A0A087XL26_POEFO Loading...

Protein unc-119 homolog A

Involved in synaptic functions in photoreceptor cells, the signal transduction in immune cells as a Src family kinase activator, endosome recycling, the uptake of bacteria and endocytosis, protein trafficking in sensory neurons and as lipid-binding chaperone with specificity for a diverse subset of myristoylated proteins. Specifically binds the myristoyl moiety of a subset of N-terminally myristoylated proteins and is required for their localization. Binds myristoylated GNAT1 and is required for G-protein localization and trafficking in sensory neurons. Probably plays a role in trafficking proteins in photoreceptor cells. Plays important roles in mediating Src family kinase signals for the completion of cytokinesis via RAB11A.

AlphaFold DB , UniProt , Accession A0A087XL26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	58.1	Low	59.5	Low	145 Å²	145	81.9 Å²	81.9	71%	0.714	45%	0.454	S	S	*	.				0	118.7	0	-174.1	168.4	178.6	0	0	107.1	T110 T153 E155	M1-T110 HydrophobicContact CE-CG2 4.02Å; M1-T153 HydrophobicContact CG-CG2 4.42Å; M1-E155 HydrophobicContact CE-CB 3.51Å; M1-E155 VanDerWaalsContact CE-CD 3.49Å; M1-E155 HydrophobicContact CE-CG 4.15Å; M1-E155 WeakPolarHBondContact CE-OE1 3.13Å
2	K	71.8	Confident	58.6	Low	99 Å²	99	90.2 Å²	90.2	43%	0.43	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.1	173.5	-69.3	-179.9	-175.9	170.1	0	108	F143 F145 E155	K2-F143 PolarHBondContact NZ-O 3.38Å; K2-F145 PolarHBondContact NZ-O 3.08Å; K2-E155 PolarHBondContact O-N 2.93Å
3	V	72.1	Confident	59.2	Low	80 Å²	80	89.1 Å²	89.1	49%	0.485	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.4	173.6	-179.3	0	0	0	0	107.4	E155 I157	V3-E155 CarbonylContact C-O 3.29Å; V3-E155 WeakPolarHBondContact CA-O 3.44Å; V3-E155 HydrophobicContact CG2-CB 4.43Å; V3-I157 HydrophobicContact CG1-CD1 4.04Å; V3-I157 HydrophobicContact CG1-CG1 3.6Å
4	Q	68.2	Low	60.4	Low	44 Å²	44	86.1 Å²	86.1	21%	0.206	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.1	-177.5	-69.3	-120.4	-5.4	0	0	110.3	F141 E142 E155 I157	Q4-F141 HydrophobicContact CB-CD1 4.3Å; Q4-E142 VanDerWaalsContact CD-C 3.45Å; Q4-E142 WeakPolarHBondContact CG-O 3.42Å; Q4-E142 VanDerWaalsContact NE2-C 3.35Å; Q4-E142 PolarHBondContact NE2-O 2.88Å; Q4-E142 PolarHBondContact OE1-O 3.02Å; Q4-E155 PolarHBondContact N-O 3.1Å; Q4-I157 PolarHBondContact O-N 3.13Å
5	H	67.2	Low	62	Low	116 Å²	116	85.8 Å²	85.8	54%	0.537	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131	174.6	-64.4	71.3	0	0	0	108	C7	H5-C7 PolarHBondContact O-N 3.46Å
6	G	60.8	Low	63.6	Low	11 Å²	11	86.6 Å²	86.6	11%	0.113	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-63.7	118.9	177.7	0	0	0	0	0	109.4	I157	G6-I157 PolarHBondContact N-O 3.33Å; G6-I157 VanDerWaalsContact N-O 3.16Å
7	C	52.7	Low	65.2	Low	84 Å²	84	86.4 Å²	86.4	57%	0.568	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-76.8	134.5	176.7	-167.5	0	0	0	0	109.6	H5 S9 D140	H5-C7 PolarHBondContact O-N 3.46Å; C7-S9 PolarHBondContact O-N 3.27Å; C7-D140 PolarHBondContact N-O 2.88Å
8	N	52.2	Low	66.7	Low	90 Å²	90	84.7 Å²	84.7	48%	0.481	48%	0.483	S	S	.	.			trans	-75.4	100.5	169.2	-72.1	-34.2	0	0	0	108.5	S10 K137	N8-S10 PolarHBondContact O-N 3.37Å; N8-K137 WeakPolarHBondContact OD1-CE 3.47Å; N8-K137 PolarHBondContact OD1-NZ 2.79Å
9	S	52.4	Low	68.1	Low	42 Å²	42	81.5 Å²	81.5	29%	0.294	46%	0.464	S	S	.	.			trans	-66.9	104.5	167.5	60.8	0	0	0	0	108.6	C7 D11	C7-S9 PolarHBondContact O-N 3.27Å; S9-D11 PolarHBondContact O-N 2.94Å
10	S	46.3	Very low	69.3	Low	94 Å²	94	83.7 Å²	83.7	66%	0.657	47%	0.47	S	S	*	.			trans	-65.5	125.6	172.3	54.2	0	0	0	0	109.7	N8 M12	N8-S10 PolarHBondContact O-N 3.37Å; S10-M12 PolarHBondContact O-N 2.82Å
11	D	52.6	Low	70.4	Confident	96 Å²	96	83.6 Å²	83.6	51%	0.513	47%	0.466	S	S	.	.			trans	-62.8	12.4	-174.1	-139.3	7.7	0	0	0	115.5	S9 G13	S9-D11 PolarHBondContact O-N 2.94Å; D11-G13 PolarHBondContact O-N 2.58Å
12	M	49.3	Very low	72	Confident	181 Å²	181	76.7 Å²	76.7	89%	0.892	43%	0.432	S	S	*	.	S	Bend	trans	-80.5	92.4	-172.5	-76.5	-92.2	-91.1	0	0	110.7	S10	S10-M12 PolarHBondContact O-N 2.82Å
13	G	66.4	Low	72.9	Confident	76 Å²	76	78.7 Å²	78.7	78%	0.784	44%	0.437	S	S	*	.	S	Bend	trans	106.4	6	165.9	0	0	0	0	0	116.2	D11	D11-G13 PolarHBondContact O-N 2.58Å
14	I	76.1	Confident	73.8	Confident	48 Å²	48	82.9 Å²	82.9	25%	0.246	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-81.3	125.7	174.3	-55.3	-178.3	0	0	0	108.6	V16 L34	I14-V16 PolarHBondContact O-N 3.13Å; I14-L34 HydrophobicContact CD1-CB 3.71Å; I14-L34 HydrophobicContact CD1-CD1 3.97Å; I14-L34 HydrophobicContact CD1-CG 4.4Å; I14-L34 HydrophobicContact CG2-CB 4.23Å
15	P	83.7	Confident	74.8	Confident	81 Å²	81	84 Å²	84	53%	0.526	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-65.7	136.3	177.8	26.2	-32.3	0	0	0	110.5	R17	P15-R17 PolarHBondContact O-N 3.35Å
16	V	88.4	Confident	75.7	Confident	99 Å²	99	85.1 Å²	85.1	60%	0.6	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-61	134.9	173.3	175.7	0	0	0	0	109.5	I14 Q37	I14-V16 PolarHBondContact O-N 3.13Å; V16-Q37 HydrophobicContact CG1-CG 3.88Å; V16-Q37 HydrophobicContact CG2-CG 4.42Å
17	R	90.4	Very high	77.3	Confident	82 Å²	82	87.8 Å²	87.8	31%	0.309	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-122.7	148.3	178.3	-64.6	-59	-161.4	168	6.2	110.9	P15 E21 L22 D32 G35	P15-R17 PolarHBondContact O-N 3.35Å; R17-E21 IonicContact NH1-OE2 2.93Å; R17-L22 HydrophobicContact CB-CD2 4.17Å; R17-L22 HydrophobicContact CB-CG 4.38Å; R17-L22 HydrophobicContact CG-CD2 4.22Å; R17-D32 WeakPolarHBondContact CG-O 3.44Å; R17-D32 IonicContact CZ-OD1 3.65Å; R17-D32 IonicContact NE-OD1 3.74Å; R17-D32 IonicContact NH2-OD1 3.28Å; R17-D32 PolarHBondContact NH2-OD1 3.07Å; R17-G35 PolarHBondContact N-O 2.89Å
18	T	92.6	Very high	79.3	Confident	56 Å²	56	84.3 Å²	84.3	34%	0.344	46%	0.461	S	S	.	.			trans	-108.4	156.9	169.7	81.8	0	0	0	0	111.2	E20 E21 L22	T18-E20 WeakPolarHBondContact CB-OE2 3.13Å; T18-E20 PolarHBondContact O-N 3.1Å; T18-E20 PolarHBondContact OG1-N 2.86Å; T18-E20 PolarHBondContact OG1-OE2 3.26Å; T18-E21 PolarHBondContact O-N 2.75Å; T18-E21 PolarHBondContact OG1-N 2.62Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 3.07Å
19	E	93.1	Very high	81.4	Confident	24 Å²	24	82 Å²	82	11%	0.112	45%	0.45	C	S	.	.	H	α-helix	trans	-55.9	-40.8	173.8	176.7	-176.4	155.6	0	0	111.5	E21 L22 R23 T40 E41 N42 L44	E19-E21 PolarHBondContact O-N 3.23Å; E19-L22 PolarHBondContact O-N 3.33Å; E19-R23 HydrophobicContact CG-CG 4.01Å; E19-R23 WeakPolarHBondContact O-CB 3.34Å; E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 2.88Å; E19-R23 WeakPolarHBondContact OE1-CD 3.24Å; E19-R23 IonicContact OE1-NH1 3.98Å; E19-R23 PolarHBondContact OE1-NH1 3.26Å; E19-T40 VanDerWaalsContact OE2-CA 3.28Å; E19-T40 WeakPolarHBondContact OE2-CA 3.36Å; E19-T40 VanDerWaalsContact OE2-CB 3.29Å; E19-T40 WeakPolarHBondContact OE2-CB 3.23Å; E19-E41 PolarHBondContact OE2-N 2.79Å; E19-N42 WeakPolarHBondContact OE1-CB 3.18Å; E19-N42 PolarHBondContact OE1-N 2.89Å; E19-N42 PolarHBondContact OE1-ND2 2.81Å; E19-L44 HydrophobicContact CG-CD2 4.06Å
20	E	92.4	Very high	83.4	Confident	126 Å²	126	80 Å²	80	59%	0.589	44%	0.436	S	S	*	.	H	α-helix	trans	-66.9	-27.5	-177.1	-51.7	96	166	0	0	112.9	T18 K24	T18-E20 WeakPolarHBondContact CB-OE2 3.13Å; T18-E20 PolarHBondContact O-N 3.1Å; T18-E20 PolarHBondContact OG1-N 2.86Å; T18-E20 PolarHBondContact OG1-OE2 3.26Å; E20-K24 WeakPolarHBondContact O-CD 3.22Å; E20-K24 WeakPolarHBondContact O-CE 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.28Å
21	E	91.8	Very high	85.6	Confident	82 Å²	82	80.2 Å²	80.2	38%	0.383	43%	0.426	S	S	.	.	H	α-helix	trans	-70.6	-49.7	171.4	-68.5	179.4	172.4	0	0	110.6	R17 T18 E19 R23 K24 N25	R17-E21 IonicContact NH1-OE2 2.93Å; T18-E21 PolarHBondContact O-N 2.75Å; T18-E21 PolarHBondContact OG1-N 2.62Å; E19-E21 PolarHBondContact O-N 3.23Å; E21-R23 VanDerWaalsContact C-N 3.32Å; E21-R23 PolarHBondContact O-N 2.66Å; E21-K24 WeakPolarHBondContact O-CB 3.22Å; E21-K24 PolarHBondContact O-N 2.85Å; E21-K24 VanDerWaalsContact O-N 3.12Å; E21-N25 PolarHBondContact O-OD1 3.08Å
22	L	92.1	Very high	87.5	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-65.5	-35.3	-175.7	-60.5	-168	0	0	0	112.6	R17 T18 E19 K24 N25 I28 D32 V33 L36 L44	R17-L22 HydrophobicContact CB-CD2 4.17Å; R17-L22 HydrophobicContact CB-CG 4.38Å; R17-L22 HydrophobicContact CG-CD2 4.22Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 3.07Å; E19-L22 PolarHBondContact O-N 3.33Å; L22-K24 PolarHBondContact O-N 3.37Å; L22-N25 WeakPolarHBondContact O-CB 3.44Å; L22-N25 PolarHBondContact O-N 3.12Å; L22-I28 HydrophobicContact CB-CD1 4.19Å; L22-I28 HydrophobicContact CB-CG1 4.49Å; L22-D32 HydrophobicContact CD1-CB 4.19Å; L22-D32 HydrophobicContact CD2-CB 3.59Å; L22-V33 HydrophobicContact CD1-CG1 4.43Å; L22-L36 HydrophobicContact CD1-CD1 4.13Å; L22-L36 HydrophobicContact CD1-CD2 3.92Å; L22-L36 HydrophobicContact CD1-CG 4.11Å; L22-L44 HydrophobicContact CB-CD2 4.38Å; L22-L44 HydrophobicContact CD1-CD1 4.07Å
23	R	91	Very high	89.7	Confident	141 Å²	141	67.7 Å²	67.7	53%	0.532	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.1	177.1	-72.7	-179.5	65.8	178	2.7	114.2	E19 E21 N42 L44	E19-R23 HydrophobicContact CG-CG 4.01Å; E19-R23 WeakPolarHBondContact O-CB 3.34Å; E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 2.88Å; E19-R23 WeakPolarHBondContact OE1-CD 3.24Å; E19-R23 IonicContact OE1-NH1 3.98Å; E19-R23 PolarHBondContact OE1-NH1 3.26Å; E21-R23 VanDerWaalsContact C-N 3.32Å; E21-R23 PolarHBondContact O-N 2.66Å; R23-N42 PolarHBondContact NH1-ND2 3.18Å; R23-L44 HydrophobicContact CG-CD2 3.84Å
24	K	90.7	Very high	91	Very high	168 Å²	168	64.7 Å²	64.7	73%	0.73	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16	172.9	-65.8	168.4	-171.2	168.6	0	112	E20 E21 L22	E20-K24 WeakPolarHBondContact O-CD 3.22Å; E20-K24 WeakPolarHBondContact O-CE 3.23Å; E20-K24 WeakPolarHBondContact O-CG 3.28Å; E21-K24 WeakPolarHBondContact O-CB 3.22Å; E21-K24 PolarHBondContact O-N 2.85Å; E21-K24 VanDerWaalsContact O-N 3.12Å; L22-K24 PolarHBondContact O-N 3.37Å
25	N	88.6	Confident	91.7	Very high	68 Å²	68	62.4 Å²	62.4	36%	0.364	32%	0.317	S	S	.	.			trans	-75.9	141.3	179.1	-64.2	-10.9	0	0	0	109.9	E21 L22 V27 I28	E21-N25 PolarHBondContact O-OD1 3.08Å; L22-N25 WeakPolarHBondContact O-CB 3.44Å; L22-N25 PolarHBondContact O-N 3.12Å; N25-V27 VanDerWaalsContact C-N 3.31Å; N25-I28 HydrophobicContact CB-CG1 4.44Å
26	T	87.4	Confident	92.2	Very high	139 Å²	139	58.8 Å²	58.8	85%	0.853	29%	0.293	S	S	*	.	S	Bend	trans	-76.9	-23.3	173	49	0	0	0	0	112.5
27	V	92.7	Very high	92.3	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-139.9	128.8	178.8	-179.5	0	0	0	0	107.5	N25 K189	N25-V27 VanDerWaalsContact C-N 3.31Å; V27-K189 HydrophobicContact CG1-CB 4.24Å; V27-K189 HydrophobicContact CG1-CD 4.28Å; V27-K189 HydrophobicContact CG1-CG 3.79Å
28	I	95.6	Very high	92.5	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.056	29%	0.289	C	S	.	.			trans	-104.4	129.4	175.7	-62.5	172	0	0	0	108.3	L22 N25 D32 V33 L44 L190	L22-I28 HydrophobicContact CB-CD1 4.19Å; L22-I28 HydrophobicContact CB-CG1 4.49Å; N25-I28 HydrophobicContact CB-CG1 4.44Å; I28-D32 HydrophobicContact CG2-CB 4.1Å; I28-V33 HydrophobicContact CG2-CG1 3.87Å; I28-L44 HydrophobicContact CD1-CB 3.71Å; I28-L44 HydrophobicContact CD1-CD1 4.17Å; I28-L44 HydrophobicContact CD1-CD2 4.4Å; I28-L44 HydrophobicContact CD1-CG 4.32Å; I28-L44 WeakPolarHBondContact CD1-O 3.25Å; I28-L190 HydrophobicContact CB-CB 4.01Å; I28-L190 HydrophobicContact CB-CD2 4.11Å; I28-L190 HydrophobicContact CD1-CD2 4.02Å; I28-L190 HydrophobicContact CG2-CB 4.39Å; I28-L190 HydrophobicContact CG2-CD2 4.2Å; I28-L190 PolarHBondContact O-N 2.95Å
29	T	95.2	Very high	92.7	Very high	41 Å²	41	57.5 Å²	57.5	25%	0.252	28%	0.28	S	S	.	.			trans	-104	164.9	-176.4	63.5	0	0	0	0	112	E31 D32 F185	T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 PolarHBondContact O-N 3.25Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 WeakPolarHBondContact O-CB 3.39Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-D32 PolarHBondContact OG1-N 3.4Å; T29-D32 PolarHBondContact OG1-OD2 3.45Å; T29-F185 WeakPolarHBondContact O-CE1 3.47Å
30	P	94.9	Very high	92.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-41.2	173	-28.3	36.7	0	0	0	113.2	D32 V33 L34 I126 F185 N188	P30-D32 VanDerWaalsContact C-N 3.26Å; P30-D32 PolarHBondContact O-N 2.8Å; P30-V33 VanDerWaalsContact O-CG2 3.26Å; P30-V33 WeakPolarHBondContact O-CG2 3.32Å; P30-V33 PolarHBondContact O-N 3.05Å; P30-L34 WeakPolarHBondContact O-CG 3.18Å; P30-L34 PolarHBondContact O-N 2.86Å; P30-L34 VanDerWaalsContact O-N 3.14Å; P30-I126 HydrophobicContact CB-CD1 3.68Å; P30-F185 HydrophobicContact CG-CB 4.37Å; P30-F185 HydrophobicContact CG-CD1 3.88Å; P30-F185 HydrophobicContact CG-CD2 4.25Å; P30-F185 HydrophobicContact CG-CE1 4.25Å; P30-F185 HydrophobicContact CG-CG 3.9Å; P30-N188 WeakPolarHBondContact CD-O 3.25Å; P30-N188 HydrophobicContact CG-CB 4.2Å
31	E	92.2	Very high	92.9	Very high	99 Å²	99	58.8 Å²	58.8	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-33.3	-178.9	-66	68.5	-149.3	0	0	112	T29	T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 PolarHBondContact O-N 3.25Å
32	D	93.3	Very high	93	Very high	14 Å²	14	58.1 Å²	58.1	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-43.3	177.9	-71.2	-41.8	0	0	0	112.2	R17 L22 I28 T29 P30	R17-D32 WeakPolarHBondContact CG-O 3.44Å; R17-D32 IonicContact CZ-OD1 3.65Å; R17-D32 IonicContact NE-OD1 3.74Å; R17-D32 IonicContact NH2-OD1 3.28Å; R17-D32 PolarHBondContact NH2-OD1 3.07Å; L22-D32 HydrophobicContact CD1-CB 4.19Å; L22-D32 HydrophobicContact CD2-CB 3.59Å; I28-D32 HydrophobicContact CG2-CB 4.1Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 WeakPolarHBondContact O-CB 3.39Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-D32 PolarHBondContact OG1-N 3.4Å; T29-D32 PolarHBondContact OG1-OD2 3.45Å; P30-D32 VanDerWaalsContact C-N 3.26Å; P30-D32 PolarHBondContact O-N 2.8Å
33	V	95.7	Very high	93.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-80.1	-24.9	-178.4	-58.1	0	0	0	0	112.8	L22 I28 P30 G35 L36 L44 I126 R128 F183 F185	L22-V33 HydrophobicContact CD1-CG1 4.43Å; I28-V33 HydrophobicContact CG2-CG1 3.87Å; P30-V33 VanDerWaalsContact O-CG2 3.26Å; P30-V33 WeakPolarHBondContact O-CG2 3.32Å; P30-V33 PolarHBondContact O-N 3.05Å; V33-G35 PolarHBondContact O-N 2.79Å; V33-L36 HydrophobicContact CB-CD1 4.06Å; V33-L36 HydrophobicContact CG1-CD1 4.23Å; V33-L36 WeakPolarHBondContact O-CB 3.44Å; V33-L36 PolarHBondContact O-N 2.95Å; V33-L44 HydrophobicContact CG1-CD1 4.32Å; V33-I126 HydrophobicContact CG2-CB 4.17Å; V33-I126 HydrophobicContact CG2-CD1 3.76Å; V33-I126 HydrophobicContact CG2-CG2 4.08Å; V33-R128 VanDerWaalsContact O-CD 3.24Å; V33-R128 WeakPolarHBondContact O-CD 3.36Å; V33-R128 PolarHBondContact O-NE 2.75Å; V33-F183 HydrophobicContact CB-CD2 3.81Å; V33-F183 HydrophobicContact CB-CE2 3.92Å; V33-F183 HydrophobicContact CB-CG 4.12Å; V33-F183 HydrophobicContact CB-CZ 4.32Å; V33-F183 HydrophobicContact CG1-CB 4.48Å; V33-F183 HydrophobicContact CG1-CD1 3.88Å; V33-F183 HydrophobicContact CG1-CD2 4.08Å; V33-F183 HydrophobicContact CG1-CE1 4.05Å; V33-F183 HydrophobicContact CG1-CE2 4.24Å; V33-F183 HydrophobicContact CG1-CG 3.89Å; V33-F183 HydrophobicContact CG1-CZ 4.22Å; V33-F183 HydrophobicContact CG2-CB 4.34Å; V33-F183 HydrophobicContact CG2-CD2 3.93Å; V33-F183 HydrophobicContact CG2-CE2 4.49Å; V33-F183 HydrophobicContact CG2-CG 4.19Å; V33-F185 HydrophobicContact CB-CZ 4.42Å; V33-F185 HydrophobicContact CG1-CZ 3.98Å; V33-F185 HydrophobicContact CG2-CE2 3.89Å; V33-F185 HydrophobicContact CG2-CZ 3.54Å
34	L	93.8	Very high	93.4	Very high	12 Å²	12	54.9 Å²	54.9	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-27.5	175	-73.9	171.7	0	0	0	112.3	I14 P30 I126 R128	I14-L34 HydrophobicContact CD1-CB 3.71Å; I14-L34 HydrophobicContact CD1-CD1 3.97Å; I14-L34 HydrophobicContact CD1-CG 4.4Å; I14-L34 HydrophobicContact CG2-CB 4.23Å; P30-L34 WeakPolarHBondContact O-CG 3.18Å; P30-L34 PolarHBondContact O-N 2.86Å; P30-L34 VanDerWaalsContact O-N 3.14Å; L34-I126 HydrophobicContact CD1-CD1 4.41Å; L34-I126 HydrophobicContact CD2-CD1 4.08Å; L34-I126 HydrophobicContact CD2-CG2 4.08Å; L34-I126 HydrophobicContact CG-CD1 3.96Å; L34-R128 VanDerWaalsContact O-CZ 3.26Å; L34-R128 PolarHBondContact O-NH1 2.91Å; L34-R128 VanDerWaalsContact O-NH1 3.13Å; L34-R128 PolarHBondContact O-NH2 3.01Å
35	G	90.3	Very high	93.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.4	177.1	0	0	0	0	0	115.4	R17 V33 Q37	R17-G35 PolarHBondContact N-O 2.89Å; V33-G35 PolarHBondContact O-N 2.79Å; G35-Q37 PolarHBondContact O-N 3.03Å; G35-Q37 PolarHBondContact O-NE2 3.1Å
36	L	93.8	Very high	93.7	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-70.7	123.3	-178.1	-72.4	171	0	0	0	111.5	L22 V33 T40 L44 R128 Y130 F183	L22-L36 HydrophobicContact CD1-CD1 4.13Å; L22-L36 HydrophobicContact CD1-CD2 3.92Å; L22-L36 HydrophobicContact CD1-CG 4.11Å; V33-L36 HydrophobicContact CB-CD1 4.06Å; V33-L36 HydrophobicContact CG1-CD1 4.23Å; V33-L36 WeakPolarHBondContact O-CB 3.44Å; V33-L36 PolarHBondContact O-N 2.95Å; L36-T40 HydrophobicContact CD1-CG2 3.98Å; L36-L44 HydrophobicContact CD1-CD1 4.48Å; L36-R128 PolarHBondContact O-NE 2.9Å; L36-R128 PolarHBondContact O-NH2 3.1Å; L36-Y130 PolarHBondContact O-OH 3.02Å; L36-F183 HydrophobicContact CD1-CE1 4.41Å; L36-F183 HydrophobicContact CD1-CE2 4.14Å; L36-F183 HydrophobicContact CD1-CZ 3.63Å
