ND1 3.45Å; H83-V87 VanDerWaalsContact CE1-CG1 3.49Å; H83-V87 WeakPolarHBondContact CE1-CG1 3.18Å
84	C	93.7	Very high	95.8	Very high	51 Å²	51	34 Å²	34	35%	0.345	19%	0.189	S	C	.	.	S	Bend	trans	-152.7	163	170.4	69.1	0	0	0	0	112.1	F82 V87 I88	F82-C84 VanDerWaalsContact C-N 3.35Å; F82-C84 PolarHBondContact O-N 3.1Å; C84-V87 PolarHBondContact O-N 2.96Å; C84-V87 WeakPolarHBondContact SG-CG2 3.47Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.16Å; C84-I88 VanDerWaalsContact O-N 3.11Å
85	S	93.6	Very high	96	Very high	95 Å²	95	31.4 Å²	31.4	66%	0.664	18%	0.178	S	C	*	.	H	α-helix	trans	-59.4	-44.2	-173.1	-170.7	0	0	0	0	114.8	V87 I88 F89	S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.46Å; S85-I88 WeakPolarHBondContact O-CB 3.32Å; S85-I88 PolarHBondContact O-N 3.46Å; S85-F89 PolarHBondContact O-N 3.49Å
86	P	94.3	Very high	96.1	Very high	87 Å²	87	33.6 Å²	33.6	57%	0.565	19%	0.185	S	C	*	.	H	α-helix	trans	-61.8	-40.4	176.7	-24.4	35.4	0	0	0	112.4	I88 F89 E90	P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 3Å; P86-F89 WeakPolarHBondContact O-CB 3.41Å; P86-F89 PolarHBondContact O-N 3.27Å; P86-E90 PolarHBondContact O-N 3.33Å
87	V	95.6	Very high	96.2	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-28.2	-179.5	166.8	0	0	0	0	112.6	S81 H83 C84 S85 E90 Q91	S81-V87 WeakPolarHBondContact O-CG1 3.39Å; H83-V87 VanDerWaalsContact CE1-CG1 3.49Å; H83-V87 WeakPolarHBondContact CE1-CG1 3.18Å; C84-V87 PolarHBondContact O-N 2.96Å; C84-V87 WeakPolarHBondContact SG-CG2 3.47Å; S85-V87 VanDerWaalsContact C-N 3.3Å; S85-V87 PolarHBondContact O-N 3.46Å; V87-E90 WeakPolarHBondContact CG1-OE1 3.34Å; V87-E90 WeakPolarHBondContact O-CG 3.32Å; V87-Q91 WeakPolarHBondContact O-CG 3.47Å; V87-Q91 PolarHBondContact O-N 3.25Å; V87-Q91 PolarHBondContact O-NE2 2.72Å
88	I	97.2	Very high	96.2	Very high	26 Å²	26	35.4 Å²	35.4	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-44.3	171.4	-67.5	170.1	0	0	0	110.1	F82 C84 S85 P86 Q91 L92 P114 L133	F82-I88 HydrophobicContact CB-CD1 4.16Å; F82-I88 HydrophobicContact CB-CG1 3.66Å; F82-I88 HydrophobicContact CD1-CG1 4.21Å; F82-I88 HydrophobicContact CD2-CG1 4.17Å; F82-I88 HydrophobicContact CG-CG1 3.79Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.16Å; C84-I88 VanDerWaalsContact O-N 3.11Å; S85-I88 WeakPolarHBondContact O-CB 3.32Å; S85-I88 PolarHBondContact O-N 3.46Å; P86-I88 VanDerWaalsContact C-N 3.27Å; P86-I88 PolarHBondContact O-N 3Å; I88-Q91 PolarHBondContact O-N 3.17Å; I88-L92 HydrophobicContact CG2-CD1 3.7Å; I88-L92 HydrophobicContact CG2-CG 4.15Å; I88-L92 WeakPolarHBondContact O-CB 3.27Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 2.79Å; I88-P114 HydrophobicContact CD1-CG 4.15Å; I88-L133 HydrophobicContact CG2-CD1 3.81Å
89	F	96.6	Very high	96.1	Very high	116 Å²	116	35.8 Å²	35.8	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-45.3	-175.7	178.7	-96.1	0	0	0	112.4	P61 S85 P86 Q91 L92 S93	P61-F89 HydrophobicContact CG-CD1 4.02Å; P61-F89 HydrophobicContact CG-CE1 4.33Å; S85-F89 PolarHBondContact O-N 3.49Å; P86-F89 WeakPolarHBondContact O-CB 3.41Å; P86-F89 PolarHBondContact O-N 3.27Å; F89-Q91 VanDerWaalsContact C-N 3.33Å; F89-Q91 PolarHBondContact O-N 3.23Å; F89-L92 PolarHBondContact O-N 2.74Å; F89-S93 WeakPolarHBondContact O-CB 3.49Å; F89-S93 PolarHBondContact O-N 3.37Å; F89-S93 PolarHBondContact O-OG 2.9Å
90	E	96.6	Very high	96	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-41.2	176.6	57.4	178.1	-159.3	0	0	112	H19 W53 H55 P61 L63 P86 V87 S93 L94	H19-E90 IonicContact CD2-OE1 3.31Å; H19-E90 PolarHBondContact CD2-OE1 2.83Å; H19-E90 IonicContact NE2-OE1 2.66Å; H19-E90 PolarHBondContact NE2-OE1 3.35Å; H19-E90 VanDerWaalsContact NE2-OE1 3.14Å; W53-E90 HydrophobicContact CE3-CB 4.27Å; W53-E90 HydrophobicContact CE3-CG 4.07Å; W53-E90 HydrophobicContact CZ3-CB 4.14Å; W53-E90 HydrophobicContact CZ3-CG 3.92Å; H55-E90 IonicContact CE1-OE2 3.62Å; H55-E90 IonicContact NE2-OE2 3.6Å; P61-E90 HydrophobicContact CB-CB 4.02Å; P61-E90 HydrophobicContact CG-CB 3.85Å; L63-E90 HydrophobicContact CD1-CB 3.9Å; L63-E90 WeakPolarHBondContact CD1-O 3.49Å; L63-E90 HydrophobicContact CD2-CB 4.15Å; P86-E90 PolarHBondContact O-N 3.33Å; V87-E90 WeakPolarHBondContact CG1-OE1 3.34Å; V87-E90 WeakPolarHBondContact O-CG 3.32Å; E90-S93 WeakPolarHBondContact O-CB 3.43Å; E90-S93 PolarHBondContact O-N 3.39Å; E90-L94 PolarHBondContact O-N 3.18Å
91	Q	97.8	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.5	-38.1	-177.8	-76.8	177.7	82.1	0	0	112.2	H19 W53 F78 S81 F82 V87 I88 F89 S93 L94 L95	H19-Q91 HydrophobicContact CB-CG 4.46Å; W53-Q91 HydrophobicContact CH2-CG 3.58Å; W53-Q91 HydrophobicContact CZ3-CG 3.63Å; F78-Q91 HydrophobicContact CE1-CB 4.35Å; F78-Q91 HydrophobicContact CE1-CG 4.26Å; F78-Q91 HydrophobicContact CZ-CB 4.45Å; F78-Q91 HydrophobicContact CZ-CG 3.95Å; S81-Q91 PolarHBondContact O-NE2 3.07Å; F82-Q91 HydrophobicContact CD1-CB 4.48Å; F82-Q91 HydrophobicContact CE1-CB 3.78Å; V87-Q91 WeakPolarHBondContact O-CG 3.47Å; V87-Q91 PolarHBondContact O-N 3.25Å; V87-Q91 PolarHBondContact O-NE2 2.72Å; I88-Q91 PolarHBondContact O-N 3.17Å; F89-Q91 VanDerWaalsContact C-N 3.33Å; F89-Q91 PolarHBondContact O-N 3.23Å; Q91-S93 VanDerWaalsContact C-N 3.27Å; Q91-S93 PolarHBondContact O-N 3.37Å; Q91-L94 PolarHBondContact O-N 2.89Å; Q91-L95 WeakPolarHBondContact O-CB 3.46Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 3.3Å
92	L	97.7	Very high	96	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-41.7	169.9	-72.9	175.3	0	0	0	110.9	F82 I88 F89 L94 L95 Y96 M136 L137	F82-L92 HydrophobicContact CZ-CD2 4.33Å; I88-L92 HydrophobicContact CG2-CD1 3.7Å; I88-L92 HydrophobicContact CG2-CG 4.15Å; I88-L92 WeakPolarHBondContact O-CB 3.27Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 2.79Å; F89-L92 PolarHBondContact O-N 2.74Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.24Å; L92-L95 PolarHBondContact O-N 3.15Å; L92-Y96 HydrophobicContact CB-CE2 4.35Å; L92-Y96 HydrophobicContact CD2-CE1 4.21Å; L92-Y96 WeakPolarHBondContact O-CD1 3.19Å; L92-Y96 PolarHBondContact O-N 3.11Å; L92-M136 HydrophobicContact CD1-CB 3.99Å; L92-M136 HydrophobicContact CD1-SD 4.23Å; L92-L137 HydrophobicContact CD2-CD2 3.81Å; L92-L137 HydrophobicContact CD2-CG 4.2Å
93	S	97.4	Very high	96	Very high	44 Å²	44	47.7 Å²	47.7	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-58.3	-44	176.1	-54.4	0	0	0	0	111.9	F89 E90 Q91	F89-S93 WeakPolarHBondContact O-CB 3.49Å; F89-S93 PolarHBondContact O-N 3.37Å; F89-S93 PolarHBondContact O-OG 2.9Å; E90-S93 WeakPolarHBondContact O-CB 3.43Å; E90-S93 PolarHBondContact O-N 3.39Å; Q91-S93 VanDerWaalsContact C-N 3.27Å; Q91-S93 PolarHBondContact O-N 3.37Å
94	L	97.5	Very high	96.2	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-50.1	172.9	177.9	70	0	0	0	111.7	V51 W53 I65 F78 E90 Q91 L92 Y96 Q97 L98	V51-L94 HydrophobicContact CG1-CD1 4.26Å; V51-L94 HydrophobicContact CG1-CD2 4.28Å; V51-L94 HydrophobicContact CG2-CD1 4.14Å; V51-L94 HydrophobicContact CG2-CD2 4.07Å; W53-L94 HydrophobicContact CH2-CB 4.34Å; W53-L94 HydrophobicContact CH2-CD2 3.55Å; W53-L94 HydrophobicContact CZ2-CD2 3.8Å; I65-L94 HydrophobicContact CD1-CD1 3.53Å; I65-L94 HydrophobicContact CG1-CD1 3.82Å; F78-L94 HydrophobicContact CD2-CD2 4.18Å; F78-L94 HydrophobicContact CE2-CD2 3.65Å; F78-L94 HydrophobicContact CZ-CD2 3.96Å; E90-L94 PolarHBondContact O-N 3.18Å; Q91-L94 PolarHBondContact O-N 2.89Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.24Å; L94-Y96 VanDerWaalsContact C-N 3.28Å; L94-Y96 PolarHBondContact O-N 3.17Å; L94-Q97 PolarHBondContact O-N 3.38Å; L94-L98 HydrophobicContact CD1-CD2 4.23Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.25Å; L94-L98 HydrophobicContact CG-CG 4.18Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 3.01Å
95	L	97.8	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-35.3	-175.1	-76.2	173.1	0	0	0	113	F78 F82 Q91 L92 Q97 L98 P99 L106 V108 L137 I140	F78-L95 HydrophobicContact CB-CD2 4.35Å; F78-L95 HydrophobicContact CD1-CD1 4.37Å; F78-L95 HydrophobicContact CD1-CD2 3.57Å; F78-L95 HydrophobicContact CD1-CG 4.11Å; F78-L95 HydrophobicContact CE1-CD1 4.37Å; F78-L95 HydrophobicContact CE1-CD2 4.17Å; F78-L95 HydrophobicContact CE1-CG 4.22Å; F78-L95 HydrophobicContact CG-CD2 4.17Å; F82-L95 HydrophobicContact CZ-CD1 4.42Å; Q91-L95 WeakPolarHBondContact O-CB 3.46Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 3.3Å; L92-L95 PolarHBondContact O-N 3.15Å; L95-Q97 VanDerWaalsContact C-N 3.26Å; L95-Q97 PolarHBondContact O-N 3.27Å; L95-L98 HydrophobicContact CD2-CD1 4.2Å; L95-P99 WeakPolarHBondContact O-CD 3.39Å; L95-L106 HydrophobicContact CD2-CD2 4.39Å; L95-V108 HydrophobicContact CD1-CG1 4.49Å; L95-V108 HydrophobicContact CD1-CG2 4.31Å; L95-V108 HydrophobicContact CD2-CG2 3.4Å; L95-V108 VanDerWaalsContact CD2-CG2 3.4Å; L95-L137 HydrophobicContact CD1-CD2 4.39Å; L95-I140 HydrophobicContact CB-CD1 4.05Å; L95-I140 HydrophobicContact CB-CG1 4.11Å; L95-I140 HydrophobicContact CD1-CD1 4.1Å; L95-I140 HydrophobicContact CG-CD1 4.46Å
96	Y	97.2	Very high	96.5	Very high	76 Å²	76	40.4 Å²	40.4	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-69	-27	175.2	-63.1	-14.1	0	0	0	112.5	L92 L94 M136 Q139 I140 P141	L92-Y96 HydrophobicContact CB-CE2 4.35Å; L92-Y96 HydrophobicContact CD2-CE1 4.21Å; L92-Y96 WeakPolarHBondContact O-CD1 3.19Å; L92-Y96 PolarHBondContact O-N 3.11Å; L94-Y96 VanDerWaalsContact C-N 3.28Å; L94-Y96 PolarHBondContact O-N 3.17Å; Y96-M136 PolarHBondContact OH-O 2.88Å; Y96-Q139 HydrophobicContact CE1-CB 4.04Å; Y96-I140 HydrophobicContact CD1-CG1 3.92Å; Y96-I140 HydrophobicContact CE1-CG1 3.98Å; Y96-P141 WeakPolarHBondContact O-CG 3.5Å
97	Q	96.8	Very high	96.7	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-90.7	-31.1	-177.3	-170.5	61.8	34.8	0	0	113.2	L94 L95 M100 Y101	L94-Q97 PolarHBondContact O-N 3.38Å; L95-Q97 VanDerWaalsContact C-N 3.26Å; L95-Q97 PolarHBondContact O-N 3.27Å; Q97-M100 VanDerWaalsContact O-CB 3.26Å; Q97-M100 WeakPolarHBondContact O-CB 3.18Å; Q97-M100 PolarHBondContact O-N 3.38Å; Q97-Y101 HydrophobicContact CB-CE2 4.47Å; Q97-Y101 HydrophobicContact CG-CD2 4.17Å; Q97-Y101 HydrophobicContact CG-CE2 3.36Å; Q97-Y101 WeakPolarHBondContact O-CD2 3.37Å
98	L	96.6	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-51.3	-48.1	-178.1	-73.1	172.6	0	0	0	113.7	I17 I65 L71 L94 L95 M100 Y101 V103 L106	I17-L98 HydrophobicContact CD1-CD1 3.61Å; I17-L98 HydrophobicContact CD1-CD2 3.84Å; I17-L98 HydrophobicContact CD1-CG 4.39Å; I65-L98 HydrophobicContact CD1-CD2 4.13Å; L71-L98 HydrophobicContact CD1-CD2 3.81Å; L94-L98 HydrophobicContact CD1-CD2 4.23Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.25Å; L94-L98 HydrophobicContact CG-CG 4.18Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 3.01Å; L95-L98 HydrophobicContact CD2-CD1 4.2Å; L98-M100 PolarHBondContact O-N 2.85Å; L98-Y101 PolarHBondContact O-N 3.17Å; L98-Y101 VanDerWaalsContact O-N 3.15Å; L98-V103 WeakPolarHBondContact O-CG1 3.47Å; L98-L106 HydrophobicContact CB-CD2 4.38Å; L98-L106 HydrophobicContact CD1-CD1 4.01Å; L98-L106 HydrophobicContact CD1-CD2 4.5Å
99	P	96.3	Very high	96.7	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.058	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-55.4	-33.3	176.4	-28.1	37.7	0	0	0	114.3	L95 Y101 A102 L106 I140 P141 T143	L95-P99 WeakPolarHBondContact O-CD 3.39Å; P99-Y101 PolarHBondContact O-N 2.79Å; P99-A102 PolarHBondContact O-N 2.86Å; P99-L106 HydrophobicContact CG-CD2 4.25Å; P99-I140 HydrophobicContact CG-CG2 4.11Å; P99-P141 HydrophobicContact CB-CB 4.02Å; P99-P141 HydrophobicContact CG-CB 4.23Å; P99-P141 WeakPolarHBondContact CG-O 3.29Å; P99-T143 HydrophobicContact CB-CG2 4.39Å; P99-T143 HydrophobicContact CG-CG2 4.35Å
100	M	95.5	Very high	96.7	Very high	125 Å²	125	32.4 Å²	32.4	62%	0.616	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-69.3	-16.2	-176.4	-54.3	-56.6	-66.9	0	0	113.1	Q97 L98 A102	Q97-M100 VanDerWaalsContact O-CB 3.26Å; Q97-M100 WeakPolarHBondContact O-CB 3.18Å; Q97-M100 PolarHBondContact O-N 3.38Å; L98-M100 PolarHBondContact O-N 2.85Å; M100-A102 VanDerWaalsContact C-N 3.27Å; M100-A102 PolarHBondContact O-N 3.26Å
101	Y	95.9	Very high	96.5	Very high	84 Å²	84	33.8 Å²	33.8	33%	0.329	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-92.1	24.1	175.3	-62.5	-62.7	0	0	0	113.5	I65 V68 Q97 L98 P99 V103	I65-Y101 HydrophobicContact CD1-CD2 4.2Å; I65-Y101 HydrophobicContact CD1-CE2 3.76Å; V68-Y101 HydrophobicContact CG1-CD1 4.34Å; V68-Y101 HydrophobicContact CG1-CE1 4.26Å; V68-Y101 HydrophobicContact CG2-CD1 3.52Å; V68-Y101 HydrophobicContact CG2-CD2 3.42Å; V68-Y101 VanDerWaalsContact CG2-CD2 3.42Å; V68-Y101 HydrophobicContact CG2-CE1 3.75Å; V68-Y101 HydrophobicContact CG2-CE2 3.6Å; V68-Y101 HydrophobicContact CG2-CG 3.36Å; Q97-Y101 HydrophobicContact CB-CE2 4.47Å; Q97-Y101 HydrophobicContact CG-CD2 4.17Å; Q97-Y101 HydrophobicContact CG-CE2 3.36Å; Q97-Y101 WeakPolarHBondContact O-CD2 3.37Å; L98-Y101 PolarHBondContact O-N 3.17Å; L98-Y101 VanDerWaalsContact O-N 3.15Å; P99-Y101 PolarHBondContact O-N 2.79Å; Y101-V103 VanDerWaalsContact C-N 3.27Å; Y101-V103 PolarHBondContact O-N 3.02Å
102	A	95.2	Very high	96.2	Very high	58 Å²	58	38.4 Å²	38.4	48%	0.479	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	34	177	0	0	0	0	0	113.9	A72 G73 P99 M100 R104	A72-A102 HydrophobicContact CB-CB 4.47Å; G73-A102 PolarHBondContact N-O 2.77Å; P99-A102 PolarHBondContact O-N 2.86Å; M100-A102 VanDerWaalsContact C-N 3.27Å; M100-A102 PolarHBondContact O-N 3.26Å; A102-R104 PolarHBondContact O-N 2.87Å
103	V	96	Very high	96	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.			trans	-58.9	138	168.1	-56.8	0	0	0	0	109.1	L71 V76 L98 Y101 T143 A144	L71-V103 HydrophobicContact CB-CG1 4.03Å; V76-V103 HydrophobicContact CG2-CB 4Å; V76-V103 HydrophobicContact CG2-CG1 3.74Å; L98-V103 WeakPolarHBondContact O-CG1 3.47Å; Y101-V103 VanDerWaalsContact C-N 3.27Å; Y101-V103 PolarHBondContact O-N 3.02Å; V103-T143 HydrophobicContact CG2-CG2 3.78Å; V103-A144 PolarHBondContact O-N 2.96Å
