A0A076G425_HUMAN Loading...

L-Fucosyltransferase

Catalyzes the transfer of L-fucose, from a guanosine diphosphate-beta-L-fucose, to the terminal galactose residue of glycoconjugates through an alpha(1,2) linkage leading to H antigen synthesis that is an intermediate substrate in the synthesis of ABO blood group antigens. H antigen is essential for maturation of the glomerular layer of the main olfactory bulb, in cell migration and early cell-cell contacts during tumor associated angiogenesis. Preferentially fucosylates soluble lactose and to a lesser extent fucosylates glycolipids gangliosides GA1 and GM1a.

AlphaFold DB , UniProt , Accession A0A076G425, Species HUMAN (Homo sapiens, Human), Gene FUT1, Length 200 aa.

Structure Viewer

Loading PAE data...

(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	G	45.6	Very low	80.9	Confident	99 Å²	99	68.5 Å²	68.5	100%	1.021	39%	0.389	S	S	*	.				0	143.7	0	0	0	0	0	0	108.4
2	F	56.8	Low	82.2	Confident	47 Å²	47	68.3 Å²	68.3	21%	0.206	39%	0.385	C	S	.	.			trans	-49.3	144.4	162	-164.8	-100.5	0	0	0	109	C4 S5 T144 F170 F174	F2-C4 PolarHBondContact O-N 2.72Å; F2-S5 PolarHBondContact O-N 3.06Å; F2-T144 HydrophobicContact CE1-CG2 3.8Å; F2-T144 HydrophobicContact CZ-CG2 4.22Å; F2-F170 HydrophobicContact CD2-CE2 4.48Å; F2-F170 HydrophobicContact CD2-CZ 4.42Å; F2-F170 HydrophobicContact CE2-CE2 4.05Å; F2-F170 HydrophobicContact CE2-CZ 4Å; F2-F170 HydrophobicContact CZ-CZ 4.46Å; F2-F174 HydrophobicContact CB-CD2 4.12Å; F2-F174 AromaticContact CD1-CD2 3.88Å; F2-F174 HydrophobicContact CD1-CD2 3.88Å; F2-F174 HydrophobicContact CD1-CE2 4.05Å; F2-F174 HydrophobicContact CD2-CD2 4.16Å; F2-F174 HydrophobicContact CE1-CD2 4.33Å; F2-F174 HydrophobicContact CE1-CE2 4.34Å; F2-F174 AromaticContact CG-CD2 3.79Å; F2-F174 HydrophobicContact CG-CD2 3.79Å; F2-F174 HydrophobicContact CG-CE2 4.42Å
3	P	64	Low	83.1	Confident	93 Å²	93	66.9 Å²	66.9	60%	0.604	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	1.1	-165.6	22.6	-36.7	0	0	0	116.9	T144	P3-T144 HydrophobicContact CG-CG2 3.64Å
4	C	73.3	Confident	83.9	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.02	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	23.6	-177.7	-63.2	0	0	0	0	113.4	F2 W6 T144 F147	F2-C4 PolarHBondContact O-N 2.72Å; C4-W6 PolarHBondContact O-N 3.25Å; C4-T144 VanDerWaalsContact SG-CB 3.55Å; C4-T144 WeakPolarHBondContact SG-CG2 3.18Å; C4-F147 HydrophobicContact CB-CB 4.49Å; C4-F147 HydrophobicContact CB-CD1 3.57Å; C4-F147 HydrophobicContact CB-CD2 4.2Å; C4-F147 HydrophobicContact CB-CE1 3.8Å; C4-F147 HydrophobicContact CB-CE2 4.39Å; C4-F147 HydrophobicContact CB-CG 3.81Å; C4-F147 HydrophobicContact CB-CZ 4.2Å
5	S	90.2	Very high	84.7	Confident	14 Å²	14	74.3 Å²	74.3	10%	0.098	40%	0.397	C	S	.	.			trans	-68.4	97.9	178.9	-178.4	0	0	0	0	110.8	F2 T7 F8 F9 A178	F2-S5 PolarHBondContact O-N 3.06Å; S5-T7 PolarHBondContact O-N 2.98Å; S5-T7 VanDerWaalsContact O-N 3.1Å; S5-T7 PolarHBondContact OG-OG1 3.22Å; S5-F8 PolarHBondContact O-N 3.4Å; S5-F8 WeakPolarHBondContact OG-CD2 3.39Å; S5-F8 WeakPolarHBondContact OG-CE2 3.4Å; S5-F9 VanDerWaalsContact O-CE1 3.32Å; S5-F9 WeakPolarHBondContact O-CE1 3.37Å; S5-A178 CarbonylContact C-O 3.59Å; S5-A178 WeakPolarHBondContact CA-O 3.43Å
6	W	92.1	Very high	85.4	Confident	49 Å²	49	70.9 Å²	70.9	19%	0.186	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.5	-171.6	65.9	-100.7	0	0	0	112.9	C4 F8 F9 H10 F147 E177 A178 F180 L181 P182	C4-W6 PolarHBondContact O-N 3.25Å; W6-F8 PolarHBondContact O-N 3.45Å; W6-F9 HydrophobicContact CB-CE2 4.32Å; W6-F9 HydrophobicContact CB-CZ 4.16Å; W6-F9 PolarHBondContact O-N 2.81Å; W6-H10 HydrophobicContact CB-CB 4.49Å; W6-H10 HydrophobicContact CE3-CB 3.55Å; W6-H10 AromaticContact CE3-CG 3.86Å; W6-H10 HydrophobicContact CZ3-CB 4.21Å; W6-H10 VanDerWaalsContact O-CB 3.23Å; W6-H10 WeakPolarHBondContact O-CB 3.39Å; W6-H10 PolarHBondContact O-N 3.36Å; W6-F147 HydrophobicContact CB-CZ 4.36Å; W6-E177 PolarHBondContact NE1-O 3.11Å; W6-A178 PolarHBondContact N-O 3.02Å; W6-F180 VanDerWaalsContact CD1-O 3.31Å; W6-F180 PolarHBondContact NE1-O 3.28Å; W6-L181 HydrophobicContact CB-CD2 3.82Å; W6-L181 HydrophobicContact CD2-CD2 3.7Å; W6-L181 HydrophobicContact CE3-CD2 4.09Å; W6-L181 HydrophobicContact CG-CD2 3.58Å; W6-P182 HydrophobicContact CH2-CG 4.08Å; W6-P182 HydrophobicContact CZ2-CG 3.66Å
7	T	92.7	Very high	85.7	Confident	73 Å²	73	71.9 Å²	71.9	45%	0.448	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-53.7	-25.7	178.8	56.3	0	0	0	0	113.7	S5 A178	S5-T7 PolarHBondContact O-N 2.98Å; S5-T7 VanDerWaalsContact O-N 3.1Å; S5-T7 PolarHBondContact OG-OG1 3.22Å; T7-A178 HydrophobicContact CG2-CB 4.32Å
8	F	92.1	Very high	86.1	Confident	150 Å²	150	76.9 Å²	76.9	66%	0.658	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-80.2	-25.1	177.8	-70.9	-80	0	0	0	114.3	S5 W6 H11	S5-F8 PolarHBondContact O-N 3.4Å; S5-F8 WeakPolarHBondContact OG-CD2 3.39Å; S5-F8 WeakPolarHBondContact OG-CE2 3.4Å; W6-F8 PolarHBondContact O-N 3.45Å; F8-H11 PolarHBondContact O-CE1 3.48Å
9	F	92.9	Very high	86.6	Confident	30 Å²	30	79.3 Å²	79.3	13%	0.132	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-6.8	-167	60.2	-103.2	0	0	0	114.6	S5 W6 H11 L12 I16 F147 W148 Y151	S5-F9 VanDerWaalsContact O-CE1 3.32Å; S5-F9 WeakPolarHBondContact O-CE1 3.37Å; W6-F9 HydrophobicContact CB-CE2 4.32Å; W6-F9 HydrophobicContact CB-CZ 4.16Å; W6-F9 PolarHBondContact O-N 2.81Å; F9-H11 PolarHBondContact O-N 2.91Å; F9-L12 WeakPolarHBondContact O-CA 3.35Å; F9-L12 WeakPolarHBondContact O-CB 3.4Å; F9-L12 PolarHBondContact O-N 2.96Å; F9-I16 HydrophobicContact CB-CD1 4.06Å; F9-I16 HydrophobicContact CD2-CD1 3.72Å; F9-I16 HydrophobicContact CG-CD1 4.25Å; F9-F147 AromaticContact CZ-CE1 3.86Å; F9-F147 HydrophobicContact CZ-CE1 3.86Å; F9-F147 AromaticContact CZ-CZ 3.97Å; F9-F147 HydrophobicContact CZ-CZ 3.97Å; F9-W148 HydrophobicContact CD2-CH2 4.33Å; F9-W148 HydrophobicContact CE1-CH2 4.32Å; F9-W148 HydrophobicContact CE1-CZ2 4.34Å; F9-W148 AromaticContact CE2-CH2 3.9Å; F9-W148 HydrophobicContact CE2-CH2 3.9Å; F9-W148 HydrophobicContact CE2-CZ3 4.31Å; F9-W148 AromaticContact CZ-CH2 3.88Å; F9-W148 HydrophobicContact CZ-CH2 3.88Å; F9-W148 HydrophobicContact CZ-CZ2 4.11Å; F9-Y151 HydrophobicContact CD2-CE1 4.35Å; F9-Y151 HydrophobicContact CE2-CD1 4.48Å; F9-Y151 HydrophobicContact CE2-CD2 4.46Å; F9-Y151 AromaticContact CE2-CE1 3.96Å; F9-Y151 HydrophobicContact CE2-CE1 3.96Å; F9-Y151 AromaticContact CE2-CE2 3.93Å; F9-Y151 HydrophobicContact CE2-CE2 3.93Å; F9-Y151 AromaticContact CE2-CZ 3.66Å