37	Q	91.2	Very high	93.7	Very high	73 Å²	73	41 Å²	41	34%	0.341	21%	0.211	S	C	.	.			trans	-92.9	-12.1	-178.9	-60.7	-59	-51.4	0	0	113.2	V16 G35	V16-Q37 HydrophobicContact CG1-CG 3.88Å; V16-Q37 HydrophobicContact CG2-CG 4.42Å; G35-Q37 PolarHBondContact O-N 3.03Å; G35-Q37 PolarHBondContact O-NE2 3.1Å
38	K	94.3	Very high	93.6	Very high	109 Å²	109	44.2 Å²	44.2	47%	0.474	22%	0.221	S	C	.	.	S	Bend	trans	-138.5	162	-175.7	-58.3	-170.7	172.7	-155.2	0	110.8	Y130 D133	K38-Y130 PolarHBondContact O-OH 3.47Å; K38-D133 HydrophobicContact CD-CB 3.85Å; K38-D133 WeakPolarHBondContact CE-OD2 3.27Å; K38-D133 HydrophobicContact CG-CB 3.88Å; K38-D133 IonicContact NZ-OD2 3.44Å; K38-D133 PolarHBondContact NZ-OD2 3.22Å
39	I	96.7	Very high	93.4	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.149	24%	0.237	C	C	.	.			trans	-59	142.4	168.1	-164.4	75.4	0	0	0	109.3	Y130 Q179 S180 D181	I39-Y130 HydrophobicContact CB-CD2 4Å; I39-Y130 HydrophobicContact CB-CE2 4.42Å; I39-Y130 HydrophobicContact CD1-CD2 3.83Å; I39-Y130 HydrophobicContact CD1-CE2 4.15Å; I39-Q179 HydrophobicContact CD1-CB 3.78Å; I39-Q179 HydrophobicContact CG1-CB 4.02Å; I39-S180 VanDerWaalsContact CD1-C 3.46Å; I39-D181 HydrophobicContact CD1-CB 4.31Å; I39-D181 VanDerWaalsContact CD1-CG 3.4Å; I39-D181 WeakPolarHBondContact CD1-OD1 3.34Å; I39-D181 WeakPolarHBondContact CD1-OD2 3.41Å
40	T	96.4	Very high	93.2	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.037	23%	0.233	C	C	.	.			trans	-78.7	142.7	171.2	78.7	0	0	0	0	110.3	E19 L36 N42 L44 D181 F183 H193 K195	E19-T40 VanDerWaalsContact OE2-CA 3.28Å; E19-T40 WeakPolarHBondContact OE2-CA 3.36Å; E19-T40 VanDerWaalsContact OE2-CB 3.29Å; E19-T40 WeakPolarHBondContact OE2-CB 3.23Å; L36-T40 HydrophobicContact CD1-CG2 3.98Å; T40-N42 WeakPolarHBondContact CB-O 3.27Å; T40-N42 PolarHBondContact OG1-O 2.63Å; T40-L44 HydrophobicContact CG2-CD1 4.22Å; T40-L44 HydrophobicContact CG2-CD2 4.43Å; T40-L44 HydrophobicContact CG2-CG 4.28Å; T40-D181 PolarHBondContact N-OD2 2.67Å; T40-F183 HydrophobicContact CG2-CZ 4.38Å; T40-H193 PolarHBondContact OG1-CE1 3.22Å; T40-H193 VanDerWaalsContact OG1-CE1 3.23Å; T40-K195 PolarHBondContact O-NZ 3.43Å; T40-K195 WeakPolarHBondContact OG1-CE 3.37Å; T40-K195 PolarHBondContact OG1-NZ 2.76Å
41	E	94.4	Very high	93.1	Very high	170 Å²	170	51.9 Å²	51.9	79%	0.794	26%	0.262	S	S	*	.	S	Bend	trans	-71.8	-37.6	173.4	-63.3	-175.9	176.3	0	0	110.8	E19	E19-E41 PolarHBondContact OE2-N 2.79Å
42	N	93.8	Very high	93	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.364	25%	0.246	S	C	.	.	S	Bend	trans	-118.7	162.6	-177.7	-55.4	-87.2	0	0	0	112.2	E19 R23 T40	E19-N42 WeakPolarHBondContact OE1-CB 3.18Å; E19-N42 PolarHBondContact OE1-N 2.89Å; E19-N42 PolarHBondContact OE1-ND2 2.81Å; R23-N42 PolarHBondContact NH1-ND2 3.18Å; T40-N42 WeakPolarHBondContact CB-O 3.27Å; T40-N42 PolarHBondContact OG1-O 2.63Å
43	Y	94.8	Very high	92.9	Very high	56 Å²	56	53.4 Å²	53.4	22%	0.22	27%	0.27	C	S	.	.			trans	-67.3	141.6	168.6	-64	-77.3	0	0	0	110.5	N88 R91 H193 K195	Y43-N88 HydrophobicContact CE2-CB 4.4Å; Y43-R91 HydrophobicContact CE1-CB 3.89Å; Y43-H193 HydrophobicContact CD1-CB 4.28Å; Y43-H193 AromaticContact CD1-CG 3.99Å; Y43-H193 WeakPolarHBondContact CD1-O 3.4Å; Y43-H193 WeakPolarHBondContact CE1-O 3.42Å; Y43-K195 HydrophobicContact CD1-CD 4.17Å; Y43-K195 HydrophobicContact CD1-CG 4.32Å; Y43-K195 HydrophobicContact CE1-CB 4.22Å; Y43-K195 HydrophobicContact CE1-CD 3.74Å; Y43-K195 HydrophobicContact CE1-CG 3.74Å
44	L	95.2	Very high	92.7	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.094	27%	0.27	C	S	.	.	S	Bend	trans	-91.2	-9.4	-177.5	-69	-173.4	0	0	0	113.1	E19 L22 R23 I28 V33 L36 T40 F183 L190 H193	E19-L44 HydrophobicContact CG-CD2 4.06Å; L22-L44 HydrophobicContact CB-CD2 4.38Å; L22-L44 HydrophobicContact CD1-CD1 4.07Å; R23-L44 HydrophobicContact CG-CD2 3.84Å; I28-L44 HydrophobicContact CD1-CB 3.71Å; I28-L44 HydrophobicContact CD1-CD1 4.17Å; I28-L44 HydrophobicContact CD1-CD2 4.4Å; I28-L44 HydrophobicContact CD1-CG 4.32Å; I28-L44 WeakPolarHBondContact CD1-O 3.25Å; V33-L44 HydrophobicContact CG1-CD1 4.32Å; L36-L44 HydrophobicContact CD1-CD1 4.48Å; T40-L44 HydrophobicContact CG2-CD1 4.22Å; T40-L44 HydrophobicContact CG2-CD2 4.43Å; T40-L44 HydrophobicContact CG2-CG 4.28Å; L44-F183 HydrophobicContact CD1-CD1 4.26Å; L44-F183 HydrophobicContact CD1-CE1 3.59Å; L44-F183 HydrophobicContact CD1-CZ 4.36Å; L44-F183 HydrophobicContact CG-CE1 4.31Å; L44-L190 HydrophobicContact CB-CD2 3.62Å; L44-H193 PolarHBondContact N-ND1 3.19Å
45	C	93.6	Very high	92.6	Very high	8 Å²	8	55.7 Å²	55.7	5%	0.054	28%	0.282	C	S	.	.	S	Bend	trans	-143.5	149.6	175.5	69.1	0	0	0	0	110.9	E49 R91 L190 M192 H193	C45-E49 WeakPolarHBondContact CA-OE1 3.28Å; C45-E49 HydrophobicContact CB-CB 4.43Å; C45-E49 WeakPolarHBondContact CB-OE1 3.49Å; C45-R91 PolarHBondContact O-NH1 3.09Å; C45-L190 HydrophobicContact CB-CD2 3.81Å; C45-L190 HydrophobicContact CB-CG 4.05Å; C45-M192 VanDerWaalsContact SG-C 3.53Å; C45-M192 VanDerWaalsContact SG-CA 3.57Å; C45-H193 PolarHBondContact SG-N 2.92Å
46	A	91.8	Very high	92.6	Very high	40 Å²	40	57.6 Å²	57.6	33%	0.331	29%	0.29	S	S	.	.			trans	-78.4	159.5	176.5	0	0	0	0	0	111.3	E48 E49	A46-E48 VanDerWaalsContact CB-OE2 3.26Å; A46-E48 WeakPolarHBondContact CB-OE2 3.48Å; A46-E48 PolarHBondContact O-N 3.5Å; A46-E49 HydrophobicContact CB-CG 4.43Å; A46-E49 PolarHBondContact N-OE1 3.18Å; A46-E49 PolarHBondContact O-N 3.16Å
47	P	89.4	Confident	92.4	Very high	34 Å²	34	58.8 Å²	58.8	22%	0.221	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60.8	-28.2	175.3	-22.3	33.1	0	0	0	116.1	E49 N50 P87	P47-E49 PolarHBondContact O-N 3.04Å; P47-N50 WeakPolarHBondContact O-CB 3.5Å; P47-N50 PolarHBondContact O-N 3.08Å; P47-P87 HydrophobicContact CB-CB 4.42Å; P47-P87 HydrophobicContact CG-CB 3.68Å; P47-P87 VanDerWaalsContact CG-O 3.25Å; P47-P87 WeakPolarHBondContact CG-O 3.25Å
48	E	89.8	Confident	92.4	Very high	135 Å²	135	58.2 Å²	58.2	63%	0.631	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18.1	179.5	-59.5	71.9	-154.4	0	0	112.5	A46 N50	A46-E48 VanDerWaalsContact CB-OE2 3.26Å; A46-E48 WeakPolarHBondContact CB-OE2 3.48Å; A46-E48 PolarHBondContact O-N 3.5Å; E48-N50 PolarHBondContact O-N 2.89Å
49	E	91	Very high	92.3	Very high	84 Å²	84	55 Å²	55	39%	0.393	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-73.6	-12.3	176.1	-62.7	-172.3	-104	0	0	112.8	C45 A46 P47 V51	C45-E49 WeakPolarHBondContact CA-OE1 3.28Å; C45-E49 HydrophobicContact CB-CB 4.43Å; C45-E49 WeakPolarHBondContact CB-OE1 3.49Å; A46-E49 HydrophobicContact CB-CG 4.43Å; A46-E49 PolarHBondContact N-OE1 3.18Å; A46-E49 PolarHBondContact O-N 3.16Å; P47-E49 PolarHBondContact O-N 3.04Å; E49-V51 PolarHBondContact O-N 3Å
50	N	91.9	Very high	92.2	Very high	29 Å²	29	55.5 Å²	55.5	16%	0.155	28%	0.279	C	S	.	.			trans	-76	59.6	169	-174	13.7	0	0	0	111.4	P47 E48 H52 M53 I54 V191 M192	P47-N50 WeakPolarHBondContact O-CB 3.5Å; P47-N50 PolarHBondContact O-N 3.08Å; E48-N50 PolarHBondContact O-N 2.89Å; N50-H52 PolarHBondContact O-N 3.27Å; N50-H52 VanDerWaalsContact O-N 3.12Å; N50-M53 PolarHBondContact O-N 3.33Å; N50-M53 VanDerWaalsContact O-N 3.08Å; N50-M53 PolarHBondContact OD1-N 2.94Å; N50-I54 PolarHBondContact ND2-N 3.32Å; N50-I54 PolarHBondContact ND2-O 3.44Å; N50-I54 PolarHBondContact OD1-N 2.99Å; N50-V191 PolarHBondContact N-O 2.86Å; N50-M192 HydrophobicContact CB-CG 4.02Å
51	V	91.6	Very high	92	Very high	101 Å²	101	55.9 Å²	55.9	61%	0.612	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.3	-179.5	-61.1	0	0	0	0	113.2	E49 M53	E49-V51 PolarHBondContact O-N 3Å; V51-M53 VanDerWaalsContact C-N 3.34Å
52	H	91.1	Very high	92	Very high	30 Å²	30	50.4 Å²	50.4	14%	0.139	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.2	178	-61.7	-74.6	0	0	0	113.6	N50 I54 G116 T118 I120 V186	N50-H52 PolarHBondContact O-N 3.27Å; N50-H52 VanDerWaalsContact O-N 3.12Å; H52-I54 HydrophobicContact CB-CD1 4.24Å; H52-I54 HydrophobicContact CB-CG1 3.93Å; H52-I54 PolarHBondContact O-N 3.01Å; H52-G116 WeakPolarHBondContact O-CA 3.44Å; H52-G116 PolarHBondContact O-N 2.76Å; H52-T118 PolarHBondContact ND1-OG1 3.27Å; H52-I120 HydrophobicContact CB-CD1 3.76Å; H52-I120 HydrophobicContact CB-CG1 3.9Å; H52-V186 WeakPolarHBondContact NE2-CG1 3.28Å
53	M	90.8	Very high	92	Very high	114 Å²	114	47.5 Å²	47.5	56%	0.562	24%	0.238	S	C	*	.			trans	51.2	41.9	-179.3	-58.4	-171.4	-81.1	0	0	112.5	N50 V51 D55	N50-M53 PolarHBondContact O-N 3.33Å; N50-M53 VanDerWaalsContact O-N 3.08Å; N50-M53 PolarHBondContact OD1-N 2.94Å; V51-M53 VanDerWaalsContact C-N 3.34Å; M53-D55 PolarHBondContact O-N 3.49Å
54	I	92.1	Very high	91.8	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.243	C	C	.	.			trans	-68.9	121.2	175.8	-57.3	168.4	0	0	0	107.7	N50 H52 F56 F113 T114 I120 F123 V186 V191 M192	N50-I54 PolarHBondContact ND2-N 3.32Å; N50-I54 PolarHBondContact ND2-O 3.44Å; N50-I54 PolarHBondContact OD1-N 2.99Å; H52-I54 HydrophobicContact CB-CD1 4.24Å; H52-I54 HydrophobicContact CB-CG1 3.93Å; H52-I54 PolarHBondContact O-N 3.01Å; I54-F56 HydrophobicContact CG2-CE2 4.27Å; I54-F56 HydrophobicContact CG2-CZ 4.24Å; I54-F113 HydrophobicContact CG2-CD2 4.28Å; I54-T114 WeakPolarHBondContact CA-O 3.34Å; I54-I120 HydrophobicContact CD1-CD1 3.63Å; I54-I120 HydrophobicContact CG1-CD1 3.54Å; I54-F123 HydrophobicContact CD1-CD2 4.2Å; I54-F123 HydrophobicContact CD1-CE2 3.61Å; I54-F123 HydrophobicContact CD1-CZ 3.9Å; I54-F123 HydrophobicContact CG2-CZ 4.12Å; I54-V186 HydrophobicContact CD1-CG2 4.15Å; I54-V191 HydrophobicContact CD1-CG2 4.19Å; I54-M192 HydrophobicContact CB-SD 3.69Å; I54-M192 HydrophobicContact CD1-SD 4.38Å; I54-M192 HydrophobicContact CG2-SD 3.85Å
55	D	91.3	Very high	91.5	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.8	177.5	-169.4	23.6	0	0	0	111	M53 T57 K75 F113 T114	M53-D55 PolarHBondContact O-N 3.49Å; D55-T57 PolarHBondContact O-N 2.97Å; D55-K75 IonicContact OD1-NZ 3.52Å; D55-K75 PolarHBondContact OD1-NZ 3.28Å; D55-K75 IonicContact OD2-NZ 3.44Å; D55-K75 PolarHBondContact OD2-NZ 2.92Å; D55-F113 CarbonylContact O-C 3.55Å; D55-F113 WeakPolarHBondContact O-CA 3.35Å; D55-F113 VanDerWaalsContact O-CB 3.28Å; D55-F113 WeakPolarHBondContact O-CB 3.22Å; D55-T114 PolarHBondContact N-O 3.45Å; D55-T114 PolarHBondContact O-N 2.88Å
56	F	91	Very high	91.5	Very high	40 Å²	40	57.4 Å²	57.4	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.3	176.7	-67.1	-73.3	0	0	0	109.8	I54 V111 F113 F123 Y184 M192	I54-F56 HydrophobicContact CG2-CE2 4.27Å; I54-F56 HydrophobicContact CG2-CZ 4.24Å; F56-V111 HydrophobicContact CD1-CG1 3.35Å; F56-V111 HydrophobicContact CE1-CG1 3.57Å; F56-F113 HydrophobicContact CD1-CB 3.68Å; F56-F113 HydrophobicContact CD1-CD1 4.47Å; F56-F113 HydrophobicContact CD1-CG 4.34Å; F56-F113 HydrophobicContact CE1-CB 3.97Å; F56-F113 HydrophobicContact CE1-CD1 4.17Å; F56-F113 HydrophobicContact CE1-CG 4.16Å; F56-F113 HydrophobicContact CG-CB 4.4Å; F56-F123 HydrophobicContact CZ-CZ 4.26Å; F56-Y184 HydrophobicContact CE1-CE1 4.24Å; F56-Y184 HydrophobicContact CE2-CD1 4.25Å; F56-Y184 AromaticContact CE2-CE1 3.74Å; F56-Y184 HydrophobicContact CE2-CE1 3.74Å; F56-Y184 HydrophobicContact CE2-CE2 4.32Å; F56-Y184 AromaticContact CE2-CZ 3.78Å; F56-Y184 AromaticContact CZ-CD1 3.83Å; F56-Y184 HydrophobicContact CZ-CD1 3.83Å; F56-Y184 AromaticContact CZ-CE1 3.28Å; F56-Y184 HydrophobicContact CZ-CE1 3.28Å; F56-Y184 AromaticContact CZ-CZ 3.76Å; F56-M192 HydrophobicContact CD2-CE 3.97Å; F56-M192 HydrophobicContact CE2-CE 3.74Å; F56-M192 HydrophobicContact CE2-SD 4.2Å
57	T	89.4	Confident	91.4	Very high	29 Å²	29	57.6 Å²	57.6	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-27.5	-172.9	59.6	0	0	0	0	112.9	D55 T74 K75 E112 T114	D55-T57 PolarHBondContact O-N 2.97Å; T57-T74 CarbonylContact O-C 3.45Å; T57-T74 WeakPolarHBondContact O-CA 3.38Å; T57-K75 PolarHBondContact O-N 3.12Å; T57-E112 PolarHBondContact N-O 2.82Å; T57-E112 PolarHBondContact OG1-O 2.76Å; T57-T114 HydrophobicContact CG2-CG2 4.28Å
58	R	90.9	Very high	91.4	Very high	62 Å²	62	59.7 Å²	59.7	23%	0.234	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.6	176.6	-173.3	174.4	171.2	-132.1	8.1	110.7	E72 I73 T74 V111 E112	R58-E72 IonicContact CZ-OE1 2.66Å; R58-E72 IonicContact NE-OE1 3.69Å; R58-E72 PolarHBondContact NE-OE1 3.22Å; R58-E72 IonicContact NH2-OE1 2.62Å; R58-E72 PolarHBondContact NH2-OE1 2.9Å; R58-I73 WeakPolarHBondContact CA-O 3.45Å; R58-T74 HydrophobicContact CB-CG2 4.49Å; R58-V111 WeakPolarHBondContact O-CA 3.38Å; R58-E112 HydrophobicContact CB-CB 3.92Å; R58-E112 HydrophobicContact CB-CG 4.12Å; R58-E112 WeakPolarHBondContact CD-OE1 3.27Å; R58-E112 IonicContact CZ-OE1 3.46Å; R58-E112 PolarHBondContact N-O 2.86Å; R58-E112 VanDerWaalsContact N-O 3.15Å; R58-E112 IonicContact NH1-OE1 3.46Å; R58-E112 PolarHBondContact NH1-OE1 3.44Å; R58-E112 PolarHBondContact O-N 2.78Å
59	F	91.8	Very high	91.6	Very high	41 Å²	41	56.9 Å²	56.9	18%	0.18	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.5	173.7	-178.8	-109.9	0	0	0	109.1	I61 F71 E72 I73 Y95 A109 T110 V111	F59-I61 HydrophobicContact CD1-CG1 4.41Å; F59-I61 HydrophobicContact CE1-CD1 3.5Å; F59-I61 HydrophobicContact CE1-CG1 3.55Å; F59-I61 HydrophobicContact CZ-CD1 3.74Å; F59-I61 HydrophobicContact CZ-CG1 3.63Å; F59-F71 AromaticContact CD1-CD1 3.86Å; F59-F71 HydrophobicContact CD1-CD1 3.86Å; F59-F71 AromaticContact CD1-CE1 3.9Å; F59-F71 HydrophobicContact CD1-CE1 3.9Å; F59-F71 HydrophobicContact CE1-CD1 4.17Å; F59-F71 HydrophobicContact CE1-CE1 4.45Å; F59-E72 CarbonylContact O-C 3.47Å; F59-E72 WeakPolarHBondContact O-CA 3.26Å; F59-I73 HydrophobicContact CB-CG2 3.87Å; F59-I73 PolarHBondContact N-O 2.93Å; F59-I73 PolarHBondContact O-N 3.08Å; F59-Y95 HydrophobicContact CE1-CE1 4.15Å; F59-Y95 VanDerWaalsContact CE1-OH 3.31Å; F59-Y95 WeakPolarHBondContact CE1-OH 3.32Å; F59-A109 HydrophobicContact CE2-CB 3.82Å; F59-A109 HydrophobicContact CZ-CB 4.13Å; F59-T110 WeakPolarHBondContact CA-O 3.37Å; F59-V111 HydrophobicContact CD2-CG2 3.89Å; F59-V111 HydrophobicContact CE2-CG2 4.08Å
60	K	93.4	Very high	91.5	Very high	39 Å²	39	55.6 Å²	55.6	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	126.6	-178.4	-176.5	-170.2	72.5	176	0	110	V69 F71 E72 A109 T110	K60-V69 HydrophobicContact CD-CG1 4.39Å; K60-V69 HydrophobicContact CD-CG2 4.31Å; K60-V69 HydrophobicContact CG-CG1 3.96Å; K60-F71 CarbonylContact C-O 3.56Å; K60-F71 WeakPolarHBondContact CA-O 2.97Å; K60-E72 HydrophobicContact CB-CB 4.49Å; K60-E72 HydrophobicContact CB-CG 4.17Å; K60-E72 HydrophobicContact CG-CB 4.2Å; K60-E72 HydrophobicContact CG-CG 4.18Å; K60-A109 CarbonylContact O-C 3.54Å; K60-A109 VanDerWaalsContact O-CA 3.28Å; K60-A109 WeakPolarHBondContact O-CA 3.41Å; K60-T110 PolarHBondContact N-O 3.45Å; K60-T110 PolarHBondContact O-N 3.07Å
61	I	93.3	Very high	91.4	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.072	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.9	172.9	-57.3	172.6	0	0	0	108.6	F59 L70 F71 F97 V107 G108 A109	F59-I61 HydrophobicContact CD1-CG1 4.41Å; F59-I61 HydrophobicContact CE1-CD1 3.5Å; F59-I61 HydrophobicContact CE1-CG1 3.55Å; F59-I61 HydrophobicContact CZ-CD1 3.74Å; F59-I61 HydrophobicContact CZ-CG1 3.63Å; I61-L70 HydrophobicContact CG2-CB 4.34Å; I61-L70 HydrophobicContact CG2-CD1 4.16Å; I61-L70 PolarHBondContact O-N 2.68Å; I61-F71 HydrophobicContact CB-CB 4.26Å; I61-F71 HydrophobicContact CD1-CB 4.31Å; I61-F71 HydrophobicContact CG1-CB 4.47Å; I61-F71 PolarHBondContact N-O 2.88Å; I61-F71 PolarHBondContact O-N 3.4Å; I61-F97 HydrophobicContact CD1-CZ 4.1Å; I61-V107 HydrophobicContact CG2-CB 3.91Å; I61-V107 HydrophobicContact CG2-CG1 4.4Å; I61-V107 HydrophobicContact CG2-CG2 4.09Å; I61-G108 WeakPolarHBondContact CA-O 3.45Å; I61-A109 HydrophobicContact CG1-CB 4.31Å
62	R	94.4	Very high	91.4	Very high	55 Å²	55	55.9 Å²	55.9	21%	0.208	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.1	168.2	70.1	170.6	-176.7	-88	0.1	111.5	T68 V107 G108 E155	R62-T68 CarbonylContact C-O 3.59Å; R62-T68 VanDerWaalsContact CA-O 3.23Å; R62-T68 WeakPolarHBondContact CA-O 3.46Å; R62-V107 CarbonylContact O-C 3.57Å; R62-V107 VanDerWaalsContact O-CA 3.31Å; R62-V107 WeakPolarHBondContact O-CA 3.49Å; R62-V107 WeakPolarHBondContact O-CB 3.48Å; R62-G108 PolarHBondContact N-O 3.16Å; R62-G108 PolarHBondContact O-N 3.16Å; R62-E155 IonicContact CZ-OE1 3.07Å; R62-E155 IonicContact CZ-OE2 3.17Å; R62-E155 IonicContact NH1-OE1 3.2Å; R62-E155 PolarHBondContact NH1-OE1 2.8Å; R62-E155 IonicContact NH1-OE2 2.66Å; R62-E155 IonicContact NH2-OE1 2.75Å; R62-E155 PolarHBondContact NH2-OE1 2.67Å; R62-E155 IonicContact NH2-OE2 3.99Å; R62-E155 PolarHBondContact NH2-OE2 2.99Å