104	R	95.5	Very high	95.8	Very high	78 Å²	78	37.6 Å²	37.6	29%	0.294	19%	0.188	S	C	.	.	S	Bend	trans	-70.3	-49.5	-177.2	-172.7	175.8	80.1	-178.8	11.7	111	S12 K74 D75 A102 T143 C145	S12-R104 VanDerWaalsContact CB-CZ 3.48Å; S12-R104 PolarHBondContact OG-NH1 3.45Å; S12-R104 PolarHBondContact OG-NH2 3.07Å; K74-R104 VanDerWaalsContact O-CB 3.3Å; K74-R104 WeakPolarHBondContact O-CB 3.38Å; K74-R104 PolarHBondContact O-N 3.35Å; D75-R104 IonicContact OD1-CZ 3.5Å; D75-R104 VanDerWaalsContact OD1-CZ 3.31Å; D75-R104 IonicContact OD1-NE 3.75Å; D75-R104 PolarHBondContact OD1-NE 3.12Å; D75-R104 IonicContact OD1-NH2 2.61Å; D75-R104 PolarHBondContact OD1-NH2 3.38Å; D75-R104 IonicContact OD2-CZ 2.79Å; D75-R104 IonicContact OD2-NE 3.47Å; D75-R104 IonicContact OD2-NH2 3.72Å; D75-R104 PolarHBondContact OD2-NH2 3.19Å; A102-R104 PolarHBondContact O-N 2.87Å; R104-T143 PolarHBondContact O-OG1 3.26Å; R104-C145 WeakPolarHBondContact CG-SG 3.3Å; R104-C145 WeakPolarHBondContact O-CB 3.49Å; R104-C145 PolarHBondContact O-N 2.96Å; R104-C145 PolarHBondContact O-SG 2.57Å
105	S	96.2	Very high	95.7	Very high	26 Å²	26	38.7 Å²	38.7	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.3	174.4	69.9	0	0	0	0	110	D75 V76	D75-S105 WeakPolarHBondContact CB-OG 3.25Å; D75-S105 PolarHBondContact OD1-OG 3.3Å; V76-S105 PolarHBondContact N-O 2.9Å
106	L	97.5	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.8	178.8	179.7	62.3	0	0	0	109.5	V76 L95 L98 P99 V108 I140 T143 C148 Y149	V76-L106 HydrophobicContact CB-CD1 4.14Å; V76-L106 HydrophobicContact CG1-CD1 4Å; V76-L106 WeakPolarHBondContact O-CA 3.41Å; L95-L106 HydrophobicContact CD2-CD2 4.39Å; L98-L106 HydrophobicContact CB-CD2 4.38Å; L98-L106 HydrophobicContact CD1-CD1 4.01Å; L98-L106 HydrophobicContact CD1-CD2 4.5Å; P99-L106 HydrophobicContact CG-CD2 4.25Å; L106-V108 HydrophobicContact CG-CG2 4.39Å; L106-I140 HydrophobicContact CD2-CG2 4.07Å; L106-T143 HydrophobicContact CB-CG2 3.55Å; L106-C148 HydrophobicContact CD2-CB 4.46Å; L106-C148 WeakPolarHBondContact O-CA 3.49Å; L106-C148 PolarHBondContact O-SG 3.33Å; L106-Y149 PolarHBondContact O-N 2.99Å
107	T	97.4	Very high	95.1	Very high	39 Å²	39	38.2 Å²	38.2	24%	0.239	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.4	168.7	-58.6	0	0	0	0	109	V76 I77 F78 Y149	V76-T107 PolarHBondContact O-N 2.87Å; I77-T107 CarbonylContact C-O 3.53Å; I77-T107 VanDerWaalsContact CA-O 3.25Å; I77-T107 WeakPolarHBondContact CA-O 3.39Å; F78-T107 PolarHBondContact N-O 3.17Å; T107-Y149 CarbonylContact C-O 3.41Å; T107-Y149 VanDerWaalsContact CA-O 3.27Å; T107-Y149 WeakPolarHBondContact CA-O 3.49Å
108	V	97.7	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119	172.2	179.1	0	0	0	0	108	F78 A80 L95 L106 Y149 L150 A151	F78-V108 HydrophobicContact CD1-CG1 4.31Å; F78-V108 WeakPolarHBondContact O-CA 3.41Å; A80-V108 HydrophobicContact CB-CG1 3.87Å; L95-V108 HydrophobicContact CD1-CG1 4.49Å; L95-V108 HydrophobicContact CD1-CG2 4.31Å; L95-V108 HydrophobicContact CD2-CG2 3.4Å; L95-V108 VanDerWaalsContact CD2-CG2 3.4Å; L106-V108 HydrophobicContact CG-CG2 4.39Å; V108-Y149 PolarHBondContact N-O 2.81Å; V108-L150 HydrophobicContact CB-CD1 3.74Å; V108-L150 HydrophobicContact CG1-CD1 3.62Å; V108-L150 CarbonylContact O-C 3.6Å; V108-L150 WeakPolarHBondContact O-CA 3.48Å; V108-A151 PolarHBondContact O-N 3.37Å
109	L	96.6	Very high	94.8	Very high	37 Å²	37	38.5 Å²	38.5	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.5	168.4	-169.4	85	0	0	0	107.2	F78 L79 A80 P111 A151 F153	F78-L109 PolarHBondContact O-N 3.37Å; L79-L109 HydrophobicContact CD2-CD2 3.87Å; L79-L109 HydrophobicContact CG-CB 4.41Å; L79-L109 HydrophobicContact CG-CD2 3.86Å; A80-L109 PolarHBondContact N-O 3.29Å; L109-P111 WeakPolarHBondContact O-CD 2.82Å; L109-A151 HydrophobicContact CD1-CB 4.04Å; L109-F153 HydrophobicContact CD1-CE2 3.78Å
110	L	95.9	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	97.5	176.2	-179	62.7	0	0	0	108.2	A80 F82 Y112 F113 L150 A151 I152	A80-L110 HydrophobicContact CB-CD1 3.92Å; F82-L110 HydrophobicContact CB-CD1 4.04Å; F82-L110 HydrophobicContact CD1-CD1 4.06Å; F82-L110 HydrophobicContact CD2-CD1 3.88Å; F82-L110 HydrophobicContact CD2-CD2 3.89Å; F82-L110 HydrophobicContact CE2-CD1 4.41Å; F82-L110 HydrophobicContact CE2-CD2 4.12Å; F82-L110 HydrophobicContact CG-CD1 3.7Å; L110-Y112 WeakPolarHBondContact CD1-O 3.49Å; L110-Y112 WeakPolarHBondContact CG-O 3.45Å; L110-Y112 PolarHBondContact O-N 2.97Å; L110-F113 HydrophobicContact CD2-CD2 3.84Å; L110-L150 HydrophobicContact CB-CD1 3.96Å; L110-L150 HydrophobicContact CD2-CD1 4.47Å; L110-A151 PolarHBondContact N-O 2.94Å; L110-I152 HydrophobicContact CB-CG1 4.49Å; L110-I152 WeakPolarHBondContact O-CA 3.26Å
111	P	91.9	Very high	94.4	Very high	34 Å²	34	43.4 Å²	43.4	22%	0.221	22%	0.219	C	C	.	.	S	Bend	trans	-57.4	-33.9	-175.8	-26.8	35.7	0	0	0	113.3	L25 A80 L109	L25-P111 HydrophobicContact CD2-CG 4.36Å; A80-P111 WeakPolarHBondContact O-CD 3.3Å; L109-P111 WeakPolarHBondContact O-CD 2.82Å
112	Y	91.3	Very high	94.2	Very high	97 Å²	97	44.3 Å²	44.3	38%	0.38	23%	0.23	S	C	.	.			trans	-139.6	132.3	-177.5	173.2	-117.6	0	0	0	111.4	L110 P114 L245	L110-Y112 WeakPolarHBondContact CD1-O 3.49Å; L110-Y112 WeakPolarHBondContact CG-O 3.45Å; L110-Y112 PolarHBondContact O-N 2.97Å; Y112-P114 HydrophobicContact CD1-CB 4.29Å; Y112-P114 VanDerWaalsContact CE1-CA 3.41Å; Y112-P114 HydrophobicContact CE1-CB 3.82Å; Y112-P114 WeakPolarHBondContact O-CD 3.36Å; Y112-L245 HydrophobicContact CD2-CD1 4.35Å; Y112-L245 HydrophobicContact CE2-CD1 3.61Å; Y112-L245 HydrophobicContact CE2-CD2 4.25Å; Y112-L245 HydrophobicContact CE2-CG 4.46Å; Y112-L245 WeakPolarHBondContact OH-CD2 3.42Å
113	F	94.6	Very high	94.1	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.031	24%	0.237	C	C	.	.			trans	-98.5	100.6	176.2	-171.1	-110.6	0	0	0	110.3	L110 T115 G116 A130 L133 A134 L137 I152 I155 E160 F164	L110-F113 HydrophobicContact CD2-CD2 3.84Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 WeakPolarHBondContact CE1-OG1 3.44Å; F113-T115 WeakPolarHBondContact CZ-OG1 3.43Å; F113-T115 PolarHBondContact O-N 3.02Å; F113-G116 PolarHBondContact O-N 3.15Å; F113-G116 VanDerWaalsContact O-N 3.14Å; F113-A130 HydrophobicContact CE1-CB 4.09Å; F113-L133 HydrophobicContact CD2-CD2 4.11Å; F113-L133 HydrophobicContact CE2-CB 4.29Å; F113-L133 HydrophobicContact CE2-CD2 3.58Å; F113-L133 HydrophobicContact CE2-CG 3.78Å; F113-L133 HydrophobicContact CZ-CB 4.08Å; F113-L133 HydrophobicContact CZ-CD2 3.98Å; F113-L133 HydrophobicContact CZ-CG 4.09Å; F113-A134 HydrophobicContact CZ-CB 4.35Å; F113-L137 HydrophobicContact CE2-CD1 3.94Å; F113-I152 HydrophobicContact CB-CG2 3.98Å; F113-I152 HydrophobicContact CD2-CD1 4.27Å; F113-I155 HydrophobicContact CB-CG1 4.46Å; F113-I155 HydrophobicContact CD1-CD1 4.17Å; F113-I155 HydrophobicContact CD1-CG1 4.37Å; F113-I155 HydrophobicContact CG-CD1 4.47Å; F113-E160 VanDerWaalsContact CD1-OE2 3.29Å; F113-E160 WeakPolarHBondContact CD1-OE2 3.12Å; F113-E160 VanDerWaalsContact CE1-OE2 3.25Å; F113-E160 WeakPolarHBondContact CE1-OE2 3.18Å; F113-F164 HydrophobicContact CE2-CE1 4.47Å; F113-F164 HydrophobicContact CE2-CZ 4.2Å; F113-F164 HydrophobicContact CZ-CZ 4.31Å
114	P	93.4	Very high	94	Very high	32 Å²	32	55.3 Å²	55.3	21%	0.208	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.7	-161.9	29.2	-39.7	0	0	0	115	F82 I88 Y112 L133	F82-P114 HydrophobicContact CB-CG 3.78Å; F82-P114 WeakPolarHBondContact O-CG 3.27Å; I88-P114 HydrophobicContact CD1-CG 4.15Å; Y112-P114 HydrophobicContact CD1-CB 4.29Å; Y112-P114 VanDerWaalsContact CE1-CA 3.41Å; Y112-P114 HydrophobicContact CE1-CB 3.82Å; Y112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-L133 HydrophobicContact CG-CD2 3.87Å
115	T	94.2	Very high	94	Very high	29 Å²	29	54.6 Å²	54.6	18%	0.178	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	1.7	-178.8	49.9	0	0	0	0	113	F113 T117 M118 A130 L133	F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 WeakPolarHBondContact CE1-OG1 3.44Å; F113-T115 WeakPolarHBondContact CZ-OG1 3.43Å; F113-T115 PolarHBondContact O-N 3.02Å; T115-T117 PolarHBondContact O-N 3.47Å; T115-T117 VanDerWaalsContact O-N 3.1Å; T115-M118 PolarHBondContact O-N 3.22Å; T115-A130 WeakPolarHBondContact O-CB 3.48Å; T115-A130 WeakPolarHBondContact OG1-CA 3.28Å; T115-L133 HydrophobicContact CG2-CB 4.36Å; T115-L133 HydrophobicContact CG2-CD2 4.09Å; T115-L133 WeakPolarHBondContact OG1-CD2 3.45Å
116	G	92.5	Very high	93.9	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.021	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21	-171.4	0	0	0	0	0	114.9	F113 M118 E119 H156 E160	F113-G116 PolarHBondContact O-N 3.15Å; F113-G116 VanDerWaalsContact O-N 3.14Å; G116-M118 VanDerWaalsContact C-N 3.27Å; G116-M118 PolarHBondContact O-N 3.44Å; G116-E119 WeakPolarHBondContact O-CB 3.4Å; G116-E119 VanDerWaalsContact O-OE2 3.12Å; G116-H156 VanDerWaalsContact O-CB 3.28Å; G116-H156 WeakPolarHBondContact O-CB 3.42Å; G116-H156 PolarHBondContact O-CD2 3Å; G116-H156 VanDerWaalsContact O-CD2 3.29Å; G116-E160 WeakPolarHBondContact CA-OE2 3.13Å
117	T	89.7	Confident	93.8	Very high	64 Å²	64	61.7 Å²	61.7	39%	0.393	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.7	175.7	62.4	0	0	0	0	114.1	T115 L245	T115-T117 PolarHBondContact O-N 3.47Å; T115-T117 VanDerWaalsContact O-N 3.1Å; T117-L245 HydrophobicContact CG2-CD2 4.2Å
118	M	93.3	Very high	93.7	Very high	66 Å²	66	60.5 Å²	60.5	33%	0.325	32%	0.322	S	S	.	.			trans	-118.9	54.6	177.1	-72	-65.2	-64.6	0	0	109.1	T115 G116 Q126 A128 T129 A130	T115-M118 PolarHBondContact O-N 3.22Å; G116-M118 VanDerWaalsContact C-N 3.27Å; G116-M118 PolarHBondContact O-N 3.44Å; M118-Q126 HydrophobicContact CE-CG 3.96Å; M118-A128 CarbonylContact O-C 3.53Å; M118-A128 VanDerWaalsContact O-C 3.26Å; M118-A128 WeakPolarHBondContact O-CA 3.38Å; M118-T129 VanDerWaalsContact CB-OG1 3.25Å; M118-T129 WeakPolarHBondContact CB-OG1 3.18Å; M118-T129 PolarHBondContact O-N 3.1Å; M118-A130 WeakPolarHBondContact O-CB 3.45Å; M118-A130 PolarHBondContact O-N 3.14Å; M118-A130 VanDerWaalsContact O-N 3.16Å
119	E	93.3	Very high	93.7	Very high	22 Å²	22	63 Å²	63	10%	0.103	34%	0.337	C	S	.	.			trans	-101.4	-1.1	-175.5	83.4	-58.3	166.6	0	0	114.3	G116 A130 H156 E160 Y163	G116-E119 WeakPolarHBondContact O-CB 3.4Å; G116-E119 VanDerWaalsContact O-OE2 3.12Å; E119-A130 HydrophobicContact CB-CB 3.99Å; E119-H156 IonicContact OE1-CD2 2.81Å; E119-H156 IonicContact OE2-CD2 3.72Å; E119-E160 HydrophobicContact CB-CG 3.71Å; E119-E160 HydrophobicContact CG-CG 4.25Å; E119-Y163 HydrophobicContact CB-CE2 4.23Å; E119-Y163 PolarHBondContact O-OH 3.11Å
120	R	91.3	Very high	93.7	Very high	137 Å²	137	61.2 Å²	61.2	52%	0.517	33%	0.328	S	S	.	.	S	Bend	trans	-142.1	158	177.1	68.3	-176.7	-166.5	-128.4	-0.8	111.9	D122	R120-D122 WeakPolarHBondContact CD-OD1 3.4Å; R120-D122 IonicContact CZ-OD1 3.19Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.44Å; R120-D122 IonicContact NE-OD2 3.41Å; R120-D122 IonicContact NH2-OD1 3.75Å; R120-D122 IonicContact NH2-OD2 3.14Å
121	I	92.6	Very high	93.7	Very high	100 Å²	100	64.4 Å²	64.4	51%	0.513	34%	0.342	S	S	.	.			trans	-102.3	106	175.2	-61.1	174.5	0	0	0	105.6	V123 Q126 A128	I121-V123 WeakPolarHBondContact CG2-O 3.34Å; I121-Q126 HydrophobicContact CG2-CB 4.21Å; I121-A128 HydrophobicContact CG1-CB 4.34Å
122	D	91.1	Very high	93.9	Very high	102 Å²	102	65.4 Å²	65.4	55%	0.545	35%	0.35	S	S	.	.	S	Bend	trans	-85.2	-31.2	176.5	-67.2	-44.5	0	0	0	110.9	R120	R120-D122 WeakPolarHBondContact CD-OD1 3.4Å; R120-D122 IonicContact CZ-OD1 3.19Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.44Å; R120-D122 IonicContact NE-OD2 3.41Å; R120-D122 IonicContact NH2-OD1 3.75Å; R120-D122 IonicContact NH2-OD2 3.14Å
123	V	94.7	Very high	94.2	Very high	106 Å²	106	61.2 Å²	61.2	64%	0.642	33%	0.334	S	S	*	.	S	Bend	trans	-133	140.1	177.6	-177	0	0	0	0	109.4	I121 G125 Q126	I121-V123 WeakPolarHBondContact CG2-O 3.34Å; V123-G125 PolarHBondContact O-N 3.2Å; V123-Q126 VanDerWaalsContact O-CB 3.26Å; V123-Q126 WeakPolarHBondContact O-CB 3.33Å; V123-Q126 PolarHBondContact O-N 3.44Å
124	E	94.4	Very high	94.3	Very high	183 Å²	183	60.9 Å²	60.9	86%	0.855	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	133	175.9	-172.1	59.9	-149.1	0	0	111.3
125	G	94.2	Very high	94.5	Very high	64 Å²	64	61.7 Å²	61.7	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-10.3	-174.7	0	0	0	0	0	115.2	V123	V123-G125 PolarHBondContact O-N 3.2Å
126	Q	94.7	Very high	94.6	Very high	58 Å²	58	64.7 Å²	64.7	27%	0.271	35%	0.35	S	S	.	.			trans	-69.2	139.7	170	-170.1	177.5	0.5	0	0	110.7	M118 I121 V123	M118-Q126 HydrophobicContact CE-CG 3.96Å; I121-Q126 HydrophobicContact CG2-CB 4.21Å; V123-Q126 VanDerWaalsContact O-CB 3.26Å; V123-Q126 WeakPolarHBondContact O-CB 3.33Å; V123-Q126 PolarHBondContact O-N 3.44Å
127	I	95.3	Very high	94.8	Very high	117 Å²	117	64.6 Å²	64.6	60%	0.6	35%	0.349	S	S	*	.			trans	-103.4	117.5	-178.3	-57.8	173.3	0	0	0	109.1	T129	I127-T129 VanDerWaalsContact C-N 3.35Å; I127-T129 HydrophobicContact CG2-CG2 4.32Å; I127-T129 PolarHBondContact O-N 2.97Å
128	A	95.9	Very high	95.2	Very high	13 Å²	13	61.6 Å²	61.6	11%	0.107	33%	0.33	C	S	.	.			trans	-76.3	83.3	175.1	0	0	0	0	0	110.7	M118 I121 A130 K131	M118-A128 CarbonylContact O-C 3.53Å; M118-A128 VanDerWaalsContact O-C 3.26Å; M118-A128 WeakPolarHBondContact O-CA 3.38Å; I121-A128 HydrophobicContact CG1-CB 4.34Å; A128-A130 PolarHBondContact O-N 3.41Å; A128-A130 VanDerWaalsContact O-N 3.15Å; A128-K131 WeakPolarHBondContact O-CB 3.47Å; A128-K131 PolarHBondContact O-N 3.49Å
129	T	96.8	Very high	95.4	Very high	52 Å²	52	63.7 Å²	63.7	32%	0.319	34%	0.339	S	S	.	.	H	α-helix	trans	-62	-22.6	-176.7	54	0	0	0	0	113.3	M118 I127 K131 S132 L133	M118-T129 VanDerWaalsContact CB-OG1 3.25Å; M118-T129 WeakPolarHBondContact CB-OG1 3.18Å; M118-T129 PolarHBondContact O-N 3.1Å; I127-T129 VanDerWaalsContact C-N 3.35Å; I127-T129 HydrophobicContact CG2-CG2 4.32Å; I127-T129 PolarHBondContact O-N 2.97Å; T129-K131 VanDerWaalsContact C-N 3.25Å; T129-K131 PolarHBondContact O-N 3.29Å; T129-S132 WeakPolarHBondContact O-CB 3.43Å; T129-S132 PolarHBondContact O-N 3.48Å; T129-S132 VanDerWaalsContact O-N 3.16Å; T129-L133 PolarHBondContact O-N 3.1Å
