A0A087YFZ6_POEFO Loading...

Mitochondrial inner membrane protease subunit

AlphaFold DB , UniProt , Accession A0A087YFZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 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	61	Low	65.9	Low	213 Å²	213	122.2 Å²	122.2	100%	1.049	61%	0.61	S	S	*	*				0	-51.3	0	-148.1	169.3	-174.8	0	0	112.6	R3 H4 M5	M1-R3 PolarHBondContact O-N 3.31Å; M1-H4 PolarHBondContact O-N 3.09Å; M1-M5 PolarHBondContact O-N 2.97Å
2	F	60.6	Low	67.4	Low	164 Å²	164	121.8 Å²	121.8	72%	0.719	61%	0.611	S	S	*	*	H	α-helix	trans	-59.7	-45	-176.9	-156.1	-100	0	0	0	115.2	H4 M5 L6	F2-H4 PolarHBondContact O-N 3.04Å; F2-M5 PolarHBondContact O-N 3.48Å; F2-L6 HydrophobicContact CE1-CD1 4.2Å; F2-L6 PolarHBondContact O-N 2.99Å
3	R	59.3	Low	69	Low	232 Å²	232	120 Å²	120	88%	0.875	60%	0.603	S	S	*	*	H	α-helix	trans	-63.6	-26.5	178.4	-59.3	-179.2	94.1	177.7	6	113.6	M1 G7	M1-R3 PolarHBondContact O-N 3.31Å; R3-G7 PolarHBondContact O-N 3.24Å
4	H	59.6	Low	70.5	Confident	131 Å²	131	114.2 Å²	114.2	61%	0.606	59%	0.589	S	S	*	*	H	α-helix	trans	-82.6	-32.3	178.6	-160.3	76.3	0	0	0	111.8	M1 F2 K8	M1-H4 PolarHBondContact O-N 3.09Å; F2-H4 PolarHBondContact O-N 3.04Å; H4-K8 WeakPolarHBondContact NE2-CE 3.45Å; H4-K8 WeakPolarHBondContact O-CG 3.49Å; H4-K8 PolarHBondContact O-N 3.24Å
5	M	60.4	Low	71.9	Confident	116 Å²	116	115.9 Å²	115.9	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-40.2	169.6	-76.3	-118.3	65.1	0	0	111.8	M1 F2 G7 K8 T9	M1-M5 PolarHBondContact O-N 2.97Å; F2-M5 PolarHBondContact O-N 3.48Å; M5-G7 PolarHBondContact O-N 3.41Å; M5-K8 PolarHBondContact O-N 3.23Å; M5-T9 WeakPolarHBondContact O-CG2 3.45Å; M5-T9 PolarHBondContact O-N 3.46Å; M5-T9 PolarHBondContact O-OG1 3.03Å
6	L	64.8	Low	73.2	Confident	89 Å²	89	113.6 Å²	113.6	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-37.5	179.4	-143.6	80.8	0	0	0	113	F2 T9 L10	F2-L6 HydrophobicContact CE1-CD1 4.2Å; F2-L6 PolarHBondContact O-N 2.99Å; L6-T9 WeakPolarHBondContact CA-OG1 3.46Å; L6-T9 PolarHBondContact O-OG1 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 WeakPolarHBondContact O-CD1 3.32Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.21Å; L6-L10 VanDerWaalsContact O-N 3.09Å
7	G	65.6	Low	74.6	Confident	44 Å²	44	113 Å²	113	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-67.5	-36.7	174.8	0	0	0	0	0	112.9	R3 M5 G11	R3-G7 PolarHBondContact O-N 3.24Å; M5-G7 PolarHBondContact O-N 3.41Å; G7-G11 PolarHBondContact O-N 3.25Å
8	K	68.2	Low	75.7	Confident	136 Å²	136	112.6 Å²	112.6	59%	0.591	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-38.1	176.6	-71.9	-178.4	178.8	-176	0	112.3	H4 M5 L12	H4-K8 WeakPolarHBondContact NE2-CE 3.45Å; H4-K8 WeakPolarHBondContact O-CG 3.49Å; H4-K8 PolarHBondContact O-N 3.24Å; M5-K8 PolarHBondContact O-N 3.23Å; K8-L12 PolarHBondContact O-N 3.25Å; K8-L12 VanDerWaalsContact O-N 3.08Å
9	T	73.7	Confident	76.7	Confident	77 Å²	77	114.7 Å²	114.7	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-71.8	-38.6	177.7	57.6	0	0	0	0	112.5	M5 L6 L12 L13	M5-T9 WeakPolarHBondContact O-CG2 3.45Å; M5-T9 PolarHBondContact O-N 3.46Å; M5-T9 PolarHBondContact O-OG1 3.03Å; L6-T9 WeakPolarHBondContact CA-OG1 3.46Å; L6-T9 PolarHBondContact O-OG1 3.47Å; T9-L12 PolarHBondContact O-N 3.25Å; T9-L13 PolarHBondContact O-N 3.46Å; T9-L13 VanDerWaalsContact O-N 3.1Å
10	L	76.6	Confident	77.6	Confident	110 Å²	110	111.1 Å²	111.1	58%	0.576	57%	0.566	S	S	*	*	H	α-helix	trans	-65.6	-38.7	173.2	-75	166.1	0	0	0	112.3	L6 L13 G14	L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 WeakPolarHBondContact O-CD1 3.32Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.21Å; L6-L10 VanDerWaalsContact O-N 3.09Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-G14 PolarHBondContact O-N 3.1Å
11	G	75.2	Confident	78.4	Confident	32 Å²	32	109.3 Å²	109.3	33%	0.33	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-43.8	173.9	0	0	0	0	0	112.7	G7 L13 G14 Y15	G7-G11 PolarHBondContact O-N 3.25Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.09Å; G11-G14 PolarHBondContact O-N 3.42Å; G11-Y15 WeakPolarHBondContact O-CD2 3.07Å; G11-Y15 PolarHBondContact O-N 3.34Å; G11-Y15 VanDerWaalsContact O-N 3.09Å
12	L	83.8	Confident	80	Confident	118 Å²	118	103.6 Å²	103.6	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-60.1	-44.6	175.9	-175.3	66.8	0	0	0	111.6	K8 T9 G14 Y15 T16	K8-L12 PolarHBondContact O-N 3.25Å; K8-L12 VanDerWaalsContact O-N 3.08Å; T9-L12 PolarHBondContact O-N 3.25Å; L12-G14 VanDerWaalsContact C-N 3.33Å; L12-G14 PolarHBondContact O-N 3.08Å; L12-Y15 PolarHBondContact O-N 3.41Å; L12-T16 WeakPolarHBondContact O-CG2 3.38Å; L12-T16 PolarHBondContact O-N 2.95Å
13	L	87.8	Confident	81.4	Confident	98 Å²	98	97.7 Å²	97.7	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-38.9	176.6	-176	65.1	0	0	0	112.6	T9 L10 G11 T16 I17	T9-L13 PolarHBondContact O-N 3.46Å; T9-L13 VanDerWaalsContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.01Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.09Å; L13-T16 PolarHBondContact O-N 3.47Å; L13-T16 PolarHBondContact O-OG1 3.42Å; L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 2.91Å; L13-I17 VanDerWaalsContact O-N 3.17Å
14	G	90.2	Very high	82.9	Confident	39 Å²	39	92.7 Å²	92.7	40%	0.402	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-45.9	174.1	0	0	0	0	0	112.2	L10 G11 L12 I17 Q18	L10-G14 PolarHBondContact O-N 3.1Å; G11-G14 PolarHBondContact O-N 3.42Å; L12-G14 VanDerWaalsContact C-N 3.33Å; L12-G14 PolarHBondContact O-N 3.08Å; G14-I17 PolarHBondContact O-N 3.36Å; G14-Q18 WeakPolarHBondContact O-CB 3.31Å; G14-Q18 PolarHBondContact O-N 3.04Å
15	Y	92.3	Very high	84.3	Confident	139 Å²	139	89.5 Å²	89.5	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-41.4	177	-71.4	-59.3	0	0	0	112.5	G11 L12 I17 Q18 Y19	G11-Y15 WeakPolarHBondContact O-CD2 3.07Å; G11-Y15 PolarHBondContact O-N 3.34Å; G11-Y15 VanDerWaalsContact O-N 3.09Å; L12-Y15 PolarHBondContact O-N 3.41Å; Y15-I17 PolarHBondContact O-N 3.37Å; Y15-Q18 PolarHBondContact O-N 3.27Å; Y15-Y19 HydrophobicContact CD1-CE2 4.29Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.29Å; Y15-Y19 PolarHBondContact O-N 3.42Å
16	T	92.9	Very high	85.6	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-41.6	179.5	58.9	0	0	0	0	112.2	L12 L13 G20	L12-T16 WeakPolarHBondContact O-CG2 3.38Å; L12-T16 PolarHBondContact O-N 2.95Å; L13-T16 PolarHBondContact O-N 3.47Å; L13-T16 PolarHBondContact O-OG1 3.42Å; T16-G20 PolarHBondContact O-N 3.22Å
17	I	95.5	Very high	86.6	Confident	104 Å²	104	87.6 Å²	87.6	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-47.5	175.1	-65.2	170.6	0	0	0	110.1	L13 G14 Y15 G20 C21	L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 2.91Å; L13-I17 VanDerWaalsContact O-N 3.17Å; G14-I17 PolarHBondContact O-N 3.36Å; Y15-I17 PolarHBondContact O-N 3.37Å; I17-G20 PolarHBondContact O-N 3.37Å; I17-C21 PolarHBondContact O-N 3.45Å; I17-C21 PolarHBondContact O-SG 2.86Å; I17-C21 VanDerWaalsContact O-SG 3.37Å
18	Q	94.9	Very high	87.5	Confident	105 Å²	105	89.9 Å²	89.9	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-58.8	-51.5	-179.8	-176.6	-177.6	0.4	0	0	111.9	G14 Y15 G20 C21 I22	G14-Q18 WeakPolarHBondContact O-CB 3.31Å; G14-Q18 PolarHBondContact O-N 3.04Å; Y15-Q18 PolarHBondContact O-N 3.27Å; Q18-G20 VanDerWaalsContact C-N 3.29Å; Q18-G20 PolarHBondContact O-N 2.9Å; Q18-C21 PolarHBondContact O-N 2.91Å; Q18-I22 HydrophobicContact CG-CD1 3.97Å; Q18-I22 VanDerWaalsContact O-CG1 3.31Å; Q18-I22 WeakPolarHBondContact O-CG1 3.39Å; Q18-I22 PolarHBondContact O-N 2.89Å
19	Y	95.1	Very high	88.4	Confident	154 Å²	154	89.8 Å²	89.8	60%	0.604	48%	0.482	S	S	*	.	H	α-helix	trans	-64.9	-34.1	177.9	-74.5	-66.2	0	0	0	112.2	Y15 I22 A23	Y15-Y19 HydrophobicContact CD1-CE2 4.29Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.29Å; Y15-Y19 PolarHBondContact O-N 3.42Å; Y19-I22 PolarHBondContact O-N 3Å; Y19-A23 VanDerWaalsContact O-CB 3.29Å; Y19-A23 WeakPolarHBondContact O-CB 3.09Å; Y19-A23 PolarHBondContact O-N 3.27Å
20	G	95	Very high	89.1	Confident	41 Å²	41	90.6 Å²	90.6	42%	0.423	48%	0.483	S	S	.	.	H	α-helix	trans	-61.1	-46.7	172.7	0	0	0	0	0	112.5	T16 I17 Q18 A23 H24	T16-G20 PolarHBondContact O-N 3.22Å; I17-G20 PolarHBondContact O-N 3.37Å; Q18-G20 VanDerWaalsContact C-N 3.29Å; Q18-G20 PolarHBondContact O-N 2.9Å; G20-A23 PolarHBondContact O-N 3.17Å; G20-H24 WeakPolarHBondContact O-CB 3.49Å; G20-H24 PolarHBondContact O-N 3.32Å
21	C	94.6	Very high	89.9	Confident	75 Å²	75	85.6 Å²	85.6	51%	0.507	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-43	175.3	-68.2	0	0	0	0	112.1	I17 Q18 H24 C25	I17-C21 PolarHBondContact O-N 3.45Å; I17-C21 PolarHBondContact O-SG 2.86Å; I17-C21 VanDerWaalsContact O-SG 3.37Å; Q18-C21 PolarHBondContact O-N 2.91Å; C21-H24 PolarHBondContact O-N 3.41Å; C21-C25 WeakPolarHBondContact O-CB 3.24Å; C21-C25 PolarHBondContact O-N 2.91Å; C21-C25 PolarHBondContact O-SG 2.93Å; C21-C25 VanDerWaalsContact O-SG 3.34Å
22	I	93.8	Very high	90.7	Very high	92 Å²	92	87.4 Å²	87.4	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-46.5	176.8	-68.7	167.1	0	0	0	110.3	Q18 Y19 C25 A26	Q18-I22 HydrophobicContact CG-CD1 3.97Å; Q18-I22 VanDerWaalsContact O-CG1 3.31Å; Q18-I22 WeakPolarHBondContact O-CG1 3.39Å; Q18-I22 PolarHBondContact O-N 2.89Å; Y19-I22 PolarHBondContact O-N 3Å; I22-C25 PolarHBondContact O-N 3.26Å; I22-A26 VanDerWaalsContact O-CB 3.29Å; I22-A26 WeakPolarHBondContact O-CB 3.43Å; I22-A26 PolarHBondContact O-N 3.02Å
23	A	89.9	Confident	91.2	Very high	40 Å²	40	88.1 Å²	88.1	33%	0.331	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-44.2	177.7	0	0	0	0	0	111.6	Y19 G20 C25 A26 F27	Y19-A23 VanDerWaalsContact O-CB 3.29Å; Y19-A23 WeakPolarHBondContact O-CB 3.09Å; Y19-A23 PolarHBondContact O-N 3.27Å; G20-A23 PolarHBondContact O-N 3.17Å; A23-C25 PolarHBondContact O-N 3.14Å; A23-A26 WeakPolarHBondContact O-CB 3.44Å; A23-A26 PolarHBondContact O-N 3.32Å; A23-F27 HydrophobicContact CB-CE2 4.44Å; A23-F27 WeakPolarHBondContact O-CD2 3.45Å; A23-F27 PolarHBondContact O-N 2.8Å
24	H	90.8	Very high	91.5	Very high	128 Å²	128	85 Å²	85	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-59	-48.1	176.1	179.7	-81.6	0	0	0	111.8	G20 C21 A26 F27 E28	G20-H24 WeakPolarHBondContact O-CB 3.49Å; G20-H24 PolarHBondContact O-N 3.32Å; C21-H24 PolarHBondContact O-N 3.41Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.31Å; H24-F27 PolarHBondContact O-N 2.85Å; H24-E28 VanDerWaalsContact O-CB 3.3Å; H24-E28 WeakPolarHBondContact O-CB 3.45Å; H24-E28 PolarHBondContact O-N 2.81Å
25	C	89.6	Confident	91.8	Very high	63 Å²	63	87.3 Å²	87.3	43%	0.426	45%	0.447	S	S	.	.	H	α-helix	trans	-62.5	-40.6	175.1	-69.8	0	0	0	0	111.7	C21 I22 A23 E28 Y29	C21-C25 WeakPolarHBondContact O-CB 3.24Å; C21-C25 PolarHBondContact O-N 2.91Å; C21-C25 PolarHBondContact O-SG 2.93Å; C21-C25 VanDerWaalsContact O-SG 3.34Å; I22-C25 PolarHBondContact O-N 3.26Å; A23-C25 PolarHBondContact O-N 3.14Å; C25-E28 PolarHBondContact O-N 3.44Å; C25-Y29 HydrophobicContact CB-CD2 4.31Å; C25-Y29 WeakPolarHBondContact O-CB 3.47Å; C25-Y29 VanDerWaalsContact O-CD2 3.24Å; C25-Y29 WeakPolarHBondContact O-CD2 3.21Å; C25-Y29 PolarHBondContact O-N 2.97Å