10	H	95	Very high	86.8	Confident	49 Å²	49	82.2 Å²	82.2	23%	0.227	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-65.1	-26.8	-173.4	-169.2	69.2	0	0	0	114	W6 L12 R13 Y151 L181	W6-H10 HydrophobicContact CB-CB 4.49Å; W6-H10 HydrophobicContact CE3-CB 3.55Å; W6-H10 AromaticContact CE3-CG 3.86Å; W6-H10 HydrophobicContact CZ3-CB 4.21Å; W6-H10 VanDerWaalsContact O-CB 3.23Å; W6-H10 WeakPolarHBondContact O-CB 3.39Å; W6-H10 PolarHBondContact O-N 3.36Å; H10-L12 PolarHBondContact O-N 2.91Å; H10-L12 VanDerWaalsContact O-N 3.12Å; H10-R13 VanDerWaalsContact O-CB 3.26Å; H10-R13 WeakPolarHBondContact O-CB 3.12Å; H10-R13 PolarHBondContact O-N 3.11Å; H10-Y151 WeakPolarHBondContact CA-OH 3.37Å; H10-Y151 AromaticContact ND1-CE2 3.51Å; H10-Y151 AromaticContact ND1-CZ 3.66Å; H10-Y151 PolarHBondContact ND1-OH 3.39Å; H10-L181 VanDerWaalsContact CE1-CD2 3.48Å; H10-L181 WeakPolarHBondContact CE1-CD2 3.49Å
11	H	95.6	Very high	87	Confident	147 Å²	147	82.7 Å²	82.7	68%	0.681	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.7	170.9	66.4	-82.6	0	0	0	113.4	F8 F9	F8-H11 PolarHBondContact O-CE1 3.48Å; F9-H11 PolarHBondContact O-N 2.91Å
12	L	95.8	Very high	89.1	Confident	65 Å²	65	79.5 Å²	79.5	34%	0.34	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-103.2	13.4	175.3	-51.9	177.5	0	0	0	112.7	F9 H10 E14 Q15 I16	F9-L12 WeakPolarHBondContact O-CA 3.35Å; F9-L12 WeakPolarHBondContact O-CB 3.4Å; F9-L12 PolarHBondContact O-N 2.96Å; H10-L12 PolarHBondContact O-N 2.91Å; H10-L12 VanDerWaalsContact O-N 3.12Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.08Å; L12-Q15 WeakPolarHBondContact O-CB 3.31Å; L12-Q15 PolarHBondContact O-N 2.75Å; L12-I16 HydrophobicContact CB-CD1 4.21Å; L12-I16 HydrophobicContact CB-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 2.86Å
13	R	94.1	Very high	90.8	Very high	51 Å²	51	83.8 Å²	83.8	19%	0.192	40%	0.396	C	S	.	.	H	α-helix	trans	-49.7	-46.6	-172.6	-175.6	-179.5	-169.4	179.3	0.9	113.4	H10 Q15 I16 R17 Y151 E183	H10-R13 VanDerWaalsContact O-CB 3.26Å; H10-R13 WeakPolarHBondContact O-CB 3.12Å; H10-R13 PolarHBondContact O-N 3.11Å; R13-Q15 PolarHBondContact O-N 2.86Å; R13-I16 PolarHBondContact O-N 2.88Å; R13-R17 WeakPolarHBondContact O-CG 3.48Å; R13-R17 PolarHBondContact O-N 2.72Å; R13-Y151 WeakPolarHBondContact CB-OH 3.44Å; R13-Y151 HydrophobicContact CG-CE1 4.18Å; R13-E183 IonicContact NH1-OE1 3.54Å
14	E	94	Very high	92.2	Very high	140 Å²	140	84 Å²	84	65%	0.654	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-38.6	-179.9	-63.7	-50.5	128.1	0	0	112.6	L12 R17 R18	L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.08Å; E14-R17 PolarHBondContact O-N 2.87Å; E14-R18 WeakPolarHBondContact O-CB 3.37Å; E14-R18 PolarHBondContact O-N 3.4Å; E14-R18 VanDerWaalsContact O-N 3.08Å
15	Q	96.6	Very high	93.1	Very high	104 Å²	104	89.4 Å²	89.4	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-46	174.9	-64.3	178.6	-5.1	0	0	110.4	L12 R13 R17 R18 E19	L12-Q15 WeakPolarHBondContact O-CB 3.31Å; L12-Q15 PolarHBondContact O-N 2.75Å; R13-Q15 PolarHBondContact O-N 2.86Å; Q15-R17 VanDerWaalsContact C-N 3.33Å; Q15-R17 PolarHBondContact O-N 3.32Å; Q15-R18 PolarHBondContact O-N 3.36Å; Q15-R18 VanDerWaalsContact O-N 3.09Å; Q15-E19 WeakPolarHBondContact O-CG 3.47Å; Q15-E19 PolarHBondContact O-N 3.42Å
16	I	95	Very high	93.3	Very high	20 Å²	20	89.5 Å²	89.5	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-56.6	-47.6	176.5	-67.9	168	0	0	0	110.4	F9 L12 R13 R18 E19 F20 W148 Y151 L152	F9-I16 HydrophobicContact CB-CD1 4.06Å; F9-I16 HydrophobicContact CD2-CD1 3.72Å; F9-I16 HydrophobicContact CG-CD1 4.25Å; L12-I16 HydrophobicContact CB-CD1 4.21Å; L12-I16 HydrophobicContact CB-CG1 4.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 2.86Å; R13-I16 PolarHBondContact O-N 2.88Å; I16-R18 VanDerWaalsContact C-N 3.27Å; I16-R18 PolarHBondContact O-N 3.34Å; I16-E19 PolarHBondContact O-N 3.07Å; I16-F20 HydrophobicContact CG2-CD2 3.92Å; I16-F20 HydrophobicContact CG2-CE2 4.42Å; I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.24Å; I16-F20 VanDerWaalsContact O-CD2 3.3Å; I16-F20 WeakPolarHBondContact O-CD2 3.44Å; I16-F20 PolarHBondContact O-N 2.99Å; I16-W148 HydrophobicContact CG2-CZ3 4.14Å; I16-Y151 HydrophobicContact CD1-CE1 4.47Å; I16-Y151 HydrophobicContact CG2-CE1 4.25Å; I16-L152 HydrophobicContact CG2-CD2 3.87Å
17	R	91.9	Very high	93.2	Very high	88 Å²	88	91.4 Å²	91.4	33%	0.332	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-34	178.2	-71.9	178.5	73.4	96.1	0.1	112.8	R13 E14 Q15 L152 A153	R13-R17 WeakPolarHBondContact O-CG 3.48Å; R13-R17 PolarHBondContact O-N 2.72Å; E14-R17 PolarHBondContact O-N 2.87Å; Q15-R17 VanDerWaalsContact C-N 3.33Å; Q15-R17 PolarHBondContact O-N 3.32Å; R17-L152 VanDerWaalsContact CZ-O 3.27Å; R17-L152 PolarHBondContact NH1-O 2.91Å; R17-L152 PolarHBondContact NH2-O 2.95Å; R17-A153 PolarHBondContact NH1-O 3.38Å; R17-A153 PolarHBondContact NH2-O 3.13Å; R17-A153 VanDerWaalsContact NH2-O 3.1Å
18	R	92.7	Very high	93.2	Very high	162 Å²	162	94 Å²	94	61%	0.611	43%	0.43	S	S	*	.	H	α-helix	trans	-73.6	-42	177.4	-171.9	-174	68.8	-155.2	-1.1	112.9	E14 Q15 I16 T21	E14-R18 WeakPolarHBondContact O-CB 3.37Å; E14-R18 PolarHBondContact O-N 3.4Å; E14-R18 VanDerWaalsContact O-N 3.08Å; Q15-R18 PolarHBondContact O-N 3.36Å; Q15-R18 VanDerWaalsContact O-N 3.09Å; I16-R18 VanDerWaalsContact C-N 3.27Å; I16-R18 PolarHBondContact O-N 3.34Å; R18-T21 WeakPolarHBondContact O-CG2 3.39Å
19	E	94.4	Very high	93.2	Very high	123 Å²	123	91.5 Å²	91.5	58%	0.575	42%	0.421	S	S	*	.	H	α-helix	trans	-79.4	-33.1	-177.5	-58.8	-54.5	142.9	0	0	111.9	Q15 I16 T21	Q15-E19 WeakPolarHBondContact O-CG 3.47Å; Q15-E19 PolarHBondContact O-N 3.42Å; I16-E19 PolarHBondContact O-N 3.07Å; E19-T21 VanDerWaalsContact C-N 3.28Å; E19-T21 PolarHBondContact O-N 3.11Å
20	F	91.9	Very high	93.1	Very high	136 Å²	136	90.2 Å²	90.2	60%	0.596	42%	0.416	S	S	*	.	S	Bend	trans	-93.2	51.2	-179.5	-70.9	-98.9	0	0	0	112.1	I16 L152	I16-F20 HydrophobicContact CG2-CD2 3.92Å; I16-F20 HydrophobicContact CG2-CE2 4.42Å; I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.24Å; I16-F20 VanDerWaalsContact O-CD2 3.3Å; I16-F20 WeakPolarHBondContact O-CD2 3.44Å; I16-F20 PolarHBondContact O-N 2.99Å; F20-L152 HydrophobicContact CB-CD1 4.09Å; F20-L152 HydrophobicContact CB-CD2 3.84Å
21	T	89.4	Confident	92.9	Very high	93 Å²	93	93.1 Å²	93.1	57%	0.571	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-89.6	141	169.9	55.8	0	0	0	0	111	R18 E19	R18-T21 WeakPolarHBondContact O-CG2 3.39Å; E19-T21 VanDerWaalsContact C-N 3.28Å; E19-T21 PolarHBondContact O-N 3.11Å
22	L	91.2	Very high	92.7	Very high	33 Å²	33	89.2 Å²	89.2	17%	0.173	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-59.8	139.9	174.9	-65.1	172.5	0	0	0	111.4	L26 R27 A130 P134	L22-L26 HydrophobicContact CB-CB 4.41Å; L22-L26 HydrophobicContact CD2-CB 4.48Å; L22-L26 HydrophobicContact CD2-CD1 4.45Å; L22-R27 HydrophobicContact CB-CB 4.21Å; L22-R27 PolarHBondContact O-NH2 3.49Å; L22-A130 HydrophobicContact CD1-CB 3.9Å; L22-A130 HydrophobicContact CD2-CB 4.04Å; L22-P134 HydrophobicContact CD1-CG 4.18Å
23	H	92.7	Very high	92.5	Very high	137 Å²	137	88.8 Å²	88.8	63%	0.634	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-55.3	146.4	163.6	-68.9	-64.4	0	0	0	110.5	H25 L26 R27	H23-H25 VanDerWaalsContact C-N 3.31Å; H23-H25 PolarHBondContact O-N 3.4Å; H23-L26 PolarHBondContact O-N 3.1Å; H23-R27 PolarHBondContact O-N 3.37Å; H23-R27 VanDerWaalsContact O-N 3.07Å