130	A	96.9	Very high	95.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54	-43.3	169.7	0	0	0	0	0	111.9	F113 T115 M118 E119 A128 A134 Y163	F113-A130 HydrophobicContact CE1-CB 4.09Å; T115-A130 WeakPolarHBondContact O-CB 3.48Å; T115-A130 WeakPolarHBondContact OG1-CA 3.28Å; M118-A130 WeakPolarHBondContact O-CB 3.45Å; M118-A130 PolarHBondContact O-N 3.14Å; M118-A130 VanDerWaalsContact O-N 3.16Å; E119-A130 HydrophobicContact CB-CB 3.99Å; A128-A130 PolarHBondContact O-N 3.41Å; A128-A130 VanDerWaalsContact O-N 3.15Å; A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 3.18Å; A130-Y163 HydrophobicContact CB-CD2 3.99Å; A130-Y163 HydrophobicContact CB-CE2 3.75Å
131	K	96.3	Very high	95.8	Very high	67 Å²	67	58 Å²	58	29%	0.291	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-41.7	177.2	178.5	59.7	178.7	177.2	0	111.3	A128 T129 L133 A134 V135 Y163	A128-K131 WeakPolarHBondContact O-CB 3.47Å; A128-K131 PolarHBondContact O-N 3.49Å; T129-K131 VanDerWaalsContact C-N 3.25Å; T129-K131 PolarHBondContact O-N 3.29Å; K131-L133 PolarHBondContact O-N 3.14Å; K131-A134 PolarHBondContact O-N 3.19Å; K131-V135 HydrophobicContact CD-CG2 3.88Å; K131-V135 VanDerWaalsContact CE-CG2 3.44Å; K131-V135 HydrophobicContact CG-CG2 4.29Å; K131-V135 WeakPolarHBondContact O-CB 3.47Å; K131-V135 VanDerWaalsContact O-CG2 3.26Å; K131-V135 WeakPolarHBondContact O-CG2 3.32Å; K131-V135 PolarHBondContact O-N 3.11Å; K131-Y163 HydrophobicContact CB-CD1 4.27Å; K131-Y163 HydrophobicContact CB-CD2 3.99Å; K131-Y163 HydrophobicContact CB-CE1 4.28Å; K131-Y163 HydrophobicContact CB-CE2 4Å; K131-Y163 HydrophobicContact CB-CG 4.08Å; K131-Y163 HydrophobicContact CD-CD1 3.64Å; K131-Y163 HydrophobicContact CD-CD2 4.45Å; K131-Y163 HydrophobicContact CD-CE1 4.27Å; K131-Y163 HydrophobicContact CD-CG 3.69Å; K131-Y163 HydrophobicContact CG-CD1 4.42Å; K131-Y163 HydrophobicContact CG-CG 4.47Å; K131-Y163 PolarHBondContact NZ-O 3.33Å
132	S	96.5	Very high	96	Very high	55 Å²	55	58.4 Å²	58.4	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-49.8	178.6	-55.1	0	0	0	0	111.5	T129 V135 M136	T129-S132 WeakPolarHBondContact O-CB 3.43Å; T129-S132 PolarHBondContact O-N 3.48Å; T129-S132 VanDerWaalsContact O-N 3.16Å; S132-V135 PolarHBondContact O-N 2.72Å; S132-M136 WeakPolarHBondContact O-CG 3.38Å; S132-M136 PolarHBondContact O-N 3.06Å; S132-M136 VanDerWaalsContact O-N 3.07Å
133	L	97.2	Very high	96.3	Very high	9 Å²	9	54 Å²	54	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-41.3	178.9	-177.9	58.2	0	0	0	112.1	F82 I88 F113 P114 T115 T129 K131 V135 M136 L137	F82-L133 HydrophobicContact CD2-CD1 4.31Å; F82-L133 HydrophobicContact CD2-CD2 4.13Å; F82-L133 HydrophobicContact CE2-CD1 4.12Å; I88-L133 HydrophobicContact CG2-CD1 3.81Å; F113-L133 HydrophobicContact CD2-CD2 4.11Å; F113-L133 HydrophobicContact CE2-CB 4.29Å; F113-L133 HydrophobicContact CE2-CD2 3.58Å; F113-L133 HydrophobicContact CE2-CG 3.78Å; F113-L133 HydrophobicContact CZ-CB 4.08Å; F113-L133 HydrophobicContact CZ-CD2 3.98Å; F113-L133 HydrophobicContact CZ-CG 4.09Å; P114-L133 HydrophobicContact CG-CD2 3.87Å; T115-L133 HydrophobicContact CG2-CB 4.36Å; T115-L133 HydrophobicContact CG2-CD2 4.09Å; T115-L133 WeakPolarHBondContact OG1-CD2 3.45Å; T129-L133 PolarHBondContact O-N 3.1Å; K131-L133 PolarHBondContact O-N 3.14Å; L133-V135 VanDerWaalsContact C-N 3.3Å; L133-V135 PolarHBondContact O-N 2.97Å; L133-M136 PolarHBondContact O-N 2.86Å; L133-L137 HydrophobicContact CG-CD1 4.28Å; L133-L137 PolarHBondContact O-N 2.97Å
134	A	97.3	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-38.2	176.2	0	0	0	0	0	112.3	F113 A130 K131 S138 F164	F113-A134 HydrophobicContact CZ-CB 4.35Å; A130-A134 VanDerWaalsContact O-CB 3.29Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 3.18Å; K131-A134 PolarHBondContact O-N 3.19Å; A134-S138 WeakPolarHBondContact O-CB 3.37Å; A134-S138 PolarHBondContact O-N 3.1Å; A134-S138 PolarHBondContact O-OG 3.18Å; A134-F164 HydrophobicContact CB-CD1 3.81Å; A134-F164 HydrophobicContact CB-CE1 3.69Å; A134-F164 HydrophobicContact CB-CE2 4.48Å; A134-F164 HydrophobicContact CB-CG 4.29Å; A134-F164 HydrophobicContact CB-CZ 4.05Å
135	V	96.3	Very high	96.2	Very high	50 Å²	50	48.6 Å²	48.6	30%	0.303	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-40.7	175.7	168.6	0	0	0	0	111.5	K131 S132 L133 S138 Q139	K131-V135 HydrophobicContact CD-CG2 3.88Å; K131-V135 VanDerWaalsContact CE-CG2 3.44Å; K131-V135 HydrophobicContact CG-CG2 4.29Å; K131-V135 WeakPolarHBondContact O-CB 3.47Å; K131-V135 VanDerWaalsContact O-CG2 3.26Å; K131-V135 WeakPolarHBondContact O-CG2 3.32Å; K131-V135 PolarHBondContact O-N 3.11Å; S132-V135 PolarHBondContact O-N 2.72Å; L133-V135 VanDerWaalsContact C-N 3.3Å; L133-V135 PolarHBondContact O-N 2.97Å; V135-S138 WeakPolarHBondContact O-CB 3.21Å; V135-S138 PolarHBondContact O-N 3.35Å; V135-Q139 WeakPolarHBondContact O-CG 3.26Å; V135-Q139 PolarHBondContact O-N 2.86Å; V135-Q139 PolarHBondContact O-NE2 2.89Å
136	M	97	Very high	96.3	Very high	92 Å²	92	46.4 Å²	46.4	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-51.7	173.9	-68.3	172.4	-176.6	0	0	110.7	L92 Y96 S132 L133 S138 Q139	L92-M136 HydrophobicContact CD1-CB 3.99Å; L92-M136 HydrophobicContact CD1-SD 4.23Å; Y96-M136 PolarHBondContact OH-O 2.88Å; S132-M136 WeakPolarHBondContact O-CG 3.38Å; S132-M136 PolarHBondContact O-N 3.06Å; S132-M136 VanDerWaalsContact O-N 3.07Å; L133-M136 PolarHBondContact O-N 2.86Å; M136-S138 PolarHBondContact O-N 2.82Å; M136-Q139 VanDerWaalsContact O-CB 3.31Å; M136-Q139 WeakPolarHBondContact O-CB 3.03Å; M136-Q139 PolarHBondContact O-N 2.84Å
137	L	97.1	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-35.8	174.5	-77.2	166.2	0	0	0	112.6	F82 L92 L95 F113 L133 Q139 I140 L150 F164 L168	F82-L137 HydrophobicContact CE2-CD1 4.06Å; F82-L137 HydrophobicContact CE2-CD2 3.8Å; F82-L137 HydrophobicContact CE2-CG 4.17Å; F82-L137 HydrophobicContact CZ-CD2 3.85Å; L92-L137 HydrophobicContact CD2-CD2 3.81Å; L92-L137 HydrophobicContact CD2-CG 4.2Å; L95-L137 HydrophobicContact CD1-CD2 4.39Å; F113-L137 HydrophobicContact CE2-CD1 3.94Å; L133-L137 HydrophobicContact CG-CD1 4.28Å; L133-L137 PolarHBondContact O-N 2.97Å; L137-Q139 PolarHBondContact O-N 2.81Å; L137-Q139 VanDerWaalsContact O-N 3.16Å; L137-I140 HydrophobicContact CD2-CD1 4.27Å; L137-I140 WeakPolarHBondContact O-CD1 3.25Å; L137-I140 WeakPolarHBondContact O-CG1 3.29Å; L137-I140 PolarHBondContact O-N 3.34Å; L137-L150 HydrophobicContact CD1-CD2 3.88Å; L137-F164 HydrophobicContact CD1-CE1 4.18Å; L137-L168 HydrophobicContact CB-CD1 3.95Å; L137-L168 VanDerWaalsContact O-CD1 3.22Å; L137-L168 WeakPolarHBondContact O-CD1 3.28Å
138	S	97.1	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.1	177.2	-58	0	0	0	0	113.9	A134 V135 M136 F164 T165 S167	A134-S138 WeakPolarHBondContact O-CB 3.37Å; A134-S138 PolarHBondContact O-N 3.1Å; A134-S138 PolarHBondContact O-OG 3.18Å; V135-S138 WeakPolarHBondContact O-CB 3.21Å; V135-S138 PolarHBondContact O-N 3.35Å; M136-S138 PolarHBondContact O-N 2.82Å; S138-F164 WeakPolarHBondContact OG-CA 3.49Å; S138-T165 WeakPolarHBondContact CB-O 3.4Å; S138-T165 PolarHBondContact OG-N 2.88Å; S138-S167 PolarHBondContact O-OG 2.82Å
139	Q	97.1	Very high	96.5	Very high	110 Å²	110	43.9 Å²	43.9	51%	0.514	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.4	172	-57	-47.9	-62.5	0	0	113.5	Y96 V135 M136 L137 P141	Y96-Q139 HydrophobicContact CE1-CB 4.04Å; V135-Q139 WeakPolarHBondContact O-CG 3.26Å; V135-Q139 PolarHBondContact O-N 2.86Å; V135-Q139 PolarHBondContact O-NE2 2.89Å; M136-Q139 VanDerWaalsContact O-CB 3.31Å; M136-Q139 WeakPolarHBondContact O-CB 3.03Å; M136-Q139 PolarHBondContact O-N 2.84Å; L137-Q139 PolarHBondContact O-N 2.81Å; L137-Q139 VanDerWaalsContact O-N 3.16Å; Q139-P141 VanDerWaalsContact O-CD 3.32Å; Q139-P141 WeakPolarHBondContact O-CD 3.33Å
140	I	97.3	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.7	123.4	174.1	-66	168.1	0	0	0	108.7	L95 Y96 P99 L106 L137 C148 S167 L168	L95-I140 HydrophobicContact CB-CD1 4.05Å; L95-I140 HydrophobicContact CB-CG1 4.11Å; L95-I140 HydrophobicContact CD1-CD1 4.1Å; L95-I140 HydrophobicContact CG-CD1 4.46Å; Y96-I140 HydrophobicContact CD1-CG1 3.92Å; Y96-I140 HydrophobicContact CE1-CG1 3.98Å; P99-I140 HydrophobicContact CG-CG2 4.11Å; L106-I140 HydrophobicContact CD2-CG2 4.07Å; L137-I140 HydrophobicContact CD2-CD1 4.27Å; L137-I140 WeakPolarHBondContact O-CD1 3.25Å; L137-I140 WeakPolarHBondContact O-CG1 3.29Å; L137-I140 PolarHBondContact O-N 3.34Å; I140-C148 HydrophobicContact CB-CB 4.47Å; I140-C148 HydrophobicContact CG2-CB 3.85Å; I140-S167 WeakPolarHBondContact O-CB 3.27Å; I140-S167 PolarHBondContact O-OG 2.92Å; I140-L168 HydrophobicContact CD1-CD1 4.22Å
141	P	96.6	Very high	96.6	Very high	41 Å²	41	41.8 Å²	41.8	27%	0.266	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-62.8	160.6	-179.1	-23.5	33.4	0	0	0	112.9	Y96 P99 Q139	Y96-P141 WeakPolarHBondContact O-CG 3.5Å; P99-P141 HydrophobicContact CB-CB 4.02Å; P99-P141 HydrophobicContact CG-CB 4.23Å; P99-P141 WeakPolarHBondContact CG-O 3.29Å; Q139-P141 VanDerWaalsContact O-CD 3.32Å; Q139-P141 WeakPolarHBondContact O-CD 3.33Å
142	L	97.1	Very high	96.6	Very high	107 Å²	107	38.6 Å²	38.6	56%	0.56	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-65.8	140.6	174.2	-61.2	177.2	0	0	0	110.8	P147	L142-P147 HydrophobicContact CD2-CB 4.09Å
143	T	96.3	Very high	96.4	Very high	11 Å²	11	39.1 Å²	39.1	7%	0.067	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-83.5	174.8	168.9	67.7	0	0	0	0	111	P99 V103 R104 L106 C145 G146	P99-T143 HydrophobicContact CB-CG2 4.39Å; P99-T143 HydrophobicContact CG-CG2 4.35Å; V103-T143 HydrophobicContact CG2-CG2 3.78Å; R104-T143 PolarHBondContact O-OG1 3.26Å; L106-T143 HydrophobicContact CB-CG2 3.55Å; T143-C145 PolarHBondContact O-N 2.82Å; T143-C145 VanDerWaalsContact O-N 3.11Å; T143-G146 PolarHBondContact N-O 3.11Å; T143-G146 PolarHBondContact O-N 3.3Å; T143-G146 PolarHBondContact OG1-N 3.17Å; T143-G146 PolarHBondContact OG1-O 3.03Å
144	A	93.7	Very high	96	Very high	82 Å²	82	40.3 Å²	40.3	68%	0.678	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.8	177.9	0	0	0	0	0	113.5	V103	V103-A144 PolarHBondContact O-N 2.96Å
145	C	94.4	Very high	95.7	Very high	92 Å²	92	41 Å²	41	62%	0.622	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	11.4	176.3	-66.6	0	0	0	0	114.3	R104 T143	R104-C145 WeakPolarHBondContact CG-SG 3.3Å; R104-C145 WeakPolarHBondContact O-CB 3.49Å; R104-C145 PolarHBondContact O-N 2.96Å; R104-C145 PolarHBondContact O-SG 2.57Å; T143-C145 PolarHBondContact O-N 2.82Å; T143-C145 VanDerWaalsContact O-N 3.11Å
146	G	95.3	Very high	95.4	Very high	18 Å²	18	41.2 Å²	41.2	19%	0.186	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	112.9	-149.4	173.8	0	0	0	0	0	114.3	T143	T143-G146 PolarHBondContact N-O 3.11Å; T143-G146 PolarHBondContact O-N 3.3Å; T143-G146 PolarHBondContact OG1-N 3.17Å; T143-G146 PolarHBondContact OG1-O 3.03Å
147	P	96.9	Very high	95.1	Very high	43 Å²	43	37.8 Å²	37.8	28%	0.279	22%	0.216	S	C	.	.	S	Bend	trans	-69.1	155	-167.8	29.4	-36	0	0	0	112.9	L142 S167 V169	L142-P147 HydrophobicContact CD2-CB 4.09Å; P147-S167 VanDerWaalsContact CA-O 3.23Å; P147-S167 WeakPolarHBondContact CA-O 3.37Å; P147-S167 VanDerWaalsContact CB-C 3.48Å; P147-S167 WeakPolarHBondContact CB-O 3.18Å; P147-V169 HydrophobicContact CB-CG2 4.01Å; P147-V169 HydrophobicContact CG-CG2 3.67Å
148	C	97.3	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.7	171.6	177.6	0	0	0	0	110.3	L106 I140 S167 L168 V169	L106-C148 HydrophobicContact CD2-CB 4.46Å; L106-C148 WeakPolarHBondContact O-CA 3.49Å; L106-C148 PolarHBondContact O-SG 3.33Å; I140-C148 HydrophobicContact CB-CB 4.47Å; I140-C148 HydrophobicContact CG2-CB 3.85Å; C148-S167 PolarHBondContact N-O 3.05Å; C148-L168 WeakPolarHBondContact O-CA 3.45Å; C148-V169 PolarHBondContact O-N 2.8Å
149	Y	97.3	Very high	94.7	Very high	93 Å²	93	49 Å²	49	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.7	169.2	-67.8	-70.3	0	0	0	110	L106 T107 V108 V169 R171	L106-Y149 PolarHBondContact O-N 2.99Å; T107-Y149 CarbonylContact C-O 3.41Å; T107-Y149 VanDerWaalsContact CA-O 3.27Å; T107-Y149 WeakPolarHBondContact CA-O 3.49Å; V108-Y149 PolarHBondContact N-O 2.81Å; Y149-V169 WeakPolarHBondContact CA-O 3.33Å; Y149-V169 HydrophobicContact CD1-CB 3.77Å; Y149-V169 HydrophobicContact CD1-CG1 3.97Å; Y149-V169 HydrophobicContact CE1-CB 3.9Å; Y149-V169 HydrophobicContact CE1-CG1 3.92Å; Y149-V169 HydrophobicContact CE1-CG2 4.36Å; Y149-R171 HydrophobicContact CD1-CG 4.37Å; Y149-R171 VanDerWaalsContact CE1-NH2 3.25Å
150	L	97.7	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106	175.7	179.4	64.9	0	0	0	109.5	V108 L110 L137 I152 F164 L168 V169 P170 R171	V108-L150 HydrophobicContact CB-CD1 3.74Å; V108-L150 HydrophobicContact CG1-CD1 3.62Å; V108-L150 CarbonylContact O-C 3.6Å; V108-L150 WeakPolarHBondContact O-CA 3.48Å; L110-L150 HydrophobicContact CB-CD1 3.96Å; L110-L150 HydrophobicContact CD2-CD1 4.47Å; L137-L150 HydrophobicContact CD1-CD2 3.88Å; L150-I152 HydrophobicContact CD1-CG1 4.42Å; L150-I152 HydrophobicContact CD2-CD1 3.76Å; L150-I152 HydrophobicContact CD2-CG1 4.14Å; L150-I152 HydrophobicContact CG-CD1 4.04Å; L150-I152 HydrophobicContact CG-CG1 3.84Å; L150-F164 HydrophobicContact CD2-CD1 4.01Å; L150-F164 HydrophobicContact CD2-CE1 3.42Å; L150-F164 VanDerWaalsContact CD2-CE1 3.42Å; L150-F164 HydrophobicContact CD2-CZ 4.01Å; L150-L168 HydrophobicContact CB-CD1 4.03Å; L150-L168 HydrophobicContact CB-CD2 3.7Å; L150-L168 HydrophobicContact CB-CG 4Å; L150-L168 HydrophobicContact CD2-CD1 4.09Å; L150-L168 HydrophobicContact CD2-CD2 3.96Å; L150-V169 PolarHBondContact N-O 2.85Å; L150-P170 CarbonylContact O-C 3.59Å; L150-P170 WeakPolarHBondContact O-CA 3.33Å; L150-R171 PolarHBondContact O-N 3.46Å
151	A	97.1	Very high	94.5	Very high	8 Å²	8	48.8 Å²	48.8	7%	0.066	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.8	173.9	0	0	0	0	0	110.1	V108 L109 L110 R171 L173	V108-A151 PolarHBondContact O-N 3.37Å; L109-A151 HydrophobicContact CD1-CB 4.04Å; L110-A151 PolarHBondContact N-O 2.94Å; A151-R171 WeakPolarHBondContact CA-O 3.49Å; A151-R171 HydrophobicContact CB-CB 4.4Å; A151-L173 HydrophobicContact CB-CD1 4.05Å