26	A	87.8	Confident	91.9	Very high	34 Å²	34	81.3 Å²	81.3	28%	0.281	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-50.5	176.9	0	0	0	0	0	111.1	I22 A23 H24 E28 I30	I22-A26 VanDerWaalsContact O-CB 3.29Å; I22-A26 WeakPolarHBondContact O-CB 3.43Å; I22-A26 PolarHBondContact O-N 3.02Å; A23-A26 WeakPolarHBondContact O-CB 3.44Å; A23-A26 PolarHBondContact O-N 3.32Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-A26 PolarHBondContact O-N 3.31Å; A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.13Å; A26-I30 HydrophobicContact CB-CD1 3.85Å; A26-I30 WeakPolarHBondContact O-CA 3.07Å; A26-I30 WeakPolarHBondContact O-CB 3.3Å; A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 3.41Å
27	F	85.1	Confident	91.9	Very high	132 Å²	132	82 Å²	82	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-65.3	-37	177.8	-72.3	-62.2	0	0	0	112.9	A23 H24	A23-F27 HydrophobicContact CB-CE2 4.44Å; A23-F27 WeakPolarHBondContact O-CD2 3.45Å; A23-F27 PolarHBondContact O-N 2.8Å; H24-F27 PolarHBondContact O-N 2.85Å
28	E	86	Confident	91.8	Very high	92 Å²	92	78.6 Å²	78.6	43%	0.43	42%	0.424	S	S	.	.	H	α-helix	trans	-70.2	-38.5	-178.1	-175.4	61.9	-176.2	0	0	112.6	H24 C25 A26 R55	H24-E28 VanDerWaalsContact O-CB 3.3Å; H24-E28 WeakPolarHBondContact O-CB 3.45Å; H24-E28 PolarHBondContact O-N 2.81Å; C25-E28 PolarHBondContact O-N 3.44Å; A26-E28 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.13Å; E28-R55 WeakPolarHBondContact O-CD 3.45Å; E28-R55 PolarHBondContact O-NH1 2.49Å; E28-R55 IonicContact OE1-NH1 3.83Å; E28-R55 IonicContact OE2-CZ 4Å; E28-R55 IonicContact OE2-NH1 2.82Å; E28-R55 PolarHBondContact OE2-NH1 3.04Å
29	Y	85.4	Confident	91.7	Very high	133 Å²	133	75.6 Å²	75.6	52%	0.522	41%	0.414	S	S	.	.	H	α-helix	trans	-104.7	-25.9	-172.6	-68.1	-76.1	0	0	0	115	C25	C25-Y29 HydrophobicContact CB-CD2 4.31Å; C25-Y29 WeakPolarHBondContact O-CB 3.47Å; C25-Y29 VanDerWaalsContact O-CD2 3.24Å; C25-Y29 WeakPolarHBondContact O-CD2 3.21Å; C25-Y29 PolarHBondContact O-N 2.97Å
30	I	89.9	Confident	91.7	Very high	95 Å²	95	69.4 Å²	69.4	49%	0.487	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-59	-177.5	-57.4	176.8	0	0	0	109.6	A26 F52 E54 R55	A26-I30 HydrophobicContact CB-CD1 3.85Å; A26-I30 WeakPolarHBondContact O-CA 3.07Å; A26-I30 WeakPolarHBondContact O-CB 3.3Å; A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 3.41Å; I30-F52 HydrophobicContact CG2-CZ 4.35Å; I30-E54 CarbonylContact O-C 3.55Å; I30-E54 WeakPolarHBondContact O-CA 3.46Å; I30-E54 WeakPolarHBondContact O-CB 3.37Å; I30-R55 PolarHBondContact O-N 3.46Å
31	G	92.2	Very high	91.6	Very high	4 Å²	4	67.7 Å²	67.7	4%	0.041	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	176.6	-173.7	0	0	0	0	0	114.5	S53	G31-S53 CarbonylContact C-O 3.57Å; G31-S53 WeakPolarHBondContact CA-O 3.08Å
32	E	92.5	Very high	91.6	Very high	70 Å²	70	67.1 Å²	67.1	33%	0.327	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.8	-176.8	66.5	-171.5	119.8	0	0	111.9	V34 F52 S53 R55	E32-V34 HydrophobicContact CG-CG2 3.78Å; E32-F52 WeakPolarHBondContact O-CD2 3.19Å; E32-S53 PolarHBondContact N-O 2.82Å; E32-S53 PolarHBondContact O-N 3.33Å; E32-R55 IonicContact OE1-CZ 3.48Å; E32-R55 IonicContact OE1-NE 3.33Å; E32-R55 PolarHBondContact OE1-NE 2.76Å; E32-R55 IonicContact OE1-NH2 3.09Å; E32-R55 PolarHBondContact OE1-NH2 3.39Å; E32-R55 IonicContact OE2-NH2 2.76Å
33	F	94.1	Very high	91.4	Very high	133 Å²	133	67.4 Å²	67.4	58%	0.583	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	126	173.1	-60.6	-86.1	0	0	0	109.1	V50 F52 L145	F33-V50 HydrophobicContact CB-CG1 4.49Å; F33-F52 HydrophobicContact CD1-CD2 4.01Å; F33-F52 AromaticContact CE1-CD2 3.88Å; F33-F52 HydrophobicContact CE1-CD2 3.88Å; F33-F52 HydrophobicContact CG-CD2 4.41Å; F33-F52 HydrophobicContact CZ-CD2 4.15Å; F33-F52 HydrophobicContact CZ-CE2 4.4Å; F33-L145 HydrophobicContact CD1-CD1 3.39Å; F33-L145 HydrophobicContact CE1-CD1 3.3Å
34	V	94.8	Very high	91.5	Very high	33 Å²	33	66.7 Å²	66.7	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.8	-176.9	-174.4	0	0	0	0	110.4	E32 V50 V51 I70	E32-V34 HydrophobicContact CG-CG2 3.78Å; V34-V50 WeakPolarHBondContact O-CA 3.45Å; V34-V51 HydrophobicContact CB-CG2 4.23Å; V34-V51 PolarHBondContact N-O 3.36Å; V34-V51 PolarHBondContact O-N 2.9Å; V34-I70 HydrophobicContact CB-CD1 3.75Å; V34-I70 HydrophobicContact CG1-CD1 3.86Å; V34-I70 HydrophobicContact CG2-CD1 3.51Å
35	V	95.7	Very high	91.6	Very high	88 Å²	88	60.7 Å²	60.7	53%	0.533	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.3	169.2	-173.8	0	0	0	0	108	V50	V35-V50 HydrophobicContact CG2-CG2 4.3Å
36	C	93.5	Very high	91.8	Very high	13 Å²	13	60.6 Å²	60.6	9%	0.088	33%	0.333	C	S	.	.			trans	-87.2	133	178.3	-68.1	0	0	0	0	110.4	I45 H48 D49	C36-I45 HydrophobicContact CB-CG2 3.53Å; C36-H48 PolarHBondContact O-N 3.45Å; C36-D49 PolarHBondContact N-O 2.93Å
37	S	93.9	Very high	92	Very high	93 Å²	93	62.2 Å²	62.2	65%	0.65	34%	0.337	S	S	*	.			trans	-126.2	133.1	177.3	-60.4	0	0	0	0	110.6	N47	S37-N47 WeakPolarHBondContact CA-OD1 3.46Å
38	G	92.9	Very high	92.4	Very high	33 Å²	33	61.9 Å²	61.9	34%	0.34	34%	0.337	S	S	.	.	S	Bend	trans	104.8	165	176.3	0	0	0	0	0	115.1	S40 N47	G38-S40 PolarHBondContact O-N 2.82Å; G38-N47 PolarHBondContact N-OD1 3.47Å
39	P	94.3	Very high	92.8	Very high	42 Å²	42	57.9 Å²	57.9	27%	0.273	32%	0.318	S	S	.	.	S	Bend	trans	-89.1	-2.7	-162.8	33.8	-36.4	0	0	0	114.7	M41 E42 N119 N122	P39-M41 VanDerWaalsContact C-N 3.26Å; P39-M41 PolarHBondContact O-N 3.34Å; P39-E42 WeakPolarHBondContact O-CB 3.11Å; P39-E42 WeakPolarHBondContact O-CG 3.17Å; P39-E42 PolarHBondContact O-N 3.4Å; P39-E42 VanDerWaalsContact O-N 3.12Å; P39-N119 WeakPolarHBondContact O-CB 3.47Å; P39-N119 PolarHBondContact O-ND2 3.2Å; P39-N119 VanDerWaalsContact O-ND2 3.08Å; P39-N122 HydrophobicContact CG-CB 4.29Å; P39-N122 WeakPolarHBondContact CG-ND2 3.42Å
40	S	93.7	Very high	93.3	Very high	24 Å²	24	53.3 Å²	53.3	17%	0.168	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.8	-162.3	74.6	0	0	0	0	115.6	G38 K83 G117 D118 N119 N122	G38-S40 PolarHBondContact O-N 2.82Å; S40-K83 PolarHBondContact OG-NZ 2.86Å; S40-G117 CarbonylContact O-C 3.35Å; S40-G117 WeakPolarHBondContact O-CA 3.41Å; S40-D118 PolarHBondContact O-N 2.86Å; S40-D118 VanDerWaalsContact O-N 3.15Å; S40-N119 WeakPolarHBondContact O-CB 3.07Å; S40-N119 PolarHBondContact O-N 3.26Å; S40-N122 VanDerWaalsContact CA-O 3.26Å; S40-N122 WeakPolarHBondContact CA-O 3.29Å; S40-N122 WeakPolarHBondContact CB-O 3.06Å
41	M	94.1	Very high	93.6	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.02	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	9.5	178.2	-69.7	-61.7	-66.4	0	0	112.3	P39 T44 I45 I68 C82 K83 R84 D118	P39-M41 VanDerWaalsContact C-N 3.26Å; P39-M41 PolarHBondContact O-N 3.34Å; M41-T44 WeakPolarHBondContact O-CA 3.06Å; M41-T44 WeakPolarHBondContact O-CB 3.21Å; M41-T44 PolarHBondContact O-N 3.49Å; M41-I45 CarbonylContact C-O 3.48Å; M41-I45 VanDerWaalsContact C-O 3.24Å; M41-I45 HydrophobicContact CB-CB 3.81Å; M41-I45 HydrophobicContact CB-CD1 4.47Å; M41-I45 HydrophobicContact CB-CG1 4.43Å; M41-I45 PolarHBondContact O-N 2.92Å; M41-I68 HydrophobicContact CE-CB 4.4Å; M41-I68 HydrophobicContact CE-CD1 3.75Å; M41-I68 HydrophobicContact CE-CG1 3.83Å; M41-I68 HydrophobicContact CE-CG2 3.74Å; M41-C82 HydrophobicContact CG-CB 4.32Å; M41-C82 WeakPolarHBondContact CG-O 3.49Å; M41-K83 VanDerWaalsContact SD-CA 3.51Å; M41-R84 HydrophobicContact CE-CB 4.29Å; M41-D118 WeakPolarHBondContact CE-OD2 3.44Å
42	E	93.1	Very high	93.7	Very high	64 Å²	64	50.1 Å²	50.1	30%	0.299	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	142.4	174.3	-68.6	176.1	-176.1	0	0	110.4	P39 I45 V46 D118 N119	P39-E42 WeakPolarHBondContact O-CB 3.11Å; P39-E42 WeakPolarHBondContact O-CG 3.17Å; P39-E42 PolarHBondContact O-N 3.4Å; P39-E42 VanDerWaalsContact O-N 3.12Å; E42-I45 PolarHBondContact N-O 2.89Å; E42-V46 HydrophobicContact CG-CG2 4.4Å; E42-D118 CarbonylContact O-C 3.24Å; E42-N119 HydrophobicContact CB-CB 4.36Å; E42-N119 WeakPolarHBondContact O-CA 3.27Å; E42-N119 WeakPolarHBondContact O-CB 3.44Å; E42-N119 PolarHBondContact O-N 2.86Å; E42-N119 VanDerWaalsContact O-N 3.15Å
43	P	90.7	Very high	93.8	Very high	98 Å²	98	46.9 Å²	46.9	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.2	-3.1	4.8	35.6	-36.6	0	0	0	114.6	P158	P43-P158 HydrophobicContact CG-CB 4.48Å
44	T	91.9	Very high	93.9	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.147	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-45	-173	-59.2	0	0	0	0	112.9	M41 I68 D118 L154 P158	M41-T44 WeakPolarHBondContact O-CA 3.06Å; M41-T44 WeakPolarHBondContact O-CB 3.21Å; M41-T44 PolarHBondContact O-N 3.49Å; T44-I68 HydrophobicContact CG2-CD1 3.86Å; T44-D118 WeakPolarHBondContact CB-OD2 3.34Å; T44-D118 PolarHBondContact OG1-OD2 3.06Å; T44-D118 VanDerWaalsContact OG1-OD2 3.08Å; T44-L154 HydrophobicContact CG2-CD2 3.93Å; T44-P158 VanDerWaalsContact OG1-CD 3.32Å; T44-P158 WeakPolarHBondContact OG1-CD 3.17Å; T44-P158 WeakPolarHBondContact OG1-CG 3.43Å
45	I	92.3	Very high	93.8	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	24%	0.244	C	C	.	.	S	Bend	trans	-126	120	174	-57.3	172.1	0	0	0	107.4	C36 M41 E42 D49 V51 I68 L154	C36-I45 HydrophobicContact CB-CG2 3.53Å; M41-I45 CarbonylContact C-O 3.48Å; M41-I45 VanDerWaalsContact C-O 3.24Å; M41-I45 HydrophobicContact CB-CB 3.81Å; M41-I45 HydrophobicContact CB-CD1 4.47Å; M41-I45 HydrophobicContact CB-CG1 4.43Å; M41-I45 PolarHBondContact O-N 2.92Å; E42-I45 PolarHBondContact N-O 2.89Å; I45-D49 WeakPolarHBondContact CA-OD2 2.97Å; I45-D49 HydrophobicContact CG2-CB 3.86Å; I45-V51 HydrophobicContact CD1-CG1 4.2Å; I45-V51 HydrophobicContact CG1-CG1 4.49Å; I45-V51 HydrophobicContact CG2-CG1 4.42Å; I45-I68 HydrophobicContact CD1-CD1 4.11Å; I45-I68 HydrophobicContact CD1-CG2 4.09Å; I45-L154 HydrophobicContact CD1-CD1 3.81Å; I45-L154 HydrophobicContact CG1-CD1 3.85Å
46	V	93.4	Very high	93.6	Very high	60 Å²	60	41.7 Å²	41.7	36%	0.364	24%	0.239	S	C	.	.			trans	-101	160.3	179.8	-172.7	0	0	0	0	109	E42 H48 D49	E42-V46 HydrophobicContact CG-CG2 4.4Å; V46-H48 PolarHBondContact O-N 3.41Å; V46-D49 PolarHBondContact N-OD2 3.43Å; V46-D49 VanDerWaalsContact O-CB 3.28Å; V46-D49 WeakPolarHBondContact O-CB 3.42Å; V46-D49 VanDerWaalsContact O-CG 3.23Å; V46-D49 PolarHBondContact O-N 2.79Å; V46-D49 VanDerWaalsContact O-N 3.11Å
47	N	92.6	Very high	93.4	Very high	69 Å²	69	41.6 Å²	41.6	37%	0.369	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.7	177.5	-164.9	23.1	0	0	0	112.2	S37 G38 D49	S37-N47 WeakPolarHBondContact CA-OD1 3.46Å; G38-N47 PolarHBondContact N-OD1 3.47Å; N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 2.8Å
48	H	93.2	Very high	93.2	Very high	125 Å²	125	40.2 Å²	40.2	58%	0.579	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	10.1	-175.9	-53.4	-69.5	0	0	0	116.5	C36 V46	C36-H48 PolarHBondContact O-N 3.45Å; V46-H48 PolarHBondContact O-N 3.41Å