24	D	92.7	Very high	92.4	Very high	97 Å²	97	87 Å²	87	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-54.5	-44.5	-171.2	-64.7	-31.9	0	0	0	112.6	L26 R27 E28	D24-L26 PolarHBondContact O-N 3.05Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.38Å; D24-R27 VanDerWaalsContact O-N 3.11Å; D24-R27 IonicContact OD1-CZ 2.86Å; D24-R27 IonicContact OD1-NH1 3.95Å; D24-R27 PolarHBondContact OD1-NH1 2.87Å; D24-R27 VanDerWaalsContact OD1-NH1 3.09Å; D24-R27 IonicContact OD1-NH2 3.85Å; D24-R27 PolarHBondContact OD1-NH2 3.19Å; D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 VanDerWaalsContact O-CG 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.45Å; D24-E28 PolarHBondContact O-N 2.86Å
25	H	93.1	Very high	92.3	Very high	117 Å²	117	81.9 Å²	81.9	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-59.8	-39.5	178.5	71.2	-81.9	0	0	0	113.8	H23 E29	H23-H25 VanDerWaalsContact C-N 3.31Å; H23-H25 PolarHBondContact O-N 3.4Å; H25-E29 WeakPolarHBondContact O-CB 3.48Å; H25-E29 PolarHBondContact O-N 3.27Å
26	L	92.6	Very high	92	Very high	16 Å²	16	83.3 Å²	83.3	8%	0.084	40%	0.404	C	S	.	.	H	α-helix	trans	-70.1	-37.3	176.9	-64.4	178.7	0	0	0	111.2	L22 H23 D24 A30 A130	L22-L26 HydrophobicContact CB-CB 4.41Å; L22-L26 HydrophobicContact CD2-CB 4.48Å; L22-L26 HydrophobicContact CD2-CD1 4.45Å; H23-L26 PolarHBondContact O-N 3.1Å; D24-L26 PolarHBondContact O-N 3.05Å; L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.89Å; L26-A130 HydrophobicContact CB-CB 4.15Å
27	R	91.6	Very high	91.8	Very high	88 Å²	88	83.7 Å²	83.7	33%	0.332	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-45.1	177	-164.7	-170.8	-47.1	142.7	15.9	110.8	L22 H23 D24 A30 Q31	L22-R27 HydrophobicContact CB-CB 4.21Å; L22-R27 PolarHBondContact O-NH2 3.49Å; H23-R27 PolarHBondContact O-N 3.37Å; H23-R27 VanDerWaalsContact O-N 3.07Å; D24-R27 WeakPolarHBondContact O-CB 3.44Å; D24-R27 PolarHBondContact O-N 3.38Å; D24-R27 VanDerWaalsContact O-N 3.11Å; D24-R27 IonicContact OD1-CZ 2.86Å; D24-R27 IonicContact OD1-NH1 3.95Å; D24-R27 PolarHBondContact OD1-NH1 2.87Å; D24-R27 VanDerWaalsContact OD1-NH1 3.09Å; D24-R27 IonicContact OD1-NH2 3.85Å; D24-R27 PolarHBondContact OD1-NH2 3.19Å; R27-A30 PolarHBondContact O-N 2.85Å; R27-Q31 VanDerWaalsContact O-CB 3.27Å; R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 WeakPolarHBondContact O-CG 3.2Å; R27-Q31 PolarHBondContact O-N 3.49Å
28	E	92.8	Very high	91.6	Very high	128 Å²	128	84.9 Å²	84.9	60%	0.598	41%	0.411	S	S	*	.	H	α-helix	trans	-63.9	-43.1	177.3	-73.2	171.5	-173.8	0	0	111.6	D24 Q31 S32	D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 VanDerWaalsContact O-CG 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.45Å; D24-E28 PolarHBondContact O-N 2.86Å; E28-Q31 PolarHBondContact O-N 2.79Å; E28-S32 WeakPolarHBondContact O-CB 3.44Å; E28-S32 PolarHBondContact O-N 3.3Å
29	E	90.8	Very high	91.2	Very high	97 Å²	97	78.7 Å²	78.7	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-50.1	175.1	-173.8	177.2	-178.9	0	0	111.1	H25 Q31 S32 V33	H25-E29 WeakPolarHBondContact O-CB 3.48Å; H25-E29 PolarHBondContact O-N 3.27Å; E29-Q31 PolarHBondContact O-N 3.18Å; E29-S32 WeakPolarHBondContact O-CB 3.38Å; E29-S32 PolarHBondContact O-N 2.74Å; E29-V33 PolarHBondContact O-N 3.5Å
30	A	91.4	Very high	90.3	Very high	3 Å²	3	76.2 Å²	76.2	3%	0.025	40%	0.398	C	S	.	.	H	α-helix	trans	-62.8	-43.2	177.4	0	0	0	0	0	112.4	L26 R27 S32 V33 L34 A130 L131	L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.89Å; R27-A30 PolarHBondContact O-N 2.85Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 2.89Å; A30-V33 PolarHBondContact O-N 2.96Å; A30-L34 WeakPolarHBondContact O-CG 3.27Å; A30-L34 PolarHBondContact O-N 3.42Å; A30-A130 HydrophobicContact CB-CB 4.22Å; A30-A130 WeakPolarHBondContact CB-O 3.47Å; A30-L131 HydrophobicContact CB-CD2 4.31Å
31	Q	90.8	Very high	89.4	Confident	111 Å²	111	79.6 Å²	79.6	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-32.7	177.1	-76.7	175.5	-7.1	0	0	112.6	R27 E28 E29 G35	R27-Q31 VanDerWaalsContact O-CB 3.27Å; R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 WeakPolarHBondContact O-CG 3.2Å; R27-Q31 PolarHBondContact O-N 3.49Å; E28-Q31 PolarHBondContact O-N 2.79Å; E29-Q31 PolarHBondContact O-N 3.18Å; Q31-G35 WeakPolarHBondContact O-CA 3.48Å; Q31-G35 PolarHBondContact O-N 3.28Å
32	S	92.3	Very high	88.9	Confident	65 Å²	65	79.4 Å²	79.4	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-45.2	173.4	-176.4	0	0	0	0	110.9	E28 E29 A30 Q36	E28-S32 WeakPolarHBondContact O-CB 3.44Å; E28-S32 PolarHBondContact O-N 3.3Å; E29-S32 WeakPolarHBondContact O-CB 3.38Å; E29-S32 PolarHBondContact O-N 2.74Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 2.89Å; S32-Q36 WeakPolarHBondContact O-CG 3.27Å; S32-Q36 PolarHBondContact O-N 2.91Å; S32-Q36 PolarHBondContact O-NE2 3.22Å; S32-Q36 VanDerWaalsContact O-NE2 3.13Å; S32-Q36 PolarHBondContact OG-NE2 2.88Å
33	V	91.3	Very high	88.5	Confident	55 Å²	55	80 Å²	80	33%	0.333	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-54.9	176.3	176.5	0	0	0	0	110.8	E29 A30 G35 Q36 A117 L131	E29-V33 PolarHBondContact O-N 3.5Å; A30-V33 PolarHBondContact O-N 2.96Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.03Å; V33-Q36 PolarHBondContact O-N 3.09Å; V33-A117 HydrophobicContact CG1-CB 4.42Å; V33-L131 HydrophobicContact CB-CD2 3.96Å; V33-L131 HydrophobicContact CG1-CD2 3.92Å; V33-L131 HydrophobicContact CG2-CD2 4.31Å
34	L	91.9	Very high	88.3	Confident	14 Å²	14	78 Å²	78	7%	0.073	41%	0.414	C	S	.	.	H	α-helix	trans	-65.2	-36.7	-176.5	-63.1	178.2	0	0	0	112.4	A30 Q36 L37 F49 V94 P134	A30-L34 WeakPolarHBondContact O-CG 3.27Å; A30-L34 PolarHBondContact O-N 3.42Å; L34-Q36 PolarHBondContact O-N 2.92Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 PolarHBondContact O-N 3.41Å; L34-F49 HydrophobicContact CB-CE1 4.49Å; L34-F49 HydrophobicContact CB-CZ 4.37Å; L34-F49 HydrophobicContact CD2-CD1 4.15Å; L34-F49 HydrophobicContact CD2-CE1 4.3Å; L34-V94 HydrophobicContact CD2-CG1 4.13Å; L34-V94 HydrophobicContact CD2-CG2 3.67Å; L34-P134 HydrophobicContact CD1-CB 4.34Å
35	G	90.8	Very high	88.1	Confident	33 Å²	33	81.8 Å²	81.8	34%	0.34	42%	0.421	S	S	.	.	H	α-helix	trans	-70.3	-15.8	-179.2	0	0	0	0	0	114.3	Q31 V33 R38	Q31-G35 WeakPolarHBondContact O-CA 3.48Å; Q31-G35 PolarHBondContact O-N 3.28Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.03Å; G35-R38 PolarHBondContact O-NH1 2.85Å; G35-R38 PolarHBondContact O-NH2 2.95Å
36	Q	90.9	Very high	88	Confident	134 Å²	134	76.8 Å²	76.8	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-85.3	-19.3	173.6	-71.4	171.1	39.4	0	0	112.8	S32 V33 L34 R38	S32-Q36 WeakPolarHBondContact O-CG 3.27Å; S32-Q36 PolarHBondContact O-N 2.91Å; S32-Q36 PolarHBondContact O-NE2 3.22Å; S32-Q36 VanDerWaalsContact O-NE2 3.13Å; S32-Q36 PolarHBondContact OG-NE2 2.88Å; V33-Q36 PolarHBondContact O-N 3.09Å; L34-Q36 PolarHBondContact O-N 2.92Å; Q36-R38 PolarHBondContact O-NH1 2.85Å