152	I	95.8	Very high	94.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.2	178.3	-52.3	175.6	0	0	0	107.8	L110 F113 L150 I155 F164 R171 L172 L173	L110-I152 HydrophobicContact CB-CG1 4.49Å; L110-I152 WeakPolarHBondContact O-CA 3.26Å; F113-I152 HydrophobicContact CB-CG2 3.98Å; F113-I152 HydrophobicContact CD2-CD1 4.27Å; L150-I152 HydrophobicContact CD1-CG1 4.42Å; L150-I152 HydrophobicContact CD2-CD1 3.76Å; L150-I152 HydrophobicContact CD2-CG1 4.14Å; L150-I152 HydrophobicContact CG-CD1 4.04Å; L150-I152 HydrophobicContact CG-CG1 3.84Å; I152-I155 HydrophobicContact CD1-CD1 4.07Å; I152-I155 HydrophobicContact CG2-CB 4.08Å; I152-I155 HydrophobicContact CG2-CD1 4.49Å; I152-I155 HydrophobicContact CG2-CG1 4.44Å; I152-F164 HydrophobicContact CD1-CE1 4.42Å; I152-F164 HydrophobicContact CD1-CE2 4.27Å; I152-F164 HydrophobicContact CD1-CZ 3.66Å; I152-R171 PolarHBondContact N-O 3.05Å; I152-L172 HydrophobicContact CB-CD2 4.26Å; I152-L172 HydrophobicContact CD1-CD2 4.34Å; I152-L173 PolarHBondContact O-N 2.86Å
153	F	92.2	Very high	94.3	Very high	65 Å²	65	51.5 Å²	51.5	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.5	173.6	-73.3	-96.7	0	0	0	110.3	L109 I155 L173 A175	L109-F153 HydrophobicContact CD1-CE2 3.78Å; F153-I155 VanDerWaalsContact C-N 3.28Å; F153-I155 PolarHBondContact O-N 3.34Å; F153-I155 VanDerWaalsContact O-N 3.11Å; F153-L173 CarbonylContact C-O 3.57Å; F153-L173 WeakPolarHBondContact CA-O 3.44Å; F153-L173 HydrophobicContact CD1-CB 3.95Å; F153-L173 HydrophobicContact CE1-CB 3.88Å; F153-L173 HydrophobicContact CE1-CD1 4.2Å; F153-L173 HydrophobicContact CE2-CD1 3.96Å; F153-L173 HydrophobicContact CG-CB 4.34Å; F153-L173 HydrophobicContact CZ-CB 4.19Å; F153-L173 HydrophobicContact CZ-CD1 3.69Å; F153-A175 HydrophobicContact CD1-CB 3.98Å; F153-A175 HydrophobicContact CE1-CB 4.45Å
154	D	89.7	Confident	94.3	Very high	35 Å²	35	51.8 Å²	51.8	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	48.8	47	166.7	-61.7	-59.3	0	0	0	113.5	L173 S174 A175 F203	D154-L173 PolarHBondContact N-O 3.49Å; D154-S174 VanDerWaalsContact OD1-CA 3.29Å; D154-S174 WeakPolarHBondContact OD1-CA 3.22Å; D154-S174 WeakPolarHBondContact OD1-CB 3.41Å; D154-S174 PolarHBondContact OD1-OG 3.14Å; D154-A175 PolarHBondContact OD2-N 3.19Å; D154-F203 WeakPolarHBondContact OD1-CE1 3.18Å
155	I	91.5	Very high	94.1	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	25%	0.252	C	S	.	.			trans	-55.1	142.3	175.7	-163	166.2	0	0	0	110.5	F113 I152 F153 S157 L158 E160 F164 L172	F113-I155 HydrophobicContact CB-CG1 4.46Å; F113-I155 HydrophobicContact CD1-CD1 4.17Å; F113-I155 HydrophobicContact CD1-CG1 4.37Å; F113-I155 HydrophobicContact CG-CD1 4.47Å; I152-I155 HydrophobicContact CD1-CD1 4.07Å; I152-I155 HydrophobicContact CG2-CB 4.08Å; I152-I155 HydrophobicContact CG2-CD1 4.49Å; I152-I155 HydrophobicContact CG2-CG1 4.44Å; F153-I155 VanDerWaalsContact C-N 3.28Å; F153-I155 PolarHBondContact O-N 3.34Å; F153-I155 VanDerWaalsContact O-N 3.11Å; I155-S157 VanDerWaalsContact C-N 3.26Å; I155-S157 PolarHBondContact O-N 3.31Å; I155-L158 HydrophobicContact CG2-CD2 4.4Å; I155-E160 HydrophobicContact CD1-CB 3.67Å; I155-E160 HydrophobicContact CD1-CG 4.37Å; I155-E160 HydrophobicContact CG1-CB 4.36Å; I155-F164 HydrophobicContact CD1-CE2 4.39Å; I155-L172 HydrophobicContact CB-CD2 4.3Å; I155-L172 HydrophobicContact CD1-CD2 4.04Å; I155-L172 HydrophobicContact CG2-CD1 3.87Å; I155-L172 HydrophobicContact CG2-CD2 3.87Å; I155-L172 HydrophobicContact CG2-CG 4.28Å
156	H	89.6	Confident	93.5	Very high	55 Å²	55	51.3 Å²	51.3	26%	0.255	26%	0.26	S	S	.	.	S	Bend	trans	-55.2	-43.1	-170.8	-171.4	65.2	0	0	0	112.4	G116 E119 R202 D244	G116-H156 VanDerWaalsContact O-CB 3.28Å; G116-H156 WeakPolarHBondContact O-CB 3.42Å; G116-H156 PolarHBondContact O-CD2 3Å; G116-H156 VanDerWaalsContact O-CD2 3.29Å; E119-H156 IonicContact OE1-CD2 2.81Å; E119-H156 IonicContact OE2-CD2 3.72Å; H156-R202 PolarHBondContact ND1-NH1 3.03Å; H156-R202 WeakPolarHBondContact O-CD 3.38Å; H156-R202 PolarHBondContact O-NH1 2.98Å; H156-D244 IonicContact CE1-OD2 2.73Å; H156-D244 IonicContact CG-OD2 3.78Å; H156-D244 IonicContact ND1-OD2 3.63Å; H156-D244 PolarHBondContact ND1-OD2 3.44Å
157	S	90.9	Very high	93.2	Very high	21 Å²	21	51.3 Å²	51.3	15%	0.147	26%	0.257	C	S	.	.			trans	-135.2	129	178.6	-179.8	0	0	0	0	111.9	I155 Q159 E160	I155-S157 VanDerWaalsContact C-N 3.26Å; I155-S157 PolarHBondContact O-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.22Å; S157-Q159 VanDerWaalsContact O-N 3.14Å; S157-Q159 PolarHBondContact OG-OE1 3.16Å; S157-E160 PolarHBondContact N-OE1 3.27Å; S157-E160 VanDerWaalsContact O-CB 3.27Å; S157-E160 WeakPolarHBondContact O-CB 3.38Å; S157-E160 WeakPolarHBondContact O-CG 3.43Å; S157-E160 PolarHBondContact O-N 2.66Å
158	L	91.9	Very high	93.1	Very high	122 Å²	122	49.7 Å²	49.7	64%	0.639	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-62.7	-23.6	178.8	-68	179.4	0	0	0	113	I155 E160 R161 L172	I155-L158 HydrophobicContact CG2-CD2 4.4Å; L158-E160 PolarHBondContact O-N 2.78Å; L158-R161 VanDerWaalsContact O-CB 3.22Å; L158-R161 WeakPolarHBondContact O-CB 3.42Å; L158-R161 PolarHBondContact O-N 3.15Å; L158-L172 HydrophobicContact CD2-CD1 3.95Å
159	Q	93.1	Very high	93.1	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.533	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.7	-23.3	176.8	-72	74.9	2.5	0	0	112.2	S157 R161 F162	S157-Q159 PolarHBondContact O-N 3.22Å; S157-Q159 VanDerWaalsContact O-N 3.14Å; S157-Q159 PolarHBondContact OG-OE1 3.16Å; Q159-R161 PolarHBondContact O-N 3.28Å; Q159-F162 HydrophobicContact CB-CD2 4.33Å; Q159-F162 HydrophobicContact CB-CE2 4.42Å; Q159-F162 HydrophobicContact CG-CE2 4.41Å; Q159-F162 WeakPolarHBondContact O-CB 3.36Å; Q159-F162 WeakPolarHBondContact O-CD2 3.36Å; Q159-F162 WeakPolarHBondContact O-CG 3.3Å; Q159-F162 PolarHBondContact O-N 2.92Å
160	E	94	Very high	93.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-58.8	-18.1	173.3	-67.5	175	-110.4	0	0	112.3	F113 G116 E119 I155 S157 L158 F162 Y163 F164	F113-E160 VanDerWaalsContact CD1-OE2 3.29Å; F113-E160 WeakPolarHBondContact CD1-OE2 3.12Å; F113-E160 VanDerWaalsContact CE1-OE2 3.25Å; F113-E160 WeakPolarHBondContact CE1-OE2 3.18Å; G116-E160 WeakPolarHBondContact CA-OE2 3.13Å; E119-E160 HydrophobicContact CB-CG 3.71Å; E119-E160 HydrophobicContact CG-CG 4.25Å; I155-E160 HydrophobicContact CD1-CB 3.67Å; I155-E160 HydrophobicContact CD1-CG 4.37Å; I155-E160 HydrophobicContact CG1-CB 4.36Å; S157-E160 PolarHBondContact N-OE1 3.27Å; S157-E160 VanDerWaalsContact O-CB 3.27Å; S157-E160 WeakPolarHBondContact O-CB 3.38Å; S157-E160 WeakPolarHBondContact O-CG 3.43Å; S157-E160 PolarHBondContact O-N 2.66Å; L158-E160 PolarHBondContact O-N 2.78Å; E160-F162 PolarHBondContact O-N 3.03Å; E160-F162 VanDerWaalsContact O-N 3.09Å; E160-Y163 HydrophobicContact CB-CD2 4.19Å; E160-Y163 HydrophobicContact CG-CD2 4.16Å; E160-Y163 HydrophobicContact CG-CE2 4.23Å; E160-Y163 VanDerWaalsContact O-CB 3.24Å; E160-Y163 WeakPolarHBondContact O-CB 3.43Å; E160-Y163 PolarHBondContact O-N 3.48Å; E160-F164 WeakPolarHBondContact O-CD2 3.25Å; E160-F164 WeakPolarHBondContact O-CE2 3.29Å
161	R	95.3	Very high	93	Very high	103 Å²	103	53.1 Å²	53.1	39%	0.389	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-48.7	-36.2	168.6	-176.4	178.1	-72.3	-88.1	3.6	112.5	L158 Q159 Y163 P170 L172	L158-R161 VanDerWaalsContact O-CB 3.22Å; L158-R161 WeakPolarHBondContact O-CB 3.42Å; L158-R161 PolarHBondContact O-N 3.15Å; Q159-R161 PolarHBondContact O-N 3.28Å; R161-Y163 PolarHBondContact O-N 3.39Å; R161-P170 HydrophobicContact CG-CG 4.06Å; R161-P170 PolarHBondContact NH1-O 3.19Å; R161-P170 VanDerWaalsContact NH1-O 3.14Å; R161-L172 HydrophobicContact CB-CD1 4Å
162	F	94.5	Very high	92.9	Very high	157 Å²	157	54 Å²	54	69%	0.689	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-74	-10.4	-179.5	-54.1	-50.5	0	0	0	113.5	Q159 E160	Q159-F162 HydrophobicContact CB-CD2 4.33Å; Q159-F162 HydrophobicContact CB-CE2 4.42Å; Q159-F162 HydrophobicContact CG-CE2 4.41Å; Q159-F162 WeakPolarHBondContact O-CB 3.36Å; Q159-F162 WeakPolarHBondContact O-CD2 3.36Å; Q159-F162 WeakPolarHBondContact O-CG 3.3Å; Q159-F162 PolarHBondContact O-N 2.92Å; E160-F162 PolarHBondContact O-N 3.03Å; E160-F162 VanDerWaalsContact O-N 3.09Å
163	Y	95.9	Very high	92.8	Very high	49 Å²	49	57.8 Å²	57.8	19%	0.192	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-79.5	-28.6	178.5	-67	-12.2	0	0	0	113.1	E119 A130 K131 E160 R161	E119-Y163 HydrophobicContact CB-CE2 4.23Å; E119-Y163 PolarHBondContact O-OH 3.11Å; A130-Y163 HydrophobicContact CB-CD2 3.99Å; A130-Y163 HydrophobicContact CB-CE2 3.75Å; K131-Y163 HydrophobicContact CB-CD1 4.27Å; K131-Y163 HydrophobicContact CB-CD2 3.99Å; K131-Y163 HydrophobicContact CB-CE1 4.28Å; K131-Y163 HydrophobicContact CB-CE2 4Å; K131-Y163 HydrophobicContact CB-CG 4.08Å; K131-Y163 HydrophobicContact CD-CD1 3.64Å; K131-Y163 HydrophobicContact CD-CD2 4.45Å; K131-Y163 HydrophobicContact CD-CE1 4.27Å; K131-Y163 HydrophobicContact CD-CG 3.69Å; K131-Y163 HydrophobicContact CG-CD1 4.42Å; K131-Y163 HydrophobicContact CG-CG 4.47Å; K131-Y163 PolarHBondContact NZ-O 3.33Å; E160-Y163 HydrophobicContact CB-CD2 4.19Å; E160-Y163 HydrophobicContact CG-CD2 4.16Å; E160-Y163 HydrophobicContact CG-CE2 4.23Å; E160-Y163 VanDerWaalsContact O-CB 3.24Å; E160-Y163 WeakPolarHBondContact O-CB 3.43Å; E160-Y163 PolarHBondContact O-N 3.48Å; R161-Y163 PolarHBondContact O-N 3.39Å
164	F	96.2	Very high	92.7	Very high	17 Å²	17	56.5 Å²	56.5	8%	0.075	29%	0.286	C	S	.	.			trans	-77.5	138.2	176.5	-56.8	-80.1	0	0	0	110.8	F113 A134 L137 S138 L150 I152 I155 E160 L168 P170	F113-F164 HydrophobicContact CE2-CE1 4.47Å; F113-F164 HydrophobicContact CE2-CZ 4.2Å; F113-F164 HydrophobicContact CZ-CZ 4.31Å; A134-F164 HydrophobicContact CB-CD1 3.81Å; A134-F164 HydrophobicContact CB-CE1 3.69Å; A134-F164 HydrophobicContact CB-CE2 4.48Å; A134-F164 HydrophobicContact CB-CG 4.29Å; A134-F164 HydrophobicContact CB-CZ 4.05Å; L137-F164 HydrophobicContact CD1-CE1 4.18Å; S138-F164 WeakPolarHBondContact OG-CA 3.49Å; L150-F164 HydrophobicContact CD2-CD1 4.01Å; L150-F164 HydrophobicContact CD2-CE1 3.42Å; L150-F164 VanDerWaalsContact CD2-CE1 3.42Å; L150-F164 HydrophobicContact CD2-CZ 4.01Å; I152-F164 HydrophobicContact CD1-CE1 4.42Å; I152-F164 HydrophobicContact CD1-CE2 4.27Å; I152-F164 HydrophobicContact CD1-CZ 3.66Å; I155-F164 HydrophobicContact CD1-CE2 4.39Å; E160-F164 WeakPolarHBondContact O-CD2 3.25Å; E160-F164 WeakPolarHBondContact O-CE2 3.29Å; F164-L168 HydrophobicContact CB-CD2 3.92Å; F164-L168 HydrophobicContact CD1-CD2 3.59Å; F164-L168 HydrophobicContact CE1-CD2 4.43Å; F164-L168 HydrophobicContact CG-CD2 3.96Å; F164-P170 HydrophobicContact CB-CB 4.46Å; F164-P170 HydrophobicContact CB-CG 3.99Å; F164-P170 HydrophobicContact CD2-CB 3.81Å; F164-P170 HydrophobicContact CD2-CG 3.92Å; F164-P170 HydrophobicContact CE2-CB 4.27Å; F164-P170 HydrophobicContact CG-CB 4.11Å; F164-P170 HydrophobicContact CG-CG 4.13Å
165	T	90.4	Very high	92.7	Very high	51 Å²	51	55.3 Å²	55.3	31%	0.313	28%	0.282	S	S	.	.			trans	-137.6	172.1	-173.7	62.8	0	0	0	0	112.3	S138 S167 L168	S138-T165 WeakPolarHBondContact CB-O 3.4Å; S138-T165 PolarHBondContact OG-N 2.88Å; T165-S167 PolarHBondContact O-N 3.42Å; T165-L168 PolarHBondContact O-N 3.36Å
166	S	81.6	Confident	92.6	Very high	112 Å²	112	55.1 Å²	55.1	78%	0.783	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-98.4	161.4	-47.7	0	0	0	0	115.7
167	S	88.5	Confident	92.7	Very high	18 Å²	18	55 Å²	55	13%	0.126	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.8	-167.1	51.9	0	0	0	0	113.3	S138 I140 P147 C148 T165	S138-S167 PolarHBondContact O-OG 2.82Å; I140-S167 WeakPolarHBondContact O-CB 3.27Å; I140-S167 PolarHBondContact O-OG 2.92Å; P147-S167 VanDerWaalsContact CA-O 3.23Å; P147-S167 WeakPolarHBondContact CA-O 3.37Å; P147-S167 VanDerWaalsContact CB-C 3.48Å; P147-S167 WeakPolarHBondContact CB-O 3.18Å; C148-S167 PolarHBondContact N-O 3.05Å; T165-S167 PolarHBondContact O-N 3.42Å
168	L	95.8	Very high	92.7	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.8	-178.1	-174.2	150.6	0	0	0	111.1	L137 I140 C148 L150 F164 T165	L137-L168 HydrophobicContact CB-CD1 3.95Å; L137-L168 VanDerWaalsContact O-CD1 3.22Å; L137-L168 WeakPolarHBondContact O-CD1 3.28Å; I140-L168 HydrophobicContact CD1-CD1 4.22Å; C148-L168 WeakPolarHBondContact O-CA 3.45Å; L150-L168 HydrophobicContact CB-CD1 4.03Å; L150-L168 HydrophobicContact CB-CD2 3.7Å; L150-L168 HydrophobicContact CB-CG 4Å; L150-L168 HydrophobicContact CD2-CD1 4.09Å; L150-L168 HydrophobicContact CD2-CD2 3.96Å; F164-L168 HydrophobicContact CB-CD2 3.92Å; F164-L168 HydrophobicContact CD1-CD2 3.59Å; F164-L168 HydrophobicContact CE1-CD2 4.43Å; F164-L168 HydrophobicContact CG-CD2 3.96Å; T165-L168 PolarHBondContact O-N 3.36Å
169	V	96.7	Very high	92.6	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.248	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.8	179.1	-178.9	0	0	0	0	109.4	P147 C148 Y149 L150	P147-V169 HydrophobicContact CB-CG2 4.01Å; P147-V169 HydrophobicContact CG-CG2 3.67Å; C148-V169 PolarHBondContact O-N 2.8Å; Y149-V169 WeakPolarHBondContact CA-O 3.33Å; Y149-V169 HydrophobicContact CD1-CB 3.77Å; Y149-V169 HydrophobicContact CD1-CG1 3.97Å; Y149-V169 HydrophobicContact CE1-CB 3.9Å; Y149-V169 HydrophobicContact CE1-CG1 3.92Å; Y149-V169 HydrophobicContact CE1-CG2 4.36Å; L150-V169 PolarHBondContact N-O 2.85Å
170	P	96.9	Very high	92.5	Very high	13 Å²	13	50.9 Å²	50.9	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.6	179.4	30.3	-35.4	0	0	0	111.9	L150 R161 F164 L172	L150-P170 CarbonylContact O-C 3.59Å; L150-P170 WeakPolarHBondContact O-CA 3.33Å; R161-P170 HydrophobicContact CG-CG 4.06Å; R161-P170 PolarHBondContact NH1-O 3.19Å; R161-P170 VanDerWaalsContact NH1-O 3.14Å; F164-P170 HydrophobicContact CB-CB 4.46Å; F164-P170 HydrophobicContact CB-CG 3.99Å; F164-P170 HydrophobicContact CD2-CB 3.81Å; F164-P170 HydrophobicContact CD2-CG 3.92Å; F164-P170 HydrophobicContact CE2-CB 4.27Å; F164-P170 HydrophobicContact CG-CB 4.11Å; F164-P170 HydrophobicContact CG-CG 4.13Å; P170-L172 HydrophobicContact CB-CD2 4.43Å