63	D	92.8	Very high	91.2	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.3	162.4	174.8	15.6	0	0	0	109.4	E65 T66 G67 T68 L70 L104	D63-E65 VanDerWaalsContact C-N 3.34Å; D63-E65 PolarHBondContact OD1-N 2.87Å; D63-T66 VanDerWaalsContact OD2-CB 3.28Å; D63-T66 WeakPolarHBondContact OD2-CB 3.34Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.47Å; D63-T66 PolarHBondContact OD2-N 2.79Å; D63-T66 VanDerWaalsContact OD2-N 3.13Å; D63-T66 PolarHBondContact OD2-OG1 3.01Å; D63-G67 WeakPolarHBondContact O-CA 3.38Å; D63-G67 PolarHBondContact O-N 3.28Å; D63-T68 PolarHBondContact N-O 2.82Å; D63-L70 HydrophobicContact CB-CD1 4.16Å; D63-L70 HydrophobicContact CB-CG 4.42Å; D63-L104 HydrophobicContact CB-CD2 4.38Å
64	M	90.7	Very high	91	Very high	68 Å²	68	57.3 Å²	57.3	34%	0.335	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.6	-180	-70.1	-68.7	-70.7	0	0	112.9	Q106 I157	M64-Q106 HydrophobicContact CB-CB 4.27Å; M64-Q106 HydrophobicContact CB-CG 4.33Å; M64-Q106 HydrophobicContact CG-CB 4.47Å; M64-Q106 HydrophobicContact CG-CG 4.08Å; M64-Q106 PolarHBondContact N-O 2.95Å; M64-I157 HydrophobicContact CE-CD1 3.83Å; M64-I157 HydrophobicContact SD-CD1 3.99Å
65	E	90.4	Very high	90.5	Very high	126 Å²	126	60.8 Å²	60.8	59%	0.589	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-46.6	-179.5	-66	-173.3	178.6	0	0	111.6	D63 R105	D63-E65 VanDerWaalsContact C-N 3.34Å; D63-E65 PolarHBondContact OD1-N 2.87Å; E65-R105 IonicContact OE1-CZ 3.08Å; E65-R105 IonicContact OE1-NE 3.36Å; E65-R105 PolarHBondContact OE1-NE 3.15Å; E65-R105 VanDerWaalsContact OE1-NE 3.08Å
66	T	91.9	Very high	89.5	Confident	96 Å²	96	62.8 Å²	62.8	59%	0.589	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-18.4	-179.7	66.9	0	0	0	0	114.2	D63 T68	D63-T66 VanDerWaalsContact OD2-CB 3.28Å; D63-T66 WeakPolarHBondContact OD2-CB 3.34Å; D63-T66 WeakPolarHBondContact OD2-CG2 3.47Å; D63-T66 PolarHBondContact OD2-N 2.79Å; D63-T66 VanDerWaalsContact OD2-N 3.13Å; D63-T66 PolarHBondContact OD2-OG1 3.01Å; T66-T68 PolarHBondContact O-N 3.16Å; T66-T68 WeakPolarHBondContact OG1-CB 3.4Å; T66-T68 PolarHBondContact OG1-N 2.81Å; T66-T68 PolarHBondContact OG1-OG1 2.85Å
67	G	89.9	Confident	88	Confident	44 Å²	44	66.9 Å²	66.9	45%	0.454	37%	0.366	S	S	.	.			trans	75.8	1.1	-171.5	0	0	0	0	0	114.4	D63 V69	D63-G67 WeakPolarHBondContact O-CA 3.38Å; D63-G67 PolarHBondContact O-N 3.28Å; G67-V69 PolarHBondContact O-N 2.84Å
68	T	90.9	Very high	86.4	Confident	78 Å²	78	69.2 Å²	69.2	48%	0.479	38%	0.38	S	S	.	.			trans	-62.9	131.1	-179.2	-56	0	0	0	0	110.6	R62 D63 T66 L70	R62-T68 CarbonylContact C-O 3.59Å; R62-T68 VanDerWaalsContact CA-O 3.23Å; R62-T68 WeakPolarHBondContact CA-O 3.46Å; D63-T68 PolarHBondContact N-O 2.82Å; T66-T68 PolarHBondContact O-N 3.16Å; T66-T68 WeakPolarHBondContact OG1-CB 3.4Å; T66-T68 PolarHBondContact OG1-N 2.81Å; T66-T68 PolarHBondContact OG1-OG1 2.85Å; T68-L70 HydrophobicContact CG2-CD2 4.49Å; T68-L70 PolarHBondContact O-N 3.48Å
69	V	92.3	Very high	84	Confident	75 Å²	75	71.1 Å²	71.1	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.4	172.7	179.7	0	0	0	0	108.4	K60 G67 E72	K60-V69 HydrophobicContact CD-CG1 4.39Å; K60-V69 HydrophobicContact CD-CG2 4.31Å; K60-V69 HydrophobicContact CG-CG1 3.96Å; G67-V69 PolarHBondContact O-N 2.84Å; V69-E72 HydrophobicContact CG1-CB 4.15Å
70	L	90.3	Very high	81.6	Confident	57 Å²	57	73 Å²	73	30%	0.298	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-30.6	-177.4	-58.9	171.9	0	0	0	111.5	I61 D63 T68 F101 L104 V107	I61-L70 HydrophobicContact CG2-CB 4.34Å; I61-L70 HydrophobicContact CG2-CD1 4.16Å; I61-L70 PolarHBondContact O-N 2.68Å; D63-L70 HydrophobicContact CB-CD1 4.16Å; D63-L70 HydrophobicContact CB-CG 4.42Å; T68-L70 HydrophobicContact CG2-CD2 4.49Å; T68-L70 PolarHBondContact O-N 3.48Å; L70-F101 HydrophobicContact CB-CE2 4.41Å; L70-F101 HydrophobicContact CD1-CD2 3.92Å; L70-F101 HydrophobicContact CD1-CE2 3.76Å; L70-L104 HydrophobicContact CD1-CD1 3.33Å; L70-V107 HydrophobicContact CD1-CG1 3.94Å
71	F	89.7	Confident	79.4	Confident	46 Å²	46	74.9 Å²	74.9	20%	0.202	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	142.6	179.6	-176	-97.4	0	0	0	110.3	F59 K60 I61 I73 Y95 F97	F59-F71 AromaticContact CD1-CD1 3.86Å; F59-F71 HydrophobicContact CD1-CD1 3.86Å; F59-F71 AromaticContact CD1-CE1 3.9Å; F59-F71 HydrophobicContact CD1-CE1 3.9Å; F59-F71 HydrophobicContact CE1-CD1 4.17Å; F59-F71 HydrophobicContact CE1-CE1 4.45Å; K60-F71 CarbonylContact C-O 3.56Å; K60-F71 WeakPolarHBondContact CA-O 2.97Å; I61-F71 HydrophobicContact CB-CB 4.26Å; I61-F71 HydrophobicContact CD1-CB 4.31Å; I61-F71 HydrophobicContact CG1-CB 4.47Å; I61-F71 PolarHBondContact N-O 2.88Å; I61-F71 PolarHBondContact O-N 3.4Å; F71-I73 HydrophobicContact CE1-CB 3.85Å; F71-I73 HydrophobicContact CE1-CG2 3.58Å; F71-I73 HydrophobicContact CZ-CB 4.04Å; F71-I73 HydrophobicContact CZ-CG2 4.13Å; F71-Y95 HydrophobicContact CD1-CD1 4.39Å; F71-Y95 AromaticContact CD1-CE1 3.83Å; F71-Y95 HydrophobicContact CD1-CE1 3.83Å; F71-Y95 HydrophobicContact CD2-CD1 4.11Å; F71-Y95 HydrophobicContact CD2-CE1 4.34Å; F71-Y95 HydrophobicContact CE1-CD1 4.24Å; F71-Y95 AromaticContact CE1-CE1 3.56Å; F71-Y95 HydrophobicContact CE1-CE1 3.56Å; F71-Y95 AromaticContact CE2-CD1 3.96Å; F71-Y95 HydrophobicContact CE2-CD1 3.96Å; F71-Y95 HydrophobicContact CE2-CE1 4.1Å; F71-Y95 HydrophobicContact CG-CD1 4.33Å; F71-Y95 HydrophobicContact CG-CE1 4.21Å; F71-Y95 HydrophobicContact CZ-CD1 4.02Å; F71-Y95 AromaticContact CZ-CE1 3.7Å; F71-Y95 HydrophobicContact CZ-CE1 3.7Å; F71-F97 HydrophobicContact CB-CE1 4.01Å; F71-F97 HydrophobicContact CB-CZ 4.45Å
72	E	90.6	Very high	76.9	Confident	91 Å²	91	81 Å²	81	43%	0.425	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	130.6	170.4	-174.3	166.6	-172.5	0	0	110.4	R58 F59 K60 V69	R58-E72 IonicContact CZ-OE1 2.66Å; R58-E72 IonicContact NE-OE1 3.69Å; R58-E72 PolarHBondContact NE-OE1 3.22Å; R58-E72 IonicContact NH2-OE1 2.62Å; R58-E72 PolarHBondContact NH2-OE1 2.9Å; F59-E72 CarbonylContact O-C 3.47Å; F59-E72 WeakPolarHBondContact O-CA 3.26Å; K60-E72 HydrophobicContact CB-CB 4.49Å; K60-E72 HydrophobicContact CB-CG 4.17Å; K60-E72 HydrophobicContact CG-CB 4.2Å; K60-E72 HydrophobicContact CG-CG 4.18Å; V69-E72 HydrophobicContact CG1-CB 4.15Å
73	I	87.1	Confident	74.6	Confident	91 Å²	91	88 Å²	88	47%	0.467	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136	170.9	-168.7	169.6	0	0	0	109.1	R58 F59 F71	R58-I73 WeakPolarHBondContact CA-O 3.45Å; F59-I73 HydrophobicContact CB-CG2 3.87Å; F59-I73 PolarHBondContact N-O 2.93Å; F59-I73 PolarHBondContact O-N 3.08Å; F71-I73 HydrophobicContact CE1-CB 3.85Å; F71-I73 HydrophobicContact CE1-CG2 3.58Å; F71-I73 HydrophobicContact CZ-CB 4.04Å; F71-I73 HydrophobicContact CZ-CG2 4.13Å
74	T	86.7	Confident	72.5	Confident	83 Å²	83	92.7 Å²	92.7	51%	0.509	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.5	171.6	-55.1	0	0	0	0	107.5	T57 R58	T57-T74 CarbonylContact O-C 3.45Å; T57-T74 WeakPolarHBondContact O-CA 3.38Å; R58-T74 HydrophobicContact CB-CG2 4.49Å
75	K	81.1	Confident	70.2	Confident	76 Å²	76	96.2 Å²	96.2	33%	0.33	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-68.1	123	173	-170	-178.9	-179.5	-173.6	0	107.5	D55 T57	D55-K75 IonicContact OD1-NZ 3.52Å; D55-K75 PolarHBondContact OD1-NZ 3.28Å; D55-K75 IonicContact OD2-NZ 3.44Å; D55-K75 PolarHBondContact OD2-NZ 2.92Å; T57-K75 PolarHBondContact O-N 3.12Å
76	P	71.8	Confident	68.6	Low	99 Å²	99	93.8 Å²	93.8	64%	0.643	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-61.7	146.1	175.1	25.5	-32	0	0	0	109.4	T78	P76-T78 PolarHBondContact O-N 2.86Å; P76-T78 VanDerWaalsContact O-N 3.08Å
77	P	58.8	Low	66.9	Low	126 Å²	126	92.9 Å²	92.9	82%	0.818	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-60.9	117.1	176	24.2	-31.4	0	0	0	108.8	P79	P77-P79 VanDerWaalsContact O-CD 3.25Å; P77-P79 WeakPolarHBondContact O-CD 3.3Å
78	T	56.1	Low	65.6	Low	78 Å²	78	93.9 Å²	93.9	48%	0.479	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-64.4	116.9	177.7	-42.1	0	0	0	0	108.4	P76 G80	P76-T78 PolarHBondContact O-N 2.86Å; P76-T78 VanDerWaalsContact O-N 3.08Å; T78-G80 PolarHBondContact O-N 3.16Å
79	P	39.9	Very low	64.4	Low	103 Å²	103	93.5 Å²	93.5	67%	0.669	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-62.9	134	170.7	-3.6	16.4	0	0	0	108	P77 G81	P77-P79 VanDerWaalsContact O-CD 3.25Å; P77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-G81 PolarHBondContact O-N 2.83Å
80	G	42.3	Very low	63.5	Low	81 Å²	81	93 Å²	93	84%	0.835	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.7	131.3	-163.6	0	0	0	0	0	116.5	T78 L82	T78-G80 PolarHBondContact O-N 3.16Å; G80-L82 PolarHBondContact O-N 3.36Å
81	G	46.2	Very low	63.4	Low	78 Å²	78	91.1 Å²	91.1	80%	0.804	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.8	3.1	151.4	0	0	0	0	0	118.5	P79 K83	P79-G81 PolarHBondContact O-N 2.83Å; G81-K83 PolarHBondContact O-N 2.97Å; G81-K83 VanDerWaalsContact O-N 3.1Å
82	L	41.8	Very low	63.5	Low	143 Å²	143	93 Å²	93	75%	0.749	56%	0.564	S	S	*	*			trans	-76.6	100.5	169.7	-74.2	164.9	0	0	0	109.4	G80 Q84	G80-L82 PolarHBondContact O-N 3.36Å; L82-Q84 PolarHBondContact O-N 3.17Å
83	K	44.6	Very low	63.4	Low	200 Å²	200	90.9 Å²	90.9	87%	0.87	56%	0.557	S	S	*	*			trans	-51.4	111	167.8	-70	-177.3	174.9	-175.3	0	108.1	G81 C85	G81-K83 PolarHBondContact O-N 2.97Å; G81-K83 VanDerWaalsContact O-N 3.1Å; K83-C85 PolarHBondContact O-N 3.15Å
84	Q	48.7	Very low	63.7	Low	108 Å²	108	93 Å²	93	51%	0.505	56%	0.559	S	S	.	*			trans	-59.2	124.9	168.9	-77.6	-178.8	3.5	0	0	107.7	L82 D86	L82-Q84 PolarHBondContact O-N 3.17Å; Q84-D86 PolarHBondContact O-N 2.66Å
85	C	44.1	Very low	64	Low	141 Å²	141	90.3 Å²	90.3	95%	0.953	54%	0.54	S	S	*	.	S	Bend	trans	-67.6	-15.9	-174.7	-93.3	0	0	0	0	113.9	K83	K83-C85 PolarHBondContact O-N 3.15Å
86	D	55.6	Low	64.5	Low	75 Å²	75	91.7 Å²	91.7	40%	0.401	55%	0.547	S	S	.	.			trans	-115.3	114.5	175.4	166.7	30.1	0	0	0	110.1	Q84 N88 T89	Q84-D86 PolarHBondContact O-N 2.66Å; D86-N88 PolarHBondContact O-N 3.03Å; D86-N88 VanDerWaalsContact O-N 3.12Å; D86-N88 PolarHBondContact OD1-N 3.46Å; D86-T89 VanDerWaalsContact CB-OG1 3.26Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 VanDerWaalsContact O-CB 3.27Å; D86-T89 WeakPolarHBondContact O-CB 3.39Å; D86-T89 PolarHBondContact O-N 3.07Å; D86-T89 PolarHBondContact O-OG1 3.37Å; D86-T89 VanDerWaalsContact O-OG1 3.13Å; D86-T89 PolarHBondContact OD2-N 2.8Å; D86-T89 PolarHBondContact OD2-OG1 3.01Å
87	P	56.6	Low	65.5	Low	78 Å²	78	87.4 Å²	87.4	51%	0.506	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.2	178.2	-19.7	29.9	0	0	0	114	P47	P47-P87 HydrophobicContact CB-CB 4.42Å; P47-P87 HydrophobicContact CG-CB 3.68Å; P47-P87 VanDerWaalsContact CG-O 3.25Å; P47-P87 WeakPolarHBondContact CG-O 3.25Å
88	N	62.7	Low	67.1	Low	65 Å²	65	84.8 Å²	84.8	35%	0.348	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.5	178.5	-64.8	-40.5	0	0	0	113.5	Y43 D86 G90 R91	Y43-N88 HydrophobicContact CE2-CB 4.4Å; D86-N88 PolarHBondContact O-N 3.03Å; D86-N88 VanDerWaalsContact O-N 3.12Å; D86-N88 PolarHBondContact OD1-N 3.46Å; N88-G90 PolarHBondContact O-N 2.96Å; N88-G90 VanDerWaalsContact O-N 3.15Å; N88-R91 WeakPolarHBondContact O-CB 2.97Å; N88-R91 PolarHBondContact O-N 2.69Å
89	T	65.3	Low	68.8	Low	69 Å²	69	83.5 Å²	83.5	42%	0.423	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	120.9	177.6	-68.2	0	0	0	0	110.1	D86	D86-T89 VanDerWaalsContact CB-OG1 3.26Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 VanDerWaalsContact O-CB 3.27Å; D86-T89 WeakPolarHBondContact O-CB 3.39Å; D86-T89 PolarHBondContact O-N 3.07Å; D86-T89 PolarHBondContact O-OG1 3.37Å; D86-T89 VanDerWaalsContact O-OG1 3.13Å; D86-T89 PolarHBondContact OD2-N 2.8Å; D86-T89 PolarHBondContact OD2-OG1 3.01Å
90	G	74.3	Confident	71.3	Confident	64 Å²	64	81.3 Å²	81.3	66%	0.66	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-0.5	-180	0	0	0	0	0	115.8	N88	N88-G90 PolarHBondContact O-N 2.96Å; N88-G90 VanDerWaalsContact O-N 3.15Å
91	R	87.1	Confident	73.7	Confident	18 Å²	18	78.3 Å²	78.3	7%	0.068	45%	0.448	C	S	.	.	S	Bend	trans	-85.5	-13.1	173.8	-64.7	-174.9	173	-142.5	-30.3	114	Y43 C45 N88 N194 K195	Y43-R91 HydrophobicContact CE1-CB 3.89Å; C45-R91 PolarHBondContact O-NH1 3.09Å; N88-R91 WeakPolarHBondContact O-CB 2.97Å; N88-R91 PolarHBondContact O-N 2.69Å; R91-N194 CarbonylContact O-C 3.52Å; R91-N194 VanDerWaalsContact O-CA 3.3Å; R91-N194 WeakPolarHBondContact O-CA 3.47Å; R91-K195 PolarHBondContact O-N 2.85Å
92	F	91.3	Very high	75.8	Confident	87 Å²	87	75.3 Å²	75.3	38%	0.382	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.3	177.3	-171	-92.1	0	0	0	110.8	R94 K195 D197	F92-R94 HydrophobicContact CE1-CB 4.3Å; F92-K195 VanDerWaalsContact CA-O 3.27Å; F92-K195 WeakPolarHBondContact CA-O 3.21Å; F92-K195 HydrophobicContact CD2-CB 3.73Å; F92-K195 HydrophobicContact CE2-CB 4.25Å; F92-D197 HydrophobicContact CZ-CB 4.06Å; F92-D197 VanDerWaalsContact CZ-CG 3.49Å; F92-D197 WeakPolarHBondContact CZ-OD2 3.36Å
93	V	90.4	Very high	78.2	Confident	46 Å²	46	75.3 Å²	75.3	28%	0.279	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.3	176.3	-175.8	0	0	0	0	110.2	Y95 K195 A196 D197	V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.32Å; V93-Y95 HydrophobicContact CG1-CD2 4.11Å; V93-Y95 HydrophobicContact CG1-CE1 3.88Å; V93-Y95 HydrophobicContact CG1-CE2 3.66Å; V93-Y95 HydrophobicContact CG1-CG 4.43Å; V93-K195 PolarHBondContact N-O 2.83Å; V93-A196 HydrophobicContact CB-CB 4.48Å; V93-A196 WeakPolarHBondContact O-CA 3.39Å; V93-A196 WeakPolarHBondContact O-CB 3.12Å; V93-D197 PolarHBondContact O-N 3.04Å; V93-D197 VanDerWaalsContact O-N 3.16Å
94	R	92	Very high	80.4	Confident	136 Å²	136	67.2 Å²	67.2	51%	0.513	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.3	174.2	175.4	159.8	-71.3	172.1	2	110.1	F92 Y176 D197	F92-R94 HydrophobicContact CE1-CB 4.3Å; R94-Y176 HydrophobicContact CG-CD1 4Å; R94-Y176 HydrophobicContact CG-CE1 3.43Å; R94-Y176 VanDerWaalsContact CG-CE1 3.43Å; R94-D197 VanDerWaalsContact CA-OD1 3.31Å; R94-D197 WeakPolarHBondContact CA-OD1 3.49Å; R94-D197 VanDerWaalsContact CB-OD1 3.27Å; R94-D197 WeakPolarHBondContact CB-OD1 3.21Å; R94-D197 WeakPolarHBondContact CG-OD1 3.26Å; R94-D197 IonicContact CZ-OD1 3.84Å; R94-D197 IonicContact CZ-OD2 2.81Å; R94-D197 VanDerWaalsContact CZ-OD2 3.29Å; R94-D197 IonicContact NE-OD1 3.37Å; R94-D197 PolarHBondContact NE-OD1 2.7Å; R94-D197 IonicContact NE-OD2 2.75Å; R94-D197 PolarHBondContact NE-OD2 3.39Å; R94-D197 VanDerWaalsContact NE-OD2 3.09Å; R94-D197 IonicContact NH2-OD1 2.8Å; R94-D197 IonicContact NH2-OD2 2.69Å; R94-D197 PolarHBondContact NH2-OD2 2.94Å
95	Y	92.4	Very high	82.3	Confident	25 Å²	25	70.4 Å²	70.4	10%	0.098	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.8	-179.7	-67.6	-79.3	0	0	0	111.7	F59 F71 V93 F97 A196 D197 Y198 S199	F59-Y95 HydrophobicContact CE1-CE1 4.15Å; F59-Y95 VanDerWaalsContact CE1-OH 3.31Å; F59-Y95 WeakPolarHBondContact CE1-OH 3.32Å; F71-Y95 HydrophobicContact CD1-CD1 4.39Å; F71-Y95 AromaticContact CD1-CE1 3.83Å; F71-Y95 HydrophobicContact CD1-CE1 3.83Å; F71-Y95 HydrophobicContact CD2-CD1 4.11Å; F71-Y95 HydrophobicContact CD2-CE1 4.34Å; F71-Y95 HydrophobicContact CE1-CD1 4.24Å; F71-Y95 AromaticContact CE1-CE1 3.56Å; F71-Y95 HydrophobicContact CE1-CE1 3.56Å; F71-Y95 AromaticContact CE2-CD1 3.96Å; F71-Y95 HydrophobicContact CE2-CD1 3.96Å; F71-Y95 HydrophobicContact CE2-CE1 4.1Å; F71-Y95 HydrophobicContact CG-CD1 4.33Å; F71-Y95 HydrophobicContact CG-CE1 4.21Å; F71-Y95 HydrophobicContact CZ-CD1 4.02Å; F71-Y95 AromaticContact CZ-CE1 3.7Å; F71-Y95 HydrophobicContact CZ-CE1 3.7Å; V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.32Å; V93-Y95 HydrophobicContact CG1-CD2 4.11Å; V93-Y95 HydrophobicContact CG1-CE1 3.88Å; V93-Y95 HydrophobicContact CG1-CE2 3.66Å; V93-Y95 HydrophobicContact CG1-CG 4.43Å; Y95-F97 HydrophobicContact CD1-CE2 4.01Å; Y95-F97 AromaticContact CD1-CZ 3.69Å; Y95-F97 HydrophobicContact CD1-CZ 3.69Å; Y95-F97 HydrophobicContact CE1-CZ 4.45Å; Y95-F97 AromaticContact CG-CE2 3.88Å; Y95-F97 HydrophobicContact CG-CE2 3.88Å; Y95-F97 HydrophobicContact CG-CZ 4.06Å; Y95-A196 HydrophobicContact CD2-CB 3.93Å; Y95-A196 HydrophobicContact CE2-CB 3.69Å; Y95-D197 PolarHBondContact N-O 2.94Å; Y95-Y198 AromaticContact CD2-CD1 3.75Å; Y95-Y198 HydrophobicContact CD2-CD1 3.75Å; Y95-Y198 AromaticContact CD2-CE1 3.36Å; Y95-Y198 HydrophobicContact CD2-CE1 3.36Å; Y95-Y198 AromaticContact CE2-CE1 3.94Å; Y95-Y198 HydrophobicContact CE2-CE1 3.94Å; Y95-Y198 HydrophobicContact CG-CD1 4.03Å; Y95-Y198 AromaticContact CG-CE1 3.98Å; Y95-Y198 HydrophobicContact CG-CE1 3.98Å; Y95-S199 PolarHBondContact O-N 3.03Å
96	Q	92.2	Very high	84.6	Confident	105 Å²	105	65.2 Å²	65.2	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.3	170.9	-66.9	-175.8	1.8	0	0	108.6