37	L	90.1	Very high	87.9	Confident	28 Å²	28	87 Å²	87	15%	0.147	44%	0.436	C	S	.	.			trans	-67.1	138.5	-177.5	-58.9	179.1	0	0	0	111.5	L34 P46 F49 V92 V94 T115	L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 PolarHBondContact O-N 3.41Å; L37-P46 HydrophobicContact CB-CG 4.3Å; L37-P46 WeakPolarHBondContact O-CD 3.14Å; L37-F49 HydrophobicContact CB-CE1 4.35Å; L37-F49 HydrophobicContact CD1-CD1 4.45Å; L37-F49 HydrophobicContact CD1-CE1 3.88Å; L37-V92 HydrophobicContact CD1-CG1 4.07Å; L37-V94 HydrophobicContact CD1-CG2 4.42Å; L37-T115 HydrophobicContact CD1-CG2 4.32Å; L37-T115 HydrophobicContact CD2-CG2 3.8Å
38	R	88.5	Confident	88.2	Confident	113 Å²	113	83.8 Å²	83.8	43%	0.426	43%	0.426	S	S	.	.			trans	-133.4	145	179.8	-62.3	-63.6	179.6	-91.1	-5.2	109.3	G35 Q36 G40 G43 D44	G35-R38 PolarHBondContact O-NH1 2.85Å; G35-R38 PolarHBondContact O-NH2 2.95Å; Q36-R38 PolarHBondContact O-NH1 2.85Å; R38-G40 PolarHBondContact O-N 3.22Å; R38-G43 VanDerWaalsContact CD-O 3.31Å; R38-G43 WeakPolarHBondContact CD-O 3.38Å; R38-D44 CarbonylContact C-O 3.59Å; R38-D44 WeakPolarHBondContact CA-O 3.48Å
39	L	84.9	Confident	88.4	Confident	31 Å²	31	79.1 Å²	79.1	16%	0.162	40%	0.404	C	S	.	.			trans	-70	121.9	175	-63.9	179.4	0	0	0	109.5	R41 T42 G43 D44 P46 A90 V92	L39-R41 PolarHBondContact O-N 2.78Å; L39-T42 PolarHBondContact O-N 3.44Å; L39-G43 WeakPolarHBondContact O-CA 3.35Å; L39-G43 PolarHBondContact O-N 3.36Å; L39-D44 HydrophobicContact CD1-CB 4.32Å; L39-D44 PolarHBondContact N-O 2.88Å; L39-P46 HydrophobicContact CD2-CB 4.13Å; L39-P46 HydrophobicContact CD2-CG 3.96Å; L39-P46 HydrophobicContact CG-CG 4.24Å; L39-A90 HydrophobicContact CD1-CB 3.81Å; L39-A90 HydrophobicContact CD2-CB 4.06Å; L39-V92 HydrophobicContact CD2-CG2 3.68Å
40	G	74.4	Confident	88.8	Confident	72 Å²	72	74.5 Å²	74.5	74%	0.742	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.9	-171.6	0	0	0	0	0	115.3	R38	R38-G40 PolarHBondContact O-N 3.22Å
41	R	73.1	Confident	89.1	Confident	207 Å²	207	74.4 Å²	74.4	78%	0.781	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-34	-178.7	-65.2	-174.1	-174.8	176.7	4.6	114.3	L39	L39-R41 PolarHBondContact O-N 2.78Å
42	T	79.7	Confident	89.5	Confident	89 Å²	89	69.1 Å²	69.1	55%	0.546	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-18.8	-171.8	66.1	0	0	0	0	113.4	L39 D44	L39-T42 PolarHBondContact O-N 3.44Å; T42-D44 WeakPolarHBondContact CB-OD2 3.44Å; T42-D44 PolarHBondContact O-N 2.78Å; T42-D44 WeakPolarHBondContact OG1-CB 3.24Å; T42-D44 VanDerWaalsContact OG1-CG 3.26Å; T42-D44 PolarHBondContact OG1-N 2.87Å; T42-D44 PolarHBondContact OG1-OD2 3.3Å
43	G	82.5	Confident	89.8	Confident	46 Å²	46	66.3 Å²	66.3	47%	0.474	34%	0.336	S	S	.	.			trans	74.2	8	-171.5	0	0	0	0	0	113.6	R38 L39	R38-G43 VanDerWaalsContact CD-O 3.31Å; R38-G43 WeakPolarHBondContact CD-O 3.38Å; L39-G43 WeakPolarHBondContact O-CA 3.35Å; L39-G43 PolarHBondContact O-N 3.36Å
44	D	87.6	Confident	90.2	Very high	95 Å²	95	63.7 Å²	63.7	51%	0.508	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-75.2	162.4	179.6	-65.4	-46.4	0	0	0	112.4	R38 L39 T42	R38-D44 CarbonylContact C-O 3.59Å; R38-D44 WeakPolarHBondContact CA-O 3.48Å; L39-D44 HydrophobicContact CD1-CB 4.32Å; L39-D44 PolarHBondContact N-O 2.88Å; T42-D44 WeakPolarHBondContact CB-OD2 3.44Å; T42-D44 PolarHBondContact O-N 2.78Å; T42-D44 WeakPolarHBondContact OG1-CB 3.24Å; T42-D44 VanDerWaalsContact OG1-CG 3.26Å; T42-D44 PolarHBondContact OG1-N 2.87Å; T42-D44 PolarHBondContact OG1-OD2 3.3Å
45	R	89.3	Confident	90.4	Very high	176 Å²	176	65.4 Å²	65.4	66%	0.664	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-73.4	129.7	170.6	-69.7	-169.5	-179.7	-171.2	0.7	110.1
46	P	90.6	Very high	90.7	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.078	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-59.9	140.2	172.6	-19.7	31.1	0	0	0	110.8	L37 L39 F49 V92	L37-P46 HydrophobicContact CB-CG 4.3Å; L37-P46 WeakPolarHBondContact O-CD 3.14Å; L39-P46 HydrophobicContact CD2-CB 4.13Å; L39-P46 HydrophobicContact CD2-CG 3.96Å; L39-P46 HydrophobicContact CG-CG 4.24Å; P46-F49 HydrophobicContact CB-CE1 3.87Å; P46-F49 HydrophobicContact CB-CE2 4.39Å; P46-F49 HydrophobicContact CB-CZ 3.79Å; P46-F49 HydrophobicContact CG-CE1 4.03Å; P46-F49 HydrophobicContact CG-CZ 4.08Å; P46-V92 HydrophobicContact CB-CB 4.16Å; P46-V92 HydrophobicContact CB-CG2 3.66Å; P46-V92 HydrophobicContact CG-CB 4.27Å; P46-V92 HydrophobicContact CG-CG2 3.53Å
47	R	90.8	Very high	90.9	Very high	230 Å²	230	60 Å²	60	87%	0.868	30%	0.298	S	S	*	.	S	Bend	trans	-100.2	-17.7	174.3	-63.7	-173.8	179.4	-149.1	1.4	113
48	T	96.8	Very high	91.1	Very high	21 Å²	21	62.3 Å²	62.3	13%	0.129	31%	0.311	C	S	.	.			trans	-128.4	114.2	-176.8	-58.5	0	0	0	0	109.2	V50 H88 P91 V92 N136	T48-V50 HydrophobicContact CG2-CG2 4.44Å; T48-H88 HydrophobicContact CG2-CB 3.97Å; T48-P91 HydrophobicContact CG2-CB 4.22Å; T48-P91 WeakPolarHBondContact O-CA 3.09Å; T48-V92 PolarHBondContact O-N 3.31Å; T48-N136 WeakPolarHBondContact CA-OD1 3.45Å
49	F	98.2	Very high	91.5	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131	170.8	-63	-79.5	0	0	0	109.7	L34 L37 P46 V92 V94 C135 N136 H137	L34-F49 HydrophobicContact CB-CE1 4.49Å; L34-F49 HydrophobicContact CB-CZ 4.37Å; L34-F49 HydrophobicContact CD2-CD1 4.15Å; L34-F49 HydrophobicContact CD2-CE1 4.3Å; L37-F49 HydrophobicContact CB-CE1 4.35Å; L37-F49 HydrophobicContact CD1-CD1 4.45Å; L37-F49 HydrophobicContact CD1-CE1 3.88Å; P46-F49 HydrophobicContact CB-CE1 3.87Å; P46-F49 HydrophobicContact CB-CE2 4.39Å; P46-F49 HydrophobicContact CB-CZ 3.79Å; P46-F49 HydrophobicContact CG-CE1 4.03Å; P46-F49 HydrophobicContact CG-CZ 4.08Å; F49-V92 WeakPolarHBondContact CA-O 3.18Å; F49-V92 HydrophobicContact CD1-CB 4.15Å; F49-V92 HydrophobicContact CD1-CG1 4.24Å; F49-V92 HydrophobicContact CE1-CB 4.36Å; F49-V92 HydrophobicContact CE1-CG1 4.37Å; F49-V94 HydrophobicContact CD1-CG2 3.97Å; F49-C135 HydrophobicContact CB-CB 4.12Å; F49-N136 PolarHBondContact N-OD1 3.11Å; F49-N136 WeakPolarHBondContact O-CB 3.19Å; F49-N136 PolarHBondContact O-N 3.25Å; F49-H137 PolarHBondContact O-N 3.43Å
50	V	98.8	Very high	92	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.4	173.3	-173.5	0	0	0	0	107.4	T48 F84 P91 V92 F93 V94 H137 I139	T48-V50 HydrophobicContact CG2-CG2 4.44Å; V50-F84 HydrophobicContact CG1-CD1 4.31Å; V50-F84 HydrophobicContact CG1-CD2 3.85Å; V50-F84 HydrophobicContact CG1-CE1 4.34Å; V50-F84 HydrophobicContact CG1-CE2 3.86Å; V50-F84 HydrophobicContact CG1-CG 4.09Å; V50-F84 HydrophobicContact CG1-CZ 4.12Å; V50-F84 HydrophobicContact CG2-CB 4.25Å; V50-F84 HydrophobicContact CG2-CD1 3.91Å; V50-F84 HydrophobicContact CG2-CE1 4.46Å; V50-F84 HydrophobicContact CG2-CG 3.99Å; V50-P91 HydrophobicContact CG2-CB 4.02Å; V50-V92 PolarHBondContact N-O 3.14Å; V50-F93 HydrophobicContact CB-CD1 3.69Å; V50-F93 HydrophobicContact CB-CE1 3.87Å; V50-F93 HydrophobicContact CG1-CD1 3.94Å; V50-F93 HydrophobicContact CG1-CE1 3.98Å; V50-F93 HydrophobicContact CG2-CD1 4.26Å; V50-F93 HydrophobicContact CG2-CE1 4Å; V50-F93 CarbonylContact O-C 3.56Å; V50-F93 WeakPolarHBondContact O-CA 3.18Å; V50-V94 PolarHBondContact O-N 2.65Å; V50-H137 WeakPolarHBondContact CA-O 3.37Å; V50-H137 HydrophobicContact CB-CB 4.48Å; V50-H137 HydrophobicContact CG1-CB 4.18Å; V50-H137 HydrophobicContact CG2-CB 4.16Å; V50-I139 HydrophobicContact CG1-CD1 4.12Å; V50-I139 HydrophobicContact CG1-CG1 3.91Å