171	R	96.2	Very high	92.4	Very high	111 Å²	111	57 Å²	57	42%	0.419	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	91.2	172.6	-64.7	-67.4	-179.7	-114	5.3	107.4	Y149 L150 A151 I152 L173	Y149-R171 HydrophobicContact CD1-CG 4.37Å; Y149-R171 VanDerWaalsContact CE1-NH2 3.25Å; L150-R171 PolarHBondContact O-N 3.46Å; A151-R171 WeakPolarHBondContact CA-O 3.49Å; A151-R171 HydrophobicContact CB-CB 4.4Å; I152-R171 PolarHBondContact N-O 3.05Å; R171-L173 PolarHBondContact O-N 3.29Å
172	L	94.5	Very high	92.2	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.2	175.8	-52.2	-177	0	0	0	108	I152 I155 L158 R161 P170	I152-L172 HydrophobicContact CB-CD2 4.26Å; I152-L172 HydrophobicContact CD1-CD2 4.34Å; I155-L172 HydrophobicContact CB-CD2 4.3Å; I155-L172 HydrophobicContact CD1-CD2 4.04Å; I155-L172 HydrophobicContact CG2-CD1 3.87Å; I155-L172 HydrophobicContact CG2-CD2 3.87Å; I155-L172 HydrophobicContact CG2-CG 4.28Å; L158-L172 HydrophobicContact CD2-CD1 3.95Å; R161-L172 HydrophobicContact CB-CD1 4Å; P170-L172 HydrophobicContact CB-CD2 4.43Å
173	L	93.3	Very high	92	Very high	79 Å²	79	49 Å²	49	41%	0.414	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	163.4	-179.7	-57.4	178.3	0	0	0	109.1	A151 I152 F153 D154 R171	A151-L173 HydrophobicContact CB-CD1 4.05Å; I152-L173 PolarHBondContact O-N 2.86Å; F153-L173 CarbonylContact C-O 3.57Å; F153-L173 WeakPolarHBondContact CA-O 3.44Å; F153-L173 HydrophobicContact CD1-CB 3.95Å; F153-L173 HydrophobicContact CE1-CB 3.88Å; F153-L173 HydrophobicContact CE1-CD1 4.2Å; F153-L173 HydrophobicContact CE2-CD1 3.96Å; F153-L173 HydrophobicContact CG-CB 4.34Å; F153-L173 HydrophobicContact CZ-CB 4.19Å; F153-L173 HydrophobicContact CZ-CD1 3.69Å; D154-L173 PolarHBondContact N-O 3.49Å; R171-L173 PolarHBondContact O-N 3.29Å
174	S	91.3	Very high	91.9	Very high	37 Å²	37	47.7 Å²	47.7	26%	0.259	25%	0.251	S	S	.	.			trans	-134	131.3	172	-177.9	0	0	0	0	109	D154 V176	D154-S174 VanDerWaalsContact OD1-CA 3.29Å; D154-S174 WeakPolarHBondContact OD1-CA 3.22Å; D154-S174 WeakPolarHBondContact OD1-CB 3.41Å; D154-S174 PolarHBondContact OD1-OG 3.14Å; S174-V176 VanDerWaalsContact C-N 3.31Å; S174-V176 WeakPolarHBondContact OG-CB 3.49Å; S174-V176 PolarHBondContact OG-N 2.77Å
175	A	88.1	Confident	91.7	Very high	11 Å²	11	54.3 Å²	54.3	9%	0.091	28%	0.282	C	S	.	.	S	Bend	trans	-84.4	-13.9	173.1	0	0	0	0	0	111.6	F153 D154 Y178 F179	F153-A175 HydrophobicContact CD1-CB 3.98Å; F153-A175 HydrophobicContact CE1-CB 4.45Å; D154-A175 PolarHBondContact OD2-N 3.19Å; A175-Y178 WeakPolarHBondContact O-CB 3.42Å; A175-Y178 PolarHBondContact O-N 2.74Å; A175-Y178 VanDerWaalsContact O-N 3.16Å; A175-F179 HydrophobicContact CB-CD2 3.85Å; A175-F179 HydrophobicContact CB-CE2 3.46Å; A175-F179 VanDerWaalsContact CB-CE2 3.46Å; A175-F179 HydrophobicContact CB-CZ 4.33Å; A175-F179 WeakPolarHBondContact O-CD2 3.27Å; A175-F179 PolarHBondContact O-N 3.04Å; A175-F179 VanDerWaalsContact O-N 3.1Å
176	V	90.6	Very high	91.8	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-55.4	-45	-175.3	176.9	0	0	0	0	113.4	S174 Y178 F179 M180 F203 M206 V242	S174-V176 VanDerWaalsContact C-N 3.31Å; S174-V176 WeakPolarHBondContact OG-CB 3.49Å; S174-V176 PolarHBondContact OG-N 2.77Å; V176-Y178 VanDerWaalsContact C-N 3.32Å; V176-Y178 PolarHBondContact O-N 2.8Å; V176-F179 CarbonylContact O-C 3.53Å; V176-F179 PolarHBondContact O-N 3.11Å; V176-F179 VanDerWaalsContact O-N 3.1Å; V176-M180 HydrophobicContact CG1-CE 3.54Å; V176-M180 HydrophobicContact CG1-CG 4.09Å; V176-M180 VanDerWaalsContact O-CG 3.27Å; V176-M180 WeakPolarHBondContact O-CG 3.47Å; V176-M180 PolarHBondContact O-N 2.85Å; V176-F203 HydrophobicContact CB-CD1 4.17Å; V176-F203 HydrophobicContact CG1-CB 4.39Å; V176-F203 HydrophobicContact CG1-CD1 4.22Å; V176-F203 HydrophobicContact CG2-CD1 3.62Å; V176-F203 HydrophobicContact CG2-CE1 3.65Å; V176-F203 HydrophobicContact CG2-CG 4.33Å; V176-F203 HydrophobicContact CG2-CZ 4.36Å; V176-M206 HydrophobicContact CB-SD 3.81Å; V176-M206 HydrophobicContact CG1-CB 4.25Å; V176-M206 HydrophobicContact CG1-SD 3.98Å; V176-V242 HydrophobicContact CG1-CG1 4.09Å; V176-V242 HydrophobicContact CG2-CG1 4.32Å
177	P	91	Very high	92.3	Very high	54 Å²	54	58 Å²	58	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-57.7	-43	178	-25.9	35.7	0	0	0	113.3	F179 M180 E181 M206	P177-F179 VanDerWaalsContact C-N 3.32Å; P177-F179 PolarHBondContact O-N 3.16Å; P177-M180 WeakPolarHBondContact O-CB 3.48Å; P177-M180 PolarHBondContact O-N 2.84Å; P177-E181 PolarHBondContact O-N 2.87Å; P177-E181 VanDerWaalsContact O-N 3.09Å; P177-M206 HydrophobicContact CG-CB 4.47Å; P177-M206 HydrophobicContact CG-CG 4.45Å; P177-M206 HydrophobicContact CG-SD 4.07Å
178	Y	90.4	Very high	92.5	Very high	138 Å²	138	60.6 Å²	60.6	54%	0.541	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.6	177.6	-109.9	0	0	0	111.6	A175 V176 E181 L182	A175-Y178 WeakPolarHBondContact O-CB 3.42Å; A175-Y178 PolarHBondContact O-N 2.74Å; A175-Y178 VanDerWaalsContact O-N 3.16Å; V176-Y178 VanDerWaalsContact C-N 3.32Å; V176-Y178 PolarHBondContact O-N 2.8Å; Y178-E181 WeakPolarHBondContact O-CB 3.42Å; Y178-E181 PolarHBondContact O-N 2.73Å; Y178-L182 HydrophobicContact CD1-CD1 4.02Å; Y178-L182 HydrophobicContact CE1-CD1 3.44Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.44Å; Y178-L182 HydrophobicContact CE1-CG 4.24Å; Y178-L182 HydrophobicContact CE2-CD1 4.49Å; Y178-L182 HydrophobicContact CE2-CG 4.48Å; Y178-L182 WeakPolarHBondContact O-CG 3.31Å; Y178-L182 PolarHBondContact O-N 3.34Å; Y178-L182 VanDerWaalsContact O-N 3.13Å
179	F	90	Very high	92.3	Very high	28 Å²	28	67.5 Å²	67.5	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-68.9	-35.9	175.7	-67	-50.3	0	0	0	113.7	A175 V176 P177 E181 L182 I183 L266 H268	A175-F179 HydrophobicContact CB-CD2 3.85Å; A175-F179 HydrophobicContact CB-CE2 3.46Å; A175-F179 VanDerWaalsContact CB-CE2 3.46Å; A175-F179 HydrophobicContact CB-CZ 4.33Å; A175-F179 WeakPolarHBondContact O-CD2 3.27Å; A175-F179 PolarHBondContact O-N 3.04Å; A175-F179 VanDerWaalsContact O-N 3.1Å; V176-F179 CarbonylContact O-C 3.53Å; V176-F179 PolarHBondContact O-N 3.11Å; V176-F179 VanDerWaalsContact O-N 3.1Å; P177-F179 VanDerWaalsContact C-N 3.32Å; P177-F179 PolarHBondContact O-N 3.16Å; F179-E181 VanDerWaalsContact C-N 3.31Å; F179-E181 PolarHBondContact O-N 2.84Å; F179-L182 HydrophobicContact CD1-CD1 4.27Å; F179-L182 PolarHBondContact O-N 3.47Å; F179-I183 WeakPolarHBondContact O-CB 3.25Å; F179-I183 WeakPolarHBondContact O-CD1 3.31Å; F179-I183 WeakPolarHBondContact O-CG1 3.41Å; F179-I183 PolarHBondContact O-N 3.38Å; F179-L266 HydrophobicContact CB-CD1 3.45Å; F179-L266 VanDerWaalsContact CB-CD1 3.45Å; F179-L266 HydrophobicContact CB-CD2 4.18Å; F179-L266 HydrophobicContact CB-CG 4.41Å; F179-L266 HydrophobicContact CD1-CD1 4.08Å; F179-L266 HydrophobicContact CD1-CD2 3.22Å; F179-L266 HydrophobicContact CD1-CG 4.2Å; F179-L266 HydrophobicContact CD2-CB 4.42Å; F179-L266 HydrophobicContact CD2-CD1 3.45Å; F179-L266 VanDerWaalsContact CD2-CD1 3.45Å; F179-L266 HydrophobicContact CD2-CD2 3.92Å; F179-L266 HydrophobicContact CD2-CG 4.09Å; F179-L266 HydrophobicContact CE1-CD2 3.34Å; F179-L266 HydrophobicContact CE1-CG 4.45Å; F179-L266 HydrophobicContact CE2-CB 4.22Å; F179-L266 HydrophobicContact CE2-CD1 4.09Å; F179-L266 HydrophobicContact CE2-CD2 3.96Å; F179-L266 HydrophobicContact CE2-CG 4.28Å; F179-L266 HydrophobicContact CG-CD1 3.4Å; F179-L266 VanDerWaalsContact CG-CD1 3.4Å; F179-L266 HydrophobicContact CG-CD2 3.52Å; F179-L266 HydrophobicContact CG-CG 4Å; F179-L266 HydrophobicContact CZ-CB 4.47Å; F179-L266 HydrophobicContact CZ-CD2 3.67Å; F179-L266 HydrophobicContact CZ-CG 4.44Å; F179-H268 AromaticContact CE2-NE2 3.78Å; F179-H268 AromaticContact CZ-CE1 3.71Å; F179-H268 AromaticContact CZ-NE2 3.27Å; F179-H268 VanDerWaalsContact CZ-NE2 3.27Å; F179-H268 WeakPolarHBondContact CZ-NE2 3.21Å
180	M	91.3	Very high	92	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-45.4	173	-67.6	-67.3	176.6	0	0	110.5	V176 P177 L182 I183 F184 I192 V207 V242	V176-M180 HydrophobicContact CG1-CE 3.54Å; V176-M180 HydrophobicContact CG1-CG 4.09Å; V176-M180 VanDerWaalsContact O-CG 3.27Å; V176-M180 WeakPolarHBondContact O-CG 3.47Å; V176-M180 PolarHBondContact O-N 2.85Å; P177-M180 WeakPolarHBondContact O-CB 3.48Å; P177-M180 PolarHBondContact O-N 2.84Å; M180-L182 PolarHBondContact O-N 3.03Å; M180-I183 PolarHBondContact O-N 3.06Å; M180-F184 HydrophobicContact CB-CD2 4.34Å; M180-F184 HydrophobicContact CB-CE2 4.28Å; M180-F184 WeakPolarHBondContact O-CD2 3.33Å; M180-F184 PolarHBondContact O-N 3.07Å; M180-F184 HydrophobicContact SD-CE2 4.06Å; M180-I192 HydrophobicContact CE-CD1 4.36Å; M180-I192 HydrophobicContact CE-CG1 4.31Å; M180-I192 HydrophobicContact CE-CG2 3.92Å; M180-I192 HydrophobicContact SD-CD1 3.68Å; M180-I192 HydrophobicContact SD-CG1 3.83Å; M180-V207 HydrophobicContact CE-CG2 3.79Å; M180-V207 HydrophobicContact SD-CG2 4.29Å; M180-V242 HydrophobicContact CE-CB 4.44Å; M180-V242 HydrophobicContact CE-CG1 4.21Å; M180-V242 HydrophobicContact CE-CG2 3.83Å
181	E	91.6	Very high	91.8	Very high	130 Å²	130	65.1 Å²	65.1	61%	0.607	31%	0.31	S	S	*	.	H	α-helix	trans	-55.9	-51.3	175.2	-70.1	173	-171.9	0	0	111.4	P177 Y178 F179 I183 F184 E185	P177-E181 PolarHBondContact O-N 2.87Å; P177-E181 VanDerWaalsContact O-N 3.09Å; Y178-E181 WeakPolarHBondContact O-CB 3.42Å; Y178-E181 PolarHBondContact O-N 2.73Å; F179-E181 VanDerWaalsContact C-N 3.31Å; F179-E181 PolarHBondContact O-N 2.84Å; E181-I183 PolarHBondContact O-N 3.49Å; E181-F184 PolarHBondContact O-N 3.34Å; E181-E185 VanDerWaalsContact O-CB 3.3Å; E181-E185 WeakPolarHBondContact O-CB 3.46Å; E181-E185 PolarHBondContact O-N 2.66Å
182	L	91.4	Very high	91.7	Very high	70 Å²	70	59.9 Å²	59.9	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-39.2	178.8	-68.8	178.2	0	0	0	113.4	Y178 F179 M180 R186	Y178-L182 HydrophobicContact CD1-CD1 4.02Å; Y178-L182 HydrophobicContact CE1-CD1 3.44Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.44Å; Y178-L182 HydrophobicContact CE1-CG 4.24Å; Y178-L182 HydrophobicContact CE2-CD1 4.49Å; Y178-L182 HydrophobicContact CE2-CG 4.48Å; Y178-L182 WeakPolarHBondContact O-CG 3.31Å; Y178-L182 PolarHBondContact O-N 3.34Å; Y178-L182 VanDerWaalsContact O-N 3.13Å; F179-L182 HydrophobicContact CD1-CD1 4.27Å; F179-L182 PolarHBondContact O-N 3.47Å; M180-L182 PolarHBondContact O-N 3.03Å; L182-R186 WeakPolarHBondContact O-CB 3.46Å; L182-R186 PolarHBondContact O-N 3.06Å
183	I	90.7	Very high	91.5	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.108	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-50.1	177.9	-72	159.1	0	0	0	109.6	F179 M180 E181 R186 D187 A190 I192 V240	F179-I183 WeakPolarHBondContact O-CB 3.25Å; F179-I183 WeakPolarHBondContact O-CD1 3.31Å; F179-I183 WeakPolarHBondContact O-CG1 3.41Å; F179-I183 PolarHBondContact O-N 3.38Å; M180-I183 PolarHBondContact O-N 3.06Å; E181-I183 PolarHBondContact O-N 3.49Å; I183-R186 PolarHBondContact O-N 3.16Å; I183-D187 PolarHBondContact O-N 3.37Å; I183-A190 HydrophobicContact CG2-CB 3.87Å; I183-I192 HydrophobicContact CD1-CD1 4.45Å; I183-I192 HydrophobicContact CG2-CD1 4.28Å; I183-V240 HydrophobicContact CD1-CG1 3.75Å; I183-V240 HydrophobicContact CG1-CG1 4.39Å; I183-V240 HydrophobicContact CG2-CG2 4.04Å
184	F	93.2	Very high	91.4	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-78	-23	-175.5	-68.1	-57.4	0	0	0	114.2	M180 E181 R186 D187 P188 A190 I192 P208 K211	M180-F184 HydrophobicContact CB-CD2 4.34Å; M180-F184 HydrophobicContact CB-CE2 4.28Å; M180-F184 WeakPolarHBondContact O-CD2 3.33Å; M180-F184 PolarHBondContact O-N 3.07Å; M180-F184 HydrophobicContact SD-CE2 4.06Å; E181-F184 PolarHBondContact O-N 3.34Å; F184-R186 VanDerWaalsContact C-N 3.35Å; F184-D187 CarbonylContact O-C 3.55Å; F184-P188 WeakPolarHBondContact O-CA 3.22Å; F184-A190 HydrophobicContact CD1-CB 4.48Å; F184-A190 HydrophobicContact CE1-CB 4.33Å; F184-A190 WeakPolarHBondContact CE1-O 3.43Å; F184-I192 HydrophobicContact CE2-CD1 4.38Å; F184-I192 HydrophobicContact CE2-CG1 4.27Å; F184-I192 HydrophobicContact CZ-CD1 3.92Å; F184-I192 HydrophobicContact CZ-CG1 3.65Å; F184-P208 HydrophobicContact CD2-CG 3.98Å; F184-P208 HydrophobicContact CE2-CG 3.93Å; F184-K211 HydrophobicContact CD1-CD 3.75Å; F184-K211 HydrophobicContact CD1-CG 4.3Å; F184-K211 HydrophobicContact CD2-CG 4.47Å; F184-K211 HydrophobicContact CE1-CB 4.11Å; F184-K211 HydrophobicContact CE1-CD 3.4Å; F184-K211 HydrophobicContact CE1-CG 3.68Å; F184-K211 HydrophobicContact CE2-CB 4.49Å; F184-K211 HydrophobicContact CE2-CD 4.42Å; F184-K211 HydrophobicContact CE2-CG 3.93Å; F184-K211 HydrophobicContact CG-CD 4.37Å; F184-K211 HydrophobicContact CZ-CB 3.73Å; F184-K211 HydrophobicContact CZ-CD 3.78Å; F184-K211 HydrophobicContact CZ-CG 3.46Å; F184-K211 VanDerWaalsContact CZ-CG 3.46Å
185	E	92.8	Very high	91.2	Very high	156 Å²	156	53 Å²	53	73%	0.729	25%	0.251	S	S	*	.	H	α-helix	trans	-65.6	-41.4	168	-175.5	179.3	-172.9	0	0	110.7	E181	E181-E185 VanDerWaalsContact O-CB 3.3Å; E181-E185 WeakPolarHBondContact O-CB 3.46Å; E181-E185 PolarHBondContact O-N 2.66Å
186	R	91.6	Very high	91.1	Very high	202 Å²	202	54.2 Å²	54.2	76%	0.762	26%	0.256	S	S	*	.	H	α-helix	trans	-78.1	-38	179.5	-174.1	175.1	-179.7	179.1	0.6	113.2	L182 I183 F184	L182-R186 WeakPolarHBondContact O-CB 3.46Å; L182-R186 PolarHBondContact O-N 3.06Å; I183-R186 PolarHBondContact O-N 3.16Å; F184-R186 VanDerWaalsContact C-N 3.35Å
187	D	92	Very high	90.9	Very high	39 Å²	39	56.3 Å²	56.3	21%	0.209	27%	0.274	C	S	.	.			trans	-143.1	95.4	179.4	-177.7	6.2	0	0	0	110.9	I183 F184 E189 A190 H238	I183-D187 PolarHBondContact O-N 3.37Å; F184-D187 CarbonylContact O-C 3.55Å; D187-E189 PolarHBondContact O-N 2.98Å; D187-E189 PolarHBondContact OD1-N 2.73Å; D187-A190 HydrophobicContact CB-CB 4.04Å; D187-A190 WeakPolarHBondContact O-CB 3.28Å; D187-A190 PolarHBondContact O-N 2.97Å; D187-A190 PolarHBondContact OD1-N 3.47Å; D187-H238 WeakPolarHBondContact OD2-CB 3.22Å; D187-H238 IonicContact OD2-CE1 3.81Å; D187-H238 IonicContact OD2-CG 3.44Å; D187-H238 IonicContact OD2-ND1 2.69Å; D187-H238 PolarHBondContact OD2-ND1 2.91Å