49	D	94.6	Very high	93	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	22%	0.224	C	C	.	.			trans	-65	141.1	167.7	-77	-17.3	0	0	0	110.8	C36 I45 V46 N47 K144 W146 P147	C36-D49 PolarHBondContact N-O 2.93Å; I45-D49 WeakPolarHBondContact CA-OD2 2.97Å; I45-D49 HydrophobicContact CG2-CB 3.86Å; V46-D49 PolarHBondContact N-OD2 3.43Å; V46-D49 VanDerWaalsContact O-CB 3.28Å; V46-D49 WeakPolarHBondContact O-CB 3.42Å; V46-D49 VanDerWaalsContact O-CG 3.23Å; V46-D49 PolarHBondContact O-N 2.79Å; V46-D49 VanDerWaalsContact O-N 3.11Å; N47-D49 VanDerWaalsContact C-N 3.29Å; N47-D49 PolarHBondContact O-N 2.8Å; D49-K144 VanDerWaalsContact OD1-CE 3.29Å; D49-K144 WeakPolarHBondContact OD1-CE 3.43Å; D49-K144 IonicContact OD1-NZ 3.68Å; D49-K144 PolarHBondContact OD1-NZ 3.06Å; D49-K144 VanDerWaalsContact OD1-NZ 3.17Å; D49-K144 WeakPolarHBondContact OD2-CE 3.26Å; D49-K144 IonicContact OD2-NZ 2.76Å; D49-K144 PolarHBondContact OD2-NZ 3.41Å; D49-W146 WeakPolarHBondContact CA-O 3.49Å; D49-P147 WeakPolarHBondContact OD1-CD 3.37Å
50	V	95.6	Very high	92.9	Very high	38 Å²	38	45.7 Å²	45.7	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.9	172.2	-174.5	0	0	0	0	108.3	F33 V34 V35 L145 W146	F33-V50 HydrophobicContact CB-CG1 4.49Å; V34-V50 WeakPolarHBondContact O-CA 3.45Å; V35-V50 HydrophobicContact CG2-CG2 4.3Å; V50-L145 PolarHBondContact O-N 3.36Å; V50-W146 HydrophobicContact CB-CB 3.71Å; V50-W146 HydrophobicContact CG2-CB 3.79Å; V50-W146 HydrophobicContact CG2-CG 4.4Å; V50-W146 PolarHBondContact N-O 2.78Å; V50-W146 VanDerWaalsContact N-O 3.13Å; V50-W146 PolarHBondContact O-N 3.29Å
51	V	95.7	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.4	179.7	-54.7	0	0	0	0	110.8	V34 I45 V141 W143 L154	V34-V51 HydrophobicContact CB-CG2 4.23Å; V34-V51 PolarHBondContact N-O 3.36Å; V34-V51 PolarHBondContact O-N 2.9Å; I45-V51 HydrophobicContact CD1-CG1 4.2Å; I45-V51 HydrophobicContact CG1-CG1 4.49Å; I45-V51 HydrophobicContact CG2-CG1 4.42Å; V51-V141 HydrophobicContact CB-CG1 3.52Å; V51-V141 HydrophobicContact CG1-CG1 4.07Å; V51-V141 HydrophobicContact CG2-CG1 3.66Å; V51-V141 HydrophobicContact CG2-CG2 4.2Å; V51-W143 CarbonylContact C-O 3.54Å; V51-W143 VanDerWaalsContact CA-O 3.28Å; V51-W143 WeakPolarHBondContact CA-O 3.2Å; V51-W143 WeakPolarHBondContact CB-O 3.36Å; V51-L154 HydrophobicContact CG1-CD1 4.42Å
52	F	95.6	Very high	92.5	Very high	32 Å²	32	58.1 Å²	58.1	14%	0.14	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.6	170.1	-174.1	-115.5	0	0	0	109.5	I30 E32 F33 E54 V141 C142 W143 L145	I30-F52 HydrophobicContact CG2-CZ 4.35Å; E32-F52 WeakPolarHBondContact O-CD2 3.19Å; F33-F52 HydrophobicContact CD1-CD2 4.01Å; F33-F52 AromaticContact CE1-CD2 3.88Å; F33-F52 HydrophobicContact CE1-CD2 3.88Å; F33-F52 HydrophobicContact CG-CD2 4.41Å; F33-F52 HydrophobicContact CZ-CD2 4.15Å; F33-F52 HydrophobicContact CZ-CE2 4.4Å; F52-E54 HydrophobicContact CE1-CB 4.16Å; F52-V141 WeakPolarHBondContact O-CA 3.26Å; F52-C142 VanDerWaalsContact CD1-SG 3.56Å; F52-C142 PolarHBondContact O-N 2.72Å; F52-C142 VanDerWaalsContact O-N 3.16Å; F52-W143 HydrophobicContact CB-CB 4.38Å; F52-W143 HydrophobicContact CD1-CE3 4.04Å; F52-W143 HydrophobicContact CD1-CZ3 4.46Å; F52-W143 PolarHBondContact N-O 3.46Å; F52-L145 HydrophobicContact CB-CD1 3.92Å; F52-L145 HydrophobicContact CB-CG 4.32Å
53	S	95.3	Very high	92.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.9	175.4	-171.3	0	0	0	0	110	G31 E32 G139 R140	G31-S53 CarbonylContact C-O 3.57Å; G31-S53 WeakPolarHBondContact CA-O 3.08Å; E32-S53 PolarHBondContact N-O 2.82Å; E32-S53 PolarHBondContact O-N 3.33Å; S53-G139 WeakPolarHBondContact OG-CA 3.46Å; S53-R140 CarbonylContact C-O 3.51Å; S53-R140 WeakPolarHBondContact CA-O 3.18Å; S53-R140 PolarHBondContact OG-O 3.22Å
54	E	94.3	Very high	92.6	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.3	174.3	62.7	82.6	179.8	0	0	111.4	I30 F52 M56 S57 G139 R140 C142	I30-E54 CarbonylContact O-C 3.55Å; I30-E54 WeakPolarHBondContact O-CA 3.46Å; I30-E54 WeakPolarHBondContact O-CB 3.37Å; F52-E54 HydrophobicContact CE1-CB 4.16Å; E54-M56 WeakPolarHBondContact OE2-CA 3.31Å; E54-M56 PolarHBondContact OE2-N 3.09Å; E54-S57 VanDerWaalsContact CD-OG 3.31Å; E54-S57 WeakPolarHBondContact OE1-CB 3.45Å; E54-S57 PolarHBondContact OE1-OG 2.8Å; E54-S57 PolarHBondContact OE2-N 2.89Å; E54-S57 PolarHBondContact OE2-OG 2.78Å; E54-G139 CarbonylContact O-C 3.45Å; E54-G139 WeakPolarHBondContact O-CA 3.35Å; E54-R140 HydrophobicContact CG-CB 4.45Å; E54-R140 PolarHBondContact N-O 2.91Å; E54-R140 PolarHBondContact O-N 2.85Å; E54-R140 WeakPolarHBondContact OE1-CB 3.2Å; E54-R140 IonicContact OE1-CZ 3.29Å; E54-R140 IonicContact OE1-NE 3.33Å; E54-R140 PolarHBondContact OE1-NE 2.81Å; E54-R140 IonicContact OE1-NH2 3.52Å; E54-R140 PolarHBondContact OE1-NH2 3.29Å; E54-R140 VanDerWaalsContact OE1-NH2 3.09Å; E54-C142 HydrophobicContact CG-CB 4.38Å
55	R	93.8	Very high	92.6	Very high	41 Å²	41	60.1 Å²	60.1	16%	0.155	28%	0.284	C	S	.	.	S	Bend	trans	-97.6	-15.5	-176	-66	177.2	174.6	-174.5	3.5	112.6	E28 I30 E32 S57 R58 H59	E28-R55 WeakPolarHBondContact O-CD 3.45Å; E28-R55 PolarHBondContact O-NH1 2.49Å; E28-R55 IonicContact OE1-NH1 3.83Å; E28-R55 IonicContact OE2-CZ 4Å; E28-R55 IonicContact OE2-NH1 2.82Å; E28-R55 PolarHBondContact OE2-NH1 3.04Å; I30-R55 PolarHBondContact O-N 3.46Å; E32-R55 IonicContact OE1-CZ 3.48Å; E32-R55 IonicContact OE1-NE 3.33Å; E32-R55 PolarHBondContact OE1-NE 2.76Å; E32-R55 IonicContact OE1-NH2 3.09Å; E32-R55 PolarHBondContact OE1-NH2 3.39Å; E32-R55 IonicContact OE2-NH2 2.76Å; R55-S57 PolarHBondContact O-N 3.38Å; R55-R58 PolarHBondContact O-N 3.41Å; R55-H59 PolarHBondContact O-CD2 3.03Å; R55-H59 PolarHBondContact O-N 2.7Å
56	M	90.6	Very high	92.6	Very high	87 Å²	87	60.3 Å²	60.3	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-43.2	-174.3	-170.4	63.2	64.1	0	0	112.5	E54 R58 H59 L60	E54-M56 WeakPolarHBondContact OE2-CA 3.31Å; E54-M56 PolarHBondContact OE2-N 3.09Å; M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 2.92Å; M56-H59 PolarHBondContact O-N 3.34Å; M56-L60 HydrophobicContact CG-CD1 3.71Å; M56-L60 HydrophobicContact CG-CG 4.19Å; M56-L60 WeakPolarHBondContact O-CG 3.26Å; M56-L60 PolarHBondContact O-N 3.33Å; M56-L60 HydrophobicContact SD-CD1 3.99Å; M56-L60 HydrophobicContact SD-CG 4.1Å
57	S	90.1	Very high	92.6	Very high	12 Å²	12	58.4 Å²	58.4	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-33.6	-177.8	-64.2	0	0	0	0	112.7	E54 R55 F61 K62 R140	E54-S57 VanDerWaalsContact CD-OG 3.31Å; E54-S57 WeakPolarHBondContact OE1-CB 3.45Å; E54-S57 PolarHBondContact OE1-OG 2.8Å; E54-S57 PolarHBondContact OE2-N 2.89Å; E54-S57 PolarHBondContact OE2-OG 2.78Å; R55-S57 PolarHBondContact O-N 3.38Å; S57-F61 PolarHBondContact O-N 2.84Å; S57-F61 VanDerWaalsContact O-N 3.14Å; S57-K62 PolarHBondContact O-N 3.05Å; S57-R140 VanDerWaalsContact OG-CZ 3.3Å; S57-R140 PolarHBondContact OG-NE 3.07Å; S57-R140 PolarHBondContact OG-NH2 2.87Å
58	R	90.4	Very high	92.8	Very high	64 Å²	64	55.2 Å²	55.2	24%	0.242	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-47.2	170.4	159.1	-171.4	164.7	72.7	4.5	111.2	R55 M56 L60 F61 Y134 A135 I137	R55-R58 PolarHBondContact O-N 3.41Å; M56-R58 VanDerWaalsContact C-N 3.27Å; M56-R58 PolarHBondContact O-N 2.92Å; R58-L60 VanDerWaalsContact C-N 3.28Å; R58-L60 PolarHBondContact O-N 2.8Å; R58-F61 PolarHBondContact O-N 2.84Å; R58-Y134 HydrophobicContact CG-CE1 4.36Å; R58-Y134 PolarHBondContact NH1-O 3.26Å; R58-A135 PolarHBondContact NH1-O 3.14Å; R58-I137 HydrophobicContact CB-CG2 4.42Å; R58-I137 WeakPolarHBondContact CD-O 3.5Å; R58-I137 PolarHBondContact NE-O 2.99Å; R58-I137 PolarHBondContact NH1-O 2.84Å
59	H	88.4	Confident	93	Very high	94 Å²	94	49.3 Å²	49.3	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-30.3	-176.6	-74.3	-64.7	0	0	0	112.9	R55 M56	R55-H59 PolarHBondContact O-CD2 3.03Å; R55-H59 PolarHBondContact O-N 2.7Å; M56-H59 PolarHBondContact O-N 3.34Å
60	L	90.8	Very high	93.1	Very high	95 Å²	95	49.4 Å²	49.4	50%	0.497	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.5	177.1	-61.3	179.8	0	0	0	113.5	M56 R58 K62	M56-L60 HydrophobicContact CG-CD1 3.71Å; M56-L60 HydrophobicContact CG-CG 4.19Å; M56-L60 WeakPolarHBondContact O-CG 3.26Å; M56-L60 PolarHBondContact O-N 3.33Å; M56-L60 HydrophobicContact SD-CD1 3.99Å; M56-L60 HydrophobicContact SD-CG 4.1Å; R58-L60 VanDerWaalsContact C-N 3.28Å; R58-L60 PolarHBondContact O-N 2.8Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 HydrophobicContact CB-CD 4.13Å; L60-K62 HydrophobicContact CB-CG 3.97Å; L60-K62 HydrophobicContact CD1-CD 4.46Å; L60-K62 WeakPolarHBondContact O-CG 3.13Å; L60-K62 PolarHBondContact O-N 3.02Å
61	F	87.8	Confident	93.2	Very high	161 Å²	161	47.6 Å²	47.6	71%	0.706	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	38	-175.2	-63.6	-89.6	0	0	0	113.9	S57 R58 Y134	S57-F61 PolarHBondContact O-N 2.84Å; S57-F61 VanDerWaalsContact O-N 3.14Å; R58-F61 PolarHBondContact O-N 2.84Å; F61-Y134 WeakPolarHBondContact CA-OH 2.92Å; F61-Y134 HydrophobicContact CD1-CD1 4.16Å; F61-Y134 AromaticContact CD1-CE1 3.78Å; F61-Y134 HydrophobicContact CD1-CE1 3.78Å; F61-Y134 HydrophobicContact CE1-CD1 4.09Å; F61-Y134 HydrophobicContact CE1-CE1 4.07Å
62	K	91.8	Very high	93.2	Very high	128 Å²	128	50.8 Å²	50.8	56%	0.557	23%	0.233	S	C	*	.			trans	-108.8	38.9	-177.4	-65.7	-172.4	176	-174.3	0	113.1	S57 L60	S57-K62 PolarHBondContact O-N 3.05Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 HydrophobicContact CB-CD 4.13Å; L60-K62 HydrophobicContact CB-CG 3.97Å; L60-K62 HydrophobicContact CD1-CD 4.46Å; L60-K62 WeakPolarHBondContact O-CG 3.13Å; L60-K62 PolarHBondContact O-N 3.02Å
63	I	93.9	Very high	93.3	Very high	8 Å²	8	50 Å²	50	4%	0.041	23%	0.232	C	C	.	.			trans	-90.4	126.6	173.2	-63.8	-67.2	0	0	0	107.7	D67 V69 V85 Y134 R140	I63-D67 HydrophobicContact CG2-CB 4.3Å; I63-V69 HydrophobicContact CD1-CG1 4.01Å; I63-V69 HydrophobicContact CG2-CG1 4.04Å; I63-V85 HydrophobicContact CG2-CG2 3.69Å; I63-Y134 HydrophobicContact CB-CE2 3.9Å; I63-Y134 HydrophobicContact CG1-CE2 4.06Å; I63-Y134 WeakPolarHBondContact CG1-OH 3.39Å; I63-R140 HydrophobicContact CD1-CB 3.64Å; I63-R140 HydrophobicContact CD1-CG 4.13Å
64	E	93.1	Very high	93.3	Very high	126 Å²	126	52.5 Å²	52.5	59%	0.589	25%	0.248	S	C	*	.			trans	-112.1	163.3	-174.4	-64.9	179.2	175.5	0	0	111.2	G66 D67	E64-G66 PolarHBondContact O-N 3.41Å; E64-D67 PolarHBondContact N-OD2 3.39Å; E64-D67 VanDerWaalsContact O-CB 3.29Å; E64-D67 WeakPolarHBondContact O-CB 3.3Å; E64-D67 PolarHBondContact O-N 2.86Å; E64-D67 VanDerWaalsContact O-N 3.15Å
65	K	92	Very high	93.2	Very high	95 Å²	95	58.3 Å²	58.3	41%	0.413	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	135.5	173.1	-56.6	-177.6	-151.5	-164.9	0	109	D67 L88 D91	K65-D67 VanDerWaalsContact C-N 3.33Å; K65-L88 HydrophobicContact CG-CD1 4.12Å; K65-L88 HydrophobicContact CG-CG 4.11Å; K65-D91 WeakPolarHBondContact CE-OD2 3.42Å; K65-D91 IonicContact NZ-OD1 3.36Å; K65-D91 PolarHBondContact NZ-OD1 3.47Å; K65-D91 IonicContact NZ-OD2 3.46Å; K65-D91 PolarHBondContact NZ-OD2 3.12Å
66	G	91.6	Very high	93.3	Very high	7 Å²	7	59.6 Å²	59.6	7%	0.072	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-15.3	-174.9	0	0	0	0	0	114.5	E64 R84 V85	E64-G66 PolarHBondContact O-N 3.41Å; G66-R84 WeakPolarHBondContact O-CG 3.36Å; G66-R84 PolarHBondContact O-NH1 2.93Å; G66-V85 PolarHBondContact N-O 2.93Å