51	G	98.7	Very high	93	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129	174.8	0	0	0	0	0	109.9	H137 T138 I139	G51-H137 PolarHBondContact N-O 3.09Å; G51-T138 CarbonylContact O-C 3.08Å; G51-T138 VanDerWaalsContact O-CA 3.3Å; G51-T138 WeakPolarHBondContact O-CA 3.46Å; G51-I139 PolarHBondContact O-N 3.37Å
52	V	98.8	Very high	94.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	107.1	-178.4	-174.6	0	0	0	0	109	V54 L77 M81 F93 V94 V95 T96 I139	V52-V54 HydrophobicContact CG1-CG2 4.11Å; V52-L77 HydrophobicContact CG1-CD2 4.24Å; V52-M81 HydrophobicContact CG1-CE 4.15Å; V52-M81 HydrophobicContact CG2-CE 4.23Å; V52-F93 HydrophobicContact CG2-CB 3.95Å; V52-F93 HydrophobicContact CG2-CD1 3.87Å; V52-F93 HydrophobicContact CG2-CG 4.39Å; V52-V94 PolarHBondContact N-O 3.21Å; V52-V95 HydrophobicContact CB-CG2 4.1Å; V52-V95 HydrophobicContact CG1-CG2 4.47Å; V52-V95 WeakPolarHBondContact O-CA 3.32Å; V52-T96 PolarHBondContact O-N 3.43Å; V52-I139 WeakPolarHBondContact CA-O 3.5Å; V52-I139 HydrophobicContact CB-CB 4.46Å; V52-I139 HydrophobicContact CG1-CB 4.17Å; V52-I139 HydrophobicContact CG1-CG2 4.24Å; V52-I139 HydrophobicContact CG2-CB 4.2Å; V52-I139 HydrophobicContact CG2-CD1 4.02Å; V52-I139 HydrophobicContact CG2-CG1 4.46Å
53	H	98.5	Very high	94.8	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.032	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.5	178.2	179.1	-101.5	0	0	0	111.9	L132 I139 T141 F145	H53-L132 HydrophobicContact CB-CD1 3.93Å; H53-I139 PolarHBondContact N-O 2.84Å; H53-T141 PolarHBondContact O-N 3.25Å; H53-T141 VanDerWaalsContact O-N 3.15Å; H53-T141 PolarHBondContact O-OG1 2.98Å; H53-F145 AromaticContact CD2-CD1 3.37Å; H53-F145 WeakPolarHBondContact CD2-CD1 3.46Å; H53-F145 AromaticContact CD2-CE1 3.53Å; H53-F145 AromaticContact CE1-CD1 3.63Å; H53-F145 AromaticContact CG-CD1 3.89Å; H53-F145 AromaticContact NE2-CD1 3.19Å; H53-F145 WeakPolarHBondContact NE2-CD1 3.4Å; H53-F145 AromaticContact NE2-CE1 3.7Å; H53-F145 AromaticContact NE2-CG 3.95Å
54	V	98.4	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108	179.2	-169.4	0	0	0	0	109.8	V52 R56 L77 V95 T96 S97 W102 T141	V52-V54 HydrophobicContact CG1-CG2 4.11Å; V54-R56 HydrophobicContact CG1-CG 4.08Å; V54-L77 HydrophobicContact CG1-CD1 4.42Å; V54-L77 HydrophobicContact CG2-CD1 4.06Å; V54-L77 HydrophobicContact CG2-CD2 3.96Å; V54-V95 HydrophobicContact CG2-CG1 4.45Å; V54-T96 PolarHBondContact N-O 3.44Å; V54-S97 WeakPolarHBondContact O-CA 3.5Å; V54-S97 WeakPolarHBondContact O-CB 3.46Å; V54-S97 PolarHBondContact O-OG 3.22Å; V54-W102 HydrophobicContact CG1-CE3 4.45Å; V54-W102 HydrophobicContact CG1-CZ3 4.09Å; V54-T141 HydrophobicContact CG1-CG2 4.32Å
55	R	97.4	Very high	95.8	Very high	49 Å²	49	54.9 Å²	54.9	19%	0.185	26%	0.255	C	S	.	.			trans	-86	120.7	175.3	-174.7	64.9	-177.1	174.8	7.6	110	D58 Y59 N98 E122 T141 I142	R55-D58 IonicContact CZ-OD1 3.35Å; R55-D58 IonicContact NE-OD1 3.58Å; R55-D58 IonicContact NH2-OD1 3.02Å; R55-D58 PolarHBondContact NH2-OD1 2.79Å; R55-Y59 HydrophobicContact CG-CD1 4.14Å; R55-Y59 HydrophobicContact CG-CD2 4.02Å; R55-Y59 HydrophobicContact CG-CE1 4.46Å; R55-Y59 HydrophobicContact CG-CE2 4.35Å; R55-Y59 HydrophobicContact CG-CG 3.91Å; R55-N98 PolarHBondContact NH1-ND2 3.38Å; R55-E122 IonicContact CZ-OE1 2.83Å; R55-E122 IonicContact NH1-OE1 2.73Å; R55-E122 PolarHBondContact NH1-OE1 2.99Å; R55-E122 IonicContact NH2-OE1 2.62Å; R55-E122 PolarHBondContact NH2-OE1 3.33Å; R55-T141 PolarHBondContact N-OG1 3.05Å; R55-I142 WeakPolarHBondContact CB-O 3.38Å
56	R	96.1	Very high	96	Very high	27 Å²	27	54.7 Å²	54.7	10%	0.102	25%	0.254	C	S	.	.			trans	-128.2	-117.4	172.6	-56.5	-171.6	69.4	80.8	-2.5	108.3	V54 D58 Y59 L60 N98 W102	V54-R56 HydrophobicContact CG1-CG 4.08Å; R56-D58 PolarHBondContact O-N 2.8Å; R56-Y59 WeakPolarHBondContact O-CB 3.2Å; R56-Y59 PolarHBondContact O-N 2.81Å; R56-Y59 VanDerWaalsContact O-N 3.09Å; R56-L60 HydrophobicContact CB-CD1 4.22Å; R56-L60 HydrophobicContact CB-CD2 4.46Å; R56-L60 HydrophobicContact CB-CG 4.22Å; R56-N98 WeakPolarHBondContact CA-OD1 3.46Å; R56-N98 PolarHBondContact N-OD1 3.08Å; R56-W102 VanDerWaalsContact NE-CG 3.29Å; R56-W102 VanDerWaalsContact NH1-CZ2 3.34Å
57	G	95.2	Very high	96.2	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-130.9	-179.5	0	0	0	0	0	112.1	Y59 L60 N98	G57-Y59 PolarHBondContact O-N 2.92Å; G57-Y59 VanDerWaalsContact O-N 3.11Å; G57-L60 WeakPolarHBondContact O-CB 3.48Å; G57-L60 PolarHBondContact O-N 3.2Å; G57-L60 VanDerWaalsContact O-N 3.08Å; G57-N98 PolarHBondContact N-OD1 2.81Å
58	D	94.9	Very high	96.5	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	178.2	66.9	-50.5	0	0	0	114	R55 R56 L60 Q61 V62	R55-D58 IonicContact CZ-OD1 3.35Å; R55-D58 IonicContact NE-OD1 3.58Å; R55-D58 IonicContact NH2-OD1 3.02Å; R55-D58 PolarHBondContact NH2-OD1 2.79Å; R56-D58 PolarHBondContact O-N 2.8Å; D58-L60 PolarHBondContact O-N 3.03Å; D58-Q61 PolarHBondContact O-N 3.28Å; D58-V62 WeakPolarHBondContact O-CG2 3.37Å; D58-V62 PolarHBondContact O-N 3.39Å
59	Y	96	Very high	96.5	Very high	47 Å²	47	48.4 Å²	48.4	18%	0.184	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-24	179.3	-83.1	-125.6	0	0	0	112.6	R55 R56 G57 Q61 M63 I142	R55-Y59 HydrophobicContact CG-CD1 4.14Å; R55-Y59 HydrophobicContact CG-CD2 4.02Å; R55-Y59 HydrophobicContact CG-CE1 4.46Å; R55-Y59 HydrophobicContact CG-CE2 4.35Å; R55-Y59 HydrophobicContact CG-CG 3.91Å; R56-Y59 WeakPolarHBondContact O-CB 3.2Å; R56-Y59 PolarHBondContact O-N 2.81Å; R56-Y59 VanDerWaalsContact O-N 3.09Å; G57-Y59 PolarHBondContact O-N 2.92Å; G57-Y59 VanDerWaalsContact O-N 3.11Å; Y59-Q61 PolarHBondContact O-N 3.39Å; Y59-M63 HydrophobicContact CD1-CG 3.66Å; Y59-M63 HydrophobicContact CD1-SD 3.69Å; Y59-M63 HydrophobicContact CE1-SD 4.01Å; Y59-M63 HydrophobicContact CG-CG 4.15Å; Y59-M63 WeakPolarHBondContact O-CB 3.42Å; Y59-M63 VanDerWaalsContact O-CG 3.26Å; Y59-M63 WeakPolarHBondContact O-CG 3.34Å; Y59-M63 PolarHBondContact O-N 3.35Å; Y59-I142 HydrophobicContact CD1-CB 4.34Å; Y59-I142 HydrophobicContact CD1-CG2 4.15Å; Y59-I142 HydrophobicContact CE1-CB 4.23Å; Y59-I142 HydrophobicContact CE1-CG2 3.68Å