188	P	92.5	Very high	90.7	Very high	72 Å²	72	55.4 Å²	55.4	47%	0.468	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.7	177.2	-26.1	35.3	0	0	0	114.2	F184 K211	F184-P188 WeakPolarHBondContact O-CA 3.22Å; P188-K211 PolarHBondContact O-NZ 2.88Å
189	E	91.3	Very high	90.6	Very high	154 Å²	154	48.8 Å²	48.8	72%	0.72	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.8	-176.9	-61	-58.2	124.8	0	0	112.9	D187	D187-E189 PolarHBondContact O-N 2.98Å; D187-E189 PolarHBondContact OD1-N 2.73Å
190	A	91.9	Very high	90.6	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.255	C	S	.	.			trans	-56.9	144.8	175.3	0	0	0	0	0	111.3	I183 F184 D187 V240	I183-A190 HydrophobicContact CG2-CB 3.87Å; F184-A190 HydrophobicContact CD1-CB 4.48Å; F184-A190 HydrophobicContact CE1-CB 4.33Å; F184-A190 WeakPolarHBondContact CE1-O 3.43Å; D187-A190 HydrophobicContact CB-CB 4.04Å; D187-A190 WeakPolarHBondContact O-CB 3.28Å; D187-A190 PolarHBondContact O-N 2.97Å; D187-A190 PolarHBondContact OD1-N 3.47Å; A190-V240 HydrophobicContact CB-CG2 4.39Å
191	V	92.6	Very high	90.6	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126	177	177.4	0	0	0	0	109.5	Q212 I214 K237 H238 V239 V240	V191-Q212 HydrophobicContact CB-CB 4.49Å; V191-Q212 HydrophobicContact CG1-CB 4.02Å; V191-Q212 WeakPolarHBondContact CG1-O 3.37Å; V191-Q212 HydrophobicContact CG2-CB 3.88Å; V191-I214 HydrophobicContact CG1-CD1 3.61Å; V191-I214 HydrophobicContact CG1-CG1 3.64Å; V191-K237 HydrophobicContact CB-CD 4.46Å; V191-K237 HydrophobicContact CG2-CB 4.02Å; V191-K237 HydrophobicContact CG2-CD 3.47Å; V191-K237 VanDerWaalsContact CG2-CD 3.47Å; V191-K237 HydrophobicContact CG2-CG 4.32Å; V191-H238 PolarHBondContact N-O 2.85Å; V191-V239 CarbonylContact O-C 3.57Å; V191-V239 WeakPolarHBondContact O-CA 3.49Å; V191-V240 PolarHBondContact O-N 3.2Å
192	I	93.2	Very high	90.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.7	179.3	-58.4	-55.1	0	0	0	109.1	M180 I183 F184 F194 V207 Q212 T213 I214 V240 V242	M180-I192 HydrophobicContact CE-CD1 4.36Å; M180-I192 HydrophobicContact CE-CG1 4.31Å; M180-I192 HydrophobicContact CE-CG2 3.92Å; M180-I192 HydrophobicContact SD-CD1 3.68Å; M180-I192 HydrophobicContact SD-CG1 3.83Å; I183-I192 HydrophobicContact CD1-CD1 4.45Å; I183-I192 HydrophobicContact CG2-CD1 4.28Å; F184-I192 HydrophobicContact CE2-CD1 4.38Å; F184-I192 HydrophobicContact CE2-CG1 4.27Å; F184-I192 HydrophobicContact CZ-CD1 3.92Å; F184-I192 HydrophobicContact CZ-CG1 3.65Å; I192-F194 HydrophobicContact CG2-CE1 3.95Å; I192-F194 HydrophobicContact CG2-CE2 4.3Å; I192-F194 HydrophobicContact CG2-CZ 3.71Å; I192-V207 HydrophobicContact CB-CG2 4.19Å; I192-V207 HydrophobicContact CG1-CG1 4.28Å; I192-V207 HydrophobicContact CG1-CG2 4.27Å; I192-V207 HydrophobicContact CG2-CG2 3.89Å; I192-Q212 PolarHBondContact N-O 2.94Å; I192-Q212 VanDerWaalsContact N-O 3.11Å; I192-T213 CarbonylContact O-C 3.48Å; I192-T213 WeakPolarHBondContact O-CA 3.45Å; I192-I214 PolarHBondContact O-N 3.41Å; I192-V240 CarbonylContact C-O 3.56Å; I192-V240 HydrophobicContact CD1-CB 4.22Å; I192-V242 HydrophobicContact CG2-CB 4.3Å; I192-V242 HydrophobicContact CG2-CG2 3.84Å
193	A	91.6	Very high	90.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.3	-176	0	0	0	0	0	112.8	I214 V239 V240 I241 V242 W259	A193-I214 CarbonylContact C-O 3.57Å; A193-I214 VanDerWaalsContact CA-O 3.26Å; A193-I214 WeakPolarHBondContact CA-O 3.43Å; A193-I214 HydrophobicContact CB-CB 3.85Å; A193-I214 HydrophobicContact CB-CG2 4.42Å; A193-V239 HydrophobicContact CB-CG1 3.39Å; A193-V240 PolarHBondContact N-O 3.2Å; A193-I241 WeakPolarHBondContact O-CA 3.35Å; A193-V242 PolarHBondContact O-N 3.22Å; A193-W259 HydrophobicContact CB-CE3 4.45Å; A193-W259 HydrophobicContact CB-CH2 2.99Å; A193-W259 HydrophobicContact CB-CZ2 3.88Å; A193-W259 HydrophobicContact CB-CZ3 3.3Å
194	F	90.6	Very high	90.4	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.3	-176.3	-57	-65.3	0	0	0	109.6	I192 D196 A199 E200 F203 V207 T213 I214 V215 C216 V242	I192-F194 HydrophobicContact CG2-CE1 3.95Å; I192-F194 HydrophobicContact CG2-CE2 4.3Å; I192-F194 HydrophobicContact CG2-CZ 3.71Å; F194-D196 VanDerWaalsContact C-N 3.26Å; F194-D196 PolarHBondContact O-N 2.66Å; F194-A199 HydrophobicContact CB-CB 4.22Å; F194-A199 HydrophobicContact CD1-CB 4.26Å; F194-E200 HydrophobicContact CB-CB 3.9Å; F194-E200 HydrophobicContact CD2-CB 3.74Å; F194-E200 HydrophobicContact CD2-CG 3.8Å; F194-E200 HydrophobicContact CE2-CB 4.45Å; F194-E200 HydrophobicContact CE2-CG 4.19Å; F194-E200 HydrophobicContact CG-CB 3.81Å; F194-E200 HydrophobicContact CG-CG 4.38Å; F194-F203 HydrophobicContact CE1-CB 3.76Å; F194-V207 HydrophobicContact CZ-CG2 3.81Å; F194-T213 HydrophobicContact CE2-CG2 3.97Å; F194-I214 PolarHBondContact N-O 2.9Å; F194-V215 HydrophobicContact CD2-CG2 4.39Å; F194-C216 WeakPolarHBondContact O-CB 3.15Å; F194-C216 PolarHBondContact O-N 2.91Å; F194-V242 HydrophobicContact CE1-CB 4.27Å
195	P	86.4	Confident	90.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-71.7	-20.9	-176.9	26	-31.8	0	0	0	113.4	A199 C216 I241 V242 D243 T251	P195-A199 HydrophobicContact CG-CB 4.22Å; P195-C216 VanDerWaalsContact O-CB 3.3Å; P195-C216 WeakPolarHBondContact O-CB 3.45Å; P195-I241 HydrophobicContact CG-CG2 4.35Å; P195-V242 WeakPolarHBondContact CD-O 3.32Å; P195-D243 HydrophobicContact CG-CB 3.81Å; P195-D243 WeakPolarHBondContact CG-OD2 3.48Å; P195-T251 HydrophobicContact CB-CG2 3.68Å
196	D	86.2	Confident	90.3	Very high	36 Å²	36	56 Å²	56	19%	0.193	28%	0.28	C	S	.	.	S	Bend	trans	-152	172.6	170	61.2	49.8	0	0	0	111.7	F194 G198 A199 E200 C216 K218	F194-D196 VanDerWaalsContact C-N 3.26Å; F194-D196 PolarHBondContact O-N 2.66Å; D196-G198 PolarHBondContact O-N 3.36Å; D196-G198 VanDerWaalsContact OD1-CA 3.25Å; D196-G198 WeakPolarHBondContact OD1-CA 3.45Å; D196-G198 PolarHBondContact OD1-N 2.97Å; D196-A199 PolarHBondContact O-N 3.02Å; D196-A199 PolarHBondContact OD1-N 2.99Å; D196-E200 PolarHBondContact O-N 3.25Å; D196-C216 WeakPolarHBondContact CA-O 3.26Å; D196-K218 HydrophobicContact CB-CD 4.19Å; D196-K218 HydrophobicContact CB-CG 4.45Å; D196-K218 WeakPolarHBondContact OD2-CE 3.5Å; D196-K218 IonicContact OD2-NZ 2.67Å; D196-K218 PolarHBondContact OD2-NZ 3.27Å
197	A	87.1	Confident	90.4	Very high	51 Å²	51	47.1 Å²	47.1	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-20.6	178.1	0	0	0	0	0	113.7	K201	A197-K201 WeakPolarHBondContact O-CB 3.24Å; A197-K201 PolarHBondContact O-N 3.32Å
198	G	86.9	Confident	90.4	Very high	35 Å²	35	48 Å²	48	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-71.7	-46.1	176.4	0	0	0	0	0	111.4	D196 K201 R202	D196-G198 PolarHBondContact O-N 3.36Å; D196-G198 VanDerWaalsContact OD1-CA 3.25Å; D196-G198 WeakPolarHBondContact OD1-CA 3.45Å; D196-G198 PolarHBondContact OD1-N 2.97Å; G198-K201 PolarHBondContact O-N 3.41Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.29Å; G198-R202 PolarHBondContact O-N 2.93Å; G198-R202 PolarHBondContact O-NE 3.09Å
199	A	87.2	Confident	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-45.5	172	0	0	0	0	0	111.7	F194 P195 D196 K201 R202 F203	F194-A199 HydrophobicContact CB-CB 4.22Å; F194-A199 HydrophobicContact CD1-CB 4.26Å; P195-A199 HydrophobicContact CG-CB 4.22Å; D196-A199 PolarHBondContact O-N 3.02Å; D196-A199 PolarHBondContact OD1-N 2.99Å; A199-K201 PolarHBondContact O-N 3.2Å; A199-R202 PolarHBondContact O-N 3.17Å; A199-R202 VanDerWaalsContact O-N 3.15Å; A199-F203 HydrophobicContact CB-CD2 4.37Å; A199-F203 WeakPolarHBondContact O-CD2 3.39Å; A199-F203 PolarHBondContact O-N 3.16Å
200	E	91.3	Very high	90.2	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.271	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-47.8	175.6	-176.8	-163.6	-168.3	0	0	111.7	F194 D196 R202 G204 V215	F194-E200 HydrophobicContact CB-CB 3.9Å; F194-E200 HydrophobicContact CD2-CB 3.74Å; F194-E200 HydrophobicContact CD2-CG 3.8Å; F194-E200 HydrophobicContact CE2-CB 4.45Å; F194-E200 HydrophobicContact CE2-CG 4.19Å; F194-E200 HydrophobicContact CG-CB 3.81Å; F194-E200 HydrophobicContact CG-CG 4.38Å; D196-E200 PolarHBondContact O-N 3.25Å; E200-R202 PolarHBondContact O-N 3.35Å; E200-G204 VanDerWaalsContact O-CA 3.22Å; E200-G204 WeakPolarHBondContact O-CA 3.5Å; E200-G204 PolarHBondContact O-N 2.87Å; E200-V215 HydrophobicContact CB-CG1 4.4Å; E200-V215 HydrophobicContact CB-CG2 4.47Å; E200-V215 HydrophobicContact CG-CG2 3.94Å; E200-V215 VanDerWaalsContact OE1-CG2 3.32Å; E200-V215 WeakPolarHBondContact OE1-CG2 3.11Å; E200-V215 WeakPolarHBondContact OE2-CG1 3.46Å
201	K	90.2	Very high	90.2	Very high	171 Å²	171	52.3 Å²	52.3	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-60.6	-34.5	179.4	-177.2	179.6	177.7	-176.6	0	112.7	A197 G198 A199	A197-K201 WeakPolarHBondContact O-CB 3.24Å; A197-K201 PolarHBondContact O-N 3.32Å; G198-K201 PolarHBondContact O-N 3.41Å; A199-K201 PolarHBondContact O-N 3.2Å
202	R	86.8	Confident	90.2	Very high	60 Å²	60	56.9 Å²	56.9	23%	0.226	32%	0.317	C	S	.	.	H	α-helix	trans	-79	-48.8	-178	-71.3	179.5	-65.3	172.2	10.3	112	H156 G198 A199 E200 D243 D244	H156-R202 PolarHBondContact ND1-NH1 3.03Å; H156-R202 WeakPolarHBondContact O-CD 3.38Å; H156-R202 PolarHBondContact O-NH1 2.98Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.29Å; G198-R202 PolarHBondContact O-N 2.93Å; G198-R202 PolarHBondContact O-NE 3.09Å; A199-R202 PolarHBondContact O-N 3.17Å; A199-R202 VanDerWaalsContact O-N 3.15Å; E200-R202 PolarHBondContact O-N 3.35Å; R202-D243 IonicContact NH2-OD1 2.74Å; R202-D243 PolarHBondContact NH2-OD1 3.36Å; R202-D244 IonicContact CZ-OD1 3.77Å; R202-D244 IonicContact CZ-OD2 3.37Å; R202-D244 IonicContact NH1-OD1 3.69Å; R202-D244 PolarHBondContact NH1-OD1 2.76Å; R202-D244 IonicContact NH1-OD2 3.94Å; R202-D244 PolarHBondContact NH1-OD2 3.02Å; R202-D244 IonicContact NH2-OD1 3.58Å; R202-D244 PolarHBondContact NH2-OD1 3.46Å; R202-D244 IonicContact NH2-OD2 3.56Å
203	F	91.1	Very high	90.2	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-108.6	-16	-167.3	-55.9	-55.1	0	0	0	113.9	D154 V176 F194 A199 K205 M206 V242 D244	D154-F203 WeakPolarHBondContact OD1-CE1 3.18Å; V176-F203 HydrophobicContact CB-CD1 4.17Å; V176-F203 HydrophobicContact CG1-CB 4.39Å; V176-F203 HydrophobicContact CG1-CD1 4.22Å; V176-F203 HydrophobicContact CG2-CD1 3.62Å; V176-F203 HydrophobicContact CG2-CE1 3.65Å; V176-F203 HydrophobicContact CG2-CG 4.33Å; V176-F203 HydrophobicContact CG2-CZ 4.36Å; F194-F203 HydrophobicContact CE1-CB 3.76Å; A199-F203 HydrophobicContact CB-CD2 4.37Å; A199-F203 WeakPolarHBondContact O-CD2 3.39Å; A199-F203 PolarHBondContact O-N 3.16Å; F203-K205 PolarHBondContact O-N 3.45Å; F203-M206 HydrophobicContact CD1-CE 4.34Å; F203-M206 HydrophobicContact CD1-SD 4Å; F203-M206 WeakPolarHBondContact O-CA 3.46Å; F203-M206 VanDerWaalsContact O-CB 3.32Å; F203-M206 WeakPolarHBondContact O-CB 3.22Å; F203-M206 PolarHBondContact O-N 2.87Å; F203-V242 HydrophobicContact CB-CG1 4.18Å; F203-V242 HydrophobicContact CD2-CG1 4.06Å; F203-V242 HydrophobicContact CG-CG1 4.14Å; F203-D244 HydrophobicContact CE2-CB 4.12Å; F203-D244 HydrophobicContact CZ-CB 3.89Å
204	G	91.9	Very high	90.3	Very high	25 Å²	25	59.7 Å²	59.7	26%	0.258	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-56.9	-35.1	-177.4	0	0	0	0	0	113.4	E200 M206 V207	E200-G204 VanDerWaalsContact O-CA 3.22Å; E200-G204 WeakPolarHBondContact O-CA 3.5Å; E200-G204 PolarHBondContact O-N 2.87Å; G204-M206 PolarHBondContact O-N 3.14Å; G204-V207 PolarHBondContact O-N 2.88Å
205	K	92.2	Very high	90.3	Very high	197 Å²	197	59.7 Å²	59.7	86%	0.857	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-72.4	-12.1	176.2	-62	-176.5	-179.2	-178	0	114.3	F203	F203-K205 PolarHBondContact O-N 3.45Å
206	M	92.4	Very high	90.4	Very high	65 Å²	65	59.7 Å²	59.7	32%	0.32	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-93.9	-9	178.6	-54.1	178.5	-176.7	0	0	111.8	V176 P177 F203 G204	V176-M206 HydrophobicContact CB-SD 3.81Å; V176-M206 HydrophobicContact CG1-CB 4.25Å; V176-M206 HydrophobicContact CG1-SD 3.98Å; P177-M206 HydrophobicContact CG-CB 4.47Å; P177-M206 HydrophobicContact CG-CG 4.45Å; P177-M206 HydrophobicContact CG-SD 4.07Å; F203-M206 HydrophobicContact CD1-CE 4.34Å; F203-M206 HydrophobicContact CD1-SD 4Å; F203-M206 WeakPolarHBondContact O-CA 3.46Å; F203-M206 VanDerWaalsContact O-CB 3.32Å; F203-M206 WeakPolarHBondContact O-CB 3.22Å; F203-M206 PolarHBondContact O-N 2.87Å; G204-M206 PolarHBondContact O-N 3.14Å
207	V	92.7	Very high	90.4	Very high	15 Å²	15	60.4 Å²	60.4	9%	0.091	34%	0.34	C	S	.	.	S	Bend	trans	-73.7	129	172.6	-179.7	0	0	0	0	108.3	M180 I192 F194 G204 K211 T213	M180-V207 HydrophobicContact CE-CG2 3.79Å; M180-V207 HydrophobicContact SD-CG2 4.29Å; I192-V207 HydrophobicContact CB-CG2 4.19Å; I192-V207 HydrophobicContact CG1-CG1 4.28Å; I192-V207 HydrophobicContact CG1-CG2 4.27Å; I192-V207 HydrophobicContact CG2-CG2 3.89Å; F194-V207 HydrophobicContact CZ-CG2 3.81Å; G204-V207 PolarHBondContact O-N 2.88Å; V207-K211 HydrophobicContact CG1-CB 3.73Å; V207-T213 HydrophobicContact CB-CG2 4.4Å; V207-T213 HydrophobicContact CG1-CG2 4.01Å; V207-T213 HydrophobicContact CG2-CG2 4.21Å
208	P	92.4	Very high	90	Very high	58 Å²	58	62 Å²	62	38%	0.377	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-58.5	143.9	176.9	-23.6	33.8	0	0	0	112.5	F184 G210 K211	F184-P208 HydrophobicContact CD2-CG 3.98Å; F184-P208 HydrophobicContact CE2-CG 3.93Å; P208-G210 PolarHBondContact O-N 2.89Å; P208-K211 HydrophobicContact CB-CG 4.08Å; P208-K211 HydrophobicContact CG-CG 4.47Å; P208-K211 WeakPolarHBondContact O-CB 3.34Å; P208-K211 WeakPolarHBondContact O-CG 3.46Å; P208-K211 PolarHBondContact O-N 3.03Å
209	D	90.9	Very high	89.4	Confident	170 Å²	170	63.5 Å²	63.5	91%	0.909	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	138.6	178.1	-69.3	-28.8	0	0	0	111.7	K211	D209-K211 VanDerWaalsContact C-N 3.29Å; D209-K211 PolarHBondContact O-N 3.09Å