67	D	94.4	Very high	93.4	Very high	20 Å²	20	59.5 Å²	59.5	11%	0.107	29%	0.289	C	S	.	.			trans	-61.3	143.6	172.9	-78.1	-23.2	0	0	0	111	I63 E64 K65 R84 V85 R140	I63-D67 HydrophobicContact CG2-CB 4.3Å; E64-D67 PolarHBondContact N-OD2 3.39Å; E64-D67 VanDerWaalsContact O-CB 3.29Å; E64-D67 WeakPolarHBondContact O-CB 3.3Å; E64-D67 PolarHBondContact O-N 2.86Å; E64-D67 VanDerWaalsContact O-N 3.15Å; K65-D67 VanDerWaalsContact C-N 3.33Å; D67-R84 CarbonylContact O-C 3.56Å; D67-R84 WeakPolarHBondContact O-CA 3.35Å; D67-V85 HydrophobicContact CB-CG2 4.32Å; D67-V85 WeakPolarHBondContact O-CG2 3.3Å; D67-V85 PolarHBondContact O-N 2.93Å; D67-R140 HydrophobicContact CB-CG 4.15Å; D67-R140 WeakPolarHBondContact OD1-CD 3.37Å; D67-R140 IonicContact OD1-NH1 3.98Å; D67-R140 PolarHBondContact OD1-NH1 3.1Å; D67-R140 WeakPolarHBondContact OD2-CD 3.44Å; D67-R140 IonicContact OD2-NE 2.72Å; D67-R140 IonicContact OD2-NH1 3.57Å; D67-R140 PolarHBondContact OD2-NH1 2.77Å
68	I	95.8	Very high	93.6	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.3	168.3	-58.7	176.9	0	0	0	107.4	M41 T44 I45 C82 K83 R140 V141 L154	M41-I68 HydrophobicContact CE-CB 4.4Å; M41-I68 HydrophobicContact CE-CD1 3.75Å; M41-I68 HydrophobicContact CE-CG1 3.83Å; M41-I68 HydrophobicContact CE-CG2 3.74Å; T44-I68 HydrophobicContact CG2-CD1 3.86Å; I45-I68 HydrophobicContact CD1-CD1 4.11Å; I45-I68 HydrophobicContact CD1-CG2 4.09Å; I68-C82 VanDerWaalsContact CG2-SG 3.51Å; I68-K83 CarbonylContact C-O 3.57Å; I68-K83 WeakPolarHBondContact CA-O 3.4Å; I68-R140 CarbonylContact O-C 3.41Å; I68-R140 WeakPolarHBondContact O-CA 3.5Å; I68-R140 WeakPolarHBondContact O-CG 3.29Å; I68-V141 HydrophobicContact CB-CB 4.04Å; I68-V141 HydrophobicContact CB-CG2 4.5Å; I68-V141 HydrophobicContact CG2-CB 3.91Å; I68-V141 HydrophobicContact CG2-CG2 3.89Å; I68-V141 PolarHBondContact O-N 3.32Å; I68-L154 HydrophobicContact CD1-CB 3.74Å; I68-L154 HydrophobicContact CD1-CD1 3.96Å; I68-L154 HydrophobicContact CD1-CG 4.46Å
69	V	96.8	Very high	93.8	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.1	-178.5	-63.7	0	0	0	0	111.1	I63 C82 K83 V85 L115 I137 G139	I63-V69 HydrophobicContact CD1-CG1 4.01Å; I63-V69 HydrophobicContact CG2-CG1 4.04Å; V69-C82 WeakPolarHBondContact O-CA 3.47Å; V69-K83 PolarHBondContact N-O 2.88Å; V69-K83 PolarHBondContact O-N 2.73Å; V69-V85 HydrophobicContact CG1-CG2 3.84Å; V69-V85 HydrophobicContact CG2-CG2 4.02Å; V69-L115 HydrophobicContact CG2-CD1 3.83Å; V69-L115 HydrophobicContact CG2-CD2 3.69Å; V69-L115 HydrophobicContact CG2-CG 4.44Å; V69-I137 HydrophobicContact CB-CG2 4.12Å; V69-I137 HydrophobicContact CG1-CG2 4.22Å; V69-I137 HydrophobicContact CG2-CG1 4.5Å; V69-G139 WeakPolarHBondContact CA-O 3.34Å
70	I	97.1	Very high	94.1	Very high	9 Å²	9	69 Å²	69	5%	0.046	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.8	163.7	-58.6	-178.6	0	0	0	106.6	V34 N80 I81 R138 G139 V141	V34-I70 HydrophobicContact CB-CD1 3.75Å; V34-I70 HydrophobicContact CG1-CD1 3.86Å; V34-I70 HydrophobicContact CG2-CD1 3.51Å; I70-N80 HydrophobicContact CG2-CB 3.91Å; I70-I81 CarbonylContact C-O 3.55Å; I70-I81 VanDerWaalsContact CA-O 3.3Å; I70-I81 WeakPolarHBondContact CA-O 3.49Å; I70-R138 HydrophobicContact CG2-CB 4.4Å; I70-R138 WeakPolarHBondContact O-CA 3.41Å; I70-R138 WeakPolarHBondContact O-CB 3.29Å; I70-R138 PolarHBondContact O-N 3.4Å; I70-G139 PolarHBondContact N-O 2.92Å; I70-G139 PolarHBondContact O-N 3.28Å; I70-V141 HydrophobicContact CD1-CG2 4.1Å; I70-V141 HydrophobicContact CG1-CG2 3.7Å
71	A	97.3	Very high	94.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.4	178.7	0	0	0	0	0	110.6	N80 I81 L115 I132 L136	A71-N80 CarbonylContact O-C 3.42Å; A71-N80 VanDerWaalsContact O-CA 3.26Å; A71-N80 WeakPolarHBondContact O-CA 3.46Å; A71-I81 HydrophobicContact CB-CG1 4.14Å; A71-I81 PolarHBondContact N-O 3.35Å; A71-I81 WeakPolarHBondContact O-CG1 3.46Å; A71-I81 PolarHBondContact O-N 2.77Å; A71-L115 HydrophobicContact CB-CD1 4.2Å; A71-I132 HydrophobicContact CB-CD1 4.09Å; A71-L136 CarbonylContact C-O 3.53Å; A71-L136 VanDerWaalsContact CA-O 3.26Å; A71-L136 WeakPolarHBondContact CA-O 3.34Å
72	K	97.4	Very high	94.8	Very high	67 Å²	67	59.1 Å²	59.1	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.5	166.5	-85.4	175.3	145.6	165.4	0	110	L136 R138	K72-L136 HydrophobicContact CB-CB 4.38Å; K72-L136 HydrophobicContact CB-CD2 4.19Å; K72-L136 PolarHBondContact N-O 2.92Å; K72-R138 VanDerWaalsContact NZ-NH2 3.17Å
73	S	96.3	Very high	95.1	Very high	17 Å²	17	53.4 Å²	53.4	12%	0.119	27%	0.271	C	S	.	.			trans	-64.9	133.8	174.4	176.2	0	0	0	0	110	F75 D76 M79	S73-F75 PolarHBondContact O-N 3.14Å; S73-F75 PolarHBondContact OG-N 3.41Å; S73-D76 WeakPolarHBondContact CB-O 3.2Å; S73-D76 CarbonylContact O-C 3.54Å; S73-D76 PolarHBondContact OG-N 2.79Å; S73-M79 WeakPolarHBondContact CB-O 3.35Å; S73-M79 PolarHBondContact N-O 3.34Å
74	P	95	Very high	95.2	Very high	53 Å²	53	53 Å²	53	34%	0.344	27%	0.269	S	S	.	.	S	Bend	trans	-70.3	-21.9	174	29.2	-34.6	0	0	0	112.5	Y129 I132	P74-Y129 HydrophobicContact CG-CD1 3.82Å; P74-Y129 HydrophobicContact CG-CD2 3.75Å; P74-Y129 HydrophobicContact CG-CE1 4.05Å; P74-Y129 HydrophobicContact CG-CE2 4.06Å; P74-Y129 HydrophobicContact CG-CG 3.66Å; P74-I132 HydrophobicContact CB-CG2 4.24Å; P74-I132 HydrophobicContact CG-CG2 4.01Å
75	F	93.6	Very high	95.3	Very high	138 Å²	138	47 Å²	47	61%	0.605	24%	0.241	S	C	*	.	S	Bend	trans	-88	-32.5	178.8	-68.7	-54.7	0	0	0	113.4	S73 T124 Y129	S73-F75 PolarHBondContact O-N 3.14Å; S73-F75 PolarHBondContact OG-N 3.41Å; F75-T124 HydrophobicContact CD2-CG2 4.44Å; F75-T124 HydrophobicContact CE2-CG2 4.03Å; F75-Y129 HydrophobicContact CD2-CD1 4.08Å; F75-Y129 AromaticContact CE2-CD1 3.6Å; F75-Y129 HydrophobicContact CE2-CD1 3.6Å; F75-Y129 HydrophobicContact CE2-CG 4.15Å; F75-Y129 HydrophobicContact CZ-CD1 4.32Å; F75-Y129 HydrophobicContact CZ-CG 4.45Å
76	D	94.6	Very high	95.4	Very high	69 Å²	69	43.7 Å²	43.7	37%	0.369	23%	0.228	S	C	.	.			trans	-140.2	102	180	-176.3	-6	0	0	0	110.6	S73 Q78 M79	S73-D76 WeakPolarHBondContact CB-O 3.2Å; S73-D76 CarbonylContact O-C 3.54Å; S73-D76 PolarHBondContact OG-N 2.79Å; D76-Q78 PolarHBondContact O-N 3.43Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.47Å; D76-Q78 PolarHBondContact OD1-N 3.15Å; D76-M79 HydrophobicContact CB-CB 4.23Å; D76-M79 HydrophobicContact CB-CG 4.12Å; D76-M79 PolarHBondContact O-N 2.74Å; D76-M79 VanDerWaalsContact OD2-CG 3.29Å; D76-M79 WeakPolarHBondContact OD2-CG 3.49Å
77	P	92.7	Very high	95.5	Very high	84 Å²	84	43.4 Å²	43.4	55%	0.545	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.6	-178.1	-23.7	34.1	0	0	0	115.5	M79	P77-M79 VanDerWaalsContact C-N 3.31Å
78	Q	94.6	Very high	95.6	Very high	167 Å²	167	44.4 Å²	44.4	78%	0.78	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.5	175.2	-59	-56.8	-37.5	0	0	112.3	D76	D76-Q78 PolarHBondContact O-N 3.43Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.47Å; D76-Q78 PolarHBondContact OD1-N 3.15Å
79	M	94.2	Very high	95.6	Very high	110 Å²	110	49.5 Å²	49.5	54%	0.542	25%	0.253	S	S	.	.			trans	-105.1	138.7	-177.4	-65.5	-66.4	-72	0	0	111.1	S73 D76 P77	S73-M79 WeakPolarHBondContact CB-O 3.35Å; S73-M79 PolarHBondContact N-O 3.34Å; D76-M79 HydrophobicContact CB-CB 4.23Å; D76-M79 HydrophobicContact CB-CG 4.12Å; D76-M79 PolarHBondContact O-N 2.74Å; D76-M79 VanDerWaalsContact OD2-CG 3.29Å; D76-M79 WeakPolarHBondContact OD2-CG 3.49Å; P77-M79 VanDerWaalsContact C-N 3.31Å
80	N	96.2	Very high	95.5	Very high	92 Å²	92	51.4 Å²	51.4	49%	0.492	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.7	168.2	-64.7	-43.5	0	0	0	109.8	I70 A71	I70-N80 HydrophobicContact CG2-CB 3.91Å; A71-N80 CarbonylContact O-C 3.42Å; A71-N80 VanDerWaalsContact O-CA 3.26Å; A71-N80 WeakPolarHBondContact O-CA 3.46Å
81	I	96.6	Very high	95.3	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.7	174.4	57.4	172.3	0	0	0	109.4	I70 A71 K83 Y129	I70-I81 CarbonylContact C-O 3.55Å; I70-I81 VanDerWaalsContact CA-O 3.3Å; I70-I81 WeakPolarHBondContact CA-O 3.49Å; A71-I81 HydrophobicContact CB-CG1 4.14Å; A71-I81 PolarHBondContact N-O 3.35Å; A71-I81 WeakPolarHBondContact O-CG1 3.46Å; A71-I81 PolarHBondContact O-N 2.77Å; I81-K83 HydrophobicContact CB-CG 4.44Å; I81-K83 HydrophobicContact CD1-CG 4.14Å; I81-K83 HydrophobicContact CG1-CG 4.43Å; I81-Y129 WeakPolarHBondContact CD1-OH 3.06Å
82	C	96.9	Very high	95.1	Very high	21 Å²	21	57.1 Å²	57.1	14%	0.142	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.8	171.1	-175.3	0	0	0	0	108	M41 I68 V69	M41-C82 HydrophobicContact CG-CB 4.32Å; M41-C82 WeakPolarHBondContact CG-O 3.49Å; I68-C82 VanDerWaalsContact CG2-SG 3.51Å; V69-C82 WeakPolarHBondContact O-CA 3.47Å
83	K	96.5	Very high	94.8	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161	-174.5	-61.4	-63.7	171.2	-165.5	0	111.1	S40 M41 I68 V69 I81 L115 S123 T124 D125	S40-K83 PolarHBondContact OG-NZ 2.86Å; M41-K83 VanDerWaalsContact SD-CA 3.51Å; I68-K83 CarbonylContact C-O 3.57Å; I68-K83 WeakPolarHBondContact CA-O 3.4Å; V69-K83 PolarHBondContact N-O 2.88Å; V69-K83 PolarHBondContact O-N 2.73Å; I81-K83 HydrophobicContact CB-CG 4.44Å; I81-K83 HydrophobicContact CD1-CG 4.14Å; I81-K83 HydrophobicContact CG1-CG 4.43Å; K83-L115 HydrophobicContact CB-CB 3.72Å; K83-L115 HydrophobicContact CB-CD1 4.28Å; K83-L115 HydrophobicContact CG-CB 4.28Å; K83-S123 PolarHBondContact NZ-OG 2.78Å; K83-T124 VanDerWaalsContact CE-O 3.31Å; K83-T124 WeakPolarHBondContact CE-O 3.36Å; K83-T124 PolarHBondContact NZ-O 2.75Å; K83-D125 HydrophobicContact CD-CB 4.06Å
84	R	95.9	Very high	94.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.7	172.3	-166.2	174.5	-61.9	-88.8	4.8	111.4	M41 G66 D67 I86 L115 E116 D118 L154 E156 S157	M41-R84 HydrophobicContact CE-CB 4.29Å; G66-R84 WeakPolarHBondContact O-CG 3.36Å; G66-R84 PolarHBondContact O-NH1 2.93Å; D67-R84 CarbonylContact O-C 3.56Å; D67-R84 WeakPolarHBondContact O-CA 3.35Å; R84-I86 HydrophobicContact CB-CD1 4.35Å; R84-I86 HydrophobicContact CG-CD1 4.3Å; R84-I86 PolarHBondContact O-N 3.46Å; R84-L115 CarbonylContact O-C 3.52Å; R84-L115 VanDerWaalsContact O-CA 3.28Å; R84-L115 WeakPolarHBondContact O-CA 3.49Å; R84-E116 PolarHBondContact N-O 3.47Å; R84-E116 PolarHBondContact O-N 3.16Å; R84-D118 IonicContact CZ-OD1 2.77Å; R84-D118 IonicContact CZ-OD2 2.7Å; R84-D118 IonicContact NE-OD1 3.7Å; R84-D118 PolarHBondContact NE-OD1 2.88Å; R84-D118 IonicContact NE-OD2 3.43Å; R84-D118 PolarHBondContact NE-OD2 2.83Å; R84-D118 IonicContact NH2-OD1 2.77Å; R84-D118 IonicContact NH2-OD2 3.8Å; R84-D118 PolarHBondContact NH2-OD2 2.8Å; R84-L154 PolarHBondContact NH1-O 3.34Å; R84-E156 PolarHBondContact NH2-O 2.86Å; R84-S157 WeakPolarHBondContact CD-OG 3.28Å; R84-S157 PolarHBondContact NE-OG 3.46Å
85	V	95.6	Very high	93.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.7	173	-177.3	0	0	0	0	108.8	I63 G66 D67 V69 L88 L115	I63-V85 HydrophobicContact CG2-CG2 3.69Å; G66-V85 PolarHBondContact N-O 2.93Å; D67-V85 HydrophobicContact CB-CG2 4.32Å; D67-V85 WeakPolarHBondContact O-CG2 3.3Å; D67-V85 PolarHBondContact O-N 2.93Å; V69-V85 HydrophobicContact CG1-CG2 3.84Å; V69-V85 HydrophobicContact CG2-CG2 4.02Å; V85-L88 HydrophobicContact CG1-CD2 3.69Å; V85-L88 HydrophobicContact CG1-CG 4.25Å; V85-L115 HydrophobicContact CB-CD2 4.2Å; V85-L115 HydrophobicContact CG2-CD2 3.63Å