60	L	96.7	Very high	96.5	Very high	76 Å²	76	47.6 Å²	47.6	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-25.6	174.3	-64.5	175.3	0	0	0	112.6	R56 G57 D58 P64 V71	R56-L60 HydrophobicContact CB-CD1 4.22Å; R56-L60 HydrophobicContact CB-CD2 4.46Å; R56-L60 HydrophobicContact CB-CG 4.22Å; G57-L60 WeakPolarHBondContact O-CB 3.48Å; G57-L60 PolarHBondContact O-N 3.2Å; G57-L60 VanDerWaalsContact O-N 3.08Å; D58-L60 PolarHBondContact O-N 3.03Å; L60-P64 WeakPolarHBondContact O-CD 3.23Å; L60-P64 VanDerWaalsContact O-CG 3.26Å; L60-P64 WeakPolarHBondContact O-CG 3.34Å; L60-V71 HydrophobicContact CD2-CG1 4.43Å; L60-V71 HydrophobicContact CD2-CG2 3.69Å
61	Q	95.7	Very high	96.4	Very high	126 Å²	126	48.9 Å²	48.9	59%	0.589	24%	0.235	S	C	*	.	H	α-helix	trans	-97.9	-48.8	175	-63.6	-178.5	-10.3	0	0	110.9	D58 Y59 M63 P64 Q65	D58-Q61 PolarHBondContact O-N 3.28Å; Y59-Q61 PolarHBondContact O-N 3.39Å; Q61-M63 PolarHBondContact O-N 3.26Å; Q61-P64 WeakPolarHBondContact O-CD 3.36Å; Q61-Q65 VanDerWaalsContact O-CB 3.25Å; Q61-Q65 WeakPolarHBondContact O-CB 3.33Å; Q61-Q65 VanDerWaalsContact O-CG 3.27Å; Q61-Q65 WeakPolarHBondContact O-CG 3.47Å; Q61-Q65 PolarHBondContact O-N 3.01Å; Q61-Q65 VanDerWaalsContact O-N 3.11Å
62	V	95	Very high	96.4	Very high	47 Å²	47	49 Å²	49	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-41.3	-171.8	172.7	0	0	0	0	112.1	D58 R66 W67	D58-V62 WeakPolarHBondContact O-CG2 3.37Å; D58-V62 PolarHBondContact O-N 3.39Å; V62-R66 HydrophobicContact CG1-CB 4.47Å; V62-R66 VanDerWaalsContact O-CB 3.28Å; V62-R66 WeakPolarHBondContact O-CB 3.36Å; V62-R66 PolarHBondContact O-N 3.29Å; V62-W67 VanDerWaalsContact CG1-CD1 3.49Å; V62-W67 VanDerWaalsContact CG1-NE1 3.33Å; V62-W67 PolarHBondContact O-N 2.99Å
63	M	95.9	Very high	96.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-56.5	-178.1	-66.2	-57.8	-60	0	0	112.4	Y59 Q61 W67 K68 G69 V71 I142 F163 T164	Y59-M63 HydrophobicContact CD1-CG 3.66Å; Y59-M63 HydrophobicContact CD1-SD 3.69Å; Y59-M63 HydrophobicContact CE1-SD 4.01Å; Y59-M63 HydrophobicContact CG-CG 4.15Å; Y59-M63 WeakPolarHBondContact O-CB 3.42Å; Y59-M63 VanDerWaalsContact O-CG 3.26Å; Y59-M63 WeakPolarHBondContact O-CG 3.34Å; Y59-M63 PolarHBondContact O-N 3.35Å; Q61-M63 PolarHBondContact O-N 3.26Å; M63-W67 HydrophobicContact CE-CB 4.48Å; M63-W67 CarbonylContact O-C 3.34Å; M63-W67 WeakPolarHBondContact O-CA 3.2Å; M63-W67 PolarHBondContact O-N 3.32Å; M63-W67 VanDerWaalsContact O-N 3.13Å; M63-K68 PolarHBondContact O-N 3.2Å; M63-K68 VanDerWaalsContact O-N 3.08Å; M63-G69 CarbonylContact C-O 3.55Å; M63-G69 WeakPolarHBondContact CB-O 3.39Å; M63-G69 PolarHBondContact O-N 2.83Å; M63-V71 HydrophobicContact CB-CG1 4.4Å; M63-V71 HydrophobicContact CG-CG1 3.97Å; M63-I142 HydrophobicContact CE-CD1 3.93Å; M63-F163 HydrophobicContact CE-CD2 3.53Å; M63-F163 HydrophobicContact CE-CE2 3.94Å; M63-T164 HydrophobicContact CE-CG2 4.25Å
64	P	95.6	Very high	96.3	Very high	43 Å²	43	53 Å²	53	28%	0.279	26%	0.261	S	S	.	.	H	α-helix	trans	-70.8	-41.3	-178.7	24.9	-33.8	0	0	0	112.9	L60 Q61 G69 L194	L60-P64 WeakPolarHBondContact O-CD 3.23Å; L60-P64 VanDerWaalsContact O-CG 3.26Å; L60-P64 WeakPolarHBondContact O-CG 3.34Å; Q61-P64 WeakPolarHBondContact O-CD 3.36Å; P64-G69 VanDerWaalsContact CA-O 3.31Å; P64-G69 WeakPolarHBondContact CA-O 3.39Å; P64-G69 VanDerWaalsContact N-O 3.09Å; P64-L194 HydrophobicContact CB-CD2 4.01Å
65	Q	94.1	Very high	96.3	Very high	157 Å²	157	54.2 Å²	54.2	73%	0.734	27%	0.27	S	S	*	.	H	α-helix	trans	-79.8	-33.6	-170.6	-61.7	177.6	11.3	0	0	113.5	Q61	Q61-Q65 VanDerWaalsContact O-CB 3.25Å; Q61-Q65 WeakPolarHBondContact O-CB 3.33Å; Q61-Q65 VanDerWaalsContact O-CG 3.27Å; Q61-Q65 WeakPolarHBondContact O-CG 3.47Å; Q61-Q65 PolarHBondContact O-N 3.01Å; Q61-Q65 VanDerWaalsContact O-N 3.11Å
66	R	94.2	Very high	96.4	Very high	172 Å²	172	51.9 Å²	51.9	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-108.3	-41.8	-175.3	-175.9	178.1	175.8	148.5	1.4	112.7	V62	V62-R66 HydrophobicContact CG1-CB 4.47Å; V62-R66 VanDerWaalsContact O-CB 3.28Å; V62-R66 WeakPolarHBondContact O-CB 3.36Å; V62-R66 PolarHBondContact O-N 3.29Å
67	W	95.1	Very high	96.5	Very high	45 Å²	45	50.7 Å²	50.7	17%	0.17	26%	0.257	C	S	.	.	H	α-helix	trans	-104.7	5.9	-169.2	-58.4	131.6	0	0	0	114.4	V62 M63 G69 S168 F170 I173	V62-W67 VanDerWaalsContact CG1-CD1 3.49Å; V62-W67 VanDerWaalsContact CG1-NE1 3.33Å; V62-W67 PolarHBondContact O-N 2.99Å; M63-W67 HydrophobicContact CE-CB 4.48Å; M63-W67 CarbonylContact O-C 3.34Å; M63-W67 WeakPolarHBondContact O-CA 3.2Å; M63-W67 PolarHBondContact O-N 3.32Å; M63-W67 VanDerWaalsContact O-N 3.13Å; W67-G69 PolarHBondContact O-N 3.13Å; W67-G69 VanDerWaalsContact O-N 3.17Å; W67-S168 WeakPolarHBondContact O-CB 3.49Å; W67-S168 PolarHBondContact O-OG 2.89Å; W67-F170 HydrophobicContact CB-CB 4.2Å; W67-F170 HydrophobicContact CB-CG 4.47Å; W67-F170 HydrophobicContact CD2-CB 4.14Å; W67-F170 AromaticContact CD2-CD2 3.72Å; W67-F170 HydrophobicContact CD2-CD2 3.72Å; W67-F170 HydrophobicContact CD2-CG 4.29Å; W67-F170 AromaticContact CE2-CD2 3.99Å; W67-F170 HydrophobicContact CE3-CB 3.75Å; W67-F170 AromaticContact CE3-CD2 3.91Å; W67-F170 HydrophobicContact CE3-CD2 3.91Å; W67-F170 HydrophobicContact CE3-CG 4.3Å; W67-F170 HydrophobicContact CG-CB 4.35Å; W67-F170 HydrophobicContact CG-CD2 4.03Å; W67-F170 HydrophobicContact CG-CG 4.38Å; W67-F170 HydrophobicContact CZ2-CD2 4.41Å; W67-F170 HydrophobicContact CZ3-CB 4.45Å; W67-F170 HydrophobicContact CZ3-CD2 4.33Å; W67-I173 HydrophobicContact CH2-CD1 4.2Å
68	K	96.4	Very high	96.7	Very high	85 Å²	85	55.9 Å²	55.9	37%	0.37	27%	0.268	S	S	.	.	S	Bend	trans	46.3	46.2	-175	-60	179.5	177.7	174.1	0	110.7	M63 T164 L165 D167 L194	M63-K68 PolarHBondContact O-N 3.2Å; M63-K68 VanDerWaalsContact O-N 3.08Å; K68-T164 CarbonylContact O-C 3.58Å; K68-T164 WeakPolarHBondContact O-CA 3.47Å; K68-L165 HydrophobicContact CB-CB 4.14Å; K68-L165 HydrophobicContact CB-CD1 4.12Å; K68-L165 HydrophobicContact CB-CG 4.15Å; K68-L165 HydrophobicContact CD-CD1 4.43Å; K68-L165 PolarHBondContact O-N 3.49Å; K68-D167 PolarHBondContact NZ-O 3.28Å; K68-D167 IonicContact NZ-OD1 2.7Å; K68-D167 IonicContact NZ-OD2 3.57Å; K68-D167 PolarHBondContact NZ-OD2 3.12Å; K68-L194 VanDerWaalsContact C-CD1 3.47Å; K68-L194 VanDerWaalsContact O-CD1 3.25Å; K68-L194 WeakPolarHBondContact O-CD1 3.43Å
69	G	96.9	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-136.4	170.5	-172.5	0	0	0	0	0	113	M63 P64 W67 F163	M63-G69 CarbonylContact C-O 3.55Å; M63-G69 WeakPolarHBondContact CB-O 3.39Å; M63-G69 PolarHBondContact O-N 2.83Å; P64-G69 VanDerWaalsContact CA-O 3.31Å; P64-G69 WeakPolarHBondContact CA-O 3.39Å; P64-G69 VanDerWaalsContact N-O 3.09Å; W67-G69 PolarHBondContact O-N 3.13Å; W67-G69 VanDerWaalsContact O-N 3.17Å; G69-F163 CarbonylContact C-O 3.6Å; G69-F163 WeakPolarHBondContact CA-O 3.35Å
70	V	97.9	Very high	97	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	26%	0.262	C	S	.	.			trans	-116.7	168.8	-178.9	-60.6	0	0	0	0	110.3	I142 F163 A189 L191 L194	V70-I142 WeakPolarHBondContact O-CD1 3.39Å; V70-F163 HydrophobicContact CG2-CB 4.28Å; V70-F163 PolarHBondContact N-O 2.88Å; V70-A189 HydrophobicContact CG2-CB 3.53Å; V70-L191 HydrophobicContact CG1-CD2 4.17Å; V70-L191 HydrophobicContact CG2-CD2 3.82Å; V70-L194 HydrophobicContact CG1-CD1 3.88Å; V70-L194 HydrophobicContact CG1-CD2 4.19Å; V70-L194 HydrophobicContact CG1-CG 3.73Å