97	F	92.7	Very high	86.4	Confident	10 Å²	10	61.8 Å²	61.8	4%	0.044	33%	0.327	C	S	.	.			trans	-118	162.2	178.9	-66.4	-53.6	0	0	0	110.9	I61 F71 Y95 F101 Y198 S199 Y200 G202	I61-F97 HydrophobicContact CD1-CZ 4.1Å; F71-F97 HydrophobicContact CB-CE1 4.01Å; F71-F97 HydrophobicContact CB-CZ 4.45Å; Y95-F97 HydrophobicContact CD1-CE2 4.01Å; Y95-F97 AromaticContact CD1-CZ 3.69Å; Y95-F97 HydrophobicContact CD1-CZ 3.69Å; Y95-F97 HydrophobicContact CE1-CZ 4.45Å; Y95-F97 AromaticContact CG-CE2 3.88Å; Y95-F97 HydrophobicContact CG-CE2 3.88Å; Y95-F97 HydrophobicContact CG-CZ 4.06Å; F97-F101 HydrophobicContact CB-CB 3.91Å; F97-F101 HydrophobicContact CB-CD2 4.2Å; F97-F101 HydrophobicContact CB-CG 3.98Å; F97-F101 AromaticContact CD1-CD2 3.69Å; F97-F101 HydrophobicContact CD1-CD2 3.69Å; F97-F101 AromaticContact CD1-CE2 3.85Å; F97-F101 HydrophobicContact CD1-CE2 3.85Å; F97-F101 HydrophobicContact CD1-CG 4.31Å; F97-F101 HydrophobicContact CD2-CD1 4.17Å; F97-F101 HydrophobicContact CD2-CD2 4.22Å; F97-F101 HydrophobicContact CD2-CE1 4.12Å; F97-F101 HydrophobicContact CD2-CE2 4.17Å; F97-F101 HydrophobicContact CD2-CG 4.22Å; F97-F101 HydrophobicContact CD2-CZ 4.12Å; F97-F101 HydrophobicContact CE1-CD2 4.05Å; F97-F101 AromaticContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CZ 4.32Å; F97-F101 HydrophobicContact CE2-CE1 4.17Å; F97-F101 HydrophobicContact CE2-CE2 4.04Å; F97-F101 AromaticContact CE2-CZ 3.83Å; F97-F101 HydrophobicContact CE2-CZ 3.83Å; F97-F101 HydrophobicContact CG-CB 4.41Å; F97-F101 HydrophobicContact CG-CD1 4.35Å; F97-F101 AromaticContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CE2 4.09Å; F97-F101 AromaticContact CG-CG 3.93Å; F97-F101 HydrophobicContact CG-CG 3.93Å; F97-F101 HydrophobicContact CG-CZ 4.48Å; F97-F101 HydrophobicContact CZ-CD2 4.47Å; F97-F101 AromaticContact CZ-CE2 3.82Å; F97-F101 HydrophobicContact CZ-CE2 3.82Å; F97-F101 AromaticContact CZ-CZ 3.96Å; F97-F101 HydrophobicContact CZ-CZ 3.96Å; F97-Y198 HydrophobicContact CD2-CD1 4.25Å; F97-Y198 AromaticContact CE2-CD1 3.92Å; F97-Y198 HydrophobicContact CE2-CD1 3.92Å; F97-Y198 HydrophobicContact CE2-CE1 4.31Å; F97-S199 PolarHBondContact N-O 2.94Å; F97-Y200 HydrophobicContact CB-CD1 4Å; F97-Y200 HydrophobicContact CB-CE1 4.4Å; F97-Y200 HydrophobicContact CD2-CE1 4.16Å; F97-Y200 CarbonylContact O-C 3.57Å; F97-Y200 VanDerWaalsContact O-C 3.29Å; F97-Y200 VanDerWaalsContact O-CA 3.27Å; F97-Y200 WeakPolarHBondContact O-CA 3.41Å; F97-G202 PolarHBondContact O-N 3.02Å; F97-G202 VanDerWaalsContact O-N 3.09Å
98	T	92.3	Very high	88.2	Confident	71 Å²	71	58.1 Å²	58.1	44%	0.436	30%	0.303	S	S	.	.			trans	-84.7	159	171.6	60.7	0	0	0	0	111.1	A100 F101	T98-A100 PolarHBondContact O-N 3.27Å; T98-A100 VanDerWaalsContact O-N 3.1Å; T98-F101 WeakPolarHBondContact O-CB 3.31Å; T98-F101 PolarHBondContact O-N 2.7Å
99	P	92.9	Very high	89.7	Confident	51 Å²	51	55 Å²	55	33%	0.331	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-53	-34.1	174.7	-27.9	34.4	0	0	0	114.1	F101 L102 I172 Y200	P99-F101 PolarHBondContact O-N 2.74Å; P99-F101 VanDerWaalsContact O-N 3.08Å; P99-L102 PolarHBondContact O-N 2.83Å; P99-L102 VanDerWaalsContact O-N 3.12Å; P99-I172 HydrophobicContact CB-CD1 3.83Å; P99-I172 HydrophobicContact CB-CG1 4.28Å; P99-I172 HydrophobicContact CG-CD1 4.43Å; P99-I172 HydrophobicContact CG-CG2 4.48Å; P99-Y200 WeakPolarHBondContact CD-O 3.49Å; P99-Y200 VanDerWaalsContact CG-O 3.22Å; P99-Y200 WeakPolarHBondContact CG-O 3.24Å; P99-Y200 VanDerWaalsContact N-O 3.16Å
100	A	91.2	Very high	91.1	Very high	57 Å²	57	52.1 Å²	52.1	47%	0.471	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58	-22.6	178	0	0	0	0	0	113.4	T98 L102 Q103	T98-A100 PolarHBondContact O-N 3.27Å; T98-A100 VanDerWaalsContact O-N 3.1Å; A100-L102 VanDerWaalsContact C-N 3.28Å; A100-L102 PolarHBondContact O-N 2.87Å; A100-Q103 PolarHBondContact O-N 3.22Å
101	F	92.3	Very high	91.9	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.075	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-61.7	-36.2	177.6	-169.2	-86.1	0	0	0	112.2	L70 F97 T98 P99 Q103 L104 F160 Y200	L70-F101 HydrophobicContact CB-CE2 4.41Å; L70-F101 HydrophobicContact CD1-CD2 3.92Å; L70-F101 HydrophobicContact CD1-CE2 3.76Å; F97-F101 HydrophobicContact CB-CB 3.91Å; F97-F101 HydrophobicContact CB-CD2 4.2Å; F97-F101 HydrophobicContact CB-CG 3.98Å; F97-F101 AromaticContact CD1-CD2 3.69Å; F97-F101 HydrophobicContact CD1-CD2 3.69Å; F97-F101 AromaticContact CD1-CE2 3.85Å; F97-F101 HydrophobicContact CD1-CE2 3.85Å; F97-F101 HydrophobicContact CD1-CG 4.31Å; F97-F101 HydrophobicContact CD2-CD1 4.17Å; F97-F101 HydrophobicContact CD2-CD2 4.22Å; F97-F101 HydrophobicContact CD2-CE1 4.12Å; F97-F101 HydrophobicContact CD2-CE2 4.17Å; F97-F101 HydrophobicContact CD2-CG 4.22Å; F97-F101 HydrophobicContact CD2-CZ 4.12Å; F97-F101 HydrophobicContact CE1-CD2 4.05Å; F97-F101 AromaticContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CZ 4.32Å; F97-F101 HydrophobicContact CE2-CE1 4.17Å; F97-F101 HydrophobicContact CE2-CE2 4.04Å; F97-F101 AromaticContact CE2-CZ 3.83Å; F97-F101 HydrophobicContact CE2-CZ 3.83Å; F97-F101 HydrophobicContact CG-CB 4.41Å; F97-F101 HydrophobicContact CG-CD1 4.35Å; F97-F101 AromaticContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CE2 4.09Å; F97-F101 AromaticContact CG-CG 3.93Å; F97-F101 HydrophobicContact CG-CG 3.93Å; F97-F101 HydrophobicContact CG-CZ 4.48Å; F97-F101 HydrophobicContact CZ-CD2 4.47Å; F97-F101 AromaticContact CZ-CE2 3.82Å; F97-F101 HydrophobicContact CZ-CE2 3.82Å; F97-F101 AromaticContact CZ-CZ 3.96Å; F97-F101 HydrophobicContact CZ-CZ 3.96Å; T98-F101 WeakPolarHBondContact O-CB 3.31Å; T98-F101 PolarHBondContact O-N 2.7Å; P99-F101 PolarHBondContact O-N 2.74Å; P99-F101 VanDerWaalsContact O-N 3.08Å; F101-Q103 PolarHBondContact O-N 3.19Å; F101-L104 HydrophobicContact CD2-CD1 3.91Å; F101-L104 HydrophobicContact CE2-CD1 4.32Å; F101-L104 HydrophobicContact CG-CD1 4.22Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 WeakPolarHBondContact O-CG 3.31Å; F101-L104 PolarHBondContact O-N 3.17Å; F101-F160 AromaticContact CD1-CE2 3.85Å; F101-F160 HydrophobicContact CD1-CE2 3.85Å; F101-F160 HydrophobicContact CD1-CZ 4.23Å; F101-F160 AromaticContact CE1-CE2 3.5Å; F101-F160 HydrophobicContact CE1-CE2 3.5Å; F101-F160 AromaticContact CE1-CZ 3.41Å; F101-F160 HydrophobicContact CE1-CZ 3.41Å; F101-F160 VanDerWaalsContact CE1-CZ 3.41Å; F101-F160 HydrophobicContact CZ-CE2 4.11Å; F101-F160 AromaticContact CZ-CZ 3.68Å; F101-F160 HydrophobicContact CZ-CZ 3.68Å; F101-F160 WeakPolarHBondContact O-CE2 3.4Å; F101-Y200 HydrophobicContact CD1-CD1 4.42Å; F101-Y200 AromaticContact CD1-CE1 3.91Å; F101-Y200 HydrophobicContact CD1-CE1 3.91Å; F101-Y200 HydrophobicContact CE1-CE1 4.49Å
102	L	92.3	Very high	92.2	Very high	15 Å²	15	50 Å²	50	8%	0.079	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-70.5	-15.1	-179.7	-63.3	176.4	0	0	0	113.3	P99 A100 L163 M168 M171 I172 Y200	P99-L102 PolarHBondContact O-N 2.83Å; P99-L102 VanDerWaalsContact O-N 3.12Å; A100-L102 VanDerWaalsContact C-N 3.28Å; A100-L102 PolarHBondContact O-N 2.87Å; L102-L163 HydrophobicContact CD2-CD1 4.16Å; L102-M168 HydrophobicContact CB-CG 4.08Å; L102-M168 HydrophobicContact CB-SD 3.96Å; L102-M168 HydrophobicContact CD1-CB 4.09Å; L102-M168 HydrophobicContact CD1-CG 4.27Å; L102-M171 HydrophobicContact CD1-CB 4.14Å; L102-M171 HydrophobicContact CD2-CE 3.62Å; L102-M171 HydrophobicContact CD2-SD 4.36Å; L102-I172 HydrophobicContact CD1-CD1 4.2Å; L102-I172 HydrophobicContact CD1-CG1 3.86Å; L102-Y200 HydrophobicContact CD1-CD1 4.31Å; L102-Y200 HydrophobicContact CD1-CD2 4.21Å; L102-Y200 HydrophobicContact CD1-CG 3.93Å; L102-Y200 HydrophobicContact CD2-CD1 3.71Å; L102-Y200 HydrophobicContact CD2-CD2 4.16Å; L102-Y200 HydrophobicContact CD2-CE1 3.55Å; L102-Y200 HydrophobicContact CD2-CE2 4.02Å; L102-Y200 HydrophobicContact CD2-CG 4Å; L102-Y200 HydrophobicContact CG-CD1 3.82Å; L102-Y200 HydrophobicContact CG-CD2 4.48Å; L102-Y200 HydrophobicContact CG-CE1 4.19Å; L102-Y200 HydrophobicContact CG-CG 3.97Å
103	Q	90.6	Very high	92.2	Very high	143 Å²	143	46 Å²	46	67%	0.668	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-94.5	-6	179.4	-61.5	-179.8	-5	0	0	112.7	A100 F101 M168	A100-Q103 PolarHBondContact O-N 3.22Å; F101-Q103 PolarHBondContact O-N 3.19Å; Q103-M168 HydrophobicContact CG-SD 4.39Å
104	L	90.6	Very high	92.3	Very high	31 Å²	31	46.1 Å²	46.1	16%	0.162	23%	0.226	C	C	.	.			trans	-67.7	138.9	179.6	-63.6	174.2	0	0	0	110.4	D63 L70 F101 V107 F160	D63-L104 HydrophobicContact CB-CD2 4.38Å; L70-L104 HydrophobicContact CD1-CD1 3.33Å; F101-L104 HydrophobicContact CD2-CD1 3.91Å; F101-L104 HydrophobicContact CE2-CD1 4.32Å; F101-L104 HydrophobicContact CG-CD1 4.22Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 WeakPolarHBondContact O-CG 3.31Å; F101-L104 PolarHBondContact O-N 3.17Å; L104-V107 HydrophobicContact CB-CG1 4.28Å; L104-V107 HydrophobicContact CD1-CG1 3.71Å; L104-F160 HydrophobicContact CB-CD2 4.19Å; L104-F160 HydrophobicContact CB-CE2 4.14Å; L104-F160 WeakPolarHBondContact O-CB 3.28Å; L104-F160 VanDerWaalsContact O-CD2 3.25Å; L104-F160 WeakPolarHBondContact O-CD2 3.32Å
105	R	89.6	Confident	92.3	Very high	174 Å²	174	40 Å²	40	66%	0.657	20%	0.204	S	C	*	.	S	Bend	trans	-81.2	-43.6	176.8	-166.4	173.2	77.5	121.5	11.8	111.9	E65 F160	E65-R105 IonicContact OE1-CZ 3.08Å; E65-R105 IonicContact OE1-NE 3.36Å; E65-R105 PolarHBondContact OE1-NE 3.15Å; E65-R105 VanDerWaalsContact OE1-NE 3.08Å; R105-F160 PolarHBondContact O-N 2.66Å
106	Q	92.4	Very high	92.3	Very high	32 Å²	32	39.2 Å²	39.2	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	135.6	-173.2	-165.9	178.8	47.8	0	0	111	M64 I157 Y158 E159	M64-Q106 HydrophobicContact CB-CB 4.27Å; M64-Q106 HydrophobicContact CB-CG 4.33Å; M64-Q106 HydrophobicContact CG-CB 4.47Å; M64-Q106 HydrophobicContact CG-CG 4.08Å; M64-Q106 PolarHBondContact N-O 2.95Å; Q106-I157 HydrophobicContact CG-CG2 3.53Å; Q106-Y158 VanDerWaalsContact CA-O 3.24Å; Q106-Y158 WeakPolarHBondContact CA-O 3.14Å; Q106-Y158 WeakPolarHBondContact CG-O 3.27Å; Q106-E159 HydrophobicContact CG-CG 4.37Å
107	V	93.9	Very high	92.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.6	172.4	-58.6	0	0	0	0	110.7	I61 R62 L70 L104 Y158 F160	I61-V107 HydrophobicContact CG2-CB 3.91Å; I61-V107 HydrophobicContact CG2-CG1 4.4Å; I61-V107 HydrophobicContact CG2-CG2 4.09Å; R62-V107 CarbonylContact O-C 3.57Å; R62-V107 VanDerWaalsContact O-CA 3.31Å; R62-V107 WeakPolarHBondContact O-CA 3.49Å; R62-V107 WeakPolarHBondContact O-CB 3.48Å; L70-V107 HydrophobicContact CD1-CG1 3.94Å; L104-V107 HydrophobicContact CB-CG1 4.28Å; L104-V107 HydrophobicContact CD1-CG1 3.71Å; V107-Y158 HydrophobicContact CG2-CD2 4.34Å; V107-Y158 HydrophobicContact CG2-CG 4.22Å; V107-Y158 PolarHBondContact N-O 2.93Å; V107-Y158 PolarHBondContact O-N 3.02Å; V107-F160 HydrophobicContact CG1-CE1 4.43Å; V107-F160 HydrophobicContact CG1-CE2 4.48Å; V107-F160 HydrophobicContact CG1-CZ 4.02Å; V107-F160 HydrophobicContact CG2-CE1 3.54Å; V107-F160 HydrophobicContact CG2-CZ 3.74Å
108	G	94.8	Very high	92.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.4	173	0	0	0	0	0	109.6	I61 R62 H156	I61-G108 WeakPolarHBondContact CA-O 3.45Å; R62-G108 PolarHBondContact N-O 3.16Å; R62-G108 PolarHBondContact O-N 3.16Å; G108-H156 CarbonylContact C-O 3.54Å; G108-H156 WeakPolarHBondContact CA-O 3.47Å
109	A	93.9	Very high	92.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109.4	173.2	0	0	0	0	0	110.1	F59 K60 I61 E155 H156 Y158	F59-A109 HydrophobicContact CE2-CB 3.82Å; F59-A109 HydrophobicContact CZ-CB 4.13Å; K60-A109 CarbonylContact O-C 3.54Å; K60-A109 VanDerWaalsContact O-CA 3.28Å; K60-A109 WeakPolarHBondContact O-CA 3.41Å; I61-A109 HydrophobicContact CG1-CB 4.31Å; A109-E155 CarbonylContact O-C 3.53Å; A109-E155 WeakPolarHBondContact O-CA 3.38Å; A109-H156 PolarHBondContact N-O 3.18Å; A109-H156 PolarHBondContact O-N 3.27Å; A109-Y158 HydrophobicContact CB-CD2 4.04Å; A109-Y158 HydrophobicContact CB-CE2 3.53Å
110	T	93	Very high	92	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.8	170.7	-47.8	0	0	0	0	109.3	M1 F59 K60 T153 C154 E155	M1-T110 HydrophobicContact CE-CG2 4.02Å; F59-T110 WeakPolarHBondContact CA-O 3.37Å; K60-T110 PolarHBondContact N-O 3.45Å; K60-T110 PolarHBondContact O-N 3.07Å; T110-T153 HydrophobicContact CG2-CG2 3.91Å; T110-C154 WeakPolarHBondContact CA-O 3.09Å; T110-E155 PolarHBondContact OG1-OE1 3.02Å
111	V	92.3	Very high	91.9	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.3	178.6	-170.4	0	0	0	0	108.8	F56 R58 F59 F113 T153 C154	F56-V111 HydrophobicContact CD1-CG1 3.35Å; F56-V111 HydrophobicContact CE1-CG1 3.57Å; R58-V111 WeakPolarHBondContact O-CA 3.38Å; F59-V111 HydrophobicContact CD2-CG2 3.89Å; F59-V111 HydrophobicContact CE2-CG2 4.08Å; V111-F113 HydrophobicContact CG1-CD1 4.27Å; V111-T153 WeakPolarHBondContact O-CA 3.5Å; V111-C154 PolarHBondContact N-O 2.68Å; V111-C154 PolarHBondContact O-N 2.75Å
112	E	92.8	Very high	91.8	Very high	27 Å²	27	42.4 Å²	42.4	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.6	169.5	-56.5	175.6	-165.1	0	0	110.2	T57 R58 K151 N152 T153	T57-E112 PolarHBondContact N-O 2.82Å; T57-E112 PolarHBondContact OG1-O 2.76Å; R58-E112 HydrophobicContact CB-CB 3.92Å; R58-E112 HydrophobicContact CB-CG 4.12Å; R58-E112 WeakPolarHBondContact CD-OE1 3.27Å; R58-E112 IonicContact CZ-OE1 3.46Å; R58-E112 PolarHBondContact N-O 2.86Å; R58-E112 VanDerWaalsContact N-O 3.15Å; R58-E112 IonicContact NH1-OE1 3.46Å; R58-E112 PolarHBondContact NH1-OE1 3.44Å; R58-E112 PolarHBondContact O-N 2.78Å; E112-K151 WeakPolarHBondContact OE2-CE 3.25Å; E112-K151 IonicContact OE2-NZ 3.51Å; E112-K151 PolarHBondContact OE2-NZ 3.17Å; E112-N152 WeakPolarHBondContact CA-O 3.47Å; E112-T153 HydrophobicContact CG-CG2 3.99Å
113	F	92.2	Very high	91.9	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.6	-177.4	60.8	-83.5	0	0	0	111.7	I54 D55 F56 V111 V115 F123 F143 C146 N152 C154	I54-F113 HydrophobicContact CG2-CD2 4.28Å; D55-F113 CarbonylContact O-C 3.55Å; D55-F113 WeakPolarHBondContact O-CA 3.35Å; D55-F113 VanDerWaalsContact O-CB 3.28Å; D55-F113 WeakPolarHBondContact O-CB 3.22Å; F56-F113 HydrophobicContact CD1-CB 3.68Å; F56-F113 HydrophobicContact CD1-CD1 4.47Å; F56-F113 HydrophobicContact CD1-CG 4.34Å; F56-F113 HydrophobicContact CE1-CB 3.97Å; F56-F113 HydrophobicContact CE1-CD1 4.17Å; F56-F113 HydrophobicContact CE1-CG 4.16Å; F56-F113 HydrophobicContact CG-CB 4.4Å; V111-F113 HydrophobicContact CG1-CD1 4.27Å; F113-V115 HydrophobicContact CD2-CG2 3.93Å; F113-V115 HydrophobicContact CE2-CG2 3.87Å; F113-F123 HydrophobicContact CE2-CD1 4.17Å; F113-F123 AromaticContact CE2-CE1 3.96Å; F113-F123 HydrophobicContact CE2-CE1 3.96Å; F113-F123 HydrophobicContact CZ-CD1 4.1Å; F113-F123 HydrophobicContact CZ-CE1 4.01Å; F113-F143 HydrophobicContact CD1-CE1 4.45Å; F113-F143 AromaticContact CE1-CD1 3.68Å; F113-F143 HydrophobicContact CE1-CD1 3.68Å; F113-F143 AromaticContact CE1-CE1 3.71Å; F113-F143 HydrophobicContact CE1-CE1 3.71Å; F113-F143 AromaticContact CZ-CD1 3.79Å; F113-F143 HydrophobicContact CZ-CD1 3.79Å; F113-F143 HydrophobicContact CZ-CE1 4.19Å; F113-C146 HydrophobicContact CE2-CB 4.47Å; F113-N152 HydrophobicContact CD1-CB 4.4Å; F113-N152 HydrophobicContact CD2-CB 4.18Å; F113-N152 HydrophobicContact CE1-CB 3.94Å; F113-N152 HydrophobicContact CE2-CB 3.7Å; F113-N152 HydrophobicContact CZ-CB 3.57Å; F113-N152 PolarHBondContact N-O 2.92Å; F113-N152 PolarHBondContact O-N 3.12Å; F113-C154 HydrophobicContact CE1-CB 4.39Å
114	T	92.8	Very high	92.2	Very high	50 Å²	50	36.2 Å²	36.2	31%	0.307	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	153.1	171.8	54	0	0	0	0	110.3	I54 D55 T57 S150 K151	I54-T114 WeakPolarHBondContact CA-O 3.34Å; D55-T114 PolarHBondContact N-O 3.45Å; D55-T114 PolarHBondContact O-N 2.88Å; T57-T114 HydrophobicContact CG2-CG2 4.28Å; T114-S150 WeakPolarHBondContact CA-O 3.49Å; T114-K151 HydrophobicContact CG2-CB 4.29Å; T114-K151 HydrophobicContact CG2-CG 4.37Å
115	V	92.3	Very high	92.4	Very high	8 Å²	8	35 Å²	35	5%	0.048	18%	0.18	C	C	.	.			trans	-123	145.3	175.4	176.9	0	0	0	0	108.4	F113 I120 C146 S149 S150	F113-V115 HydrophobicContact CD2-CG2 3.93Å; F113-V115 HydrophobicContact CE2-CG2 3.87Å; V115-I120 HydrophobicContact CB-CD1 4.27Å; V115-I120 HydrophobicContact CG1-CD1 3.47Å; V115-I120 VanDerWaalsContact CG1-CD1 3.47Å; V115-I120 HydrophobicContact CG1-CG1 3.74Å; V115-I120 HydrophobicContact CG2-CD1 3.76Å; V115-C146 HydrophobicContact CG2-CB 4.01Å; V115-S149 WeakPolarHBondContact O-CA 3.39Å; V115-S149 PolarHBondContact O-N 2.94Å; V115-S150 PolarHBondContact N-O 3.33Å; V115-S150 VanDerWaalsContact N-O 3.17Å
116	G	92	Very high	92.8	Very high	8 Å²	8	26.7 Å²	26.7	8%	0.082	15%	0.149	C	C	.	.			trans	-68.1	-163.4	174.1	0	0	0	0	0	113.6	H52 T118 P148 S149	H52-G116 WeakPolarHBondContact O-CA 3.44Å; H52-G116 PolarHBondContact O-N 2.76Å; G116-T118 VanDerWaalsContact C-N 3.26Å; G116-T118 PolarHBondContact O-N 2.85Å; G116-P148 CarbonylContact O-C 3.6Å; G116-P148 WeakPolarHBondContact O-CA 3.45Å; G116-S149 PolarHBondContact O-N 3.31Å
117	D	91.6	Very high	93	Very high	118 Å²	118	26 Å²	26	63%	0.631	15%	0.146	S	C	*	.	S	Bend	trans	-76.5	-12	-171.6	-57	-36.2	0	0	0	114.3	P148 S149	D117-P148 WeakPolarHBondContact O-CB 3.33Å; D117-S149 WeakPolarHBondContact CA-OG 3.26Å; D117-S149 PolarHBondContact OD1-OG 3.34Å
118	T	90.4	Very high	93.1	Very high	64 Å²	64	26 Å²	26	39%	0.393	15%	0.146	S	C	.	.	S	Bend	trans	-90.5	131.5	177.4	55.7	0	0	0	0	110.4	H52 G116	H52-T118 PolarHBondContact ND1-OG1 3.27Å; G116-T118 VanDerWaalsContact C-N 3.26Å; G116-T118 PolarHBondContact O-N 2.85Å