86	I	94.3	Very high	92.6	Very high	26 Å²	26	50.4 Å²	50.4	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-34.2	176.2	-53.5	-54.1	0	0	0	110.7	R84 I93 W114 E116	R84-I86 HydrophobicContact CB-CD1 4.35Å; R84-I86 HydrophobicContact CG-CD1 4.3Å; R84-I86 PolarHBondContact O-N 3.46Å; I86-I93 HydrophobicContact CG2-CD1 4.45Å; I86-W114 PolarHBondContact N-O 3.5Å; I86-E116 HydrophobicContact CD1-CB 4.32Å; I86-E116 HydrophobicContact CG1-CB 3.63Å; I86-E116 HydrophobicContact CG1-CG 3.72Å
87	G	94.4	Very high	91.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.3	-179.6	0	0	0	0	0	112.6	D91 W114	G87-D91 VanDerWaalsContact CA-OD2 3.3Å; G87-D91 WeakPolarHBondContact CA-OD2 3.45Å; G87-W114 PolarHBondContact N-O 3.21Å; G87-W114 PolarHBondContact O-N 2.85Å
88	L	95.9	Very high	90.4	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	29%	0.288	C	S	.	.			trans	-109	174.1	171.2	-63.4	175	0	0	0	109.7	K65 V85 G90 D91 V108 V113	K65-L88 HydrophobicContact CG-CD1 4.12Å; K65-L88 HydrophobicContact CG-CG 4.11Å; V85-L88 HydrophobicContact CG1-CD2 3.69Å; V85-L88 HydrophobicContact CG1-CG 4.25Å; L88-G90 PolarHBondContact O-N 2.87Å; L88-D91 PolarHBondContact N-OD2 3.38Å; L88-D91 WeakPolarHBondContact O-CB 3.26Å; L88-D91 PolarHBondContact O-N 2.76Å; L88-V108 WeakPolarHBondContact O-CB 3.39Å; L88-V108 WeakPolarHBondContact O-CG1 3.34Å; L88-V113 HydrophobicContact CD2-CG1 3.94Å
89	E	95.9	Very high	89.2	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	134.9	176.8	56.3	-178.4	-164.9	0	0	113.3	D91 M110 G111 H112	E89-D91 PolarHBondContact O-N 3.28Å; E89-M110 HydrophobicContact CB-SD 4.05Å; E89-M110 HydrophobicContact CG-SD 4.39Å; E89-G111 PolarHBondContact OE2-N 2.86Å; E89-H112 PolarHBondContact N-O 2.88Å
90	G	94.5	Very high	88.3	Confident	40 Å²	40	46.9 Å²	46.9	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-13.8	-177.4	0	0	0	0	0	114.9	L88 V108	L88-G90 PolarHBondContact O-N 2.87Å; G90-V108 PolarHBondContact N-O 3.43Å
91	D	93.7	Very high	87.3	Confident	33 Å²	33	50.1 Å²	50.1	18%	0.176	30%	0.295	C	S	.	.			trans	-67.9	146.7	179.4	-74.7	-24.9	0	0	0	112.5	K65 G87 L88 E89 I93 Y107 V108	K65-D91 WeakPolarHBondContact CE-OD2 3.42Å; K65-D91 IonicContact NZ-OD1 3.36Å; K65-D91 PolarHBondContact NZ-OD1 3.47Å; K65-D91 IonicContact NZ-OD2 3.46Å; K65-D91 PolarHBondContact NZ-OD2 3.12Å; G87-D91 VanDerWaalsContact CA-OD2 3.3Å; G87-D91 WeakPolarHBondContact CA-OD2 3.45Å; L88-D91 PolarHBondContact N-OD2 3.38Å; L88-D91 WeakPolarHBondContact O-CB 3.26Å; L88-D91 PolarHBondContact O-N 2.76Å; E89-D91 PolarHBondContact O-N 3.28Å; D91-I93 HydrophobicContact CB-CD1 4.2Å; D91-Y107 CarbonylContact O-C 3.56Å; D91-Y107 WeakPolarHBondContact O-CA 3.38Å; D91-V108 HydrophobicContact CB-CG2 4.21Å; D91-V108 PolarHBondContact O-N 2.82Å
92	K	92.1	Very high	86.3	Confident	96 Å²	96	56.7 Å²	56.7	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.2	171.2	-169.9	-176.9	-173.2	-179.1	0	109.6	H105 Y107	K92-H105 HydrophobicContact CD-CB 4.35Å; K92-H105 HydrophobicContact CG-CB 4Å; K92-Y107 HydrophobicContact CB-CD1 4.08Å; K92-Y107 HydrophobicContact CB-CE1 3.77Å; K92-Y107 HydrophobicContact CD-CE1 4.18Å; K92-Y107 HydrophobicContact CG-CD1 4.38Å; K92-Y107 HydrophobicContact CG-CE1 3.94Å; K92-Y107 HydrophobicContact CG-CE2 4.36Å
93	I	90.5	Very high	85.4	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.4	-176.8	-54.7	-59	0	0	0	110.4	I86 D91 T95 H105 T106 V108 W114	I86-I93 HydrophobicContact CG2-CD1 4.45Å; D91-I93 HydrophobicContact CB-CD1 4.2Å; I93-T95 PolarHBondContact O-N 3.44Å; I93-H105 CarbonylContact O-C 3.39Å; I93-H105 VanDerWaalsContact O-CA 3.29Å; I93-H105 WeakPolarHBondContact O-CA 3.5Å; I93-T106 PolarHBondContact N-O 3.25Å; I93-T106 PolarHBondContact O-N 2.76Å; I93-V108 HydrophobicContact CG1-CG2 3.81Å; I93-W114 HydrophobicContact CB-CD2 4.42Å; I93-W114 HydrophobicContact CG1-CB 4.26Å; I93-W114 HydrophobicContact CG1-CD2 4.29Å; I93-W114 HydrophobicContact CG1-CG 4.12Å; I93-W114 HydrophobicContact CG2-CD2 4.15Å; I93-W114 HydrophobicContact CG2-CG 4.33Å; I93-W114 HydrophobicContact CG2-CZ2 4.35Å
94	C	85.3	Confident	84.7	Confident	60 Å²	60	66.1 Å²	66.1	41%	0.405	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.3	172.1	-58.2	0	0	0	0	109.7	T104 H105	C94-T104 WeakPolarHBondContact CA-O 3.39Å; C94-H105 PolarHBondContact SG-CD2 2.76Å; C94-H105 PolarHBondContact SG-NE2 3.45Å
95	T	78.4	Confident	84.2	Confident	53 Å²	53	69.8 Å²	69.8	33%	0.325	39%	0.385	S	S	.	.			trans	-92.2	-12.8	-178.3	46.8	0	0	0	0	113.7	I93 T104 W114	I93-T95 PolarHBondContact O-N 3.44Å; T95-T104 PolarHBondContact N-O 3.03Å; T95-T104 PolarHBondContact OG1-O 3.23Å; T95-T104 PolarHBondContact OG1-OG1 3.4Å; T95-W114 HydrophobicContact CG2-CH2 3.53Å; T95-W114 HydrophobicContact CG2-CZ2 3.73Å; T95-W114 HydrophobicContact CG2-CZ3 4.44Å
96	S	76.1	Confident	83.9	Confident	14 Å²	14	72.2 Å²	72.2	10%	0.098	40%	0.4	C	S	.	.	S	Bend	trans	-71.6	147.2	179.4	52.8	0	0	0	0	113.1	K103 T104	S96-K103 WeakPolarHBondContact OG-CA 3.28Å; S96-T104 PolarHBondContact N-OG1 3.45Å
97	S	71.6	Confident	83.9	Confident	56 Å²	56	78 Å²	78	39%	0.392	42%	0.42	S	S	.	.			trans	-64.2	149.7	169	-178.3	0	0	0	0	110	S99 D100	S97-S99 WeakPolarHBondContact CB-OG 3.41Å; S97-S99 PolarHBondContact O-N 3.19Å; S97-S99 PolarHBondContact OG-OG 3.34Å; S97-D100 WeakPolarHBondContact CB-OD2 3.47Å; S97-D100 PolarHBondContact N-OD2 3.48Å; S97-D100 WeakPolarHBondContact O-CB 3.41Å; S97-D100 PolarHBondContact O-N 3.35Å
98	P	68.7	Low	84.1	Confident	122 Å²	122	78.1 Å²	78.1	79%	0.792	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.2	175.2	-23.7	33.4	0	0	0	114.1	D100	P98-D100 VanDerWaalsContact C-N 3.34Å
99	S	70.4	Confident	84.1	Confident	99 Å²	99	79 Å²	79	69%	0.692	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.7	178.1	51.6	0	0	0	0	114	S97	S97-S99 WeakPolarHBondContact CB-OG 3.41Å; S97-S99 PolarHBondContact O-N 3.19Å; S97-S99 PolarHBondContact OG-OG 3.34Å
100	D	75.8	Confident	84.2	Confident	78 Å²	78	80.4 Å²	80.4	42%	0.417	44%	0.438	S	S	.	.			trans	-82.5	132.4	-171.3	-58.8	-18.9	0	0	0	110.3	S97 P98 F102	S97-D100 WeakPolarHBondContact CB-OD2 3.47Å; S97-D100 PolarHBondContact N-OD2 3.48Å; S97-D100 WeakPolarHBondContact O-CB 3.41Å; S97-D100 PolarHBondContact O-N 3.35Å; P98-D100 VanDerWaalsContact C-N 3.34Å; D100-F102 VanDerWaalsContact C-N 3.27Å; D100-F102 PolarHBondContact O-N 2.78Å
101	L	74.1	Confident	84.3	Confident	160 Å²	160	80.3 Å²	80.3	84%	0.838	44%	0.436	S	S	*	.	S	Bend	trans	-66.6	-31.5	179.5	-161.1	82.1	0	0	0	112.1
102	F	76.3	Confident	84.5	Confident	167 Å²	167	81.3 Å²	81.3	73%	0.732	44%	0.44	S	S	*	.	S	Bend	trans	-110.8	116.5	179.7	-65.8	-77.7	0	0	0	110.2	D100 T104	D100-F102 VanDerWaalsContact C-N 3.27Å; D100-F102 PolarHBondContact O-N 2.78Å; F102-T104 PolarHBondContact O-N 2.81Å
103	K	77.4	Confident	84.7	Confident	149 Å²	149	76.8 Å²	76.8	65%	0.648	42%	0.42	S	S	*	.			trans	-78.8	115.6	177.1	-68	-175.3	-179.7	176.1	0	111.1	S96 H105	S96-K103 WeakPolarHBondContact OG-CA 3.28Å; K103-H105 PolarHBondContact O-ND1 2.79Å
104	T	81.9	Confident	85	Confident	77 Å²	77	76.7 Å²	76.7	47%	0.472	42%	0.42	S	S	.	.			trans	-87.2	138.9	170.7	54.1	0	0	0	0	110	C94 T95 S96 F102	C94-T104 WeakPolarHBondContact CA-O 3.39Å; T95-T104 PolarHBondContact N-O 3.03Å; T95-T104 PolarHBondContact OG1-O 3.23Å; T95-T104 PolarHBondContact OG1-OG1 3.4Å; S96-T104 PolarHBondContact N-OG1 3.45Å; F102-T104 PolarHBondContact O-N 2.81Å
105	H	86.3	Confident	85.6	Confident	78 Å²	78	73.9 Å²	73.9	36%	0.361	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.8	-179.7	-61.4	81	0	0	0	109.9	K92 I93 C94 K103	K92-H105 HydrophobicContact CD-CB 4.35Å; K92-H105 HydrophobicContact CG-CB 4Å; I93-H105 CarbonylContact O-C 3.39Å; I93-H105 VanDerWaalsContact O-CA 3.29Å; I93-H105 WeakPolarHBondContact O-CA 3.5Å; C94-H105 PolarHBondContact SG-CD2 2.76Å; C94-H105 PolarHBondContact SG-NE2 3.45Å; K103-H105 PolarHBondContact O-ND1 2.79Å
106	T	89.4	Confident	86.4	Confident	51 Å²	51	71.7 Å²	71.7	31%	0.313	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.6	176.6	-62	0	0	0	0	108.8	I93 W114	I93-T106 PolarHBondContact N-O 3.25Å; I93-T106 PolarHBondContact O-N 2.76Å; T106-W114 HydrophobicContact CG2-CZ3 3.95Å
107	Y	94.2	Very high	87.2	Confident	146 Å²	146	71.1 Å²	71.1	57%	0.573	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	139.6	173.3	-72.8	-88.1	0	0	0	110.5	D91 K92 P109	D91-Y107 CarbonylContact O-C 3.56Å; D91-Y107 WeakPolarHBondContact O-CA 3.38Å; K92-Y107 HydrophobicContact CB-CD1 4.08Å; K92-Y107 HydrophobicContact CB-CE1 3.77Å; K92-Y107 HydrophobicContact CD-CE1 4.18Å; K92-Y107 HydrophobicContact CG-CD1 4.38Å; K92-Y107 HydrophobicContact CG-CE1 3.94Å; K92-Y107 HydrophobicContact CG-CE2 4.36Å; Y107-P109 WeakPolarHBondContact O-CD 3.29Å
108	V	96.8	Very high	88.3	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.018	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-79.9	118.7	172.2	-173.9	0	0	0	0	108.7	L88 G90 D91 I93 H112 W114 P131	L88-V108 WeakPolarHBondContact O-CB 3.39Å; L88-V108 WeakPolarHBondContact O-CG1 3.34Å; G90-V108 PolarHBondContact N-O 3.43Å; D91-V108 HydrophobicContact CB-CG2 4.21Å; D91-V108 PolarHBondContact O-N 2.82Å; I93-V108 HydrophobicContact CG1-CG2 3.81Å; V108-H112 HydrophobicContact CG1-CB 4.08Å; V108-H112 WeakPolarHBondContact CG1-O 3.5Å; V108-W114 HydrophobicContact CG2-CB 3.84Å; V108-P131 HydrophobicContact CG1-CB 4.21Å
109	P	97.5	Very high	89.4	Confident	59 Å²	59	64.9 Å²	64.9	38%	0.383	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.2	161.9	178.8	-21.8	33.1	0	0	0	112.7	Y107 H112 P131	Y107-P109 WeakPolarHBondContact O-CD 3.29Å; P109-H112 HydrophobicContact CB-CB 4.39Å; P109-H112 WeakPolarHBondContact O-CB 3.43Å; P109-H112 PolarHBondContact O-N 2.8Å; P109-H112 VanDerWaalsContact O-N 3.14Å; P109-P131 VanDerWaalsContact CD-CG 3.46Å; P109-P131 HydrophobicContact CG-CG 4.15Å
110	M	97	Very high	90.2	Very high	140 Å²	140	63.2 Å²	63.2	69%	0.69	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	139.7	172.4	-62	-62.3	159.4	0	0	111.2	E89 H112	E89-M110 HydrophobicContact CB-SD 4.05Å; E89-M110 HydrophobicContact CG-SD 4.39Å; M110-H112 PolarHBondContact O-N 3.19Å; M110-H112 PolarHBondContact O-ND1 3.47Å
111	G	96.6	Very high	90.8	Very high	37 Å²	37	71.3 Å²	71.3	38%	0.381	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	11.4	-176.3	0	0	0	0	0	115.1	E89 Y134	E89-G111 PolarHBondContact OE2-N 2.86Å; G111-Y134 WeakPolarHBondContact O-CB 3.1Å; G111-Y134 PolarHBondContact O-N 2.89Å
112	H	97.7	Very high	91.7	Very high	54 Å²	54	68.2 Å²	68.2	25%	0.25	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	163.1	177.4	-68	64.1	0	0	0	112	E89 V108 P109 M110 P131 I132	E89-H112 PolarHBondContact N-O 2.88Å; V108-H112 HydrophobicContact CG1-CB 4.08Å; V108-H112 WeakPolarHBondContact CG1-O 3.5Å; P109-H112 HydrophobicContact CB-CB 4.39Å; P109-H112 WeakPolarHBondContact O-CB 3.43Å; P109-H112 PolarHBondContact O-N 2.8Å; P109-H112 VanDerWaalsContact O-N 3.14Å; M110-H112 PolarHBondContact O-N 3.19Å; M110-H112 PolarHBondContact O-ND1 3.47Å; H112-P131 HydrophobicContact CB-CB 4.11Å; H112-I132 CarbonylContact C-O 3.54Å; H112-I132 WeakPolarHBondContact CA-O 3.46Å; H112-I132 WeakPolarHBondContact CB-O 3.29Å