71	V	97.8	Very high	97.1	Very high	27 Å²	27	51.2 Å²	51.2	16%	0.164	24%	0.243	C	C	.	.			trans	-102.9	166.2	166.3	-62.7	0	0	0	0	109.6	L60 M63 D73	L60-V71 HydrophobicContact CD2-CG1 4.43Å; L60-V71 HydrophobicContact CD2-CG2 3.69Å; M63-V71 HydrophobicContact CB-CG1 4.4Å; M63-V71 HydrophobicContact CG-CG1 3.97Å; V71-D73 PolarHBondContact O-N 3.35Å
72	G	97.5	Very high	97.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	23%	0.234	C	C	.	.			trans	-60.3	131.1	175.5	0	0	0	0	0	111.5
73	D	98	Very high	97.4	Very high	48 Å²	48	48.6 Å²	48.6	26%	0.257	23%	0.228	S	C	.	.			trans	-103.2	178.9	-179.6	74.5	-18.9	0	0	0	111.8	V71 A75 Y76 L77	V71-D73 PolarHBondContact O-N 3.35Å; D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 3.16Å; D73-A75 PolarHBondContact OD1-N 3Å; D73-Y76 PolarHBondContact O-N 2.75Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.28Å; D73-Y76 PolarHBondContact OD1-N 3.16Å; D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 2.97Å; D73-L77 VanDerWaalsContact O-N 3.08Å
74	S	98.1	Very high	97.5	Very high	45 Å²	45	48.5 Å²	48.5	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-30.7	179.8	60.2	0	0	0	0	112.4	L77 R78 N106	S74-L77 PolarHBondContact O-N 3.09Å; S74-R78 VanDerWaalsContact O-CB 3.27Å; S74-R78 WeakPolarHBondContact O-CB 3.37Å; S74-R78 PolarHBondContact O-N 3.1Å; S74-N106 WeakPolarHBondContact CB-O 3Å
75	A	98.5	Very high	97.6	Very high	24 Å²	24	49.1 Å²	49.1	20%	0.198	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-41.5	177.2	0	0	0	0	0	111.9	D73 Q79	D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 3.16Å; D73-A75 PolarHBondContact OD1-N 3Å; A75-Q79 WeakPolarHBondContact O-CB 3.48Å; A75-Q79 VanDerWaalsContact O-CG 3.28Å; A75-Q79 WeakPolarHBondContact O-CG 3.26Å; A75-Q79 PolarHBondContact O-N 3.41Å; A75-Q79 PolarHBondContact O-NE2 2.87Å; A75-Q79 VanDerWaalsContact O-NE2 3.1Å
76	Y	98.8	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-51.5	170.9	165.8	-102.9	0	0	0	111.2	D73 R78 Q79 A80 I139 M140 T141 V158 Y159 L160 I187	D73-Y76 PolarHBondContact O-N 2.75Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.28Å; D73-Y76 PolarHBondContact OD1-N 3.16Å; Y76-R78 VanDerWaalsContact C-N 3.32Å; Y76-R78 PolarHBondContact O-N 2.72Å; Y76-Q79 PolarHBondContact O-N 3.11Å; Y76-A80 WeakPolarHBondContact O-CB 3.23Å; Y76-A80 PolarHBondContact O-N 3.34Å; Y76-I139 HydrophobicContact CE1-CG2 4.24Å; Y76-M140 PolarHBondContact OH-O 2.89Å; Y76-T141 HydrophobicContact CD1-CG2 4.26Å; Y76-T141 HydrophobicContact CE1-CG2 3.82Å; Y76-V158 HydrophobicContact CE2-CG1 4.44Å; Y76-V158 PolarHBondContact OH-O 2.88Å; Y76-Y159 WeakPolarHBondContact OH-CA 3.32Å; Y76-L160 HydrophobicContact CD1-CD1 3.94Å; Y76-L160 HydrophobicContact CD2-CB 4.46Å; Y76-L160 HydrophobicContact CD2-CD1 3.34Å; Y76-L160 HydrophobicContact CD2-CG 4.5Å; Y76-L160 HydrophobicContact CE1-CB 4.26Å; Y76-L160 HydrophobicContact CE1-CD1 4.3Å; Y76-L160 HydrophobicContact CE2-CB 3.98Å; Y76-L160 HydrophobicContact CE2-CD1 3.74Å; Y76-L160 HydrophobicContact CE2-CG 4.49Å; Y76-L160 HydrophobicContact CG-CD1 3.45Å; Y76-L160 VanDerWaalsContact CG-CD1 3.45Å; Y76-L160 PolarHBondContact OH-N 3.09Å; Y76-L160 VanDerWaalsContact OH-N 3.09Å; Y76-I187 HydrophobicContact CD2-CB 3.86Å; Y76-I187 HydrophobicContact CD2-CG2 3.87Å; Y76-I187 HydrophobicContact CE2-CB 3.8Å; Y76-I187 HydrophobicContact CE2-CG2 4.34Å
77	L	98.8	Very high	98	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-43	-177.2	-69.4	174.3	0	0	0	111.7	V52 V54 D73 S74 A80 M81 W102 I107 I139 T141	V52-L77 HydrophobicContact CG1-CD2 4.24Å; V54-L77 HydrophobicContact CG1-CD1 4.42Å; V54-L77 HydrophobicContact CG2-CD1 4.06Å; V54-L77 HydrophobicContact CG2-CD2 3.96Å; D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 2.97Å; D73-L77 VanDerWaalsContact O-N 3.08Å; S74-L77 PolarHBondContact O-N 3.09Å; L77-A80 PolarHBondContact O-N 2.89Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 VanDerWaalsContact O-CG 3.24Å; L77-M81 WeakPolarHBondContact O-CG 3.44Å; L77-M81 PolarHBondContact O-N 3.47Å; L77-W102 HydrophobicContact CD1-CH2 4.08Å; L77-W102 HydrophobicContact CD1-CZ3 3.74Å; L77-I107 HydrophobicContact CD1-CD1 4.03Å; L77-I107 HydrophobicContact CD1-CG1 3.92Å; L77-I139 HydrophobicContact CD2-CG2 4.45Å; L77-T141 HydrophobicContact CD2-CG2 4.35Å
78	R	98.7	Very high	98	Very high	136 Å²	136	43.4 Å²	43.4	51%	0.513	22%	0.215	S	C	.	.	H	α-helix	trans	-59.5	-50.7	174	174.6	170.2	40.9	111	2	112	S74 Y76 A80 M81 D82	S74-R78 VanDerWaalsContact O-CB 3.27Å; S74-R78 WeakPolarHBondContact O-CB 3.37Å; S74-R78 PolarHBondContact O-N 3.1Å; Y76-R78 VanDerWaalsContact C-N 3.32Å; Y76-R78 PolarHBondContact O-N 2.72Å; R78-A80 VanDerWaalsContact C-N 3.31Å; R78-A80 PolarHBondContact O-N 2.89Å; R78-M81 PolarHBondContact O-N 3.3Å; R78-D82 WeakPolarHBondContact O-CB 3.41Å; R78-D82 PolarHBondContact O-N 2.79Å
79	Q	98.8	Very high	97.8	Very high	98 Å²	98	48.1 Å²	48.1	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-41.4	178.1	-74.6	173.2	77.8	0	0	112.4	A75 Y76 W83 I187	A75-Q79 WeakPolarHBondContact O-CB 3.48Å; A75-Q79 VanDerWaalsContact O-CG 3.28Å; A75-Q79 WeakPolarHBondContact O-CG 3.26Å; A75-Q79 PolarHBondContact O-N 3.41Å; A75-Q79 PolarHBondContact O-NE2 2.87Å; A75-Q79 VanDerWaalsContact O-NE2 3.1Å; Y76-Q79 PolarHBondContact O-N 3.11Å; Q79-W83 WeakPolarHBondContact O-CB 3.3Å; Q79-W83 PolarHBondContact O-N 2.91Å; Q79-I187 HydrophobicContact CB-CD1 4.05Å; Q79-I187 HydrophobicContact CB-CG2 4.47Å
80	A	98.8	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-44.6	177.8	0	0	0	0	0	111.8	Y76 L77 R78 W83 F84 I139 V158 I187	Y76-A80 WeakPolarHBondContact O-CB 3.23Å; Y76-A80 PolarHBondContact O-N 3.34Å; L77-A80 PolarHBondContact O-N 2.89Å; R78-A80 VanDerWaalsContact C-N 3.31Å; R78-A80 PolarHBondContact O-N 2.89Å; A80-W83 WeakPolarHBondContact O-CB 2.95Å; A80-W83 PolarHBondContact O-N 3.48Å; A80-F84 WeakPolarHBondContact O-CD2 3.17Å; A80-F84 PolarHBondContact O-N 3.34Å; A80-I139 HydrophobicContact CB-CD1 3.84Å; A80-I139 HydrophobicContact CB-CG1 4.05Å; A80-I139 HydrophobicContact CB-CG2 3.72Å; A80-V158 HydrophobicContact CB-CB 4.32Å; A80-V158 HydrophobicContact CB-CG1 3.66Å; A80-I187 HydrophobicContact CB-CD1 4.12Å