119	P	89.5	Confident	93.2	Very high	64 Å²	64	27.1 Å²	27.1	42%	0.416	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-64.7	141.4	174	27.7	-33.5	0	0	0	109.4	F145 P148	P119-F145 HydrophobicContact CB-CE2 4.01Å; P119-F145 HydrophobicContact CB-CZ 4.35Å; P119-P148 HydrophobicContact CB-CG 4.37Å
120	I	92.4	Very high	93.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.7	174.3	-60.5	173.1	0	0	0	108.6	H52 I54 V115 F123 F145 C146 V186	H52-I120 HydrophobicContact CB-CD1 3.76Å; H52-I120 HydrophobicContact CB-CG1 3.9Å; I54-I120 HydrophobicContact CD1-CD1 3.63Å; I54-I120 HydrophobicContact CG1-CD1 3.54Å; V115-I120 HydrophobicContact CB-CD1 4.27Å; V115-I120 HydrophobicContact CG1-CD1 3.47Å; V115-I120 VanDerWaalsContact CG1-CD1 3.47Å; V115-I120 HydrophobicContact CG1-CG1 3.74Å; V115-I120 HydrophobicContact CG2-CD1 3.76Å; I120-F123 HydrophobicContact CG2-CB 3.65Å; I120-F123 HydrophobicContact CG2-CD2 4.47Å; I120-F123 HydrophobicContact CG2-CG 4.26Å; I120-F145 WeakPolarHBondContact O-CA 3.34Å; I120-C146 HydrophobicContact CB-CB 4.15Å; I120-C146 PolarHBondContact N-O 2.84Å; I120-C146 PolarHBondContact O-N 2.81Å; I120-V186 HydrophobicContact CG2-CB 4.18Å; I120-V186 HydrophobicContact CG2-CG1 3.67Å; I120-V186 HydrophobicContact CG2-CG2 3.51Å
121	N	88.1	Confident	93.5	Very high	77 Å²	77	27.7 Å²	27.7	41%	0.412	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.7	168.2	-59.1	-63.6	0	0	0	109.3	F123 F145 D187	N121-F123 VanDerWaalsContact C-N 3.28Å; N121-F123 PolarHBondContact O-N 2.97Å; N121-F123 VanDerWaalsContact O-N 3.14Å; N121-F145 WeakPolarHBondContact OD1-CD2 3.36Å; N121-D187 WeakPolarHBondContact CB-OD1 3.43Å
122	N	90.6	Very high	93.6	Very high	54 Å²	54	32.5 Å²	32.5	29%	0.289	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.1	47.7	174.7	-166	31.8	0	0	0	114	R124 N188	N122-R124 PolarHBondContact O-N 2.81Å; N122-N188 PolarHBondContact ND2-OD1 2.79Å; N122-N188 VanDerWaalsContact ND2-OD1 3.16Å
123	F	94.6	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.7	173.1	-173	-142.6	0	0	0	108.4	I54 F56 F113 I120 N121 F143 G144 Y184 F185 V186	I54-F123 HydrophobicContact CD1-CD2 4.2Å; I54-F123 HydrophobicContact CD1-CE2 3.61Å; I54-F123 HydrophobicContact CD1-CZ 3.9Å; I54-F123 HydrophobicContact CG2-CZ 4.12Å; F56-F123 HydrophobicContact CZ-CZ 4.26Å; F113-F123 HydrophobicContact CE2-CD1 4.17Å; F113-F123 AromaticContact CE2-CE1 3.96Å; F113-F123 HydrophobicContact CE2-CE1 3.96Å; F113-F123 HydrophobicContact CZ-CD1 4.1Å; F113-F123 HydrophobicContact CZ-CE1 4.01Å; I120-F123 HydrophobicContact CG2-CB 3.65Å; I120-F123 HydrophobicContact CG2-CD2 4.47Å; I120-F123 HydrophobicContact CG2-CG 4.26Å; N121-F123 VanDerWaalsContact C-N 3.28Å; N121-F123 PolarHBondContact O-N 2.97Å; N121-F123 VanDerWaalsContact O-N 3.14Å; F123-F143 HydrophobicContact CB-CB 3.94Å; F123-F143 HydrophobicContact CB-CD2 4.44Å; F123-F143 HydrophobicContact CD1-CB 3.55Å; F123-F143 AromaticContact CD1-CD1 3.88Å; F123-F143 HydrophobicContact CD1-CD1 3.88Å; F123-F143 AromaticContact CD1-CD2 3.39Å; F123-F143 HydrophobicContact CD1-CD2 3.39Å; F123-F143 HydrophobicContact CD1-CE1 4.36Å; F123-F143 AromaticContact CD1-CE2 3.91Å; F123-F143 HydrophobicContact CD1-CE2 3.91Å; F123-F143 AromaticContact CD1-CG 3.36Å; F123-F143 HydrophobicContact CD1-CG 3.36Å; F123-F143 HydrophobicContact CD1-CZ 4.35Å; F123-F143 HydrophobicContact CE1-CB 4.47Å; F123-F143 AromaticContact CE1-CD1 3.99Å; F123-F143 HydrophobicContact CE1-CD1 3.99Å; F123-F143 AromaticContact CE1-CD2 3.68Å; F123-F143 HydrophobicContact CE1-CD2 3.68Å; F123-F143 AromaticContact CE1-CE1 3.99Å; F123-F143 HydrophobicContact CE1-CE1 3.99Å; F123-F143 AromaticContact CE1-CE2 3.69Å; F123-F143 HydrophobicContact CE1-CE2 3.69Å; F123-F143 AromaticContact CE1-CG 3.82Å; F123-F143 HydrophobicContact CE1-CG 3.82Å; F123-F143 AromaticContact CE1-CZ 3.82Å; F123-F143 HydrophobicContact CE1-CZ 3.82Å; F123-F143 HydrophobicContact CG-CB 4.09Å; F123-F143 AromaticContact CG-CD2 3.9Å; F123-F143 HydrophobicContact CG-CD2 3.9Å; F123-F143 HydrophobicContact CG-CG 4.15Å; F123-F143 HydrophobicContact CZ-CD2 4.42Å; F123-F143 HydrophobicContact CZ-CE2 4.17Å; F123-F143 HydrophobicContact CZ-CZ 4.42Å; F123-F143 PolarHBondContact O-N 2.99Å; F123-G144 PolarHBondContact N-O 2.86Å; F123-G144 PolarHBondContact O-N 3.23Å; F123-Y184 HydrophobicContact CE2-CD1 4.06Å; F123-Y184 HydrophobicContact CE2-CG 4.49Å; F123-Y184 AromaticContact CZ-CD1 3.72Å; F123-Y184 HydrophobicContact CZ-CD1 3.72Å; F123-Y184 HydrophobicContact CZ-CG 4.48Å; F123-F185 WeakPolarHBondContact CA-O 3.28Å; F123-F185 WeakPolarHBondContact CD2-O 3.1Å; F123-V186 HydrophobicContact CD2-CG2 3.8Å; F123-V186 HydrophobicContact CE2-CG2 4.38Å
124	R	95.6	Very high	93.3	Very high	29 Å²	29	41.5 Å²	41.5	11%	0.109	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.7	-175.4	-179.7	177.2	176.2	-165.6	-2.8	109.7	N122 D140 F141 E142 Y184 F185	N122-R124 PolarHBondContact O-N 2.81Å; R124-D140 IonicContact CZ-OD1 3.44Å; R124-D140 IonicContact CZ-OD2 3.96Å; R124-D140 IonicContact NE-OD1 2.63Å; R124-D140 PolarHBondContact NE-OD1 2.98Å; R124-D140 IonicContact NE-OD2 3.75Å; R124-D140 IonicContact NH2-OD1 3.12Å; R124-D140 PolarHBondContact NH2-OD1 2.92Å; R124-D140 IonicContact NH2-OD2 3.79Å; R124-D140 PolarHBondContact NH2-OD2 2.72Å; R124-F141 CarbonylContact C-O 3.6Å; R124-F141 WeakPolarHBondContact CA-O 3.44Å; R124-F141 WeakPolarHBondContact CG-O 3.45Å; R124-E142 HydrophobicContact CG-CG 4.26Å; R124-Y184 CarbonylContact O-C 3.59Å; R124-Y184 WeakPolarHBondContact O-CA 3.38Å; R124-F185 HydrophobicContact CB-CB 4.48Å; R124-F185 PolarHBondContact N-O 3.19Å; R124-F185 PolarHBondContact O-N 2.92Å
125	M	95.9	Very high	93.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.6	173	176.9	-174.3	83.5	0	0	110	E127 F141 F143 F183 Y184	M125-E127 HydrophobicContact CE-CB 4.19Å; M125-F141 HydrophobicContact CE-CD2 3.42Å; M125-F141 VanDerWaalsContact CE-CD2 3.42Å; M125-F141 HydrophobicContact CE-CE2 3.91Å; M125-F141 HydrophobicContact CE-CG 4.4Å; M125-F141 PolarHBondContact N-O 2.72Å; M125-F141 PolarHBondContact O-N 3.13Å; M125-F143 HydrophobicContact CB-CE2 3.68Å; M125-F143 HydrophobicContact CB-CZ 4.4Å; M125-F183 CarbonylContact C-O 3.57Å; M125-F183 VanDerWaalsContact CA-O 3.26Å; M125-F183 WeakPolarHBondContact CA-O 3.28Å; M125-Y184 HydrophobicContact CB-CD1 3.9Å; M125-Y184 HydrophobicContact CB-CE1 3.98Å; M125-Y184 HydrophobicContact CG-CD1 3.97Å; M125-Y184 HydrophobicContact CG-CE1 3.7Å; M125-Y184 HydrophobicContact SD-CD1 4.24Å; M125-Y184 HydrophobicContact SD-CE1 3.38Å; M125-Y184 WeakPolarHBondContact SD-CE1 3.47Å; M125-Y184 VanDerWaalsContact SD-CZ 3.56Å; M125-Y184 PolarHBondContact SD-OH 2.94Å
126	I	97.1	Very high	93.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.8	167.1	-65.7	167.1	0	0	0	107.2	P30 V33 L34 R128 F139 F183 F185	P30-I126 HydrophobicContact CB-CD1 3.68Å; V33-I126 HydrophobicContact CG2-CB 4.17Å; V33-I126 HydrophobicContact CG2-CD1 3.76Å; V33-I126 HydrophobicContact CG2-CG2 4.08Å; L34-I126 HydrophobicContact CD1-CD1 4.41Å; L34-I126 HydrophobicContact CD2-CD1 4.08Å; L34-I126 HydrophobicContact CD2-CG2 4.08Å; L34-I126 HydrophobicContact CG-CD1 3.96Å; I126-R128 HydrophobicContact CG2-CG 3.99Å; I126-F139 CarbonylContact C-O 3.59Å; I126-F139 WeakPolarHBondContact CA-O 3.27Å; I126-F183 PolarHBondContact N-O 2.81Å; I126-F183 WeakPolarHBondContact O-CD2 3.43Å; I126-F183 PolarHBondContact O-N 3.36Å; I126-F185 HydrophobicContact CB-CE2 4.28Å; I126-F185 HydrophobicContact CD1-CD2 4.49Å; I126-F185 HydrophobicContact CD1-CE2 3.94Å; I126-F185 HydrophobicContact CG1-CE2 4.29Å
127	E	97.1	Very high	93.4	Very high	19 Å²	19	44.1 Å²	44.1	9%	0.089	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.4	178.2	-175.7	174.2	92.9	0	0	110.7	M125 H129 S138 F139 Y158 D181 S182	M125-E127 HydrophobicContact CE-CB 4.19Å; E127-H129 IonicContact OE1-CD2 2.84Å; E127-H129 IonicContact OE1-CE1 2.63Å; E127-H129 IonicContact OE1-NE2 3.83Å; E127-H129 PolarHBondContact OE1-NE2 3.4Å; E127-S138 CarbonylContact O-C 3.56Å; E127-S138 WeakPolarHBondContact O-CA 3.26Å; E127-F139 PolarHBondContact N-O 2.94Å; E127-F139 PolarHBondContact O-N 2.79Å; E127-Y158 VanDerWaalsContact OE1-CE1 3.24Å; E127-Y158 WeakPolarHBondContact OE1-CE1 3.44Å; E127-Y158 PolarHBondContact OE1-OH 3.12Å; E127-D181 CarbonylContact C-O 3.51Å; E127-D181 VanDerWaalsContact CA-O 3.28Å; E127-D181 WeakPolarHBondContact CA-O 3.5Å; E127-S182 PolarHBondContact OE2-OG 3.49Å
128	R	96.6	Very high	93.5	Very high	3 Å²	3	39 Å²	39	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.1	-175.1	-56.9	-176.3	67.9	90.8	-17.2	109.9	V33 L34 L36 I126 Y130 L135 S138 S180 D181 F183	V33-R128 VanDerWaalsContact O-CD 3.24Å; V33-R128 WeakPolarHBondContact O-CD 3.36Å; V33-R128 PolarHBondContact O-NE 2.75Å; L34-R128 VanDerWaalsContact O-CZ 3.26Å; L34-R128 PolarHBondContact O-NH1 2.91Å; L34-R128 VanDerWaalsContact O-NH1 3.13Å; L34-R128 PolarHBondContact O-NH2 3.01Å; L36-R128 PolarHBondContact O-NE 2.9Å; L36-R128 PolarHBondContact O-NH2 3.1Å; I126-R128 HydrophobicContact CG2-CG 3.99Å; R128-Y130 HydrophobicContact CB-CE2 3.63Å; R128-Y130 WeakPolarHBondContact CB-OH 3.18Å; R128-Y130 WeakPolarHBondContact CD-OH 3.39Å; R128-Y130 PolarHBondContact NE-OH 3.15Å; R128-L135 HydrophobicContact CB-CD1 4.13Å; R128-S138 VanDerWaalsContact NH1-CB 3.34Å; R128-S138 PolarHBondContact NH1-OG 3.41Å; R128-S180 CarbonylContact O-C 3.53Å; R128-S180 WeakPolarHBondContact O-CA 3.08Å; R128-S180 VanDerWaalsContact O-CB 3.26Å; R128-S180 WeakPolarHBondContact O-CB 3.24Å; R128-D181 PolarHBondContact N-O 2.69Å; R128-D181 PolarHBondContact O-N 3.01Å; R128-F183 HydrophobicContact CG-CE2 4.37Å
129	H	96.9	Very high	93.7	Very high	23 Å²	23	36.4 Å²	36.4	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133	-179.6	-71.3	-108.5	0	0	0	110.2	E127 L136 K137 F139 Q179 Y198	E127-H129 IonicContact OE1-CD2 2.84Å; E127-H129 IonicContact OE1-CE1 2.63Å; E127-H129 IonicContact OE1-NE2 3.83Å; E127-H129 PolarHBondContact OE1-NE2 3.4Å; H129-L136 HydrophobicContact CB-CB 4.35Å; H129-L136 PolarHBondContact O-N 3.4Å; H129-K137 PolarHBondContact N-O 3.4Å; H129-K137 PolarHBondContact O-N 2.63Å; H129-F139 AromaticContact CD2-CD2 3.84Å; H129-F139 AromaticContact CD2-CE2 3.76Å; H129-Q179 WeakPolarHBondContact CA-O 3.36Å; H129-Y198 AromaticContact CE1-CZ 3.58Å; H129-Y198 PolarHBondContact CE1-OH 3.32Å; H129-Y198 AromaticContact ND1-CE2 3.86Å; H129-Y198 AromaticContact ND1-CZ 3.86Å
130	Y	96.4	Very high	94	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.9	-178.2	-51.6	-89.9	0	0	0	110.4	L36 K38 I39 R128 K134 L135 T178 Q179	L36-Y130 PolarHBondContact O-OH 3.02Å; K38-Y130 PolarHBondContact O-OH 3.47Å; I39-Y130 HydrophobicContact CB-CD2 4Å; I39-Y130 HydrophobicContact CB-CE2 4.42Å; I39-Y130 HydrophobicContact CD1-CD2 3.83Å; I39-Y130 HydrophobicContact CD1-CE2 4.15Å; R128-Y130 HydrophobicContact CB-CE2 3.63Å; R128-Y130 WeakPolarHBondContact CB-OH 3.18Å; R128-Y130 WeakPolarHBondContact CD-OH 3.39Å; R128-Y130 PolarHBondContact NE-OH 3.15Å; Y130-K134 CarbonylContact C-O 3.6Å; Y130-K134 VanDerWaalsContact CA-O 3.24Å; Y130-K134 WeakPolarHBondContact CA-O 3.38Å; Y130-L135 HydrophobicContact CD1-CB 4.08Å; Y130-L135 HydrophobicContact CD1-CD1 3.97Å; Y130-L135 HydrophobicContact CE1-CB 4.08Å; Y130-L135 HydrophobicContact CE1-CD1 3.53Å; Y130-L135 HydrophobicContact CE1-CG 4.41Å; Y130-T178 CarbonylContact O-C 3.54Å; Y130-T178 VanDerWaalsContact O-CA 3.28Å; Y130-T178 WeakPolarHBondContact O-CA 3.45Å; Y130-Q179 PolarHBondContact N-O 3.05Å; Y130-Q179 PolarHBondContact O-N 2.74Å
131	F	96.8	Very high	94	Very high	19 Å²	19	34.4 Å²	34.4	8%	0.083	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.4	164.4	177.7	-115.8	0	0	0	108.3	D133 K134 L136 E170 M171 H174 E177 T178	F131-D133 PolarHBondContact O-N 3.26Å; F131-K134 PolarHBondContact N-O 2.75Å; F131-K134 WeakPolarHBondContact O-CB 3.27Å; F131-K134 PolarHBondContact O-N 3.14Å; F131-L136 HydrophobicContact CB-CD1 3.96Å; F131-L136 HydrophobicContact CB-CD2 4.01Å; F131-L136 HydrophobicContact CB-CG 4.06Å; F131-E170 HydrophobicContact CE1-CB 3.7Å; F131-E170 HydrophobicContact CZ-CB 3.71Å; F131-M171 HydrophobicContact CB-CG 4.44Å; F131-M171 HydrophobicContact CD1-CG 4.05Å; F131-M171 HydrophobicContact CD2-CG 3.73Å; F131-M171 HydrophobicContact CE1-CG 4.21Å; F131-M171 HydrophobicContact CE2-CB 4.41Å; F131-M171 HydrophobicContact CE2-CG 3.89Å; F131-M171 HydrophobicContact CG-CG 3.81Å; F131-M171 HydrophobicContact CZ-CG 4.14Å; F131-H174 HydrophobicContact CE2-CB 4.19Å; F131-H174 HydrophobicContact CZ-CB 4.32Å; F131-E177 HydrophobicContact CD2-CB 4.31Å; F131-E177 HydrophobicContact CE2-CB 3.95Å; F131-T178 VanDerWaalsContact CD2-OG1 3.32Å; F131-T178 WeakPolarHBondContact CD2-OG1 3.42Å
132	R	93.3	Very high	94.1	Very high	110 Å²	110	35.2 Å²	35.2	42%	0.415	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	58	-177.2	-64.5	177.7	163.5	156.6	4.4	113.2	K134 E170 H174 E177	R132-K134 PolarHBondContact O-N 2.76Å; R132-K134 VanDerWaalsContact O-N 3.1Å; R132-E170 IonicContact CZ-OE2 3.04Å; R132-E170 IonicContact NH1-OE2 3.84Å; R132-E170 PolarHBondContact NH1-OE2 3.4Å; R132-H174 PolarHBondContact NH2-CD2 3.41Å; R132-H174 PolarHBondContact NH2-CE1 3.02Å; R132-H174 PolarHBondContact NH2-ND1 3.41Å; R132-H174 PolarHBondContact NH2-NE2 3.23Å; R132-E177 HydrophobicContact CG-CB 4.41Å; R132-E177 VanDerWaalsContact CG-OE2 3.27Å; R132-E177 WeakPolarHBondContact CG-OE2 3.27Å; R132-E177 IonicContact CZ-OE2 3.29Å; R132-E177 PolarHBondContact N-O 2.82Å; R132-E177 IonicContact NE-OE2 3.09Å; R132-E177 PolarHBondContact NE-OE2 3.23Å; R132-E177 IonicContact NH2-OE1 2.79Å; R132-E177 PolarHBondContact NH2-OE1 3.48Å; R132-E177 IonicContact NH2-OE2 2.69Å; R132-E177 PolarHBondContact NH2-OE2 2.65Å; R132-E177 VanDerWaalsContact NH2-OE2 3.17Å
133	D	87.6	Confident	94.1	Very high	79 Å²	79	33 Å²	33	42%	0.422	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	7.7	-179	-63.6	-18.2	0	0	0	116.3	K38 F131	K38-D133 HydrophobicContact CD-CB 3.85Å; K38-D133 WeakPolarHBondContact CE-OD2 3.27Å; K38-D133 HydrophobicContact CG-CB 3.88Å; K38-D133 IonicContact NZ-OD2 3.44Å; K38-D133 PolarHBondContact NZ-OD2 3.22Å; F131-D133 PolarHBondContact O-N 3.26Å
134	K	90.9	Very high	93.6	Very high	140 Å²	140	33.9 Å²	33.9	61%	0.609	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.3	173.5	-173.8	-179.8	176.6	-176.3	0	110.1	Y130 F131 R132 L136	Y130-K134 CarbonylContact C-O 3.6Å; Y130-K134 VanDerWaalsContact CA-O 3.24Å; Y130-K134 WeakPolarHBondContact CA-O 3.38Å; F131-K134 PolarHBondContact N-O 2.75Å; F131-K134 WeakPolarHBondContact O-CB 3.27Å; F131-K134 PolarHBondContact O-N 3.14Å; R132-K134 PolarHBondContact O-N 2.76Å; R132-K134 VanDerWaalsContact O-N 3.1Å; K134-L136 PolarHBondContact O-N 3.44Å
135	L	93.6	Very high	93.2	Very high	48 Å²	48	37.4 Å²	37.4	25%	0.251	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	119.3	172.6	-175.9	71.4	0	0	0	109.9	R128 Y130	R128-L135 HydrophobicContact CB-CD1 4.13Å; Y130-L135 HydrophobicContact CD1-CB 4.08Å; Y130-L135 HydrophobicContact CD1-CD1 3.97Å; Y130-L135 HydrophobicContact CE1-CB 4.08Å; Y130-L135 HydrophobicContact CE1-CD1 3.53Å; Y130-L135 HydrophobicContact CE1-CG 4.41Å
136	L	93.6	Very high	92.9	Very high	34 Å²	34	37.4 Å²	37.4	18%	0.178	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-48.9	172	-64	179.6	0	0	0	110.2	H129 F131 K134 L163 T167 M171 T178	H129-L136 HydrophobicContact CB-CB 4.35Å; H129-L136 PolarHBondContact O-N 3.4Å; F131-L136 HydrophobicContact CB-CD1 3.96Å; F131-L136 HydrophobicContact CB-CD2 4.01Å; F131-L136 HydrophobicContact CB-CG 4.06Å; K134-L136 PolarHBondContact O-N 3.44Å; L136-L163 HydrophobicContact CD2-CD2 4.14Å; L136-T167 HydrophobicContact CD2-CG2 4.4Å; L136-M171 HydrophobicContact CD1-CE 3.7Å; L136-M171 HydrophobicContact CD1-SD 4.13Å; L136-T178 HydrophobicContact CD1-CG2 4.1Å
137	K	93.4	Very high	92.5	Very high	40 Å²	40	42.6 Å²	42.6	17%	0.174	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	145.7	-176.6	-162.3	65.7	170.5	-169.1	0	110.9	N8 H129 F139 P161	N8-K137 WeakPolarHBondContact OD1-CE 3.47Å; N8-K137 PolarHBondContact OD1-NZ 2.79Å; H129-K137 PolarHBondContact N-O 3.4Å; H129-K137 PolarHBondContact O-N 2.63Å; K137-F139 HydrophobicContact CB-CE2 3.93Å; K137-F139 HydrophobicContact CB-CZ 4.07Å; K137-F139 HydrophobicContact CG-CD1 4.27Å; K137-F139 HydrophobicContact CG-CD2 4.22Å; K137-F139 HydrophobicContact CG-CE1 3.77Å; K137-F139 HydrophobicContact CG-CE2 3.71Å; K137-F139 HydrophobicContact CG-CG 4.48Å; K137-F139 HydrophobicContact CG-CZ 3.46Å; K137-F139 VanDerWaalsContact CG-CZ 3.46Å; K137-P161 HydrophobicContact CB-CG 4.21Å; K137-P161 HydrophobicContact CD-CB 4.25Å; K137-P161 HydrophobicContact CD-CG 4.47Å
138	S	94.1	Very high	92.2	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	164.5	-172.8	0	0	0	0	107.8	E127 R128	E127-S138 CarbonylContact O-C 3.56Å; E127-S138 WeakPolarHBondContact O-CA 3.26Å; R128-S138 VanDerWaalsContact NH1-CB 3.34Å; R128-S138 PolarHBondContact NH1-OG 3.41Å