113	V	97.3	Very high	92.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.8	175.4	-63.8	0	0	0	0	110.3	L88 L115 P131 I132 Y134 I137	L88-V113 HydrophobicContact CD2-CG1 3.94Å; V113-L115 HydrophobicContact CB-CD2 4.25Å; V113-L115 HydrophobicContact CG2-CD1 4.32Å; V113-L115 HydrophobicContact CG2-CD2 3.86Å; V113-L115 HydrophobicContact CG2-CG 3.93Å; V113-P131 WeakPolarHBondContact O-CA 3.42Å; V113-I132 HydrophobicContact CG2-CG1 3.85Å; V113-I132 PolarHBondContact N-O 3.16Å; V113-I132 PolarHBondContact O-N 2.78Å; V113-Y134 HydrophobicContact CG1-CD2 3.7Å; V113-Y134 HydrophobicContact CG1-CE2 4.43Å; V113-I137 HydrophobicContact CG1-CD1 4.2Å; V113-I137 HydrophobicContact CG2-CD1 4.07Å; V113-I137 HydrophobicContact CG2-CG1 4.45Å
114	W	97.2	Very high	93.2	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.8	171.3	-169.7	-77.3	0	0	0	109.6	I86 G87 I93 T95 T106 V108 E116 S126 R127 P131	I86-W114 PolarHBondContact N-O 3.5Å; G87-W114 PolarHBondContact N-O 3.21Å; G87-W114 PolarHBondContact O-N 2.85Å; I93-W114 HydrophobicContact CB-CD2 4.42Å; I93-W114 HydrophobicContact CG1-CB 4.26Å; I93-W114 HydrophobicContact CG1-CD2 4.29Å; I93-W114 HydrophobicContact CG1-CG 4.12Å; I93-W114 HydrophobicContact CG2-CD2 4.15Å; I93-W114 HydrophobicContact CG2-CG 4.33Å; I93-W114 HydrophobicContact CG2-CZ2 4.35Å; T95-W114 HydrophobicContact CG2-CH2 3.53Å; T95-W114 HydrophobicContact CG2-CZ2 3.73Å; T95-W114 HydrophobicContact CG2-CZ3 4.44Å; T106-W114 HydrophobicContact CG2-CZ3 3.95Å; V108-W114 HydrophobicContact CG2-CB 3.84Å; W114-E116 PolarHBondContact NE1-OE1 3.3Å; W114-S126 VanDerWaalsContact CH2-O 3.29Å; W114-S126 WeakPolarHBondContact CH2-O 3.15Å; W114-S126 WeakPolarHBondContact CZ2-O 3.27Å; W114-R127 HydrophobicContact CZ2-CG 4.24Å; W114-P131 HydrophobicContact CE3-CB 4.11Å; W114-P131 HydrophobicContact CE3-CG 4.47Å
115	L	96.3	Very high	93.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.2	-177.2	-55.3	-173.9	0	0	0	111.4	V69 A71 K83 R84 V85 V113 D125 S126 I132	V69-L115 HydrophobicContact CG2-CD1 3.83Å; V69-L115 HydrophobicContact CG2-CD2 3.69Å; V69-L115 HydrophobicContact CG2-CG 4.44Å; A71-L115 HydrophobicContact CB-CD1 4.2Å; K83-L115 HydrophobicContact CB-CB 3.72Å; K83-L115 HydrophobicContact CB-CD1 4.28Å; K83-L115 HydrophobicContact CG-CB 4.28Å; R84-L115 CarbonylContact O-C 3.52Å; R84-L115 VanDerWaalsContact O-CA 3.28Å; R84-L115 WeakPolarHBondContact O-CA 3.49Å; V85-L115 HydrophobicContact CB-CD2 4.2Å; V85-L115 HydrophobicContact CG2-CD2 3.63Å; V113-L115 HydrophobicContact CB-CD2 4.25Å; V113-L115 HydrophobicContact CG2-CD1 4.32Å; V113-L115 HydrophobicContact CG2-CD2 3.86Å; V113-L115 HydrophobicContact CG2-CG 3.93Å; L115-D125 WeakPolarHBondContact O-CB 3.49Å; L115-S126 WeakPolarHBondContact CA-OG 3.22Å; L115-S126 PolarHBondContact N-OG 2.95Å; L115-S126 WeakPolarHBondContact O-CB 3.19Å; L115-S126 PolarHBondContact O-N 2.93Å; L115-S126 PolarHBondContact O-OG 3Å; L115-I132 HydrophobicContact CD1-CD1 3.58Å; L115-I132 HydrophobicContact CD1-CG1 4.14Å; L115-I132 HydrophobicContact CG-CD1 4.39Å; L115-I132 HydrophobicContact CG-CG1 4.45Å
116	E	95.1	Very high	94.3	Very high	7 Å²	7	50.6 Å²	50.6	3%	0.033	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152	172.6	-60.8	-172.6	179.1	0	0	111.3	R84 I86 W114 R127 R161	R84-E116 PolarHBondContact N-O 3.47Å; R84-E116 PolarHBondContact O-N 3.16Å; I86-E116 HydrophobicContact CD1-CB 4.32Å; I86-E116 HydrophobicContact CG1-CB 3.63Å; I86-E116 HydrophobicContact CG1-CG 3.72Å; W114-E116 PolarHBondContact NE1-OE1 3.3Å; E116-R127 HydrophobicContact CG-CG 4.28Å; E116-R127 WeakPolarHBondContact OE1-CG 3.15Å; E116-R161 IonicContact OE2-NH1 2.78Å; E116-R161 PolarHBondContact OE2-NH1 2.85Å
117	G	94.7	Very high	94.4	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	26%	0.256	C	S	.	.			trans	-80.9	146.9	169.7	0	0	0	0	0	111.4	S40 N119 S123 D125	S40-G117 CarbonylContact O-C 3.35Å; S40-G117 WeakPolarHBondContact O-CA 3.41Å; G117-N119 PolarHBondContact O-N 2.8Å; G117-S123 WeakPolarHBondContact CA-OG 3.4Å; G117-S123 PolarHBondContact N-OG 3.28Å; G117-D125 PolarHBondContact N-OD2 2.81Å
118	D	93.2	Very high	94.3	Very high	14 Å²	14	50.4 Å²	50.4	8%	0.075	26%	0.256	C	S	.	.	S	Bend	trans	-64.1	-28.1	174	-70.8	-32.8	0	0	0	111.6	S40 M41 E42 T44 R84 L120 P158	S40-D118 PolarHBondContact O-N 2.86Å; S40-D118 VanDerWaalsContact O-N 3.15Å; M41-D118 WeakPolarHBondContact CE-OD2 3.44Å; E42-D118 CarbonylContact O-C 3.24Å; T44-D118 WeakPolarHBondContact CB-OD2 3.34Å; T44-D118 PolarHBondContact OG1-OD2 3.06Å; T44-D118 VanDerWaalsContact OG1-OD2 3.08Å; R84-D118 IonicContact CZ-OD1 2.77Å; R84-D118 IonicContact CZ-OD2 2.7Å; R84-D118 IonicContact NE-OD1 3.7Å; R84-D118 PolarHBondContact NE-OD1 2.88Å; R84-D118 IonicContact NE-OD2 3.43Å; R84-D118 PolarHBondContact NE-OD2 2.83Å; R84-D118 IonicContact NH2-OD1 2.77Å; R84-D118 IonicContact NH2-OD2 3.8Å; R84-D118 PolarHBondContact NH2-OD2 2.8Å; D118-L120 PolarHBondContact O-N 3.24Å; D118-P158 HydrophobicContact CB-CG 4.02Å
119	N	92.8	Very high	94.2	Very high	34 Å²	34	52.3 Å²	52.3	18%	0.182	26%	0.263	C	S	.	.			trans	-87.1	82.6	170.9	-168.3	-17.2	0	0	0	110.7	P39 S40 E42 G117 R121 N122 S123	P39-N119 WeakPolarHBondContact O-CB 3.47Å; P39-N119 PolarHBondContact O-ND2 3.2Å; P39-N119 VanDerWaalsContact O-ND2 3.08Å; S40-N119 WeakPolarHBondContact O-CB 3.07Å; S40-N119 PolarHBondContact O-N 3.26Å; E42-N119 HydrophobicContact CB-CB 4.36Å; E42-N119 WeakPolarHBondContact O-CA 3.27Å; E42-N119 WeakPolarHBondContact O-CB 3.44Å; E42-N119 PolarHBondContact O-N 2.86Å; E42-N119 VanDerWaalsContact O-N 3.15Å; G117-N119 PolarHBondContact O-N 2.8Å; N119-R121 PolarHBondContact O-N 3.28Å; N119-R121 PolarHBondContact OD1-N 3.3Å; N119-N122 CarbonylContact O-C 3.55Å; N119-N122 PolarHBondContact O-N 3.44Å; N119-N122 PolarHBondContact OD1-N 3.38Å; N119-S123 VanDerWaalsContact O-CB 3.26Å; N119-S123 WeakPolarHBondContact O-CB 3.33Å; N119-S123 PolarHBondContact O-N 3.35Å
120	L	87.7	Confident	94.1	Very high	64 Å²	64	50.4 Å²	50.4	34%	0.335	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.7	-176.2	-66.6	176.7	0	0	0	114.3	D118 R127	D118-L120 PolarHBondContact O-N 3.24Å; L120-R127 PolarHBondContact O-NH1 3.25Å; L120-R127 PolarHBondContact O-NH2 3.08Å
121	R	88.4	Confident	94.1	Very high	247 Å²	247	45.3 Å²	45.3	93%	0.932	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-24.7	-178.9	-67.4	-176.5	177.2	-179.2	-0.7	113	N119	N119-R121 PolarHBondContact O-N 3.28Å; N119-R121 PolarHBondContact OD1-N 3.3Å
122	N	91.6	Very high	94.1	Very high	95 Å²	95	43.8 Å²	43.8	51%	0.508	21%	0.214	S	C	.	.	S	Bend	trans	-134.1	58.9	-173.7	-160.4	-1.7	0	0	0	111.4	P39 S40 N119	P39-N122 HydrophobicContact CG-CB 4.29Å; P39-N122 WeakPolarHBondContact CG-ND2 3.42Å; S40-N122 VanDerWaalsContact CA-O 3.26Å; S40-N122 WeakPolarHBondContact CA-O 3.29Å; S40-N122 WeakPolarHBondContact CB-O 3.06Å; N119-N122 CarbonylContact O-C 3.55Å; N119-N122 PolarHBondContact O-N 3.44Å; N119-N122 PolarHBondContact OD1-N 3.38Å
123	S	92	Very high	94.1	Very high	14 Å²	14	43.7 Å²	43.7	10%	0.098	22%	0.218	C	C	.	.			trans	-145.5	121.8	179.4	176.4	0	0	0	0	109.9	K83 G117 N119 D125 R127	K83-S123 PolarHBondContact NZ-OG 2.78Å; G117-S123 WeakPolarHBondContact CA-OG 3.4Å; G117-S123 PolarHBondContact N-OG 3.28Å; N119-S123 VanDerWaalsContact O-CB 3.26Å; N119-S123 WeakPolarHBondContact O-CB 3.33Å; N119-S123 PolarHBondContact O-N 3.35Å; S123-D125 VanDerWaalsContact CB-OD2 3.26Å; S123-D125 WeakPolarHBondContact CB-OD2 3.31Å; S123-D125 PolarHBondContact OG-OD2 3.3Å; S123-R127 PolarHBondContact O-NH2 2.9Å
124	T	93.9	Very high	94.1	Very high	86 Å²	86	44.9 Å²	44.9	53%	0.528	22%	0.223	S	C	.	.			trans	-84.9	111.6	161.7	-52.5	0	0	0	0	107.9	F75 K83 N128 Y129	F75-T124 HydrophobicContact CD2-CG2 4.44Å; F75-T124 HydrophobicContact CE2-CG2 4.03Å; K83-T124 VanDerWaalsContact CE-O 3.31Å; K83-T124 WeakPolarHBondContact CE-O 3.36Å; K83-T124 PolarHBondContact NZ-O 2.75Å; T124-N128 WeakPolarHBondContact CA-OD1 3.49Å; T124-N128 HydrophobicContact CG2-CB 4.26Å; T124-Y129 HydrophobicContact CG2-CD1 4.48Å
125	D	95.4	Very high	94.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-148.1	-161.4	-173.1	60.1	44	0	0	0	112.5	K83 L115 G117 S123 R127 N128 Y129	K83-D125 HydrophobicContact CD-CB 4.06Å; L115-D125 WeakPolarHBondContact O-CB 3.49Å; G117-D125 PolarHBondContact N-OD2 2.81Å; S123-D125 VanDerWaalsContact CB-OD2 3.26Å; S123-D125 WeakPolarHBondContact CB-OD2 3.31Å; S123-D125 PolarHBondContact OG-OD2 3.3Å; D125-R127 PolarHBondContact O-N 3.05Å; D125-R127 WeakPolarHBondContact OD1-CB 3.32Å; D125-R127 WeakPolarHBondContact OD1-CG 3.41Å; D125-R127 IonicContact OD1-CZ 2.82Å; D125-R127 PolarHBondContact OD1-N 3.46Å; D125-R127 VanDerWaalsContact OD1-N 3.1Å; D125-R127 IonicContact OD1-NE 3.43Å; D125-R127 PolarHBondContact OD1-NE 3.15Å; D125-R127 IonicContact OD1-NH2 2.66Å; D125-R127 IonicContact OD2-CZ 3.25Å; D125-R127 IonicContact OD2-NE 3.17Å; D125-R127 PolarHBondContact OD2-NE 2.79Å; D125-R127 IonicContact OD2-NH2 3.46Å; D125-R127 PolarHBondContact OD2-NH2 2.93Å; D125-N128 PolarHBondContact N-OD1 2.89Å; D125-N128 WeakPolarHBondContact O-CA 3.36Å; D125-N128 WeakPolarHBondContact O-CB 3.45Å; D125-N128 PolarHBondContact O-N 2.89Å; D125-Y129 VanDerWaalsContact CA-CZ 3.45Å; D125-Y129 WeakPolarHBondContact CA-OH 3.29Å; D125-Y129 WeakPolarHBondContact O-CD1 3.42Å; D125-Y129 VanDerWaalsContact O-CE1 3.27Å; D125-Y129 WeakPolarHBondContact O-CE1 3.49Å; D125-Y129 PolarHBondContact O-N 2.66Å; D125-Y129 VanDerWaalsContact O-N 3.14Å
126	S	95.6	Very high	94.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-18.1	-173.9	-55	0	0	0	0	113.1	W114 L115 N128 Y129 G130	W114-S126 VanDerWaalsContact CH2-O 3.29Å; W114-S126 WeakPolarHBondContact CH2-O 3.15Å; W114-S126 WeakPolarHBondContact CZ2-O 3.27Å; L115-S126 WeakPolarHBondContact CA-OG 3.22Å; L115-S126 PolarHBondContact N-OG 2.95Å; L115-S126 WeakPolarHBondContact O-CB 3.19Å; L115-S126 PolarHBondContact O-N 2.93Å; L115-S126 PolarHBondContact O-OG 3Å; S126-N128 PolarHBondContact O-N 2.88Å; S126-Y129 VanDerWaalsContact CA-CE2 3.49Å; S126-Y129 WeakPolarHBondContact OG-CE2 3.41Å; S126-G130 VanDerWaalsContact CA-O 3.27Å; S126-G130 WeakPolarHBondContact CA-O 3.08Å; S126-G130 WeakPolarHBondContact CB-O 3.28Å; S126-G130 WeakPolarHBondContact O-CA 3.04Å; S126-G130 PolarHBondContact O-N 3.17Å; S126-G130 PolarHBondContact OG-O 3.23Å
127	R	92.2	Very high	94.2	Very high	90 Å²	90	49.8 Å²	49.8	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-24.9	170	-61.4	172.2	-66.2	158.1	1.1	112.4	W114 E116 L120 S123 D125	W114-R127 HydrophobicContact CZ2-CG 4.24Å; E116-R127 HydrophobicContact CG-CG 4.28Å; E116-R127 WeakPolarHBondContact OE1-CG 3.15Å; L120-R127 PolarHBondContact O-NH1 3.25Å; L120-R127 PolarHBondContact O-NH2 3.08Å; S123-R127 PolarHBondContact O-NH2 2.9Å; D125-R127 PolarHBondContact O-N 3.05Å; D125-R127 WeakPolarHBondContact OD1-CB 3.32Å; D125-R127 WeakPolarHBondContact OD1-CG 3.41Å; D125-R127 IonicContact OD1-CZ 2.82Å; D125-R127 PolarHBondContact OD1-N 3.46Å; D125-R127 VanDerWaalsContact OD1-N 3.1Å; D125-R127 IonicContact OD1-NE 3.43Å; D125-R127 PolarHBondContact OD1-NE 3.15Å; D125-R127 IonicContact OD1-NH2 2.66Å; D125-R127 IonicContact OD2-CZ 3.25Å; D125-R127 IonicContact OD2-NE 3.17Å; D125-R127 PolarHBondContact OD2-NE 2.79Å; D125-R127 IonicContact OD2-NH2 3.46Å; D125-R127 PolarHBondContact OD2-NH2 2.93Å