210	G	88.8	Confident	88.5	Confident	83 Å²	83	72.7 Å²	72.7	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-11.4	-179.7	0	0	0	0	0	115.2	P208	P208-G210 PolarHBondContact O-N 2.89Å
211	K	92.2	Very high	87.4	Confident	65 Å²	65	75.2 Å²	75.2	28%	0.283	39%	0.386	S	S	.	.			trans	-75.3	144.9	171.9	-59.7	-61.6	-167.4	176.2	0	110.7	F184 P188 V207 P208 D209	F184-K211 HydrophobicContact CD1-CD 3.75Å; F184-K211 HydrophobicContact CD1-CG 4.3Å; F184-K211 HydrophobicContact CD2-CG 4.47Å; F184-K211 HydrophobicContact CE1-CB 4.11Å; F184-K211 HydrophobicContact CE1-CD 3.4Å; F184-K211 HydrophobicContact CE1-CG 3.68Å; F184-K211 HydrophobicContact CE2-CB 4.49Å; F184-K211 HydrophobicContact CE2-CD 4.42Å; F184-K211 HydrophobicContact CE2-CG 3.93Å; F184-K211 HydrophobicContact CG-CD 4.37Å; F184-K211 HydrophobicContact CZ-CB 3.73Å; F184-K211 HydrophobicContact CZ-CD 3.78Å; F184-K211 HydrophobicContact CZ-CG 3.46Å; F184-K211 VanDerWaalsContact CZ-CG 3.46Å; P188-K211 PolarHBondContact O-NZ 2.88Å; V207-K211 HydrophobicContact CG1-CB 3.73Å; P208-K211 HydrophobicContact CB-CG 4.08Å; P208-K211 HydrophobicContact CG-CG 4.47Å; P208-K211 WeakPolarHBondContact O-CB 3.34Å; P208-K211 WeakPolarHBondContact O-CG 3.46Å; P208-K211 PolarHBondContact O-N 3.03Å; D209-K211 VanDerWaalsContact C-N 3.29Å; D209-K211 PolarHBondContact O-N 3.09Å
212	Q	92.1	Very high	86.5	Confident	98 Å²	98	70.4 Å²	70.4	46%	0.458	39%	0.386	S	S	.	.			trans	-81.1	141.8	-179.2	-62.7	179.1	7.6	0	0	110.4	V191 I192 K237	V191-Q212 HydrophobicContact CB-CB 4.49Å; V191-Q212 HydrophobicContact CG1-CB 4.02Å; V191-Q212 WeakPolarHBondContact CG1-O 3.37Å; V191-Q212 HydrophobicContact CG2-CB 3.88Å; I192-Q212 PolarHBondContact N-O 2.94Å; I192-Q212 VanDerWaalsContact N-O 3.11Å; Q212-K237 VanDerWaalsContact OE1-CE 3.26Å
213	T	93.7	Very high	85.6	Confident	57 Å²	57	75.9 Å²	75.9	35%	0.35	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.9	174.6	58.1	0	0	0	0	111.5	I192 F194 V207	I192-T213 CarbonylContact O-C 3.48Å; I192-T213 WeakPolarHBondContact O-CA 3.45Å; F194-T213 HydrophobicContact CE2-CG2 3.97Å; V207-T213 HydrophobicContact CB-CG2 4.4Å; V207-T213 HydrophobicContact CG1-CG2 4.01Å; V207-T213 HydrophobicContact CG2-CG2 4.21Å
214	I	92.4	Very high	84.4	Confident	1 Å²	1	78 Å²	78	1%	0.005	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.3	172.6	-64.4	172.7	0	0	0	107.7	V191 I192 A193 F194 I229 E231 P234 V239 W259	V191-I214 HydrophobicContact CG1-CD1 3.61Å; V191-I214 HydrophobicContact CG1-CG1 3.64Å; I192-I214 PolarHBondContact O-N 3.41Å; A193-I214 CarbonylContact C-O 3.57Å; A193-I214 VanDerWaalsContact CA-O 3.26Å; A193-I214 WeakPolarHBondContact CA-O 3.43Å; A193-I214 HydrophobicContact CB-CB 3.85Å; A193-I214 HydrophobicContact CB-CG2 4.42Å; F194-I214 PolarHBondContact N-O 2.9Å; I214-I229 HydrophobicContact CG2-CG2 3.99Å; I214-E231 WeakPolarHBondContact CA-O 3.45Å; I214-E231 WeakPolarHBondContact CG2-O 3.49Å; I214-P234 HydrophobicContact CD1-CB 3.69Å; I214-V239 HydrophobicContact CD1-CG1 4.1Å; I214-V239 HydrophobicContact CD1-CG2 4.22Å; I214-W259 HydrophobicContact CG2-CZ2 3.9Å
215	V	91.5	Very high	83.2	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.006	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	179.3	-174.1	0	0	0	0	108.7	F194 E200 K230 E231	F194-V215 HydrophobicContact CD2-CG2 4.39Å; E200-V215 HydrophobicContact CB-CG1 4.4Å; E200-V215 HydrophobicContact CB-CG2 4.47Å; E200-V215 HydrophobicContact CG-CG2 3.94Å; E200-V215 VanDerWaalsContact OE1-CG2 3.32Å; E200-V215 WeakPolarHBondContact OE1-CG2 3.11Å; E200-V215 WeakPolarHBondContact OE2-CG1 3.46Å; V215-K230 WeakPolarHBondContact O-CA 3.45Å; V215-K230 WeakPolarHBondContact O-CB 3.3Å; V215-K230 PolarHBondContact O-N 2.67Å; V215-E231 HydrophobicContact CB-CB 4.23Å; V215-E231 HydrophobicContact CG2-CB 4.41Å; V215-E231 PolarHBondContact N-O 3.01Å; V215-E231 PolarHBondContact O-N 3.35Å
216	C	89	Confident	82.2	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	162.2	171.6	-70.8	0	0	0	0	112.2	F194 P195 D196 V227 K228 W259	F194-C216 WeakPolarHBondContact O-CB 3.15Å; F194-C216 PolarHBondContact O-N 2.91Å; P195-C216 VanDerWaalsContact O-CB 3.3Å; P195-C216 WeakPolarHBondContact O-CB 3.45Å; D196-C216 WeakPolarHBondContact CA-O 3.26Å; C216-V227 HydrophobicContact CB-CG1 3.45Å; C216-V227 VanDerWaalsContact CB-CG1 3.45Å; C216-K228 CarbonylContact C-O 3.54Å; C216-K228 VanDerWaalsContact CA-O 3.26Å; C216-K228 WeakPolarHBondContact CA-O 3.37Å; C216-W259 WeakPolarHBondContact SG-CZ2 3.39Å
217	T	86	Confident	81.3	Confident	52 Å²	52	76.6 Å²	76.6	32%	0.319	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134	166.8	-60	0	0	0	0	108.7	K228	T217-K228 PolarHBondContact N-O 2.64Å; T217-K228 PolarHBondContact O-N 2.76Å
218	K	77.3	Confident	80.9	Confident	85 Å²	85	81.1 Å²	81.1	37%	0.37	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.6	172.4	-68.7	168.4	178.8	162.6	0	108.2	D196	D196-K218 HydrophobicContact CB-CD 4.19Å; D196-K218 HydrophobicContact CB-CG 4.45Å; D196-K218 WeakPolarHBondContact OD2-CE 3.5Å; D196-K218 IonicContact OD2-NZ 2.67Å; D196-K218 PolarHBondContact OD2-NZ 3.27Å
219	I	75.5	Confident	80.6	Confident	66 Å²	66	81.2 Å²	81.2	34%	0.338	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.6	170.8	-57.1	-177.8	0	0	0	107.1	Q226 K228	I219-Q226 PolarHBondContact N-O 3.19Å; I219-Q226 PolarHBondContact O-N 3.48Å; I219-K228 HydrophobicContact CD1-CB 4.3Å; I219-K228 HydrophobicContact CD1-CD 3.5Å; I219-K228 HydrophobicContact CD1-CG 3.89Å
220	R	67.8	Low	80.4	Confident	193 Å²	193	78.8 Å²	78.8	73%	0.728	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	120	171.5	-68.1	-175.7	179.1	177.9	0.6	107.9
221	D	67.7	Low	80.5	Confident	110 Å²	110	79.3 Å²	79.3	59%	0.588	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	94.9	172.2	-171.6	13.8	0	0	0	107.9	D223 S224	D221-D223 PolarHBondContact O-N 3.25Å; D221-S224 PolarHBondContact N-O 3.32Å; D221-S224 WeakPolarHBondContact O-CB 3.41Å; D221-S224 PolarHBondContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.81Å
222	G	72.8	Confident	80.4	Confident	71 Å²	71	78.6 Å²	78.6	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-127.6	-167.1	0	0	0	0	0	112.2	S224	G222-S224 VanDerWaalsContact C-N 3.3Å
223	D	67.8	Low	80.1	Confident	175 Å²	175	78.3 Å²	78.3	94%	0.936	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12	174.5	-76.4	-23.8	0	0	0	113.4	D221	D221-D223 PolarHBondContact O-N 3.25Å
224	S	65.9	Low	79.7	Confident	50 Å²	50	76.5 Å²	76.5	35%	0.35	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.9	179	81.6	0	0	0	0	110.9	D221 G222	D221-S224 PolarHBondContact N-O 3.32Å; D221-S224 WeakPolarHBondContact O-CB 3.41Å; D221-S224 PolarHBondContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.81Å; G222-S224 VanDerWaalsContact C-N 3.3Å
225	R	65.7	Low	79.3	Confident	160 Å²	160	83.5 Å²	83.5	60%	0.604	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.4	173.2	-63.8	-179	-174	179.1	2.9	107.3
226	Q	72.1	Confident	78.9	Confident	86 Å²	86	90.2 Å²	90.2	40%	0.402	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.2	175	-64.2	-177.7	17.9	0	0	109.4	I219	I219-Q226 PolarHBondContact N-O 3.19Å; I219-Q226 PolarHBondContact O-N 3.48Å
227	V	74	Confident	78.7	Confident	12 Å²	12	93 Å²	93	7%	0.073	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.4	173.6	-178.1	0	0	0	0	107.7	C216 E254 A255 V258	C216-V227 HydrophobicContact CB-CG1 3.45Å; C216-V227 VanDerWaalsContact CB-CG1 3.45Å; V227-E254 HydrophobicContact CB-CB 4.27Å; V227-E254 HydrophobicContact CG2-CB 3.67Å; V227-A255 HydrophobicContact CG1-CB 4.42Å; V227-V258 WeakPolarHBondContact O-CG2 3.43Å
228	K	82.9	Confident	78.8	Confident	111 Å²	111	93.7 Å²	93.7	48%	0.483	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.1	172.8	-66.2	-164.3	-170.9	168.8	0	110.1	C216 T217 I219 K230	C216-K228 CarbonylContact C-O 3.54Å; C216-K228 VanDerWaalsContact CA-O 3.26Å; C216-K228 WeakPolarHBondContact CA-O 3.37Å; T217-K228 PolarHBondContact N-O 2.64Å; T217-K228 PolarHBondContact O-N 2.76Å; I219-K228 HydrophobicContact CD1-CB 4.3Å; I219-K228 HydrophobicContact CD1-CD 3.5Å; I219-K228 HydrophobicContact CD1-CG 3.89Å; K228-K230 PolarHBondContact O-N 2.61Å
229	I	86	Confident	79.2	Confident	59 Å²	59	89.8 Å²	89.8	30%	0.303	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123	173.2	-53	-177.5	0	0	0	107.9	I214 E231 P234 V258	I214-I229 HydrophobicContact CG2-CG2 3.99Å; I229-E231 WeakPolarHBondContact CG2-O 3.25Å; I229-P234 VanDerWaalsContact CD1-CD 3.43Å; I229-P234 HydrophobicContact CD1-CG 3.43Å; I229-P234 VanDerWaalsContact CD1-CG 3.43Å; I229-V258 HydrophobicContact CD1-CG1 3.8Å; I229-V258 HydrophobicContact CG1-CG1 3.79Å
230	K	88.1	Confident	79.8	Confident	119 Å²	119	86.8 Å²	86.8	52%	0.517	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-46.5	174.6	-170.9	-169.5	172.9	-119.9	0	110	V215 K228	V215-K230 WeakPolarHBondContact O-CA 3.45Å; V215-K230 WeakPolarHBondContact O-CB 3.3Å; V215-K230 PolarHBondContact O-N 2.67Å; K228-K230 PolarHBondContact O-N 2.61Å
231	E	90.2	Very high	80.7	Confident	95 Å²	95	78 Å²	78	44%	0.444	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.9	-175.1	-65.5	172.5	-146.3	0	0	110.6	I214 V215 I229	I214-E231 WeakPolarHBondContact CA-O 3.45Å; I214-E231 WeakPolarHBondContact CG2-O 3.49Å; V215-E231 HydrophobicContact CB-CB 4.23Å; V215-E231 HydrophobicContact CG2-CB 4.41Å; V215-E231 PolarHBondContact N-O 3.01Å; V215-E231 PolarHBondContact O-N 3.35Å; I229-E231 WeakPolarHBondContact CG2-O 3.25Å
232	G	89.4	Confident	81.6	Confident	50 Å²	50	73 Å²	73	52%	0.515	38%	0.383	S	S	.	.	S	Bend	trans	87.5	175.1	-178.2	0	0	0	0	0	114.4
233	N	87.2	Confident	82	Confident	92 Å²	92	71.4 Å²	71.4	49%	0.492	36%	0.358	S	S	.	.			trans	-138.7	115.8	-179.6	-178.4	3.3	0	0	0	110.3	K235 K237	N233-K235 WeakPolarHBondContact OD1-CB 3.31Å; N233-K235 PolarHBondContact OD1-N 3.26Å; N233-K237 WeakPolarHBondContact O-CD 3.43Å; N233-K237 VanDerWaalsContact O-CE 3.27Å; N233-K237 WeakPolarHBondContact O-CE 3.32Å; N233-K237 PolarHBondContact O-NZ 3.26Å
234	P	84.7	Confident	82.5	Confident	19 Å²	19	65 Å²	65	12%	0.123	32%	0.324	C	S	.	.			trans	-83.7	-9.3	-179.3	33.9	-37.1	0	0	0	113.3	I214 I229 N236 K237 V239 W259	I214-P234 HydrophobicContact CD1-CB 3.69Å; I229-P234 VanDerWaalsContact CD1-CD 3.43Å; I229-P234 HydrophobicContact CD1-CG 3.43Å; I229-P234 VanDerWaalsContact CD1-CG 3.43Å; P234-N236 PolarHBondContact O-N 3.01Å; P234-K237 PolarHBondContact O-N 2.82Å; P234-K237 VanDerWaalsContact O-N 3.13Å; P234-V239 HydrophobicContact CB-CG2 3.92Å; P234-W259 HydrophobicContact CB-CB 4.47Å; P234-W259 HydrophobicContact CB-CD2 4.45Å; P234-W259 HydrophobicContact CB-CG 4.01Å; P234-W259 HydrophobicContact CG-CG 4.34Å
235	K	83.3	Confident	82.7	Confident	148 Å²	148	64.9 Å²	64.9	64%	0.643	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124.9	-171.3	-173.3	178.9	179.5	-178.4	0	110.7	N233 K237	N233-K235 WeakPolarHBondContact OD1-CB 3.31Å; N233-K235 PolarHBondContact OD1-N 3.26Å; K235-K237 VanDerWaalsContact C-N 3.25Å; K235-K237 PolarHBondContact O-N 3.22Å
236	N	83	Confident	82.8	Confident	141 Å²	141	59.8 Å²	59.8	75%	0.754	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	28.6	179.8	-55.3	-21.5	0	0	0	114.4	P234	P234-N236 PolarHBondContact O-N 3.01Å
237	K	85.5	Confident	82.2	Confident	60 Å²	60	64 Å²	64	26%	0.261	33%	0.325	S	S	.	.	S	Bend	trans	-118.8	152.8	176.3	-54.8	-169	-169.7	159.2	0	110.5	V191 Q212 N233 P234 K235 V239	V191-K237 HydrophobicContact CB-CD 4.46Å; V191-K237 HydrophobicContact CG2-CB 4.02Å; V191-K237 HydrophobicContact CG2-CD 3.47Å; V191-K237 VanDerWaalsContact CG2-CD 3.47Å; V191-K237 HydrophobicContact CG2-CG 4.32Å; Q212-K237 VanDerWaalsContact OE1-CE 3.26Å; N233-K237 WeakPolarHBondContact O-CD 3.43Å; N233-K237 VanDerWaalsContact O-CE 3.27Å; N233-K237 WeakPolarHBondContact O-CE 3.32Å; N233-K237 PolarHBondContact O-NZ 3.26Å; P234-K237 PolarHBondContact O-N 2.82Å; P234-K237 VanDerWaalsContact O-N 3.13Å; K235-K237 VanDerWaalsContact C-N 3.25Å; K235-K237 PolarHBondContact O-N 3.22Å; K237-V239 HydrophobicContact CB-CG2 4.23Å
238	H	86.9	Confident	81.2	Confident	65 Å²	65	68 Å²	68	30%	0.301	35%	0.354	S	S	.	.			trans	-82.7	118.7	166.5	-178.5	-147.4	0	0	0	108.2	D187 V191 S262	D187-H238 WeakPolarHBondContact OD2-CB 3.22Å; D187-H238 IonicContact OD2-CE1 3.81Å; D187-H238 IonicContact OD2-CG 3.44Å; D187-H238 IonicContact OD2-ND1 2.69Å; D187-H238 PolarHBondContact OD2-ND1 2.91Å; V191-H238 PolarHBondContact N-O 2.85Å; H238-S262 PolarHBondContact CD2-OG 3.47Å; H238-S262 VanDerWaalsContact CD2-OG 3.28Å
239	V	87	Confident	80	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.4	-169.5	-168.2	0	0	0	0	110.5	V191 A193 I214 P234 K237 W259	V191-V239 CarbonylContact O-C 3.57Å; V191-V239 WeakPolarHBondContact O-CA 3.49Å; A193-V239 HydrophobicContact CB-CG1 3.39Å; I214-V239 HydrophobicContact CD1-CG1 4.1Å; I214-V239 HydrophobicContact CD1-CG2 4.22Å; P234-V239 HydrophobicContact CB-CG2 3.92Å; K237-V239 HydrophobicContact CB-CG2 4.23Å; V239-W259 HydrophobicContact CB-CE3 3.69Å; V239-W259 HydrophobicContact CB-CZ3 4.06Å; V239-W259 HydrophobicContact CG1-CD2 4.12Å; V239-W259 HydrophobicContact CG1-CE3 3.27Å; V239-W259 HydrophobicContact CG1-CH2 3.99Å; V239-W259 HydrophobicContact CG1-CZ3 3.17Å; V239-W259 HydrophobicContact CG2-CE3 4.41Å
240	V	88.1	Confident	78.6	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.5	179.6	-175.6	0	0	0	0	109.3	I183 A190 V191 I192 A193	I183-V240 HydrophobicContact CD1-CG1 3.75Å; I183-V240 HydrophobicContact CG1-CG1 4.39Å; I183-V240 HydrophobicContact CG2-CG2 4.04Å; A190-V240 HydrophobicContact CB-CG2 4.39Å; V191-V240 PolarHBondContact O-N 3.2Å; I192-V240 CarbonylContact C-O 3.56Å; I192-V240 HydrophobicContact CD1-CB 4.22Å; A193-V240 PolarHBondContact N-O 3.2Å