139	F	94.3	Very high	92	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.8	172.2	-58.9	-81.1	0	0	0	109.1	I126 E127 H129 K137 F141 Y158 E159	I126-F139 CarbonylContact C-O 3.59Å; I126-F139 WeakPolarHBondContact CA-O 3.27Å; E127-F139 PolarHBondContact N-O 2.94Å; E127-F139 PolarHBondContact O-N 2.79Å; H129-F139 AromaticContact CD2-CD2 3.84Å; H129-F139 AromaticContact CD2-CE2 3.76Å; K137-F139 HydrophobicContact CB-CE2 3.93Å; K137-F139 HydrophobicContact CB-CZ 4.07Å; K137-F139 HydrophobicContact CG-CD1 4.27Å; K137-F139 HydrophobicContact CG-CD2 4.22Å; K137-F139 HydrophobicContact CG-CE1 3.77Å; K137-F139 HydrophobicContact CG-CE2 3.71Å; K137-F139 HydrophobicContact CG-CG 4.48Å; K137-F139 HydrophobicContact CG-CZ 3.46Å; K137-F139 VanDerWaalsContact CG-CZ 3.46Å; F139-F141 HydrophobicContact CB-CD2 4.07Å; F139-F141 HydrophobicContact CB-CE2 3.38Å; F139-F141 HydrophobicContact CB-CZ 3.9Å; F139-F141 HydrophobicContact CD1-CZ 4.25Å; F139-F141 HydrophobicContact CG-CE2 4.14Å; F139-F141 HydrophobicContact CG-CZ 4.32Å; F139-Y158 HydrophobicContact CB-CE1 4.3Å; F139-Y158 AromaticContact CD1-CD1 3.73Å; F139-Y158 HydrophobicContact CD1-CD1 3.73Å; F139-Y158 HydrophobicContact CD1-CE1 4.34Å; F139-Y158 AromaticContact CD2-CD1 3.69Å; F139-Y158 HydrophobicContact CD2-CD1 3.69Å; F139-Y158 AromaticContact CD2-CE1 3.78Å; F139-Y158 HydrophobicContact CD2-CE1 3.78Å; F139-Y158 AromaticContact CE1-CD1 3.72Å; F139-Y158 HydrophobicContact CE1-CD1 3.72Å; F139-Y158 HydrophobicContact CE1-CG 4.37Å; F139-Y158 AromaticContact CE2-CD1 3.68Å; F139-Y158 HydrophobicContact CE2-CD1 3.68Å; F139-Y158 HydrophobicContact CE2-CE1 4.14Å; F139-Y158 AromaticContact CG-CD1 3.71Å; F139-Y158 HydrophobicContact CG-CD1 3.71Å; F139-Y158 AromaticContact CG-CE1 3.88Å; F139-Y158 HydrophobicContact CG-CE1 3.88Å; F139-Y158 AromaticContact CZ-CD1 3.69Å; F139-Y158 HydrophobicContact CZ-CD1 3.69Å; F139-E159 WeakPolarHBondContact CE1-O 3.33Å
140	D	94.5	Very high	91.7	Very high	23 Å²	23	48.1 Å²	48.1	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	112.2	-178.1	-172.2	3.9	0	0	0	108.3	C7 R124	C7-D140 PolarHBondContact N-O 2.88Å; R124-D140 IonicContact CZ-OD1 3.44Å; R124-D140 IonicContact CZ-OD2 3.96Å; R124-D140 IonicContact NE-OD1 2.63Å; R124-D140 PolarHBondContact NE-OD1 2.98Å; R124-D140 IonicContact NE-OD2 3.75Å; R124-D140 IonicContact NH2-OD1 3.12Å; R124-D140 PolarHBondContact NH2-OD1 2.92Å; R124-D140 IonicContact NH2-OD2 3.79Å; R124-D140 PolarHBondContact NH2-OD2 2.72Å
141	F	92.7	Very high	91.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.6	-175.2	-60.3	-76.2	0	0	0	109.6	Q4 R124 M125 F139 H156 Y158	Q4-F141 HydrophobicContact CB-CD1 4.3Å; R124-F141 CarbonylContact C-O 3.6Å; R124-F141 WeakPolarHBondContact CA-O 3.44Å; R124-F141 WeakPolarHBondContact CG-O 3.45Å; M125-F141 HydrophobicContact CE-CD2 3.42Å; M125-F141 VanDerWaalsContact CE-CD2 3.42Å; M125-F141 HydrophobicContact CE-CE2 3.91Å; M125-F141 HydrophobicContact CE-CG 4.4Å; M125-F141 PolarHBondContact N-O 2.72Å; M125-F141 PolarHBondContact O-N 3.13Å; F139-F141 HydrophobicContact CB-CD2 4.07Å; F139-F141 HydrophobicContact CB-CE2 3.38Å; F139-F141 HydrophobicContact CB-CZ 3.9Å; F139-F141 HydrophobicContact CD1-CZ 4.25Å; F139-F141 HydrophobicContact CG-CE2 4.14Å; F139-F141 HydrophobicContact CG-CZ 4.32Å; F141-H156 HydrophobicContact CD1-CB 3.86Å; F141-H156 AromaticContact CD1-CD2 3.92Å; F141-H156 AromaticContact CD1-CG 3.77Å; F141-H156 HydrophobicContact CD2-CB 4.37Å; F141-H156 AromaticContact CD2-ND1 3.81Å; F141-H156 HydrophobicContact CE1-CB 3.62Å; F141-H156 HydrophobicContact CE2-CB 4.13Å; F141-H156 HydrophobicContact CG-CB 4.22Å; F141-H156 AromaticContact CG-CD2 3.95Å; F141-H156 AromaticContact CG-CG 3.75Å; F141-H156 AromaticContact CG-ND1 3.83Å; F141-H156 HydrophobicContact CZ-CB 3.77Å; F141-Y158 HydrophobicContact CE2-CD1 4.18Å; F141-Y158 AromaticContact CE2-CE1 3.62Å; F141-Y158 HydrophobicContact CE2-CE1 3.62Å; F141-Y158 HydrophobicContact CE2-CE2 4.03Å; F141-Y158 AromaticContact CE2-CZ 3.55Å; F141-Y158 AromaticContact CZ-CD1 3.97Å; F141-Y158 HydrophobicContact CZ-CD1 3.97Å; F141-Y158 HydrophobicContact CZ-CD2 4.02Å; F141-Y158 AromaticContact CZ-CE1 3.86Å; F141-Y158 HydrophobicContact CZ-CE1 3.86Å; F141-Y158 AromaticContact CZ-CE2 3.87Å; F141-Y158 HydrophobicContact CZ-CE2 3.87Å; F141-Y158 HydrophobicContact CZ-CG 4.06Å; F141-Y158 AromaticContact CZ-CZ 3.82Å
142	E	91.5	Very high	91.2	Very high	94 Å²	94	54 Å²	54	44%	0.439	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	152.7	166.2	-63.2	-179.4	172.3	0	0	108.1	Q4 R124	Q4-E142 VanDerWaalsContact CD-C 3.45Å; Q4-E142 WeakPolarHBondContact CG-O 3.42Å; Q4-E142 VanDerWaalsContact NE2-C 3.35Å; Q4-E142 PolarHBondContact NE2-O 2.88Å; Q4-E142 PolarHBondContact OE1-O 3.02Å; R124-E142 HydrophobicContact CG-CG 4.26Å
143	F	89	Confident	91.1	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-28.5	163.6	-62.6	-106.9	0	0	0	108.5	K2 F113 F123 M125 C154 H156	K2-F143 PolarHBondContact NZ-O 3.38Å; F113-F143 HydrophobicContact CD1-CE1 4.45Å; F113-F143 AromaticContact CE1-CD1 3.68Å; F113-F143 HydrophobicContact CE1-CD1 3.68Å; F113-F143 AromaticContact CE1-CE1 3.71Å; F113-F143 HydrophobicContact CE1-CE1 3.71Å; F113-F143 AromaticContact CZ-CD1 3.79Å; F113-F143 HydrophobicContact CZ-CD1 3.79Å; F113-F143 HydrophobicContact CZ-CE1 4.19Å; F123-F143 HydrophobicContact CB-CB 3.94Å; F123-F143 HydrophobicContact CB-CD2 4.44Å; F123-F143 HydrophobicContact CD1-CB 3.55Å; F123-F143 AromaticContact CD1-CD1 3.88Å; F123-F143 HydrophobicContact CD1-CD1 3.88Å; F123-F143 AromaticContact CD1-CD2 3.39Å; F123-F143 HydrophobicContact CD1-CD2 3.39Å; F123-F143 HydrophobicContact CD1-CE1 4.36Å; F123-F143 AromaticContact CD1-CE2 3.91Å; F123-F143 HydrophobicContact CD1-CE2 3.91Å; F123-F143 AromaticContact CD1-CG 3.36Å; F123-F143 HydrophobicContact CD1-CG 3.36Å; F123-F143 HydrophobicContact CD1-CZ 4.35Å; F123-F143 HydrophobicContact CE1-CB 4.47Å; F123-F143 AromaticContact CE1-CD1 3.99Å; F123-F143 HydrophobicContact CE1-CD1 3.99Å; F123-F143 AromaticContact CE1-CD2 3.68Å; F123-F143 HydrophobicContact CE1-CD2 3.68Å; F123-F143 AromaticContact CE1-CE1 3.99Å; F123-F143 HydrophobicContact CE1-CE1 3.99Å; F123-F143 AromaticContact CE1-CE2 3.69Å; F123-F143 HydrophobicContact CE1-CE2 3.69Å; F123-F143 AromaticContact CE1-CG 3.82Å; F123-F143 HydrophobicContact CE1-CG 3.82Å; F123-F143 AromaticContact CE1-CZ 3.82Å; F123-F143 HydrophobicContact CE1-CZ 3.82Å; F123-F143 HydrophobicContact CG-CB 4.09Å; F123-F143 AromaticContact CG-CD2 3.9Å; F123-F143 HydrophobicContact CG-CD2 3.9Å; F123-F143 HydrophobicContact CG-CG 4.15Å; F123-F143 HydrophobicContact CZ-CD2 4.42Å; F123-F143 HydrophobicContact CZ-CE2 4.17Å; F123-F143 HydrophobicContact CZ-CZ 4.42Å; F123-F143 PolarHBondContact O-N 2.99Å; M125-F143 HydrophobicContact CB-CE2 3.68Å; M125-F143 HydrophobicContact CB-CZ 4.4Å; F143-C154 HydrophobicContact CD1-CB 3.65Å; F143-C154 HydrophobicContact CE1-CB 3.86Å; F143-H156 AromaticContact CD1-NE2 3.9Å; F143-H156 AromaticContact CE1-CE1 3.57Å; F143-H156 AromaticContact CE1-NE2 3.52Å; F143-H156 AromaticContact CE2-CE1 3.74Å; F143-H156 AromaticContact CE2-NE2 3.97Å; F143-H156 AromaticContact CZ-CE1 3.22Å; F143-H156 WeakPolarHBondContact CZ-CE1 3.41Å; F143-H156 AromaticContact CZ-NE2 3.58Å
144	G	83.7	Confident	91.2	Very high	20 Å²	20	47.7 Å²	47.7	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-143.2	-176.2	0	0	0	0	0	111.1	F123 C146	F123-G144 PolarHBondContact N-O 2.86Å; F123-G144 PolarHBondContact O-N 3.23Å; G144-C146 PolarHBondContact O-N 2.93Å
145	F	87.8	Confident	91.2	Very high	103 Å²	103	41.5 Å²	41.5	45%	0.452	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.5	179.1	-177.2	-103	0	0	0	112.1	K2 P119 I120 N121 M147	K2-F145 PolarHBondContact NZ-O 3.08Å; P119-F145 HydrophobicContact CB-CE2 4.01Å; P119-F145 HydrophobicContact CB-CZ 4.35Å; I120-F145 WeakPolarHBondContact O-CA 3.34Å; N121-F145 WeakPolarHBondContact OD1-CD2 3.36Å; F145-M147 HydrophobicContact CE1-CG 3.89Å
146	C	90.4	Very high	91.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.1	171.6	-55	0	0	0	0	110	F113 V115 I120 G144	F113-C146 HydrophobicContact CE2-CB 4.47Å; V115-C146 HydrophobicContact CG2-CB 4.01Å; I120-C146 HydrophobicContact CB-CB 4.15Å; I120-C146 PolarHBondContact N-O 2.84Å; I120-C146 PolarHBondContact O-N 2.81Å; G144-C146 PolarHBondContact O-N 2.93Å
147	M	87.5	Confident	91.1	Very high	110 Å²	110	37.8 Å²	37.8	54%	0.542	20%	0.203	S	C	.	.			trans	-68.3	136.1	-179.3	-75.4	-176.8	-64.7	0	0	110.7	F145 S150	F145-M147 HydrophobicContact CE1-CG 3.89Å; M147-S150 VanDerWaalsContact CB-OG 3.27Å; M147-S150 WeakPolarHBondContact CB-OG 3.45Å; M147-S150 PolarHBondContact O-OG 2.84Å
148	P	91.9	Very high	90.9	Very high	51 Å²	51	36.5 Å²	36.5	33%	0.331	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	154.1	175.8	27.8	-33.5	0	0	0	111.3	G116 D117 P119 S150	G116-P148 CarbonylContact O-C 3.6Å; G116-P148 WeakPolarHBondContact O-CA 3.45Å; D117-P148 WeakPolarHBondContact O-CB 3.33Å; P119-P148 HydrophobicContact CB-CG 4.37Å; P148-S150 PolarHBondContact O-N 3.29Å; P148-S150 VanDerWaalsContact O-N 3.07Å
149	S	91.2	Very high	90.8	Very high	82 Å²	82	40.2 Å²	40.2	57%	0.573	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	37.5	176.5	-41.6	0	0	0	0	113	V115 G116 D117	V115-S149 WeakPolarHBondContact O-CA 3.39Å; V115-S149 PolarHBondContact O-N 2.94Å; G116-S149 PolarHBondContact O-N 3.31Å; D117-S149 WeakPolarHBondContact CA-OG 3.26Å; D117-S149 PolarHBondContact OD1-OG 3.34Å
150	S	90.8	Very high	90.5	Very high	27 Å²	27	42 Å²	42	19%	0.189	22%	0.221	C	C	.	.	S	Bend	trans	-136.9	161.3	-172.5	79.3	0	0	0	0	112.5	T114 V115 M147 P148 N152	T114-S150 WeakPolarHBondContact CA-O 3.49Å; V115-S150 PolarHBondContact N-O 3.33Å; V115-S150 VanDerWaalsContact N-O 3.17Å; M147-S150 VanDerWaalsContact CB-OG 3.27Å; M147-S150 WeakPolarHBondContact CB-OG 3.45Å; M147-S150 PolarHBondContact O-OG 2.84Å; P148-S150 PolarHBondContact O-N 3.29Å; P148-S150 VanDerWaalsContact O-N 3.07Å; S150-N152 PolarHBondContact O-ND2 2.6Å; S150-N152 PolarHBondContact OG-ND2 2.79Å; S150-N152 VanDerWaalsContact OG-ND2 3.16Å
151	K	91.8	Very high	90.1	Very high	120 Å²	120	42.7 Å²	42.7	52%	0.522	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	169.5	-172.2	176.8	179.5	-178.2	0	109.4	E112 T114	E112-K151 WeakPolarHBondContact OE2-CE 3.25Å; E112-K151 IonicContact OE2-NZ 3.51Å; E112-K151 PolarHBondContact OE2-NZ 3.17Å; T114-K151 HydrophobicContact CG2-CB 4.29Å; T114-K151 HydrophobicContact CG2-CG 4.37Å
152	N	90.8	Very high	89.8	Confident	24 Å²	24	49.8 Å²	49.8	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.3	-179.4	-65.9	-89.3	0	0	0	109.9	E112 F113 S150	E112-N152 WeakPolarHBondContact CA-O 3.47Å; F113-N152 HydrophobicContact CD1-CB 4.4Å; F113-N152 HydrophobicContact CD2-CB 4.18Å; F113-N152 HydrophobicContact CE1-CB 3.94Å; F113-N152 HydrophobicContact CE2-CB 3.7Å; F113-N152 HydrophobicContact CZ-CB 3.57Å; F113-N152 PolarHBondContact N-O 2.92Å; F113-N152 PolarHBondContact O-N 3.12Å; S150-N152 PolarHBondContact O-ND2 2.6Å; S150-N152 PolarHBondContact OG-ND2 2.79Å; S150-N152 VanDerWaalsContact OG-ND2 3.16Å
153	T	91.6	Very high	89.7	Confident	54 Å²	54	47.1 Å²	47.1	33%	0.331	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.3	177.1	-53.7	0	0	0	0	109.6	M1 T110 V111 E112	M1-T153 HydrophobicContact CG-CG2 4.42Å; T110-T153 HydrophobicContact CG2-CG2 3.91Å; V111-T153 WeakPolarHBondContact O-CA 3.5Å; E112-T153 HydrophobicContact CG-CG2 3.99Å
154	C	89.9	Confident	90	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.027	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.7	175.8	-162.7	0	0	0	0	109.9	T110 V111 F113 F143 H156	T110-C154 WeakPolarHBondContact CA-O 3.09Å; V111-C154 PolarHBondContact N-O 2.68Å; V111-C154 PolarHBondContact O-N 2.75Å; F113-C154 HydrophobicContact CE1-CB 4.39Å; F143-C154 HydrophobicContact CD1-CB 3.65Å; F143-C154 HydrophobicContact CE1-CB 3.86Å; C154-H156 VanDerWaalsContact SG-CD2 3.52Å; C154-H156 PolarHBondContact SG-NE2 3.42Å; C154-H156 VanDerWaalsContact SG-NE2 3.4Å
155	E	91.8	Very high	90.4	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	168.1	176.4	159.9	-82.8	0	0	110.4	M1 K2 V3 Q4 R62 A109 T110 I157	M1-E155 HydrophobicContact CE-CB 3.51Å; M1-E155 VanDerWaalsContact CE-CD 3.49Å; M1-E155 HydrophobicContact CE-CG 4.15Å; M1-E155 WeakPolarHBondContact CE-OE1 3.13Å; K2-E155 PolarHBondContact O-N 2.93Å; V3-E155 CarbonylContact C-O 3.29Å; V3-E155 WeakPolarHBondContact CA-O 3.44Å; V3-E155 HydrophobicContact CG2-CB 4.43Å; Q4-E155 PolarHBondContact N-O 3.1Å; R62-E155 IonicContact CZ-OE1 3.07Å; R62-E155 IonicContact CZ-OE2 3.17Å; R62-E155 IonicContact NH1-OE1 3.2Å; R62-E155 PolarHBondContact NH1-OE1 2.8Å; R62-E155 IonicContact NH1-OE2 2.66Å; R62-E155 IonicContact NH2-OE1 2.75Å; R62-E155 PolarHBondContact NH2-OE1 2.67Å; R62-E155 IonicContact NH2-OE2 3.99Å; R62-E155 PolarHBondContact NH2-OE2 2.99Å; A109-E155 CarbonylContact O-C 3.53Å; A109-E155 WeakPolarHBondContact O-CA 3.38Å; T110-E155 PolarHBondContact OG1-OE1 3.02Å; E155-I157 HydrophobicContact CG-CD1 3.87Å
156	H	91.9	Very high	90.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.5	176.5	-65.7	166.6	0	0	0	109.4	G108 A109 F141 F143 C154 Y158	G108-H156 CarbonylContact C-O 3.54Å; G108-H156 WeakPolarHBondContact CA-O 3.47Å; A109-H156 PolarHBondContact N-O 3.18Å; A109-H156 PolarHBondContact O-N 3.27Å; F141-H156 HydrophobicContact CD1-CB 3.86Å; F141-H156 AromaticContact CD1-CD2 3.92Å; F141-H156 AromaticContact CD1-CG 3.77Å; F141-H156 HydrophobicContact CD2-CB 4.37Å; F141-H156 AromaticContact CD2-ND1 3.81Å; F141-H156 HydrophobicContact CE1-CB 3.62Å; F141-H156 HydrophobicContact CE2-CB 4.13Å; F141-H156 HydrophobicContact CG-CB 4.22Å; F141-H156 AromaticContact CG-CD2 3.95Å; F141-H156 AromaticContact CG-CG 3.75Å; F141-H156 AromaticContact CG-ND1 3.83Å; F141-H156 HydrophobicContact CZ-CB 3.77Å; F143-H156 AromaticContact CD1-NE2 3.9Å; F143-H156 AromaticContact CE1-CE1 3.57Å; F143-H156 AromaticContact CE1-NE2 3.52Å; F143-H156 AromaticContact CE2-CE1 3.74Å; F143-H156 AromaticContact CE2-NE2 3.97Å; F143-H156 AromaticContact CZ-CE1 3.22Å; F143-H156 WeakPolarHBondContact CZ-CE1 3.41Å; F143-H156 AromaticContact CZ-NE2 3.58Å; C154-H156 VanDerWaalsContact SG-CD2 3.52Å; C154-H156 PolarHBondContact SG-NE2 3.42Å; C154-H156 VanDerWaalsContact SG-NE2 3.4Å; H156-Y158 HydrophobicContact CB-CD2 4.2Å; H156-Y158 HydrophobicContact CB-CE2 3.62Å
157	I	91.6	Very high	90.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.5	177.3	-54.1	-56.2	0	0	0	108	V3 Q4 G6 M64 Q106 E155	V3-I157 HydrophobicContact CG1-CD1 4.04Å; V3-I157 HydrophobicContact CG1-CG1 3.6Å; Q4-I157 PolarHBondContact O-N 3.13Å; G6-I157 PolarHBondContact N-O 3.33Å; G6-I157 VanDerWaalsContact N-O 3.16Å; M64-I157 HydrophobicContact CE-CD1 3.83Å; M64-I157 HydrophobicContact SD-CD1 3.99Å; Q106-I157 HydrophobicContact CG-CG2 3.53Å; E155-I157 HydrophobicContact CG-CD1 3.87Å
158	Y	91	Very high	91.2	Very high	14 Å²	14	53.2 Å²	53.2	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.4	179.5	-70.2	-102.4	0	0	0	109.2	Q106 V107 A109 E127 F139 F141 H156	Q106-Y158 VanDerWaalsContact CA-O 3.24Å; Q106-Y158 WeakPolarHBondContact CA-O 3.14Å; Q106-Y158 WeakPolarHBondContact CG-O 3.27Å; V107-Y158 HydrophobicContact CG2-CD2 4.34Å; V107-Y158 HydrophobicContact CG2-CG 4.22Å; V107-Y158 PolarHBondContact N-O 2.93Å; V107-Y158 PolarHBondContact O-N 3.02Å; A109-Y158 HydrophobicContact CB-CD2 4.04Å; A109-Y158 HydrophobicContact CB-CE2 3.53Å; E127-Y158 VanDerWaalsContact OE1-CE1 3.24Å; E127-Y158 WeakPolarHBondContact OE1-CE1 3.44Å; E127-Y158 PolarHBondContact OE1-OH 3.12Å; F139-Y158 HydrophobicContact CB-CE1 4.3Å; F139-Y158 AromaticContact CD1-CD1 3.73Å; F139-Y158 HydrophobicContact CD1-CD1 3.73Å; F139-Y158 HydrophobicContact CD1-CE1 4.34Å; F139-Y158 AromaticContact CD2-CD1 3.69Å; F139-Y158 HydrophobicContact CD2-CD1 3.69Å; F139-Y158 AromaticContact CD2-CE1 3.78Å; F139-Y158 HydrophobicContact CD2-CE1 3.78Å; F139-Y158 AromaticContact CE1-CD1 3.72Å; F139-Y158 HydrophobicContact CE1-CD1 3.72Å; F139-Y158 HydrophobicContact CE1-CG 4.37Å; F139-Y158 AromaticContact CE2-CD1 3.68Å; F139-Y158 HydrophobicContact CE2-CD1 3.68Å; F139-Y158 HydrophobicContact CE2-CE1 4.14Å; F139-Y158 AromaticContact CG-CD1 3.71Å; F139-Y158 HydrophobicContact CG-CD1 3.71Å; F139-Y158 AromaticContact CG-CE1 3.88Å; F139-Y158 HydrophobicContact CG-CE1 3.88Å; F139-Y158 AromaticContact CZ-CD1 3.69Å; F139-Y158 HydrophobicContact CZ-CD1 3.69Å; F141-Y158 HydrophobicContact CE2-CD1 4.18Å; F141-Y158 AromaticContact CE2-CE1 3.62Å; F141-Y158 HydrophobicContact CE2-CE1 3.62Å; F141-Y158 HydrophobicContact CE2-CE2 4.03Å; F141-Y158 AromaticContact CE2-CZ 3.55Å; F141-Y158 AromaticContact CZ-CD1 3.97Å; F141-Y158 HydrophobicContact CZ-CD1 3.97Å; F141-Y158 HydrophobicContact CZ-CD2 4.02Å; F141-Y158 AromaticContact CZ-CE1 3.86Å; F141-Y158 HydrophobicContact CZ-CE1 3.86Å; F141-Y158 AromaticContact CZ-CE2 3.87Å; F141-Y158 HydrophobicContact CZ-CE2 3.87Å; F141-Y158 HydrophobicContact CZ-CG 4.06Å; F141-Y158 AromaticContact CZ-CZ 3.82Å; H156-Y158 HydrophobicContact CB-CD2 4.2Å; H156-Y158 HydrophobicContact CB-CE2 3.62Å