128	N	92.5	Very high	94.2	Very high	104 Å²	104	54.8 Å²	54.8	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-98.3	-43.5	179	-57	101.9	0	0	0	112.7	T124 D125 S126	T124-N128 WeakPolarHBondContact CA-OD1 3.49Å; T124-N128 HydrophobicContact CG2-CB 4.26Å; D125-N128 PolarHBondContact N-OD1 2.89Å; D125-N128 WeakPolarHBondContact O-CA 3.36Å; D125-N128 WeakPolarHBondContact O-CB 3.45Å; D125-N128 PolarHBondContact O-N 2.89Å; S126-N128 PolarHBondContact O-N 2.88Å
129	Y	93.9	Very high	94.3	Very high	42 Å²	42	54.1 Å²	54.1	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-108.4	-2.5	-174.2	52.9	-113.2	0	0	0	114.9	P74 F75 I81 T124 D125 S126 I132	P74-Y129 HydrophobicContact CG-CD1 3.82Å; P74-Y129 HydrophobicContact CG-CD2 3.75Å; P74-Y129 HydrophobicContact CG-CE1 4.05Å; P74-Y129 HydrophobicContact CG-CE2 4.06Å; P74-Y129 HydrophobicContact CG-CG 3.66Å; F75-Y129 HydrophobicContact CD2-CD1 4.08Å; F75-Y129 AromaticContact CE2-CD1 3.6Å; F75-Y129 HydrophobicContact CE2-CD1 3.6Å; F75-Y129 HydrophobicContact CE2-CG 4.15Å; F75-Y129 HydrophobicContact CZ-CD1 4.32Å; F75-Y129 HydrophobicContact CZ-CG 4.45Å; I81-Y129 WeakPolarHBondContact CD1-OH 3.06Å; T124-Y129 HydrophobicContact CG2-CD1 4.48Å; D125-Y129 VanDerWaalsContact CA-CZ 3.45Å; D125-Y129 WeakPolarHBondContact CA-OH 3.29Å; D125-Y129 WeakPolarHBondContact O-CD1 3.42Å; D125-Y129 VanDerWaalsContact O-CE1 3.27Å; D125-Y129 WeakPolarHBondContact O-CE1 3.49Å; D125-Y129 PolarHBondContact O-N 2.66Å; D125-Y129 VanDerWaalsContact O-N 3.14Å; S126-Y129 VanDerWaalsContact CA-CE2 3.49Å; S126-Y129 WeakPolarHBondContact OG-CE2 3.41Å; Y129-I132 HydrophobicContact CD2-CG2 3.57Å; Y129-I132 HydrophobicContact CE2-CG2 3.37Å
130	G	95	Very high	94.5	Very high	19 Å²	19	55.3 Å²	55.3	20%	0.196	28%	0.276	C	S	.	.			trans	80.8	-171.7	-176.3	0	0	0	0	0	113.7	S126	S126-G130 VanDerWaalsContact CA-O 3.27Å; S126-G130 WeakPolarHBondContact CA-O 3.08Å; S126-G130 WeakPolarHBondContact CB-O 3.28Å; S126-G130 WeakPolarHBondContact O-CA 3.04Å; S126-G130 PolarHBondContact O-N 3.17Å; S126-G130 PolarHBondContact OG-O 3.23Å
131	P	96.5	Very high	94.9	Very high	34 Å²	34	52.5 Å²	52.5	22%	0.221	26%	0.262	C	S	.	.			trans	-68.5	147.6	176.9	30	-32.3	0	0	0	110.5	V108 P109 H112 V113 W114	V108-P131 HydrophobicContact CG1-CB 4.21Å; P109-P131 VanDerWaalsContact CD-CG 3.46Å; P109-P131 HydrophobicContact CG-CG 4.15Å; H112-P131 HydrophobicContact CB-CB 4.11Å; V113-P131 WeakPolarHBondContact O-CA 3.42Å; W114-P131 HydrophobicContact CE3-CB 4.11Å; W114-P131 HydrophobicContact CE3-CG 4.47Å
132	I	97.5	Very high	95.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.4	-179.3	66.9	166.8	0	0	0	111.8	A71 P74 H112 V113 L115 Y129 Y134 L136	A71-I132 HydrophobicContact CB-CD1 4.09Å; P74-I132 HydrophobicContact CB-CG2 4.24Å; P74-I132 HydrophobicContact CG-CG2 4.01Å; H112-I132 CarbonylContact C-O 3.54Å; H112-I132 WeakPolarHBondContact CA-O 3.46Å; H112-I132 WeakPolarHBondContact CB-O 3.29Å; V113-I132 HydrophobicContact CG2-CG1 3.85Å; V113-I132 PolarHBondContact N-O 3.16Å; V113-I132 PolarHBondContact O-N 2.78Å; L115-I132 HydrophobicContact CD1-CD1 3.58Å; L115-I132 HydrophobicContact CD1-CG1 4.14Å; L115-I132 HydrophobicContact CG-CD1 4.39Å; L115-I132 HydrophobicContact CG-CG1 4.45Å; Y129-I132 HydrophobicContact CD2-CG2 3.57Å; Y129-I132 HydrophobicContact CE2-CG2 3.37Å; I132-Y134 PolarHBondContact O-N 3.48Å; I132-L136 HydrophobicContact CB-CD1 4.27Å; I132-L136 HydrophobicContact CD1-CB 4.25Å; I132-L136 HydrophobicContact CD1-CD1 4.41Å
133	P	97.6	Very high	95.1	Very high	52 Å²	52	43.4 Å²	43.4	34%	0.338	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.7	176.2	-23.5	32.5	0	0	0	111.5	A135 L136	P133-A135 HydrophobicContact CB-CB 4.47Å; P133-A135 PolarHBondContact O-N 3.37Å; P133-L136 HydrophobicContact CB-CG 4.47Å; P133-L136 WeakPolarHBondContact O-CB 3.35Å; P133-L136 PolarHBondContact O-N 3.13Å
134	Y	97.4	Very high	95.2	Very high	27 Å²	27	43.6 Å²	43.6	11%	0.106	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.7	-32	174	-170.6	-82.7	0	0	0	111.7	R58 F61 I63 G111 V113 I132 L136 I137	R58-Y134 HydrophobicContact CG-CE1 4.36Å; R58-Y134 PolarHBondContact NH1-O 3.26Å; F61-Y134 WeakPolarHBondContact CA-OH 2.92Å; F61-Y134 HydrophobicContact CD1-CD1 4.16Å; F61-Y134 AromaticContact CD1-CE1 3.78Å; F61-Y134 HydrophobicContact CD1-CE1 3.78Å; F61-Y134 HydrophobicContact CE1-CD1 4.09Å; F61-Y134 HydrophobicContact CE1-CE1 4.07Å; I63-Y134 HydrophobicContact CB-CE2 3.9Å; I63-Y134 HydrophobicContact CG1-CE2 4.06Å; I63-Y134 WeakPolarHBondContact CG1-OH 3.39Å; G111-Y134 WeakPolarHBondContact O-CB 3.1Å; G111-Y134 PolarHBondContact O-N 2.89Å; V113-Y134 HydrophobicContact CG1-CD2 3.7Å; V113-Y134 HydrophobicContact CG1-CE2 4.43Å; I132-Y134 PolarHBondContact O-N 3.48Å; Y134-L136 PolarHBondContact O-N 3.11Å; Y134-L136 VanDerWaalsContact O-N 3.12Å; Y134-I137 HydrophobicContact CD2-CD1 3.87Å; Y134-I137 HydrophobicContact CE2-CD1 3.97Å; Y134-I137 HydrophobicContact CG-CD1 4.18Å; Y134-I137 VanDerWaalsContact O-CB 3.31Å; Y134-I137 WeakPolarHBondContact O-CB 3.34Å; Y134-I137 WeakPolarHBondContact O-CG1 3.26Å; Y134-I137 PolarHBondContact O-N 3.23Å
135	A	96.2	Very high	95.2	Very high	69 Å²	69	41.3 Å²	41.3	57%	0.57	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-57.3	-25.5	177.1	0	0	0	0	0	114.1	R58 P133 I137	R58-A135 PolarHBondContact NH1-O 3.14Å; P133-A135 HydrophobicContact CB-CB 4.47Å; P133-A135 PolarHBondContact O-N 3.37Å; A135-I137 VanDerWaalsContact C-N 3.33Å
136	L	97.2	Very high	95	Very high	48 Å²	48	48 Å²	48	25%	0.251	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-76	-18.7	177.5	-64.6	-173.6	0	0	0	113.4	A71 K72 I132 P133 Y134 R138	A71-L136 CarbonylContact C-O 3.53Å; A71-L136 VanDerWaalsContact CA-O 3.26Å; A71-L136 WeakPolarHBondContact CA-O 3.34Å; K72-L136 HydrophobicContact CB-CB 4.38Å; K72-L136 HydrophobicContact CB-CD2 4.19Å; K72-L136 PolarHBondContact N-O 2.92Å; I132-L136 HydrophobicContact CB-CD1 4.27Å; I132-L136 HydrophobicContact CD1-CB 4.25Å; I132-L136 HydrophobicContact CD1-CD1 4.41Å; P133-L136 HydrophobicContact CB-CG 4.47Å; P133-L136 WeakPolarHBondContact O-CB 3.35Å; P133-L136 PolarHBondContact O-N 3.13Å; Y134-L136 PolarHBondContact O-N 3.11Å; Y134-L136 VanDerWaalsContact O-N 3.12Å; L136-R138 PolarHBondContact O-N 3.14Å
137	I	97.1	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	133	172.4	-61.2	173.6	0	0	0	108.1	R58 V69 V113 Y134 A135	R58-I137 HydrophobicContact CB-CG2 4.42Å; R58-I137 WeakPolarHBondContact CD-O 3.5Å; R58-I137 PolarHBondContact NE-O 2.99Å; R58-I137 PolarHBondContact NH1-O 2.84Å; V69-I137 HydrophobicContact CB-CG2 4.12Å; V69-I137 HydrophobicContact CG1-CG2 4.22Å; V69-I137 HydrophobicContact CG2-CG1 4.5Å; V113-I137 HydrophobicContact CG1-CD1 4.2Å; V113-I137 HydrophobicContact CG2-CD1 4.07Å; V113-I137 HydrophobicContact CG2-CG1 4.45Å; Y134-I137 HydrophobicContact CD2-CD1 3.87Å; Y134-I137 HydrophobicContact CE2-CD1 3.97Å; Y134-I137 HydrophobicContact CG-CD1 4.18Å; Y134-I137 VanDerWaalsContact O-CB 3.31Å; Y134-I137 WeakPolarHBondContact O-CB 3.34Å; Y134-I137 WeakPolarHBondContact O-CG1 3.26Å; Y134-I137 PolarHBondContact O-N 3.23Å; A135-I137 VanDerWaalsContact C-N 3.33Å
138	R	95.4	Very high	94.4	Very high	107 Å²	107	50.9 Å²	50.9	40%	0.404	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-41.7	175.2	-65.3	-56.5	-152.2	136.9	13.9	111.5	I70 K72 L136	I70-R138 HydrophobicContact CG2-CB 4.4Å; I70-R138 WeakPolarHBondContact O-CA 3.41Å; I70-R138 WeakPolarHBondContact O-CB 3.29Å; I70-R138 PolarHBondContact O-N 3.4Å; K72-R138 VanDerWaalsContact NZ-NH2 3.17Å; L136-R138 PolarHBondContact O-N 3.14Å
139	G	95.3	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	166.7	178.6	0	0	0	0	0	111.8	S53 E54 V69 I70	S53-G139 WeakPolarHBondContact OG-CA 3.46Å; E54-G139 CarbonylContact O-C 3.45Å; E54-G139 WeakPolarHBondContact O-CA 3.35Å; V69-G139 WeakPolarHBondContact CA-O 3.34Å; I70-G139 PolarHBondContact N-O 2.92Å; I70-G139 PolarHBondContact O-N 3.28Å
140	R	96.2	Very high	93.5	Very high	58 Å²	58	53.8 Å²	53.8	22%	0.219	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.2	172.4	-176.2	173	62.9	164.6	1.7	109.7	S53 E54 S57 I63 D67 I68	S53-R140 CarbonylContact C-O 3.51Å; S53-R140 WeakPolarHBondContact CA-O 3.18Å; S53-R140 PolarHBondContact OG-O 3.22Å; E54-R140 HydrophobicContact CG-CB 4.45Å; E54-R140 PolarHBondContact N-O 2.91Å; E54-R140 PolarHBondContact O-N 2.85Å; E54-R140 WeakPolarHBondContact OE1-CB 3.2Å; E54-R140 IonicContact OE1-CZ 3.29Å; E54-R140 IonicContact OE1-NE 3.33Å; E54-R140 PolarHBondContact OE1-NE 2.81Å; E54-R140 IonicContact OE1-NH2 3.52Å; E54-R140 PolarHBondContact OE1-NH2 3.29Å; E54-R140 VanDerWaalsContact OE1-NH2 3.09Å; S57-R140 VanDerWaalsContact OG-CZ 3.3Å; S57-R140 PolarHBondContact OG-NE 3.07Å; S57-R140 PolarHBondContact OG-NH2 2.87Å; I63-R140 HydrophobicContact CD1-CB 3.64Å; I63-R140 HydrophobicContact CD1-CG 4.13Å; D67-R140 HydrophobicContact CB-CG 4.15Å; D67-R140 WeakPolarHBondContact OD1-CD 3.37Å; D67-R140 IonicContact OD1-NH1 3.98Å; D67-R140 PolarHBondContact OD1-NH1 3.1Å; D67-R140 WeakPolarHBondContact OD2-CD 3.44Å; D67-R140 IonicContact OD2-NE 2.72Å; D67-R140 IonicContact OD2-NH1 3.57Å; D67-R140 PolarHBondContact OD2-NH1 2.77Å; I68-R140 CarbonylContact O-C 3.41Å; I68-R140 WeakPolarHBondContact O-CA 3.5Å; I68-R140 WeakPolarHBondContact O-CG 3.29Å
141	V	95.6	Very high	93.2	Very high	6 Å²	6	58.7 Å²	58.7	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.3	173.8	-173.5	0	0	0	0	108.7	V51 F52 I68 I70 L154	V51-V141 HydrophobicContact CB-CG1 3.52Å; V51-V141 HydrophobicContact CG1-CG1 4.07Å; V51-V141 HydrophobicContact CG2-CG1 3.66Å; V51-V141 HydrophobicContact CG2-CG2 4.2Å; F52-V141 WeakPolarHBondContact O-CA 3.26Å; I68-V141 HydrophobicContact CB-CB 4.04Å; I68-V141 HydrophobicContact CB-CG2 4.5Å; I68-V141 HydrophobicContact CG2-CB 3.91Å; I68-V141 HydrophobicContact CG2-CG2 3.89Å; I68-V141 PolarHBondContact O-N 3.32Å; I70-V141 HydrophobicContact CD1-CG2 4.1Å; I70-V141 HydrophobicContact CG1-CG2 3.7Å; V141-L154 HydrophobicContact CG1-CD1 3.81Å
142	C	92.3	Very high	92.8	Very high	32 Å²	32	58.2 Å²	58.2	22%	0.216	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-32.8	-177.9	58.2	0	0	0	0	113.2	F52 E54 T153 L154	F52-C142 VanDerWaalsContact CD1-SG 3.56Å; F52-C142 PolarHBondContact O-N 2.72Å; F52-C142 VanDerWaalsContact O-N 3.16Å; E54-C142 HydrophobicContact CG-CB 4.38Å; C142-T153 WeakPolarHBondContact O-CA 3.37Å; C142-L154 PolarHBondContact O-N 3.43Å
143	W	92.6	Very high	92.2	Very high	119 Å²	119	62.8 Å²	62.8	45%	0.451	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.8	-179.3	-66.7	-41.2	0	0	0	112.7	V51 F52 L145	V51-W143 CarbonylContact C-O 3.54Å; V51-W143 VanDerWaalsContact CA-O 3.28Å; V51-W143 WeakPolarHBondContact CA-O 3.2Å; V51-W143 WeakPolarHBondContact CB-O 3.36Å; F52-W143 HydrophobicContact CB-CB 4.38Å; F52-W143 HydrophobicContact CD1-CE3 4.04Å; F52-W143 HydrophobicContact CD1-CZ3 4.46Å; F52-W143 PolarHBondContact N-O 3.46Å; W143-L145 HydrophobicContact CB-CD2 3.92Å