241	I	86.8	Confident	77.2	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.7	177.8	-59.3	167.1	0	0	0	109.1	A193 P195 L252 A255 W259 A263	A193-I241 WeakPolarHBondContact O-CA 3.35Å; P195-I241 HydrophobicContact CG-CG2 4.35Å; I241-L252 HydrophobicContact CB-CD2 4.18Å; I241-L252 HydrophobicContact CD1-CD2 3.98Å; I241-L252 HydrophobicContact CG2-CD2 3.54Å; I241-A255 HydrophobicContact CD1-CB 3.79Å; I241-W259 HydrophobicContact CD1-CE3 4.38Å; I241-W259 HydrophobicContact CD1-CH2 4.45Å; I241-W259 HydrophobicContact CD1-CZ3 3.87Å; I241-W259 HydrophobicContact CG1-CE3 4.16Å; I241-W259 HydrophobicContact CG1-CH2 3.88Å; I241-W259 HydrophobicContact CG1-CZ3 3.29Å; I241-A263 HydrophobicContact CD1-CB 4.35Å
242	V	85.6	Confident	76	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.03	31%	0.308	C	S	.	.			trans	-117.8	119.9	174.3	179.2	0	0	0	0	109	V176 M180 I192 A193 F194 P195 F203	V176-V242 HydrophobicContact CG1-CG1 4.09Å; V176-V242 HydrophobicContact CG2-CG1 4.32Å; M180-V242 HydrophobicContact CE-CB 4.44Å; M180-V242 HydrophobicContact CE-CG1 4.21Å; M180-V242 HydrophobicContact CE-CG2 3.83Å; I192-V242 HydrophobicContact CG2-CB 4.3Å; I192-V242 HydrophobicContact CG2-CG2 3.84Å; A193-V242 PolarHBondContact O-N 3.22Å; F194-V242 HydrophobicContact CE1-CB 4.27Å; P195-V242 WeakPolarHBondContact CD-O 3.32Å; F203-V242 HydrophobicContact CB-CG1 4.18Å; F203-V242 HydrophobicContact CD2-CG1 4.06Å; F203-V242 HydrophobicContact CG-CG1 4.14Å
243	D	82.5	Confident	75	Confident	39 Å²	39	57.5 Å²	57.5	21%	0.209	31%	0.312	C	S	.	.			trans	-144.8	162.4	176.1	-150.4	1.7	0	0	0	109.6	P195 R202	P195-D243 HydrophobicContact CG-CB 3.81Å; P195-D243 WeakPolarHBondContact CG-OD2 3.48Å; R202-D243 IonicContact NH2-OD1 2.74Å; R202-D243 PolarHBondContact NH2-OD1 3.36Å
244	D	76.8	Confident	73.9	Confident	40 Å²	40	55.6 Å²	55.6	21%	0.214	30%	0.3	C	S	.	.	S	Bend	trans	-78.3	-35.2	178.2	64.3	-42.2	0	0	0	112.5	H156 R202 F203	H156-D244 IonicContact CE1-OD2 2.73Å; H156-D244 IonicContact CG-OD2 3.78Å; H156-D244 IonicContact ND1-OD2 3.63Å; H156-D244 PolarHBondContact ND1-OD2 3.44Å; R202-D244 IonicContact CZ-OD1 3.77Å; R202-D244 IonicContact CZ-OD2 3.37Å; R202-D244 IonicContact NH1-OD1 3.69Å; R202-D244 PolarHBondContact NH1-OD1 2.76Å; R202-D244 IonicContact NH1-OD2 3.94Å; R202-D244 PolarHBondContact NH1-OD2 3.02Å; R202-D244 IonicContact NH2-OD1 3.58Å; R202-D244 PolarHBondContact NH2-OD1 3.46Å; R202-D244 IonicContact NH2-OD2 3.56Å; F203-D244 HydrophobicContact CE2-CB 4.12Å; F203-D244 HydrophobicContact CZ-CB 3.89Å
245	L	71.5	Confident	72.7	Confident	48 Å²	48	54.7 Å²	54.7	25%	0.251	29%	0.294	S	S	.	.			trans	-142.9	133.1	-173.2	-175.3	66.1	0	0	0	112.6	Y112 T117 Q247	Y112-L245 HydrophobicContact CD2-CD1 4.35Å; Y112-L245 HydrophobicContact CE2-CD1 3.61Å; Y112-L245 HydrophobicContact CE2-CD2 4.25Å; Y112-L245 HydrophobicContact CE2-CG 4.46Å; Y112-L245 WeakPolarHBondContact OH-CD2 3.42Å; T117-L245 HydrophobicContact CG2-CD2 4.2Å; L245-Q247 HydrophobicContact CD2-CB 4.5Å
246	V	66.9	Low	71.8	Confident	53 Å²	53	49 Å²	49	32%	0.321	28%	0.278	S	S	.	.			trans	-109.1	101.2	166.9	178.6	0	0	0	0	109	L252	V246-L252 HydrophobicContact CB-CD1 3.99Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CG 4.47Å; V246-L252 HydrophobicContact CG2-CD1 3.25Å; V246-L252 HydrophobicContact CG2-CG 4.18Å
247	Q	59.8	Low	70.9	Confident	174 Å²	174	49.1 Å²	49.1	81%	0.813	27%	0.271	S	S	*	.	S	Bend	trans	-88.7	-64.9	-179.4	-169.7	179.9	-2.6	0	0	112.7	L245	L245-Q247 HydrophobicContact CD2-CB 4.5Å
248	S	52.7	Low	69.7	Low	97 Å²	97	49.2 Å²	49.2	68%	0.678	28%	0.277	S	S	*	.	S	Bend	trans	-100.5	-5.5	-179.8	63.5	0	0	0	0	113.6	G250	S248-G250 PolarHBondContact O-N 2.96Å; S248-G250 PolarHBondContact OG-N 3.17Å
249	G	58.5	Low	68.4	Low	18 Å²	18	46.9 Å²	46.9	19%	0.186	27%	0.265	C	S	.	.	S	Bend	trans	67.7	-8.3	-166.6	0	0	0	0	0	114.4	T251 L252 L253	G249-T251 PolarHBondContact O-N 2.72Å; G249-L252 WeakPolarHBondContact O-CB 3.26Å; G249-L252 PolarHBondContact O-N 2.96Å; G249-L253 WeakPolarHBondContact O-CG 3.34Å; G249-L253 PolarHBondContact O-N 3.05Å
250	G	57	Low	66.6	Low	28 Å²	28	56.5 Å²	56.5	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-58.2	-46.6	-173.9	0	0	0	0	0	113.4	S248 L252 L253 E254	S248-G250 PolarHBondContact O-N 2.96Å; S248-G250 PolarHBondContact OG-N 3.17Å; G250-L252 VanDerWaalsContact C-N 3.27Å; G250-L252 PolarHBondContact O-N 2.96Å; G250-L253 PolarHBondContact O-N 3.15Å; G250-E254 WeakPolarHBondContact O-CG 3.37Å; G250-E254 PolarHBondContact O-N 3.29Å
251	T	58.5	Low	64.2	Low	36 Å²	36	61.5 Å²	61.5	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-41.3	174.9	-57.4	0	0	0	0	112.1	P195 G249 A255	P195-T251 HydrophobicContact CB-CG2 3.68Å; G249-T251 PolarHBondContact O-N 2.72Å; T251-A255 WeakPolarHBondContact O-CB 3.35Å; T251-A255 PolarHBondContact O-N 3.44Å
252	L	64.5	Low	61.9	Low	15 Å²	15	64.4 Å²	64.4	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-73.5	-38.9	-178.7	-63.1	178.3	0	0	0	112.2	I241 V246 G249 G250 E254 A255 G256 F265	I241-L252 HydrophobicContact CB-CD2 4.18Å; I241-L252 HydrophobicContact CD1-CD2 3.98Å; I241-L252 HydrophobicContact CG2-CD2 3.54Å; V246-L252 HydrophobicContact CB-CD1 3.99Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CG 4.47Å; V246-L252 HydrophobicContact CG2-CD1 3.25Å; V246-L252 HydrophobicContact CG2-CG 4.18Å; G249-L252 WeakPolarHBondContact O-CB 3.26Å; G249-L252 PolarHBondContact O-N 2.96Å; G250-L252 VanDerWaalsContact C-N 3.27Å; G250-L252 PolarHBondContact O-N 2.96Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-A255 PolarHBondContact O-N 3.22Å; L252-G256 PolarHBondContact O-N 3.22Å; L252-F265 HydrophobicContact CB-CE1 3.88Å; L252-F265 HydrophobicContact CB-CZ 4.15Å; L252-F265 HydrophobicContact CD1-CD1 3.47Å; L252-F265 VanDerWaalsContact CD1-CD1 3.47Å; L252-F265 HydrophobicContact CD1-CE1 3.19Å; L252-F265 HydrophobicContact CD1-CG 4.47Å; L252-F265 HydrophobicContact CD1-CZ 3.98Å; L252-F265 HydrophobicContact CD2-CD1 4.47Å; L252-F265 HydrophobicContact CD2-CE1 3.88Å; L252-F265 HydrophobicContact CG-CD1 4.47Å; L252-F265 HydrophobicContact CG-CE1 3.84Å
253	L	67.7	Low	59.7	Low	115 Å²	115	66.2 Å²	66.2	60%	0.602	37%	0.37	S	S	*	.	H	α-helix	trans	-63.3	-42.5	174.6	-72.5	172.3	0	0	0	110.4	G249 G250 G256 K257	G249-L253 WeakPolarHBondContact O-CG 3.34Å; G249-L253 PolarHBondContact O-N 3.05Å; G250-L253 PolarHBondContact O-N 3.15Å; L253-G256 PolarHBondContact O-N 3.29Å; L253-K257 VanDerWaalsContact O-CG 3.27Å; L253-K257 WeakPolarHBondContact O-CG 3.03Å; L253-K257 PolarHBondContact O-N 2.75Å
254	E	64.9	Low	57.6	Low	53 Å²	53	69.5 Å²	69.5	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-42.8	175.4	-67.6	-54	130.2	0	0	111.8	V227 G250 L252 G256 K257 V258	V227-E254 HydrophobicContact CB-CB 4.27Å; V227-E254 HydrophobicContact CG2-CB 3.67Å; G250-E254 WeakPolarHBondContact O-CG 3.37Å; G250-E254 PolarHBondContact O-N 3.29Å; L252-E254 VanDerWaalsContact C-N 3.33Å; E254-G256 PolarHBondContact O-N 3.03Å; E254-K257 PolarHBondContact O-N 3.4Å; E254-K257 IonicContact OE1-NZ 2.69Å; E254-K257 PolarHBondContact OE1-NZ 2.83Å; E254-V258 WeakPolarHBondContact O-CG2 3.45Å; E254-V258 PolarHBondContact O-N 3.49Å
255	A	58.4	Low	55.8	Low	0 Å²	0	72 Å²	72	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-60.8	-43.6	173.2	0	0	0	0	0	112	V227 I241 T251 L252 K257 V258 W259	V227-A255 HydrophobicContact CG1-CB 4.42Å; I241-A255 HydrophobicContact CD1-CB 3.79Å; T251-A255 WeakPolarHBondContact O-CB 3.35Å; T251-A255 PolarHBondContact O-N 3.44Å; L252-A255 PolarHBondContact O-N 3.22Å; A255-K257 PolarHBondContact O-N 3.31Å; A255-V258 WeakPolarHBondContact O-CB 3.23Å; A255-V258 PolarHBondContact O-N 2.96Å; A255-W259 VanDerWaalsContact O-CG 3.32Å; A255-W259 PolarHBondContact O-N 2.89Å
256	G	65.2	Low	53.9	Low	29 Å²	29	72.8 Å²	72.8	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-30.7	176.1	0	0	0	0	0	113.6	L252 L253 E254 V258 W259	L252-G256 PolarHBondContact O-N 3.22Å; L253-G256 PolarHBondContact O-N 3.29Å; E254-G256 PolarHBondContact O-N 3.03Å; G256-V258 VanDerWaalsContact C-N 3.31Å; G256-V258 PolarHBondContact O-N 3.11Å; G256-W259 CarbonylContact O-C 3.17Å; G256-W259 PolarHBondContact O-N 2.83Å; G256-W259 VanDerWaalsContact O-N 3.14Å
257	K	64.8	Low	52.2	Low	142 Å²	142	76 Å²	76	62%	0.617	41%	0.411	S	S	*	.	H	α-helix	trans	-65.9	-36.8	172.5	-78	171.3	-173.2	174.3	0	111.9	L253 E254 A255 W259	L253-K257 VanDerWaalsContact O-CG 3.27Å; L253-K257 WeakPolarHBondContact O-CG 3.03Å; L253-K257 PolarHBondContact O-N 2.75Å; E254-K257 PolarHBondContact O-N 3.4Å; E254-K257 IonicContact OE1-NZ 2.69Å; E254-K257 PolarHBondContact OE1-NZ 2.83Å; A255-K257 PolarHBondContact O-N 3.31Å; K257-W259 PolarHBondContact O-N 3.18Å
258	V	59.4	Low	51.1	Low	63 Å²	63	77.5 Å²	77.5	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-28.3	175	-175	0	0	0	0	110.1	V227 I229 E254 A255 G256	V227-V258 WeakPolarHBondContact O-CG2 3.43Å; I229-V258 HydrophobicContact CD1-CG1 3.8Å; I229-V258 HydrophobicContact CG1-CG1 3.79Å; E254-V258 WeakPolarHBondContact O-CG2 3.45Å; E254-V258 PolarHBondContact O-N 3.49Å; A255-V258 WeakPolarHBondContact O-CB 3.23Å; A255-V258 PolarHBondContact O-N 2.96Å; G256-V258 VanDerWaalsContact C-N 3.31Å; G256-V258 PolarHBondContact O-N 3.11Å
259	W	59.4	Low	51	Low	15 Å²	15	76.5 Å²	76.5	6%	0.057	40%	0.404	C	S	.	.	S	Bend	trans	-117.7	92.6	-173.6	-47.6	-15.9	0	0	0	110.9	A193 I214 C216 P234 V239 I241 A255 G256 K257 L261	A193-W259 HydrophobicContact CB-CE3 4.45Å; A193-W259 HydrophobicContact CB-CH2 2.99Å; A193-W259 HydrophobicContact CB-CZ2 3.88Å; A193-W259 HydrophobicContact CB-CZ3 3.3Å; I214-W259 HydrophobicContact CG2-CZ2 3.9Å; C216-W259 WeakPolarHBondContact SG-CZ2 3.39Å; P234-W259 HydrophobicContact CB-CB 4.47Å; P234-W259 HydrophobicContact CB-CD2 4.45Å; P234-W259 HydrophobicContact CB-CG 4.01Å; P234-W259 HydrophobicContact CG-CG 4.34Å; V239-W259 HydrophobicContact CB-CE3 3.69Å; V239-W259 HydrophobicContact CB-CZ3 4.06Å; V239-W259 HydrophobicContact CG1-CD2 4.12Å; V239-W259 HydrophobicContact CG1-CE3 3.27Å; V239-W259 HydrophobicContact CG1-CH2 3.99Å; V239-W259 HydrophobicContact CG1-CZ3 3.17Å; V239-W259 HydrophobicContact CG2-CE3 4.41Å; I241-W259 HydrophobicContact CD1-CE3 4.38Å; I241-W259 HydrophobicContact CD1-CH2 4.45Å; I241-W259 HydrophobicContact CD1-CZ3 3.87Å; I241-W259 HydrophobicContact CG1-CE3 4.16Å; I241-W259 HydrophobicContact CG1-CH2 3.88Å; I241-W259 HydrophobicContact CG1-CZ3 3.29Å; A255-W259 VanDerWaalsContact O-CG 3.32Å; A255-W259 PolarHBondContact O-N 2.89Å; G256-W259 CarbonylContact O-C 3.17Å; G256-W259 PolarHBondContact O-N 2.83Å; G256-W259 VanDerWaalsContact O-N 3.14Å; K257-W259 PolarHBondContact O-N 3.18Å; W259-L261 PolarHBondContact O-N 2.91Å
260	K	49	Very low	50.6	Low	206 Å²	206	79.6 Å²	79.6	90%	0.896	42%	0.416	S	S	*	.			trans	-54.2	6.6	-175.5	-84.2	-172.3	174.3	-176.5	0	117.9
261	L	38.4	Very low	50.2	Low	108 Å²	108	82.4 Å²	82.4	57%	0.565	42%	0.423	S	S	*	.	S	Bend	trans	-146.9	120.2	-173.3	-79.8	155.9	0	0	0	113	W259	W259-L261 PolarHBondContact O-N 2.91Å
262	S	37.9	Very low	49.8	Very low	69 Å²	69	85.2 Å²	85.2	48%	0.483	44%	0.435	S	S	.	.			trans	43.1	101.4	158.3	40.4	0	0	0	0	118.5	H238	H238-S262 PolarHBondContact CD2-OG 3.47Å; H238-S262 VanDerWaalsContact CD2-OG 3.28Å
263	A	39.4	Very low	48.8	Very low	43 Å²	43	89.6 Å²	89.6	36%	0.355	46%	0.457	S	S	.	.			trans	-100.3	132.3	165	0	0	0	0	0	110.2	I241 F265	I241-A263 HydrophobicContact CD1-CB 4.35Å; A263-F265 HydrophobicContact CB-CE1 4Å; A263-F265 HydrophobicContact CB-CE2 3.93Å; A263-F265 HydrophobicContact CB-CZ 3.49Å; A263-F265 VanDerWaalsContact CB-CZ 3.49Å
264	F	38.6	Very low	47.6	Very low	108 Å²	108	87.9 Å²	87.9	47%	0.474	45%	0.447	S	S	.	.			trans	-105	133	169.4	-159.9	-97.4	0	0	0	108.6
265	F	39.8	Very low	46.4	Very low	92 Å²	92	90.4 Å²	90.4	40%	0.404	46%	0.462	S	S	.	.			trans	-113.8	135.9	-173.8	-61	-67.8	0	0	0	111.2	L252 A263	L252-F265 HydrophobicContact CB-CE1 3.88Å; L252-F265 HydrophobicContact CB-CZ 4.15Å; L252-F265 HydrophobicContact CD1-CD1 3.47Å; L252-F265 VanDerWaalsContact CD1-CD1 3.47Å; L252-F265 HydrophobicContact CD1-CE1 3.19Å; L252-F265 HydrophobicContact CD1-CG 4.47Å; L252-F265 HydrophobicContact CD1-CZ 3.98Å; L252-F265 HydrophobicContact CD2-CD1 4.47Å; L252-F265 HydrophobicContact CD2-CE1 3.88Å; L252-F265 HydrophobicContact CG-CD1 4.47Å; L252-F265 HydrophobicContact CG-CE1 3.84Å; A263-F265 HydrophobicContact CB-CE1 4Å; A263-F265 HydrophobicContact CB-CE2 3.93Å; A263-F265 HydrophobicContact CB-CZ 3.49Å; A263-F265 VanDerWaalsContact CB-CZ 3.49Å
266	L	32.3	Very low	45.4	Very low	65 Å²	65	97.3 Å²	97.3	34%	0.34	50%	0.497	S	S	.	.			trans	-96.7	89.2	170.4	-64	161.8	0	0	0	106.9	F179	F179-L266 HydrophobicContact CB-CD1 3.45Å; F179-L266 VanDerWaalsContact CB-CD1 3.45Å; F179-L266 HydrophobicContact CB-CD2 4.18Å; F179-L266 HydrophobicContact CB-CG 4.41Å; F179-L266 HydrophobicContact CD1-CD1 4.08Å; F179-L266 HydrophobicContact CD1-CD2 3.22Å; F179-L266 HydrophobicContact CD1-CG 4.2Å; F179-L266 HydrophobicContact CD2-CB 4.42Å; F179-L266 HydrophobicContact CD2-CD1 3.45Å; F179-L266 VanDerWaalsContact CD2-CD1 3.45Å; F179-L266 HydrophobicContact CD2-CD2 3.92Å; F179-L266 HydrophobicContact CD2-CG 4.09Å; F179-L266 HydrophobicContact CE1-CD2 3.34Å; F179-L266 HydrophobicContact CE1-CG 4.45Å; F179-L266 HydrophobicContact CE2-CB 4.22Å; F179-L266 HydrophobicContact CE2-CD1 4.09Å; F179-L266 HydrophobicContact CE2-CD2 3.96Å; F179-L266 HydrophobicContact CE2-CG 4.28Å; F179-L266 HydrophobicContact CG-CD1 3.4Å; F179-L266 VanDerWaalsContact CG-CD1 3.4Å; F179-L266 HydrophobicContact CG-CD2 3.52Å; F179-L266 HydrophobicContact CG-CG 4Å; F179-L266 HydrophobicContact CZ-CB 4.47Å; F179-L266 HydrophobicContact CZ-CD2 3.67Å; F179-L266 HydrophobicContact CZ-CG 4.44Å
267	N	30.8	Very low	43.8	Very low	120 Å²	120	103 Å²	103	64%	0.642	51%	0.514	S	S	*	.			trans	-93.3	127.8	166.6	-85.8	-19.2	0	0	0	108.3
268	H	35.7	Very low	41.9	Very low	205 Å²	205	99.5 Å²	99.5	95%	0.949	50%	0.504	S	S	*	.			trans	-113.3	0	158.7	-74.5	-34.9	0	0	0	108.9	F179	F179-H268 AromaticContact CE2-NE2 3.78Å; F179-H268 AromaticContact CZ-CE1 3.71Å; F179-H268 AromaticContact CZ-NE2 3.27Å; F179-H268 VanDerWaalsContact CZ-NE2 3.27Å; F179-H268 WeakPolarHBondContact CZ-NE2 3.21Å

Retrieved 268 of 268 residues in 287.9 ms (Link to these results)

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