159	E	90.4	Very high	91.4	Very high	88 Å²	88	56.8 Å²	56.8	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.6	170.1	-66.6	-177.8	-178.5	0	0	109.2	Q106 F139	Q106-E159 HydrophobicContact CG-CG 4.37Å; F139-E159 WeakPolarHBondContact CE1-O 3.33Å
160	F	88.4	Confident	91.7	Very high	47 Å²	47	55.5 Å²	55.5	21%	0.206	28%	0.282	C	S	.	.			trans	-71.5	142.8	-173.9	-78.3	12.1	0	0	0	110.9	F101 L104 R105 V107	F101-F160 AromaticContact CD1-CE2 3.85Å; F101-F160 HydrophobicContact CD1-CE2 3.85Å; F101-F160 HydrophobicContact CD1-CZ 4.23Å; F101-F160 AromaticContact CE1-CE2 3.5Å; F101-F160 HydrophobicContact CE1-CE2 3.5Å; F101-F160 AromaticContact CE1-CZ 3.41Å; F101-F160 HydrophobicContact CE1-CZ 3.41Å; F101-F160 VanDerWaalsContact CE1-CZ 3.41Å; F101-F160 HydrophobicContact CZ-CE2 4.11Å; F101-F160 AromaticContact CZ-CZ 3.68Å; F101-F160 HydrophobicContact CZ-CZ 3.68Å; F101-F160 WeakPolarHBondContact O-CE2 3.4Å; L104-F160 HydrophobicContact CB-CD2 4.19Å; L104-F160 HydrophobicContact CB-CE2 4.14Å; L104-F160 WeakPolarHBondContact O-CB 3.28Å; L104-F160 VanDerWaalsContact O-CD2 3.25Å; L104-F160 WeakPolarHBondContact O-CD2 3.32Å; R105-F160 PolarHBondContact O-N 2.66Å; V107-F160 HydrophobicContact CG1-CE1 4.43Å; V107-F160 HydrophobicContact CG1-CE2 4.48Å; V107-F160 HydrophobicContact CG1-CZ 4.02Å; V107-F160 HydrophobicContact CG2-CE1 3.54Å; V107-F160 HydrophobicContact CG2-CZ 3.74Å
161	P	86.7	Confident	92	Very high	36 Å²	36	54.3 Å²	54.3	23%	0.234	27%	0.274	C	S	.	.			trans	-64.4	150.4	170.8	29.4	-34.1	0	0	0	110.1	K137 L163	K137-P161 HydrophobicContact CB-CG 4.21Å; K137-P161 HydrophobicContact CD-CB 4.25Å; K137-P161 HydrophobicContact CD-CG 4.47Å; P161-L163 HydrophobicContact CG-CD2 3.99Å; P161-L163 HydrophobicContact CG-CG 4.33Å; P161-L163 PolarHBondContact O-N 3.25Å; P161-L163 VanDerWaalsContact O-N 3.1Å
162	T	85.9	Confident	92.1	Very high	149 Å²	149	51 Å²	51	91%	0.914	26%	0.261	S	S	*	.			trans	-70.9	106.1	166.6	-49.7	0	0	0	0	108.8
163	L	90.6	Very high	92.4	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.199	28%	0.281	C	S	.	.			trans	-87.5	145.6	175.5	-60.9	175.7	0	0	0	110.1	L102 L136 P161 T167 M168 M171	L102-L163 HydrophobicContact CD2-CD1 4.16Å; L136-L163 HydrophobicContact CD2-CD2 4.14Å; P161-L163 HydrophobicContact CG-CD2 3.99Å; P161-L163 HydrophobicContact CG-CG 4.33Å; P161-L163 PolarHBondContact O-N 3.25Å; P161-L163 VanDerWaalsContact O-N 3.1Å; L163-T167 HydrophobicContact CD2-CG2 4.28Å; L163-M168 HydrophobicContact CB-CG 3.71Å; L163-M168 HydrophobicContact CB-SD 4.39Å; L163-M168 HydrophobicContact CD1-CG 4.18Å; L163-M171 HydrophobicContact CD1-CE 4.37Å; L163-M171 HydrophobicContact CD1-SD 3.95Å
164	S	93.4	Very high	92.7	Very high	59 Å²	59	55.2 Å²	55.2	41%	0.413	28%	0.277	S	S	.	.			trans	-74.6	152.5	171.4	71.2	0	0	0	0	110.7	E166 T167 M168	S164-E166 PolarHBondContact O-N 3.36Å; S164-T167 PolarHBondContact O-N 3.3Å; S164-T167 PolarHBondContact OG-N 3.07Å; S164-T167 VanDerWaalsContact OG-N 3.16Å; S164-T167 PolarHBondContact OG-OG1 3.04Å; S164-T167 VanDerWaalsContact OG-OG1 3.08Å; S164-M168 PolarHBondContact O-N 2.96Å
165	E	93	Very high	93	Very high	131 Å²	131	57.5 Å²	57.5	61%	0.612	29%	0.291	S	S	*	.	H	α-helix	trans	-52.7	-36.2	173.8	-70.8	-64.6	148.7	0	0	112.7	M168 R169	E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 WeakPolarHBondContact OE1-CE 3.3Å; E165-R169 VanDerWaalsContact O-CB 3.32Å; E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 PolarHBondContact O-N 3.16Å
166	E	94.9	Very high	93.2	Very high	131 Å²	131	60.3 Å²	60.3	61%	0.612	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-46.9	175.7	-174.8	-179.7	-174.4	0	0	112	S164 M168 R169 E170	S164-E166 PolarHBondContact O-N 3.36Å; E166-M168 PolarHBondContact O-N 3.14Å; E166-R169 PolarHBondContact O-N 3.34Å; E166-E170 WeakPolarHBondContact O-CG 3.36Å; E166-E170 PolarHBondContact O-N 3.46Å
167	T	94.1	Very high	93.4	Very high	32 Å²	32	63.7 Å²	63.7	20%	0.196	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-43.2	177.9	-62.7	0	0	0	0	111.2	L136 L163 S164 R169 E170 M171	L136-T167 HydrophobicContact CD2-CG2 4.4Å; L163-T167 HydrophobicContact CD2-CG2 4.28Å; S164-T167 PolarHBondContact O-N 3.3Å; S164-T167 PolarHBondContact OG-N 3.07Å; S164-T167 VanDerWaalsContact OG-N 3.16Å; S164-T167 PolarHBondContact OG-OG1 3.04Å; S164-T167 VanDerWaalsContact OG-OG1 3.08Å; T167-R169 VanDerWaalsContact C-N 3.33Å; T167-R169 PolarHBondContact O-N 3.3Å; T167-E170 PolarHBondContact O-N 3.32Å; T167-M171 HydrophobicContact CG2-CG 4.36Å; T167-M171 HydrophobicContact CG2-SD 3.81Å; T167-M171 VanDerWaalsContact O-CG 3.26Å; T167-M171 WeakPolarHBondContact O-CG 3.43Å; T167-M171 PolarHBondContact O-N 3.37Å
168	M	94.3	Very high	93.7	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-44	176	-69.7	-170.4	-72.7	0	0	111.6	L102 Q103 L163 S164 E165 E166 E170 M171 I172	L102-M168 HydrophobicContact CB-CG 4.08Å; L102-M168 HydrophobicContact CB-SD 3.96Å; L102-M168 HydrophobicContact CD1-CB 4.09Å; L102-M168 HydrophobicContact CD1-CG 4.27Å; Q103-M168 HydrophobicContact CG-SD 4.39Å; L163-M168 HydrophobicContact CB-CG 3.71Å; L163-M168 HydrophobicContact CB-SD 4.39Å; L163-M168 HydrophobicContact CD1-CG 4.18Å; S164-M168 PolarHBondContact O-N 2.96Å; E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 WeakPolarHBondContact OE1-CE 3.3Å; E166-M168 PolarHBondContact O-N 3.14Å; M168-E170 PolarHBondContact O-N 3.3Å; M168-M171 PolarHBondContact O-N 3.08Å; M168-I172 WeakPolarHBondContact O-CD1 3.43Å; M168-I172 VanDerWaalsContact O-CG1 3.23Å; M168-I172 WeakPolarHBondContact O-CG1 3.36Å; M168-I172 PolarHBondContact O-N 3.12Å
169	R	95.6	Very high	94.1	Very high	125 Å²	125	66.2 Å²	66.2	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-46.7	177.2	-171.8	-169.9	-51.5	116.8	7.1	111.9	E165 E166 T167 I172 Q173	E165-R169 VanDerWaalsContact O-CB 3.32Å; E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 PolarHBondContact O-N 3.16Å; E166-R169 PolarHBondContact O-N 3.34Å; T167-R169 VanDerWaalsContact C-N 3.33Å; T167-R169 PolarHBondContact O-N 3.3Å; R169-I172 PolarHBondContact O-N 3.42Å; R169-Q173 WeakPolarHBondContact O-CG 3.2Å; R169-Q173 PolarHBondContact O-N 3.18Å
170	E	97.1	Very high	94.4	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-46.3	177	-72.7	-66.3	119.9	0	0	111.2	F131 R132 E166 T167 M168 I172 Q173 H174	F131-E170 HydrophobicContact CE1-CB 3.7Å; F131-E170 HydrophobicContact CZ-CB 3.71Å; R132-E170 IonicContact CZ-OE2 3.04Å; R132-E170 IonicContact NH1-OE2 3.84Å; R132-E170 PolarHBondContact NH1-OE2 3.4Å; E166-E170 WeakPolarHBondContact O-CG 3.36Å; E166-E170 PolarHBondContact O-N 3.46Å; T167-E170 PolarHBondContact O-N 3.32Å; M168-E170 PolarHBondContact O-N 3.3Å; E170-I172 PolarHBondContact O-N 2.88Å; E170-Q173 PolarHBondContact O-N 3.27Å; E170-Q173 VanDerWaalsContact O-N 3.12Å; E170-H174 VanDerWaalsContact O-CB 3.3Å; E170-H174 WeakPolarHBondContact O-CB 3.34Å; E170-H174 PolarHBondContact O-CD2 3.18Å; E170-H174 PolarHBondContact O-N 3.36Å; E170-H174 IonicContact OE2-CD2 2.76Å; E170-H174 PolarHBondContact OE2-CD2 3.33Å; E170-H174 IonicContact OE2-NE2 3.78Å
171	M	96.4	Very high	94.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-33.9	177.3	-69.7	170.7	71.7	0	0	112.8	L102 F131 L136 L163 T167 M168 T178 Y200	L102-M171 HydrophobicContact CD1-CB 4.14Å; L102-M171 HydrophobicContact CD2-CE 3.62Å; L102-M171 HydrophobicContact CD2-SD 4.36Å; F131-M171 HydrophobicContact CB-CG 4.44Å; F131-M171 HydrophobicContact CD1-CG 4.05Å; F131-M171 HydrophobicContact CD2-CG 3.73Å; F131-M171 HydrophobicContact CE1-CG 4.21Å; F131-M171 HydrophobicContact CE2-CB 4.41Å; F131-M171 HydrophobicContact CE2-CG 3.89Å; F131-M171 HydrophobicContact CG-CG 3.81Å; F131-M171 HydrophobicContact CZ-CG 4.14Å; L136-M171 HydrophobicContact CD1-CE 3.7Å; L136-M171 HydrophobicContact CD1-SD 4.13Å; L163-M171 HydrophobicContact CD1-CE 4.37Å; L163-M171 HydrophobicContact CD1-SD 3.95Å; T167-M171 HydrophobicContact CG2-CG 4.36Å; T167-M171 HydrophobicContact CG2-SD 3.81Å; T167-M171 VanDerWaalsContact O-CG 3.26Å; T167-M171 WeakPolarHBondContact O-CG 3.43Å; T167-M171 PolarHBondContact O-N 3.37Å; M168-M171 PolarHBondContact O-N 3.08Å; M171-T178 HydrophobicContact CE-CG2 3.91Å; M171-Y200 HydrophobicContact CB-CD2 4Å; M171-Y200 HydrophobicContact CB-CE2 4.26Å; M171-Y200 HydrophobicContact CE-CD2 4.3Å; M171-Y200 HydrophobicContact CE-CE2 3.52Å
172	I	95.8	Very high	95.4	Very high	51 Å²	51	58.6 Å²	58.6	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-72.5	-39.5	175.4	-66.7	159.6	0	0	0	111.6	P99 L102 M168 R169 E170 H174 C201	P99-I172 HydrophobicContact CB-CD1 3.83Å; P99-I172 HydrophobicContact CB-CG1 4.28Å; P99-I172 HydrophobicContact CG-CD1 4.43Å; P99-I172 HydrophobicContact CG-CG2 4.48Å; L102-I172 HydrophobicContact CD1-CD1 4.2Å; L102-I172 HydrophobicContact CD1-CG1 3.86Å; M168-I172 WeakPolarHBondContact O-CD1 3.43Å; M168-I172 VanDerWaalsContact O-CG1 3.23Å; M168-I172 WeakPolarHBondContact O-CG1 3.36Å; M168-I172 PolarHBondContact O-N 3.12Å; R169-I172 PolarHBondContact O-N 3.42Å; E170-I172 PolarHBondContact O-N 2.88Å; I172-H174 VanDerWaalsContact C-N 3.31Å; I172-C201 PolarHBondContact O-SG 3.12Å
173	Q	96.4	Very high	95.9	Very high	117 Å²	117	51.5 Å²	51.5	55%	0.547	25%	0.249	S	C	.	.	H	α-helix	trans	-76.2	-20.6	-178.7	-70.1	-179.1	21.1	0	0	113.3	R169 E170 P175	R169-Q173 WeakPolarHBondContact O-CG 3.2Å; R169-Q173 PolarHBondContact O-N 3.18Å; E170-Q173 PolarHBondContact O-N 3.27Å; E170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-P175 VanDerWaalsContact C-CD 3.5Å; Q173-P175 VanDerWaalsContact O-CD 3.25Å; Q173-P175 WeakPolarHBondContact O-CD 3.26Å
174	H	96.8	Very high	96.2	Very high	50 Å²	50	50.6 Å²	50.6	23%	0.231	24%	0.243	C	C	.	.	S	Bend	trans	-120.5	72.1	-172.8	-67.4	-69.7	0	0	0	111.6	F131 R132 E170 I172 E177	F131-H174 HydrophobicContact CE2-CB 4.19Å; F131-H174 HydrophobicContact CZ-CB 4.32Å; R132-H174 PolarHBondContact NH2-CD2 3.41Å; R132-H174 PolarHBondContact NH2-CE1 3.02Å; R132-H174 PolarHBondContact NH2-ND1 3.41Å; R132-H174 PolarHBondContact NH2-NE2 3.23Å; E170-H174 VanDerWaalsContact O-CB 3.3Å; E170-H174 WeakPolarHBondContact O-CB 3.34Å; E170-H174 PolarHBondContact O-CD2 3.18Å; E170-H174 PolarHBondContact O-N 3.36Å; E170-H174 IonicContact OE2-CD2 2.76Å; E170-H174 PolarHBondContact OE2-CD2 3.33Å; E170-H174 IonicContact OE2-NE2 3.78Å; I172-H174 VanDerWaalsContact C-N 3.31Å; H174-E177 HydrophobicContact CB-CB 4.18Å; H174-E177 HydrophobicContact CB-CG 4.08Å; H174-E177 WeakPolarHBondContact CB-OE1 3.5Å; H174-E177 IonicContact CG-OE1 3.15Å; H174-E177 IonicContact ND1-OE1 3.5Å; H174-E177 PolarHBondContact ND1-OE1 3.02Å; H174-E177 PolarHBondContact O-N 3.31Å
175	P	96.2	Very high	96.4	Very high	52 Å²	52	47.8 Å²	47.8	34%	0.338	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142.5	-179.7	26.3	-34.6	0	0	0	111.2	Q173 E177	Q173-P175 VanDerWaalsContact C-CD 3.5Å; Q173-P175 VanDerWaalsContact O-CD 3.25Å; Q173-P175 WeakPolarHBondContact O-CD 3.26Å; P175-E177 PolarHBondContact O-N 3.48Å; P175-E177 VanDerWaalsContact O-N 3.15Å
176	Y	96.1	Very high	96.5	Very high	69 Å²	69	41.7 Å²	41.7	27%	0.271	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-0	178.2	-42.2	-58.3	0	0	0	115.6	R94 T178 Q179 D197 Y198	R94-Y176 HydrophobicContact CG-CD1 4Å; R94-Y176 HydrophobicContact CG-CE1 3.43Å; R94-Y176 VanDerWaalsContact CG-CE1 3.43Å; Y176-T178 VanDerWaalsContact C-N 3.29Å; Y176-Q179 WeakPolarHBondContact O-CG 3.49Å; Y176-D197 HydrophobicContact CD1-CB 4.3Å; Y176-D197 WeakPolarHBondContact CD1-OD1 3.34Å; Y176-Y198 WeakPolarHBondContact CA-O 3.33Å; Y176-Y198 PolarHBondContact N-O 2.95Å
177	E	97.6	Very high	96.4	Very high	71 Å²	71	39.6 Å²	39.6	33%	0.332	19%	0.189	S	C	.	.			trans	-82.1	-10.7	168.6	-63	-169.1	-136.3	0	0	112.5	F131 R132 H174 P175	F131-E177 HydrophobicContact CD2-CB 4.31Å; F131-E177 HydrophobicContact CE2-CB 3.95Å; R132-E177 HydrophobicContact CG-CB 4.41Å; R132-E177 VanDerWaalsContact CG-OE2 3.27Å; R132-E177 WeakPolarHBondContact CG-OE2 3.27Å; R132-E177 IonicContact CZ-OE2 3.29Å; R132-E177 PolarHBondContact N-O 2.82Å; R132-E177 IonicContact NE-OE2 3.09Å; R132-E177 PolarHBondContact NE-OE2 3.23Å; R132-E177 IonicContact NH2-OE1 2.79Å; R132-E177 PolarHBondContact NH2-OE1 3.48Å; R132-E177 IonicContact NH2-OE2 2.69Å; R132-E177 PolarHBondContact NH2-OE2 2.65Å; R132-E177 VanDerWaalsContact NH2-OE2 3.17Å; H174-E177 HydrophobicContact CB-CB 4.18Å; H174-E177 HydrophobicContact CB-CG 4.08Å; H174-E177 WeakPolarHBondContact CB-OE1 3.5Å; H174-E177 IonicContact CG-OE1 3.15Å; H174-E177 IonicContact ND1-OE1 3.5Å; H174-E177 PolarHBondContact ND1-OE1 3.02Å; H174-E177 PolarHBondContact O-N 3.31Å; P175-E177 PolarHBondContact O-N 3.48Å; P175-E177 VanDerWaalsContact O-N 3.15Å
178	T	97.8	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.6	161	-54.7	0	0	0	0	108.3	Y130 F131 L136 M171 Y176 D197 Y198 Y200	Y130-T178 CarbonylContact O-C 3.54Å; Y130-T178 VanDerWaalsContact O-CA 3.28Å; Y130-T178 WeakPolarHBondContact O-CA 3.45Å; F131-T178 VanDerWaalsContact CD2-OG1 3.32Å; F131-T178 WeakPolarHBondContact CD2-OG1 3.42Å; L136-T178 HydrophobicContact CD1-CG2 4.1Å; M171-T178 HydrophobicContact CE-CG2 3.91Å; Y176-T178 VanDerWaalsContact C-N 3.29Å; T178-D197 WeakPolarHBondContact O-CA 3.35Å; T178-Y198 HydrophobicContact CG2-CD2 3.86Å; T178-Y198 HydrophobicContact CG2-CG 4.35Å; T178-Y198 WeakPolarHBondContact O-CD2 3.48Å; T178-Y198 PolarHBondContact O-N 3.28Å; T178-Y200 HydrophobicContact CG2-CE2 4.11Å
179	Q	97.9	Very high	96.5	Very high	70 Å²	70	46.2 Å²	46.2	33%	0.327	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.4	-174.1	-58.4	179.1	-71.8	0	0	110.5	I39 H129 Y130 Y176 A196 D197	I39-Q179 HydrophobicContact CD1-CB 3.78Å; I39-Q179 HydrophobicContact CG1-CB 4.02Å; H129-Q179 WeakPolarHBondContact CA-O 3.36Å; Y130-Q179 PolarHBondContact N-O 3.05Å; Y130-Q179 PolarHBondContact O-N 2.74Å; Y176-Q179 WeakPolarHBondContact O-CG 3.49Å; Q179-A196 CarbonylContact C-O 3.6Å; Q179-A196 VanDerWaalsContact CA-O 3.27Å; Q179-A196 WeakPolarHBondContact CA-O 3.23Å; Q179-D197 HydrophobicContact CG-CB 4.22Å
180	S	97.6	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.8	175	66.9	0	0	0	0	113.7	I39 R128 K195 A196 Y198	I39-S180 VanDerWaalsContact CD1-C 3.46Å; R128-S180 CarbonylContact O-C 3.53Å; R128-S180 WeakPolarHBondContact O-CA 3.08Å; R128-S180 VanDerWaalsContact O-CB 3.26Å; R128-S180 WeakPolarHBondContact O-CB 3.24Å; S180-K195 WeakPolarHBondContact O-CA 3.48Å; S180-A196 PolarHBondContact N-O 3.36Å; S180-A196 PolarHBondContact O-N 3.3Å; S180-Y198 WeakPolarHBondContact OG-CE2 3.35Å; S180-Y198 PolarHBondContact OG-OH 3.48Å
181	D	98	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.2	166.5	-71.1	-35.9	0	0	0	109.9	I39 T40 E127 R128 F183 H193 K195	I39-D181 HydrophobicContact CD1-CB 4.31Å; I39-D181 VanDerWaalsContact CD1-CG 3.4Å; I39-D181 WeakPolarHBondContact CD1-OD1 3.34Å; I39-D181 WeakPolarHBondContact CD1-OD2 3.41Å; T40-D181 PolarHBondContact N-OD2 2.67Å; E127-D181 CarbonylContact C-O 3.51Å; E127-D181 VanDerWaalsContact CA-O 3.28Å; E127-D181 WeakPolarHBondContact CA-O 3.5Å; R128-D181 PolarHBondContact N-O 2.69Å; R128-D181 PolarHBondContact O-N 3.01Å; D181-F183 HydrophobicContact CB-CD2 4.21Å; D181-F183 HydrophobicContact CB-CE1 3.99Å; D181-F183 HydrophobicContact CB-CE2 3.4Å; D181-F183 HydrophobicContact CB-CZ 3.27Å; D181-H193 IonicContact OD1-CE1 2.75Å; D181-H193 IonicContact OD1-NE2 3.89Å; D181-H193 PolarHBondContact OD1-NE2 3.33Å; D181-H193 VanDerWaalsContact OD1-NE2 3.12Å; D181-K195 WeakPolarHBondContact OD1-CG 3.26Å; D181-K195 IonicContact OD1-NZ 3.84Å; D181-K195 PolarHBondContact OD1-NZ 3.25Å; D181-K195 IonicContact OD2-NZ 2.6Å
182	S	97.2	Very high	96.4	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107	172.5	-43.7	0	0	0	0	108.8	E127 Y184 H193 N194	E127-S182 PolarHBondContact OE2-OG 3.49Å; S182-Y184 WeakPolarHBondContact O-CD2 3.45Å; S182-Y184 WeakPolarHBondContact O-CE2 3.5Å; S182-H193 WeakPolarHBondContact O-CA 3.24Å; S182-N194 PolarHBondContact N-O 3.15Å; S182-N194 PolarHBondContact O-N 3.3Å
183	F	97.6	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.2	-179.9	-52.8	-77.2	0	0	0	110	V33 L36 T40 L44 M125 I126 R128 D181 F185 L190 H193	V33-F183 HydrophobicContact CB-CD2 3.81Å; V33-F183 HydrophobicContact CB-CE2 3.92Å; V33-F183 HydrophobicContact CB-CG 4.12Å; V33-F183 HydrophobicContact CB-CZ 4.32Å; V33-F183 HydrophobicContact CG1-CB 4.48Å; V33-F183 HydrophobicContact CG1-CD1 3.88Å; V33-F183 HydrophobicContact CG1-CD2 4.08Å; V33-F183 HydrophobicContact CG1-CE1 4.05Å; V33-F183 HydrophobicContact CG1-CE2 4.24Å; V33-F183 HydrophobicContact CG1-CG 3.89Å; V33-F183 HydrophobicContact CG1-CZ 4.22Å; V33-F183 HydrophobicContact CG2-CB 4.34Å; V33-F183 HydrophobicContact CG2-CD2 3.93Å; V33-F183 HydrophobicContact CG2-CE2 4.49Å; V33-F183 HydrophobicContact CG2-CG 4.19Å; L36-F183 HydrophobicContact CD1-CE1 4.41Å; L36-F183 HydrophobicContact CD1-CE2 4.14Å; L36-F183 HydrophobicContact CD1-CZ 3.63Å; T40-F183 HydrophobicContact CG2-CZ 4.38Å; L44-F183 HydrophobicContact CD1-CD1 4.26Å; L44-F183 HydrophobicContact CD1-CE1 3.59Å; L44-F183 HydrophobicContact CD1-CZ 4.36Å; L44-F183 HydrophobicContact CG-CE1 4.31Å; M125-F183 CarbonylContact C-O 3.57Å; M125-F183 VanDerWaalsContact CA-O 3.26Å; M125-F183 WeakPolarHBondContact CA-O 3.28Å; I126-F183 PolarHBondContact N-O 2.81Å; I126-F183 WeakPolarHBondContact O-CD2 3.43Å; I126-F183 PolarHBondContact O-N 3.36Å; R128-F183 HydrophobicContact CG-CE2 4.37Å; D181-F183 HydrophobicContact CB-CD2 4.21Å; D181-F183 HydrophobicContact CB-CE1 3.99Å; D181-F183 HydrophobicContact CB-CE2 3.4Å; D181-F183 HydrophobicContact CB-CZ 3.27Å; F183-F185 HydrophobicContact CB-CD2 4.46Å; F183-F185 HydrophobicContact CB-CE2 3.49Å; F183-F185 VanDerWaalsContact CB-CE2 3.49Å; F183-F185 HydrophobicContact CB-CZ 3.77Å; F183-L190 HydrophobicContact CB-CD1 3.85Å; F183-L190 HydrophobicContact CD1-CD1 4.21Å; F183-H193 AromaticContact CD1-CG 3.99Å; F183-H193 AromaticContact CD1-ND1 3.98Å; F183-H193 AromaticContact CE1-CE1 3.45Å; F183-H193 VanDerWaalsContact CE1-CE1 3.45Å; F183-H193 WeakPolarHBondContact CE1-CE1 3.33Å; F183-H193 AromaticContact CE1-ND1 3.68Å; F183-H193 AromaticContact CE1-NE2 3.68Å