144	K	94.1	Very high	91.4	Very high	17 Å²	17	61.2 Å²	61.2	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.8	159.4	179	172.6	169.2	173.2	0	108.3	D49 S150 F151 G152 L154	D49-K144 VanDerWaalsContact OD1-CE 3.29Å; D49-K144 WeakPolarHBondContact OD1-CE 3.43Å; D49-K144 IonicContact OD1-NZ 3.68Å; D49-K144 PolarHBondContact OD1-NZ 3.06Å; D49-K144 VanDerWaalsContact OD1-NZ 3.17Å; D49-K144 WeakPolarHBondContact OD2-CE 3.26Å; D49-K144 IonicContact OD2-NZ 2.76Å; D49-K144 PolarHBondContact OD2-NZ 3.41Å; K144-S150 WeakPolarHBondContact CE-OG 3.5Å; K144-S150 PolarHBondContact NZ-OG 2.86Å; K144-F151 WeakPolarHBondContact O-CA 3.36Å; K144-F151 WeakPolarHBondContact O-CD2 3.45Å; K144-G152 PolarHBondContact N-O 3.05Å; K144-G152 PolarHBondContact O-N 3.19Å; K144-G152 VanDerWaalsContact O-N 3.16Å; K144-L154 HydrophobicContact CB-CD1 4.09Å; K144-L154 HydrophobicContact CB-CD2 3.83Å; K144-L154 HydrophobicContact CB-CG 4.06Å; K144-L154 HydrophobicContact CD-CD2 4.44Å
145	L	93.3	Very high	89.8	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.199	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-34.7	-172.1	-59.9	178.5	0	0	0	113	F33 V50 F52 W143 F151	F33-L145 HydrophobicContact CD1-CD1 3.39Å; F33-L145 HydrophobicContact CE1-CD1 3.3Å; V50-L145 PolarHBondContact O-N 3.36Å; F52-L145 HydrophobicContact CB-CD1 3.92Å; F52-L145 HydrophobicContact CB-CG 4.32Å; W143-L145 HydrophobicContact CB-CD2 3.92Å; L145-F151 HydrophobicContact CD2-CD2 4.05Å; L145-F151 HydrophobicContact CD2-CE2 3.54Å
146	W	92.6	Very high	88.3	Confident	142 Å²	142	69.5 Å²	69.5	54%	0.538	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.5	179.7	-168.6	-91	0	0	0	110.2	D49 V50 L148	D49-W146 WeakPolarHBondContact CA-O 3.49Å; V50-W146 HydrophobicContact CB-CB 3.71Å; V50-W146 HydrophobicContact CG2-CB 3.79Å; V50-W146 HydrophobicContact CG2-CG 4.4Å; V50-W146 PolarHBondContact N-O 2.78Å; V50-W146 VanDerWaalsContact N-O 3.13Å; V50-W146 PolarHBondContact O-N 3.29Å; W146-L148 HydrophobicContact CE3-CD1 4.39Å; W146-L148 HydrophobicContact CE3-CD2 4.06Å; W146-L148 HydrophobicContact CE3-CG 3.69Å; W146-L148 HydrophobicContact CH2-CD1 4.44Å; W146-L148 HydrophobicContact CH2-CG 4.42Å; W146-L148 HydrophobicContact CZ3-CD1 3.72Å; W146-L148 HydrophobicContact CZ3-CD2 4.19Å; W146-L148 HydrophobicContact CZ3-CG 3.51Å
147	P	88	Confident	86.6	Confident	26 Å²	26	68.7 Å²	68.7	17%	0.169	34%	0.343	C	S	.	.	S	Bend	cis	-73.9	147.8	-0.4	30	-33.9	0	0	0	113.3	D49 H149 S150 F151	D49-P147 WeakPolarHBondContact OD1-CD 3.37Å; P147-H149 WeakPolarHBondContact CB-CE1 3.43Å; P147-H149 WeakPolarHBondContact CG-CE1 3.26Å; P147-H149 PolarHBondContact O-N 3.06Å; P147-S150 WeakPolarHBondContact CD-OG 3.41Å; P147-S150 WeakPolarHBondContact CG-OG 3.12Å; P147-S150 CarbonylContact O-C 3.33Å; P147-S150 WeakPolarHBondContact O-CA 3.43Å; P147-S150 PolarHBondContact O-N 2.61Å; P147-S150 PolarHBondContact O-OG 3.4Å; P147-F151 PolarHBondContact O-N 3.36Å
148	L	85.8	Confident	84.9	Confident	124 Å²	124	71.9 Å²	71.9	65%	0.649	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.1	-170.3	-65.8	174.4	0	0	0	114.3	W146 S150 F151	W146-L148 HydrophobicContact CE3-CD1 4.39Å; W146-L148 HydrophobicContact CE3-CD2 4.06Å; W146-L148 HydrophobicContact CE3-CG 3.69Å; W146-L148 HydrophobicContact CH2-CD1 4.44Å; W146-L148 HydrophobicContact CH2-CG 4.42Å; W146-L148 HydrophobicContact CZ3-CD1 3.72Å; W146-L148 HydrophobicContact CZ3-CD2 4.19Å; W146-L148 HydrophobicContact CZ3-CG 3.51Å; L148-S150 PolarHBondContact O-N 2.82Å; L148-F151 WeakPolarHBondContact O-CB 3.33Å; L148-F151 PolarHBondContact O-N 2.84Å
149	H	85.8	Confident	83	Confident	171 Å²	171	68.7 Å²	68.7	79%	0.792	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.7	177.8	64	-100.7	0	0	0	113.6	P147	P147-H149 WeakPolarHBondContact CB-CE1 3.43Å; P147-H149 WeakPolarHBondContact CG-CE1 3.26Å; P147-H149 PolarHBondContact O-N 3.06Å
150	S	82.2	Confident	81.1	Confident	37 Å²	37	77 Å²	77	26%	0.259	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-120.4	23.3	178.7	61.3	0	0	0	0	111.6	K144 P147 L148 G152	K144-S150 WeakPolarHBondContact CE-OG 3.5Å; K144-S150 PolarHBondContact NZ-OG 2.86Å; P147-S150 WeakPolarHBondContact CD-OG 3.41Å; P147-S150 WeakPolarHBondContact CG-OG 3.12Å; P147-S150 CarbonylContact O-C 3.33Å; P147-S150 WeakPolarHBondContact O-CA 3.43Å; P147-S150 PolarHBondContact O-N 2.61Å; P147-S150 PolarHBondContact O-OG 3.4Å; L148-S150 PolarHBondContact O-N 2.82Å; S150-G152 PolarHBondContact O-N 3.01Å
151	F	88.6	Confident	79	Confident	122 Å²	122	78.3 Å²	78.3	54%	0.535	40%	0.397	S	S	.	.			trans	-61.6	131.9	172.7	174.2	-87.2	0	0	0	110.1	K144 L145 P147 L148	K144-F151 WeakPolarHBondContact O-CA 3.36Å; K144-F151 WeakPolarHBondContact O-CD2 3.45Å; L145-F151 HydrophobicContact CD2-CD2 4.05Å; L145-F151 HydrophobicContact CD2-CE2 3.54Å; P147-F151 PolarHBondContact O-N 3.36Å; L148-F151 WeakPolarHBondContact O-CB 3.33Å; L148-F151 PolarHBondContact O-N 2.84Å
152	G	87.3	Confident	77	Confident	24 Å²	24	80 Å²	80	25%	0.247	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	173.2	177.9	0	0	0	0	0	114.6	K144 S150	K144-G152 PolarHBondContact N-O 3.05Å; K144-G152 PolarHBondContact O-N 3.19Å; K144-G152 VanDerWaalsContact O-N 3.16Å; S150-G152 PolarHBondContact O-N 3.01Å
153	T	85.9	Confident	74.7	Confident	100 Å²	100	84 Å²	84	61%	0.613	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.5	171	45.9	0	0	0	0	110.9	C142	C142-T153 WeakPolarHBondContact O-CA 3.37Å
154	L	80.4	Confident	72.3	Confident	19 Å²	19	85.3 Å²	85.3	10%	0.099	43%	0.432	C	S	.	.			trans	-98.3	25.3	-176.3	-60.4	-178.3	0	0	0	114.3	T44 I45 V51 I68 R84 V141 C142 K144 E156	T44-L154 HydrophobicContact CG2-CD2 3.93Å; I45-L154 HydrophobicContact CD1-CD1 3.81Å; I45-L154 HydrophobicContact CG1-CD1 3.85Å; V51-L154 HydrophobicContact CG1-CD1 4.42Å; I68-L154 HydrophobicContact CD1-CB 3.74Å; I68-L154 HydrophobicContact CD1-CD1 3.96Å; I68-L154 HydrophobicContact CD1-CG 4.46Å; R84-L154 PolarHBondContact NH1-O 3.34Å; V141-L154 HydrophobicContact CG1-CD1 3.81Å; C142-L154 PolarHBondContact O-N 3.43Å; K144-L154 HydrophobicContact CB-CD1 4.09Å; K144-L154 HydrophobicContact CB-CD2 3.83Å; K144-L154 HydrophobicContact CB-CG 4.06Å; K144-L154 HydrophobicContact CD-CD2 4.44Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.15Å
155	S	65.1	Low	69.9	Low	93 Å²	93	88 Å²	88	65%	0.65	45%	0.45	S	S	*	.			trans	-70	-28.6	-174.9	-176.5	0	0	0	0	112.9	S157	S155-S157 PolarHBondContact O-N 2.96Å
156	E	64.1	Low	67.6	Low	177 Å²	177	93.6 Å²	93.6	83%	0.827	48%	0.475	S	S	*	.			trans	-79.2	123.9	178.3	-64.9	-167.3	176.2	0	0	111.3	R84 L154	R84-E156 PolarHBondContact NH2-O 2.86Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.15Å
157	S	61.8	Low	64.9	Low	31 Å²	31	91 Å²	91	22%	0.217	48%	0.475	C	S	.	.			trans	-83.6	132.3	168.3	-177.6	0	0	0	0	109.9	R84 S155 T159	R84-S157 WeakPolarHBondContact CD-OG 3.28Å; R84-S157 PolarHBondContact NE-OG 3.46Å; S155-S157 PolarHBondContact O-N 2.96Å; S157-T159 PolarHBondContact O-N 3.18Å; S157-T159 PolarHBondContact OG-N 3.47Å
158	P	60.6	Low	62.8	Low	66 Å²	66	95.1 Å²	95.1	43%	0.429	50%	0.496	S	S	.	.	S	Bend	trans	-66.4	-19.4	173.2	28.2	-34	0	0	0	111.8	P43 T44 D118	P43-P158 HydrophobicContact CG-CB 4.48Å; T44-P158 VanDerWaalsContact OG1-CD 3.32Å; T44-P158 WeakPolarHBondContact OG1-CD 3.17Å; T44-P158 WeakPolarHBondContact OG1-CG 3.43Å; D118-P158 HydrophobicContact CB-CG 4.02Å
159	T	56.4	Low	60.9	Low	40 Å²	40	93.3 Å²	93.3	25%	0.245	49%	0.494	C	S	.	.			trans	-96.1	109.2	-177.7	-51.3	0	0	0	0	109.7	S157 R161 I162	S157-T159 PolarHBondContact O-N 3.18Å; S157-T159 PolarHBondContact OG-N 3.47Å; T159-R161 HydrophobicContact CG2-CB 3.54Å; T159-R161 PolarHBondContact O-N 3.29Å; T159-I162 PolarHBondContact O-N 3.12Å
160	K	54.7	Low	58.8	Low	176 Å²	176	92 Å²	92	77%	0.765	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-1.1	172.6	-66.4	-175.8	179.3	-178	0	114.8	I162 I163	K160-I162 PolarHBondContact O-N 3.08Å; K160-I163 PolarHBondContact O-N 3.33Å
161	R	52.3	Low	56.8	Low	84 Å²	84	94.1 Å²	94.1	32%	0.317	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-29.4	178.3	-175.1	-179.9	-88.8	-173.8	-10.9	112	E116 T159 I163 K164 T165	E116-R161 IonicContact OE2-NH1 2.78Å; E116-R161 PolarHBondContact OE2-NH1 2.85Å; T159-R161 HydrophobicContact CG2-CB 3.54Å; T159-R161 PolarHBondContact O-N 3.29Å; R161-I163 PolarHBondContact O-N 3.41Å; R161-K164 PolarHBondContact O-N 3.41Å; R161-T165 PolarHBondContact O-OG1 2.98Å
162	I	52.9	Low	54.3	Low	42 Å²	42	99.4 Å²	99.4	22%	0.215	54%	0.541	C	S	.	.	H	α-helix	trans	-63	-33.9	176.6	-53.8	-168.4	0	0	0	111.4	T159 K160	T159-I162 PolarHBondContact O-N 3.12Å; K160-I162 PolarHBondContact O-N 3.08Å
163	I	45.2	Very low	52.7	Low	116 Å²	116	103.2 Å²	103.2	60%	0.595	56%	0.556	S	S	*	*	H	α-helix	trans	-79.2	-33.3	-175.5	-56.6	173.4	0	0	0	111.6	K160 R161 T165 Q166 T167	K160-I163 PolarHBondContact O-N 3.33Å; R161-I163 PolarHBondContact O-N 3.41Å; I163-T165 PolarHBondContact O-N 2.82Å; I163-Q166 PolarHBondContact O-N 3.05Å; I163-T167 PolarHBondContact O-OG1 3.48Å
164	K	40.7	Very low	50.9	Low	146 Å²	146	103.3 Å²	103.3	64%	0.635	55%	0.553	S	S	*	*	H	α-helix	trans	-70.4	-31.2	-175.1	-96.8	-171.9	171.7	-173.3	0	114.2	R161 Q166 T167	R161-K164 PolarHBondContact O-N 3.41Å; K164-Q166 PolarHBondContact O-N 2.86Å; K164-Q166 VanDerWaalsContact O-N 3.14Å; K164-T167 PolarHBondContact O-N 3.36Å
165	T	45.3	Very low	49.3	Very low	75 Å²	75	108 Å²	108	46%	0.46	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-16.3	-179.2	-39.8	0	0	0	0	112.7	R161 I163	R161-T165 PolarHBondContact O-OG1 2.98Å; I163-T165 PolarHBondContact O-N 2.82Å
166	Q	43.3	Very low	48.4	Very low	154 Å²	154	108.9 Å²	108.9	72%	0.72	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-16.4	-178	-147.2	163	22.3	0	0	113.6	I163 K164	I163-Q166 PolarHBondContact O-N 3.05Å; K164-Q166 PolarHBondContact O-N 2.86Å; K164-Q166 VanDerWaalsContact O-N 3.14Å
167	T	37	Very low	47.4	Very low	89 Å²	89	104.6 Å²	104.6	55%	0.546	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	-21.7	-177.8	-12.6	0	0	0	0	113.4	I163 K164	I163-T167 PolarHBondContact O-OG1 3.48Å; K164-T167 PolarHBondContact O-N 3.36Å
168	D	43.4	Very low	46.4	Very low	112 Å²	112	109.5 Å²	109.5	60%	0.599	58%	0.58	S	S	*	*	S	Bend	trans	-90.5	-4.2	-178.1	-68.9	-13.2	0	0	0	113.2
169	S	45.6	Very low	45.4	Very low	86 Å²	86	112.6 Å²	112.6	60%	0.601	59%	0.591	S	S	*	*	S	Bend	trans	-91.2	-9.1	175.7	55.8	0	0	0	0	114.4
170	D	41.6	Very low	44.6	Very low	142 Å²	142	118.2 Å²	118.2	76%	0.759	62%	0.618	S	S	*	*	S	Bend	trans	-110.3	11.8	-176.6	-69.2	-7.5	0	0	0	112.5
171	S	40.2	Very low	43.7	Very low	82 Å²	82	113.4 Å²	113.4	57%	0.573	61%	0.606	S	S	*	*			trans	-129	23	-173.7	54.4	0	0	0	0	115.6
172	D	37.3	Very low	42.9	Very low	233 Å²	233	116.1 Å²	116.1	100%	1.246	63%	0.632	S	S	*	*			trans	-102.3	0	163.2	-85.3	-14.8	0	0	0	111.1

Retrieved 172 of 172 residues in 37.7 ms (Link to these results)

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