184	Y	96.6	Very high	96.4	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.075	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.4	-178.7	-60.7	-94.9	0	0	0	110.5	F56 F123 R124 M125 S182 V191 M192 N194	F56-Y184 HydrophobicContact CE1-CE1 4.24Å; F56-Y184 HydrophobicContact CE2-CD1 4.25Å; F56-Y184 AromaticContact CE2-CE1 3.74Å; F56-Y184 HydrophobicContact CE2-CE1 3.74Å; F56-Y184 HydrophobicContact CE2-CE2 4.32Å; F56-Y184 AromaticContact CE2-CZ 3.78Å; F56-Y184 AromaticContact CZ-CD1 3.83Å; F56-Y184 HydrophobicContact CZ-CD1 3.83Å; F56-Y184 AromaticContact CZ-CE1 3.28Å; F56-Y184 HydrophobicContact CZ-CE1 3.28Å; F56-Y184 AromaticContact CZ-CZ 3.76Å; F123-Y184 HydrophobicContact CE2-CD1 4.06Å; F123-Y184 HydrophobicContact CE2-CG 4.49Å; F123-Y184 AromaticContact CZ-CD1 3.72Å; F123-Y184 HydrophobicContact CZ-CD1 3.72Å; F123-Y184 HydrophobicContact CZ-CG 4.48Å; R124-Y184 CarbonylContact O-C 3.59Å; R124-Y184 WeakPolarHBondContact O-CA 3.38Å; M125-Y184 HydrophobicContact CB-CD1 3.9Å; M125-Y184 HydrophobicContact CB-CE1 3.98Å; M125-Y184 HydrophobicContact CG-CD1 3.97Å; M125-Y184 HydrophobicContact CG-CE1 3.7Å; M125-Y184 HydrophobicContact SD-CD1 4.24Å; M125-Y184 HydrophobicContact SD-CE1 3.38Å; M125-Y184 WeakPolarHBondContact SD-CE1 3.47Å; M125-Y184 VanDerWaalsContact SD-CZ 3.56Å; M125-Y184 PolarHBondContact SD-OH 2.94Å; S182-Y184 WeakPolarHBondContact O-CD2 3.45Å; S182-Y184 WeakPolarHBondContact O-CE2 3.5Å; Y184-V191 WeakPolarHBondContact O-CG2 3.34Å; Y184-V191 PolarHBondContact O-N 3.35Å; Y184-M192 HydrophobicContact CD2-CB 3.86Å; Y184-M192 HydrophobicContact CG-CB 4.2Å; Y184-M192 PolarHBondContact N-O 2.94Å; Y184-M192 PolarHBondContact O-N 3.47Å; Y184-N194 HydrophobicContact CE2-CB 4.25Å
185	F	96.9	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.2	-175.4	-58.5	-91.3	0	0	0	111	T29 P30 V33 F123 R124 I126 F183 K189 L190	T29-F185 WeakPolarHBondContact O-CE1 3.47Å; P30-F185 HydrophobicContact CG-CB 4.37Å; P30-F185 HydrophobicContact CG-CD1 3.88Å; P30-F185 HydrophobicContact CG-CD2 4.25Å; P30-F185 HydrophobicContact CG-CE1 4.25Å; P30-F185 HydrophobicContact CG-CG 3.9Å; V33-F185 HydrophobicContact CB-CZ 4.42Å; V33-F185 HydrophobicContact CG1-CZ 3.98Å; V33-F185 HydrophobicContact CG2-CE2 3.89Å; V33-F185 HydrophobicContact CG2-CZ 3.54Å; F123-F185 WeakPolarHBondContact CA-O 3.28Å; F123-F185 WeakPolarHBondContact CD2-O 3.1Å; R124-F185 HydrophobicContact CB-CB 4.48Å; R124-F185 PolarHBondContact N-O 3.19Å; R124-F185 PolarHBondContact O-N 2.92Å; I126-F185 HydrophobicContact CB-CE2 4.28Å; I126-F185 HydrophobicContact CD1-CD2 4.49Å; I126-F185 HydrophobicContact CD1-CE2 3.94Å; I126-F185 HydrophobicContact CG1-CE2 4.29Å; F183-F185 HydrophobicContact CB-CD2 4.46Å; F183-F185 HydrophobicContact CB-CE2 3.49Å; F183-F185 VanDerWaalsContact CB-CE2 3.49Å; F183-F185 HydrophobicContact CB-CZ 3.77Å; F185-K189 CarbonylContact C-O 3.59Å; F185-K189 VanDerWaalsContact CA-O 3.23Å; F185-K189 WeakPolarHBondContact CA-O 3.29Å; F185-L190 HydrophobicContact CD1-CB 4.16Å; F185-L190 HydrophobicContact CD1-CD1 4.48Å; F185-L190 HydrophobicContact CE1-CB 3.87Å; F185-L190 HydrophobicContact CE1-CD1 3.99Å; F185-L190 HydrophobicContact CE2-CD1 4.48Å; F185-L190 HydrophobicContact CZ-CD1 3.98Å
186	V	95.6	Very high	96.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.3	165.7	172.4	0	0	0	0	107.5	H52 I54 I120 F123 N188 K189 V191	H52-V186 WeakPolarHBondContact NE2-CG1 3.28Å; I54-V186 HydrophobicContact CD1-CG2 4.15Å; I120-V186 HydrophobicContact CG2-CB 4.18Å; I120-V186 HydrophobicContact CG2-CG1 3.67Å; I120-V186 HydrophobicContact CG2-CG2 3.51Å; F123-V186 HydrophobicContact CD2-CG2 3.8Å; F123-V186 HydrophobicContact CE2-CG2 4.38Å; V186-N188 PolarHBondContact O-N 3.44Å; V186-N188 VanDerWaalsContact O-N 3.15Å; V186-K189 PolarHBondContact N-O 3.02Å; V186-K189 PolarHBondContact O-N 3.49Å; V186-V191 HydrophobicContact CB-CG1 4.14Å; V186-V191 HydrophobicContact CB-CG2 4.43Å; V186-V191 HydrophobicContact CG2-CG1 4.34Å; V186-V191 HydrophobicContact CG2-CG2 3.83Å
187	D	93.6	Very high	96.4	Very high	87 Å²	87	25.8 Å²	25.8	47%	0.465	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	44	-175.8	-66.4	-40.4	0	0	0	112.6	N121 K189	N121-D187 WeakPolarHBondContact CB-OD1 3.43Å; D187-K189 VanDerWaalsContact C-N 3.25Å; D187-K189 PolarHBondContact O-N 2.7Å
188	N	94	Very high	96.3	Very high	68 Å²	68	23.1 Å²	23.1	36%	0.364	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	22.3	-178.6	-58.1	-27.2	0	0	0	115.6	P30 N122 V186	P30-N188 WeakPolarHBondContact CD-O 3.25Å; P30-N188 HydrophobicContact CG-CB 4.2Å; N122-N188 PolarHBondContact ND2-OD1 2.79Å; N122-N188 VanDerWaalsContact ND2-OD1 3.16Å; V186-N188 PolarHBondContact O-N 3.44Å; V186-N188 VanDerWaalsContact O-N 3.15Å
189	K	95.6	Very high	96.2	Very high	120 Å²	120	23.5 Å²	23.5	52%	0.522	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.6	173.2	-58.3	-177	-176.6	173.9	0	110.2	V27 F185 V186 D187 V191	V27-K189 HydrophobicContact CG1-CB 4.24Å; V27-K189 HydrophobicContact CG1-CD 4.28Å; V27-K189 HydrophobicContact CG1-CG 3.79Å; F185-K189 CarbonylContact C-O 3.59Å; F185-K189 VanDerWaalsContact CA-O 3.23Å; F185-K189 WeakPolarHBondContact CA-O 3.29Å; V186-K189 PolarHBondContact N-O 3.02Å; V186-K189 PolarHBondContact O-N 3.49Å; D187-K189 VanDerWaalsContact C-N 3.25Å; D187-K189 PolarHBondContact O-N 2.7Å; K189-V191 PolarHBondContact O-N 3.22Å
190	L	96.8	Very high	96.1	Very high	11 Å²	11	20.7 Å²	20.7	6%	0.058	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	126.2	175.9	-174.6	69.2	0	0	0	110.1	I28 L44 C45 F183 F185 M192	I28-L190 HydrophobicContact CB-CB 4.01Å; I28-L190 HydrophobicContact CB-CD2 4.11Å; I28-L190 HydrophobicContact CD1-CD2 4.02Å; I28-L190 HydrophobicContact CG2-CB 4.39Å; I28-L190 HydrophobicContact CG2-CD2 4.2Å; I28-L190 PolarHBondContact O-N 2.95Å; L44-L190 HydrophobicContact CB-CD2 3.62Å; C45-L190 HydrophobicContact CB-CD2 3.81Å; C45-L190 HydrophobicContact CB-CG 4.05Å; F183-L190 HydrophobicContact CB-CD1 3.85Å; F183-L190 HydrophobicContact CD1-CD1 4.21Å; F185-L190 HydrophobicContact CD1-CB 4.16Å; F185-L190 HydrophobicContact CD1-CD1 4.48Å; F185-L190 HydrophobicContact CE1-CB 3.87Å; F185-L190 HydrophobicContact CE1-CD1 3.99Å; F185-L190 HydrophobicContact CE2-CD1 4.48Å; F185-L190 HydrophobicContact CZ-CD1 3.98Å; L190-M192 WeakPolarHBondContact CD1-O 3.46Å
191	V	95.4	Very high	95.7	Very high	10 Å²	10	23.7 Å²	23.7	6%	0.061	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-23.5	178.5	-64.8	0	0	0	0	113	N50 I54 Y184 V186 K189	N50-V191 PolarHBondContact N-O 2.86Å; I54-V191 HydrophobicContact CD1-CG2 4.19Å; Y184-V191 WeakPolarHBondContact O-CG2 3.34Å; Y184-V191 PolarHBondContact O-N 3.35Å; V186-V191 HydrophobicContact CB-CG1 4.14Å; V186-V191 HydrophobicContact CB-CG2 4.43Å; V186-V191 HydrophobicContact CG2-CG1 4.34Å; V186-V191 HydrophobicContact CG2-CG2 3.83Å; K189-V191 PolarHBondContact O-N 3.22Å
192	M	95.3	Very high	94.5	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.059	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.4	174.6	-56.5	171.8	62.6	0	0	110.5	C45 N50 I54 F56 Y184 L190	C45-M192 VanDerWaalsContact SG-C 3.53Å; C45-M192 VanDerWaalsContact SG-CA 3.57Å; N50-M192 HydrophobicContact CB-CG 4.02Å; I54-M192 HydrophobicContact CB-SD 3.69Å; I54-M192 HydrophobicContact CD1-SD 4.38Å; I54-M192 HydrophobicContact CG2-SD 3.85Å; F56-M192 HydrophobicContact CD2-CE 3.97Å; F56-M192 HydrophobicContact CE2-CE 3.74Å; F56-M192 HydrophobicContact CE2-SD 4.2Å; Y184-M192 HydrophobicContact CD2-CB 3.86Å; Y184-M192 HydrophobicContact CG-CB 4.2Å; Y184-M192 PolarHBondContact N-O 2.94Å; Y184-M192 PolarHBondContact O-N 3.47Å; L190-M192 WeakPolarHBondContact CD1-O 3.46Å
193	H	96.5	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	115	174.3	178.1	174.8	0	0	0	107.4	T40 Y43 L44 C45 D181 S182 F183	T40-H193 PolarHBondContact OG1-CE1 3.22Å; T40-H193 VanDerWaalsContact OG1-CE1 3.23Å; Y43-H193 HydrophobicContact CD1-CB 4.28Å; Y43-H193 AromaticContact CD1-CG 3.99Å; Y43-H193 WeakPolarHBondContact CD1-O 3.4Å; Y43-H193 WeakPolarHBondContact CE1-O 3.42Å; L44-H193 PolarHBondContact N-ND1 3.19Å; C45-H193 PolarHBondContact SG-N 2.92Å; D181-H193 IonicContact OD1-CE1 2.75Å; D181-H193 IonicContact OD1-NE2 3.89Å; D181-H193 PolarHBondContact OD1-NE2 3.33Å; D181-H193 VanDerWaalsContact OD1-NE2 3.12Å; S182-H193 WeakPolarHBondContact O-CA 3.24Å; F183-H193 AromaticContact CD1-CG 3.99Å; F183-H193 AromaticContact CD1-ND1 3.98Å; F183-H193 AromaticContact CE1-CE1 3.45Å; F183-H193 VanDerWaalsContact CE1-CE1 3.45Å; F183-H193 WeakPolarHBondContact CE1-CE1 3.33Å; F183-H193 AromaticContact CE1-ND1 3.68Å; F183-H193 AromaticContact CE1-NE2 3.68Å
194	N	95.2	Very high	90.5	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.2	174.2	-63.7	-14	0	0	0	110.3	R91 S182 Y184	R91-N194 CarbonylContact O-C 3.52Å; R91-N194 VanDerWaalsContact O-CA 3.3Å; R91-N194 WeakPolarHBondContact O-CA 3.47Å; S182-N194 PolarHBondContact N-O 3.15Å; S182-N194 PolarHBondContact O-N 3.3Å; Y184-N194 HydrophobicContact CE2-CB 4.25Å
195	K	96.3	Very high	90.2	Very high	21 Å²	21	36.7 Å²	36.7	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.6	-178.3	-73.4	-179.7	174.6	-69.2	0	110.6	T40 Y43 R91 F92 V93 S180 D181	T40-K195 PolarHBondContact O-NZ 3.43Å; T40-K195 WeakPolarHBondContact OG1-CE 3.37Å; T40-K195 PolarHBondContact OG1-NZ 2.76Å; Y43-K195 HydrophobicContact CD1-CD 4.17Å; Y43-K195 HydrophobicContact CD1-CG 4.32Å; Y43-K195 HydrophobicContact CE1-CB 4.22Å; Y43-K195 HydrophobicContact CE1-CD 3.74Å; Y43-K195 HydrophobicContact CE1-CG 3.74Å; R91-K195 PolarHBondContact O-N 2.85Å; F92-K195 VanDerWaalsContact CA-O 3.27Å; F92-K195 WeakPolarHBondContact CA-O 3.21Å; F92-K195 HydrophobicContact CD2-CB 3.73Å; F92-K195 HydrophobicContact CE2-CB 4.25Å; V93-K195 PolarHBondContact N-O 2.83Å; S180-K195 WeakPolarHBondContact O-CA 3.48Å; D181-K195 WeakPolarHBondContact OD1-CG 3.26Å; D181-K195 IonicContact OD1-NZ 3.84Å; D181-K195 PolarHBondContact OD1-NZ 3.25Å; D181-K195 IonicContact OD2-NZ 2.6Å
196	A	95.9	Very high	89.8	Confident	6 Å²	6	38.6 Å²	38.6	5%	0.05	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.5	170.8	0	0	0	0	0	112.6	V93 Y95 Q179 S180 Y198	V93-A196 HydrophobicContact CB-CB 4.48Å; V93-A196 WeakPolarHBondContact O-CA 3.39Å; V93-A196 WeakPolarHBondContact O-CB 3.12Å; Y95-A196 HydrophobicContact CD2-CB 3.93Å; Y95-A196 HydrophobicContact CE2-CB 3.69Å; Q179-A196 CarbonylContact C-O 3.6Å; Q179-A196 VanDerWaalsContact CA-O 3.27Å; Q179-A196 WeakPolarHBondContact CA-O 3.23Å; S180-A196 PolarHBondContact N-O 3.36Å; S180-A196 PolarHBondContact O-N 3.3Å; A196-Y198 HydrophobicContact CB-CE2 4.16Å
197	D	96.9	Very high	89.5	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.032	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.7	166.3	67.4	12.7	0	0	0	111.4	F92 V93 R94 Y95 Y176 T178 Q179	F92-D197 HydrophobicContact CZ-CB 4.06Å; F92-D197 VanDerWaalsContact CZ-CG 3.49Å; F92-D197 WeakPolarHBondContact CZ-OD2 3.36Å; V93-D197 PolarHBondContact O-N 3.04Å; V93-D197 VanDerWaalsContact O-N 3.16Å; R94-D197 VanDerWaalsContact CA-OD1 3.31Å; R94-D197 WeakPolarHBondContact CA-OD1 3.49Å; R94-D197 VanDerWaalsContact CB-OD1 3.27Å; R94-D197 WeakPolarHBondContact CB-OD1 3.21Å; R94-D197 WeakPolarHBondContact CG-OD1 3.26Å; R94-D197 IonicContact CZ-OD1 3.84Å; R94-D197 IonicContact CZ-OD2 2.81Å; R94-D197 VanDerWaalsContact CZ-OD2 3.29Å; R94-D197 IonicContact NE-OD1 3.37Å; R94-D197 PolarHBondContact NE-OD1 2.7Å; R94-D197 IonicContact NE-OD2 2.75Å; R94-D197 PolarHBondContact NE-OD2 3.39Å; R94-D197 VanDerWaalsContact NE-OD2 3.09Å; R94-D197 IonicContact NH2-OD1 2.8Å; R94-D197 IonicContact NH2-OD2 2.69Å; R94-D197 PolarHBondContact NH2-OD2 2.94Å; Y95-D197 PolarHBondContact N-O 2.94Å; Y176-D197 HydrophobicContact CD1-CB 4.3Å; Y176-D197 WeakPolarHBondContact CD1-OD1 3.34Å; T178-D197 WeakPolarHBondContact O-CA 3.35Å; Q179-D197 HydrophobicContact CG-CB 4.22Å
198	Y	96.3	Very high	89.2	Confident	15 Å²	15	37.8 Å²	37.8	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	-168.4	-52.9	-95	0	0	0	111.3	Y95 F97 H129 Y176 T178 S180 A196 Y200	Y95-Y198 AromaticContact CD2-CD1 3.75Å; Y95-Y198 HydrophobicContact CD2-CD1 3.75Å; Y95-Y198 AromaticContact CD2-CE1 3.36Å; Y95-Y198 HydrophobicContact CD2-CE1 3.36Å; Y95-Y198 AromaticContact CE2-CE1 3.94Å; Y95-Y198 HydrophobicContact CE2-CE1 3.94Å; Y95-Y198 HydrophobicContact CG-CD1 4.03Å; Y95-Y198 AromaticContact CG-CE1 3.98Å; Y95-Y198 HydrophobicContact CG-CE1 3.98Å; F97-Y198 HydrophobicContact CD2-CD1 4.25Å; F97-Y198 AromaticContact CE2-CD1 3.92Å; F97-Y198 HydrophobicContact CE2-CD1 3.92Å; F97-Y198 HydrophobicContact CE2-CE1 4.31Å; H129-Y198 AromaticContact CE1-CZ 3.58Å; H129-Y198 PolarHBondContact CE1-OH 3.32Å; H129-Y198 AromaticContact ND1-CE2 3.86Å; H129-Y198 AromaticContact ND1-CZ 3.86Å; Y176-Y198 WeakPolarHBondContact CA-O 3.33Å; Y176-Y198 PolarHBondContact N-O 2.95Å; T178-Y198 HydrophobicContact CG2-CD2 3.86Å; T178-Y198 HydrophobicContact CG2-CG 4.35Å; T178-Y198 WeakPolarHBondContact O-CD2 3.48Å; T178-Y198 PolarHBondContact O-N 3.28Å; S180-Y198 WeakPolarHBondContact OG-CE2 3.35Å; S180-Y198 PolarHBondContact OG-OH 3.48Å; A196-Y198 HydrophobicContact CB-CE2 4.16Å; Y198-Y200 WeakPolarHBondContact CB-OH 3.37Å
199	S	96.2	Very high	88.9	Confident	7 Å²	7	35.9 Å²	35.9	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.8	163.3	174	0	0	0	0	109.8	Y95 F97 C201	Y95-S199 PolarHBondContact O-N 3.03Å; F97-S199 PolarHBondContact N-O 2.94Å; S199-C201 PolarHBondContact OG-N 3.18Å; S199-C201 PolarHBondContact OG-SG 3.37Å
200	Y	94.8	Very high	88.5	Confident	11 Å²	11	30.3 Å²	30.3	4%	0.043	21%	0.205	C	C	.	.			trans	-116.8	15.2	175	-52.9	-77	0	0	0	112.4	F97 P99 F101 L102 M171 T178 Y198 G202	F97-Y200 HydrophobicContact CB-CD1 4Å; F97-Y200 HydrophobicContact CB-CE1 4.4Å; F97-Y200 HydrophobicContact CD2-CE1 4.16Å; F97-Y200 CarbonylContact O-C 3.57Å; F97-Y200 VanDerWaalsContact O-C 3.29Å; F97-Y200 VanDerWaalsContact O-CA 3.27Å; F97-Y200 WeakPolarHBondContact O-CA 3.41Å; P99-Y200 WeakPolarHBondContact CD-O 3.49Å; P99-Y200 VanDerWaalsContact CG-O 3.22Å; P99-Y200 WeakPolarHBondContact CG-O 3.24Å; P99-Y200 VanDerWaalsContact N-O 3.16Å; F101-Y200 HydrophobicContact CD1-CD1 4.42Å; F101-Y200 AromaticContact CD1-CE1 3.91Å; F101-Y200 HydrophobicContact CD1-CE1 3.91Å; F101-Y200 HydrophobicContact CE1-CE1 4.49Å; L102-Y200 HydrophobicContact CD1-CD1 4.31Å; L102-Y200 HydrophobicContact CD1-CD2 4.21Å; L102-Y200 HydrophobicContact CD1-CG 3.93Å; L102-Y200 HydrophobicContact CD2-CD1 3.71Å; L102-Y200 HydrophobicContact CD2-CD2 4.16Å; L102-Y200 HydrophobicContact CD2-CE1 3.55Å; L102-Y200 HydrophobicContact CD2-CE2 4.02Å; L102-Y200 HydrophobicContact CD2-CG 4Å; L102-Y200 HydrophobicContact CG-CD1 3.82Å; L102-Y200 HydrophobicContact CG-CD2 4.48Å; L102-Y200 HydrophobicContact CG-CE1 4.19Å; L102-Y200 HydrophobicContact CG-CG 3.97Å; M171-Y200 HydrophobicContact CB-CD2 4Å; M171-Y200 HydrophobicContact CB-CE2 4.26Å; M171-Y200 HydrophobicContact CE-CD2 4.3Å; M171-Y200 HydrophobicContact CE-CE2 3.52Å; T178-Y200 HydrophobicContact CG2-CE2 4.11Å; Y198-Y200 WeakPolarHBondContact CB-OH 3.37Å; Y200-G202 PolarHBondContact O-N 3.23Å
201	C	88.6	Confident	87.9	Confident	64 Å²	64	31.7 Å²	31.7	43%	0.432	22%	0.215	S	C	.	.	S	Bend	trans	-73	-10	-174.9	-51.6	0	0	0	0	113.3	I172 S199	I172-C201 PolarHBondContact O-SG 3.12Å; S199-C201 PolarHBondContact OG-N 3.18Å; S199-C201 PolarHBondContact OG-SG 3.37Å
202	G	74.3	Confident	87.3	Confident	25 Å²	25	33.4 Å²	33.4	26%	0.258	23%	0.227	S	C	.	.			trans	93	149.1	-160.1	0	0	0	0	0	110.8	F97 Y200	F97-G202 PolarHBondContact O-N 3.02Å; F97-G202 VanDerWaalsContact O-N 3.09Å; Y200-G202 PolarHBondContact O-N 3.23Å
203	G	63.8	Low	86.7	Confident	46 Å²	46	35.2 Å²	35.2	47%	0.474	24%	0.241	S	C	.	.			trans	-65.5	169.2	168	0	0	0	0	0	111.1
204	P	45.3	Very low	85.8	Confident	194 Å²	194	38.4 Å²	38.4	100%	1.26	26%	0.263	S	S	*	.			trans	-56	0	170	25.9	-33.7	0	0	0	112.9

Retrieved 204 of 204 residues in 61.8 ms (Link to these results)

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