81	M	98.8	Very high	97.6	Very high	3 Å²	3	50 Å²	50	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176	-70.3	178.7	179.7	0	0	111.7	V52 L77 R78 W83 F84 R85 F93 I107 V114 I139	V52-M81 HydrophobicContact CG1-CE 4.15Å; V52-M81 HydrophobicContact CG2-CE 4.23Å; L77-M81 WeakPolarHBondContact O-CB 3.36Å; L77-M81 VanDerWaalsContact O-CG 3.24Å; L77-M81 WeakPolarHBondContact O-CG 3.44Å; L77-M81 PolarHBondContact O-N 3.47Å; R78-M81 PolarHBondContact O-N 3.3Å; M81-W83 VanDerWaalsContact C-N 3.27Å; M81-W83 PolarHBondContact O-N 3.09Å; M81-F84 PolarHBondContact O-N 2.62Å; M81-F84 VanDerWaalsContact O-N 3.13Å; M81-R85 WeakPolarHBondContact O-CG 3.44Å; M81-R85 PolarHBondContact O-N 3.15Å; M81-F93 HydrophobicContact CB-CD1 4.45Å; M81-F93 HydrophobicContact CB-CE1 3.93Å; M81-F93 HydrophobicContact CB-CE2 4.23Å; M81-F93 HydrophobicContact CB-CZ 3.81Å; M81-F93 HydrophobicContact CE-CB 4.4Å; M81-F93 HydrophobicContact CE-CG 4.46Å; M81-F93 HydrophobicContact CG-CD1 3.83Å; M81-F93 HydrophobicContact CG-CD2 4.47Å; M81-F93 HydrophobicContact CG-CE1 3.79Å; M81-F93 HydrophobicContact CG-CE2 4.43Å; M81-F93 HydrophobicContact CG-CG 4.19Å; M81-F93 HydrophobicContact CG-CZ 4.1Å; M81-F93 WeakPolarHBondContact O-CZ 3.39Å; M81-F93 HydrophobicContact SD-CG 4.42Å; M81-I107 HydrophobicContact CE-CD1 4.01Å; M81-I107 HydrophobicContact CE-CG1 4.45Å; M81-I107 HydrophobicContact CE-CG2 3.66Å; M81-I107 HydrophobicContact SD-CG2 3.94Å; M81-V114 HydrophobicContact SD-CG2 4.45Å; M81-I139 HydrophobicContact CB-CD1 4.48Å; M81-I139 HydrophobicContact CG-CD1 3.79Å
82	D	98.6	Very high	97.6	Very high	73 Å²	73	49 Å²	49	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-33.7	178.1	-67.7	-17.8	0	0	0	112	R78 F84 R85 A86	R78-D82 WeakPolarHBondContact O-CB 3.41Å; R78-D82 PolarHBondContact O-N 2.79Å; D82-F84 VanDerWaalsContact C-N 3.3Å; D82-F84 PolarHBondContact O-N 3.48Å; D82-R85 PolarHBondContact O-N 3.49Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NH1 3.51Å; D82-R85 PolarHBondContact OD1-NH1 3.42Å; D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.18Å
83	W	98.7	Very high	97.7	Very high	45 Å²	45	49 Å²	49	17%	0.17	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-42	173.2	-174.3	99.6	0	0	0	112.2	Q79 A80 M81 R87 D156 V158 V185	Q79-W83 WeakPolarHBondContact O-CB 3.3Å; Q79-W83 PolarHBondContact O-N 2.91Å; A80-W83 WeakPolarHBondContact O-CB 2.95Å; A80-W83 PolarHBondContact O-N 3.48Å; M81-W83 VanDerWaalsContact C-N 3.27Å; M81-W83 PolarHBondContact O-N 3.09Å; W83-R87 VanDerWaalsContact CE2-NE 3.27Å; W83-R87 VanDerWaalsContact CH2-CD 3.44Å; W83-R87 VanDerWaalsContact CZ2-CD 3.45Å; W83-R87 VanDerWaalsContact NE1-CZ 3.25Å; W83-R87 WeakPolarHBondContact O-CD 3.44Å; W83-R87 PolarHBondContact O-NH1 3.5Å; W83-D156 HydrophobicContact CH2-CB 3.81Å; W83-D156 HydrophobicContact CZ3-CB 3.9Å; W83-V158 HydrophobicContact CD2-CG2 3.92Å; W83-V158 HydrophobicContact CE3-CG2 3.77Å; W83-V158 HydrophobicContact CG-CG2 4.31Å; W83-V158 HydrophobicContact CZ3-CG2 4.3Å; W83-V185 HydrophobicContact CH2-CG2 4.45Å; W83-V185 HydrophobicContact CZ2-CG2 3.74Å
84	F	98.6	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.4	-42	176.4	-79.6	-75.3	0	0	0	112.3	V50 A80 M81 D82 A86 R87 H88 F93 H137 I139 D156 V158	V50-F84 HydrophobicContact CG1-CD1 4.31Å; V50-F84 HydrophobicContact CG1-CD2 3.85Å; V50-F84 HydrophobicContact CG1-CE1 4.34Å; V50-F84 HydrophobicContact CG1-CE2 3.86Å; V50-F84 HydrophobicContact CG1-CG 4.09Å; V50-F84 HydrophobicContact CG1-CZ 4.12Å; V50-F84 HydrophobicContact CG2-CB 4.25Å; V50-F84 HydrophobicContact CG2-CD1 3.91Å; V50-F84 HydrophobicContact CG2-CE1 4.46Å; V50-F84 HydrophobicContact CG2-CG 3.99Å; A80-F84 WeakPolarHBondContact O-CD2 3.17Å; A80-F84 PolarHBondContact O-N 3.34Å; M81-F84 PolarHBondContact O-N 2.62Å; M81-F84 VanDerWaalsContact O-N 3.13Å; D82-F84 VanDerWaalsContact C-N 3.3Å; D82-F84 PolarHBondContact O-N 3.48Å; F84-A86 PolarHBondContact O-N 3.18Å; F84-R87 PolarHBondContact O-N 3.08Å; F84-H88 AromaticContact CD1-CD2 3.61Å; F84-H88 AromaticContact CD1-NE2 3.69Å; F84-H88 PolarHBondContact O-CD2 2.95Å; F84-H88 PolarHBondContact O-N 3.39Å; F84-F93 HydrophobicContact CB-CE1 3.94Å; F84-F93 HydrophobicContact CB-CZ 3.97Å; F84-F93 HydrophobicContact CD2-CE1 4.43Å; F84-F93 HydrophobicContact CG-CE1 4.44Å; F84-H137 HydrophobicContact CD1-CB 4.1Å; F84-H137 HydrophobicContact CE1-CB 3.31Å; F84-H137 AromaticContact CE1-CG 3.57Å; F84-H137 HydrophobicContact CZ-CB 3.78Å; F84-I139 HydrophobicContact CD2-CD1 3.85Å; F84-I139 HydrophobicContact CD2-CG1 3.74Å; F84-I139 HydrophobicContact CE2-CD1 4.11Å; F84-I139 HydrophobicContact CE2-CG1 3.44Å; F84-I139 VanDerWaalsContact CE2-CG1 3.44Å; F84-D156 HydrophobicContact CE1-CB 3.96Å; F84-D156 HydrophobicContact CZ-CB 4.31Å; F84-V158 HydrophobicContact CD2-CG2 4.3Å; F84-V158 HydrophobicContact CE2-CB 4.07Å; F84-V158 HydrophobicContact CE2-CG2 3.54Å; F84-V158 HydrophobicContact CZ-CG2 4.05Å
85	R	97.6	Very high	97.7	Very high	56 Å²	56	44.5 Å²	44.5	21%	0.211	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-32.6	175.2	-71.1	168.7	176.5	148.6	-1.8	112.4	M81 D82 R87 P91 F93 D113	M81-R85 WeakPolarHBondContact O-CG 3.44Å; M81-R85 PolarHBondContact O-N 3.15Å; D82-R85 PolarHBondContact O-N 3.49Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NH1 3.51Å; D82-R85 PolarHBondContact OD1-NH1 3.42Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 2.82Å; R85-P91 HydrophobicContact CG-CG 4.18Å; R85-F93 HydrophobicContact CG-CE2 3.99Å; R85-F93 HydrophobicContact CG-CZ 4.03Å; R85-D113 IonicContact CZ-OD1 2.86Å; R85-D113 IonicContact CZ-OD2 3.9Å; R85-D113 IonicContact NE-OD2 2.75Å; R85-D113 PolarHBondContact NE-OD2 2.89Å; R85-D113 IonicContact NH2-OD1 3.87Å; R85-D113 PolarHBondContact NH2-OD1 3.05Å; R85-D113 IonicContact NH2-OD2 3.35Å; R85-D113 PolarHBondContact NH2-OD2 3.01Å; R85-D113 VanDerWaalsContact NH2-OD2 3.08Å
86	A	98.1	Very high	97.7	Very high	79 Å²	79	43.4 Å²	43.4	65%	0.653	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.8	176.7	0	0	0	0	0	114.3	D82 F84	D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.18Å; F84-A86 PolarHBondContact O-N 3.18Å
87	R	97.6	Very high	97.6	Very high	137 Å²	137	43.3 Å²	43.3	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-22.2	-170.6	-74.9	170.2	177.2	69.6	3.9	114.3	W83 F84 R85	W83-R87 VanDerWaalsContact CE2-NE 3.27Å; W83-R87 VanDerWaalsContact CH2-CD 3.44Å; W83-R87 VanDerWaalsContact CZ2-CD 3.45Å; W83-R87 VanDerWaalsContact NE1-CZ 3.25Å; W83-R87 WeakPolarHBondContact O-CD 3.44Å; W83-R87 PolarHBondContact O-NH1 3.5Å; F84-R87 PolarHBondContact O-N 3.08Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 2.82Å
88	H	95.8	Very high	97.5	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.171	22%	0.218	C	C	.	.	S	Bend	trans	-124.1	141.2	-178.8	-55.2	-80.9	0	0	0	109.7	T48 F84 A90 P91 H137 D156	T48-H88 HydrophobicContact CG2-CB 3.97Å; F84-H88 AromaticContact CD1-CD2 3.61Å; F84-H88 AromaticContact CD1-NE2 3.69Å; F84-H88 PolarHBondContact O-CD2 2.95Å; F84-H88 PolarHBondContact O-N 3.39Å; H88-A90 PolarHBondContact O-N 2.83Å; H88-P91 HydrophobicContact CB-CB 4.3Å; H88-P91 WeakPolarHBondContact O-CD 3.34Å; H88-H137 AromaticContact CE1-CD2 3.83Å; H88-H137 AromaticContact CE1-CE1 3.49Å; H88-H137 PolarHBondContact CE1-CE1 3Å; H88-H137 VanDerWaalsContact CE1-CE1 3.49Å; H88-H137 AromaticContact CE1-NE2 3.11Å; H88-H137 PolarHBondContact CE1-NE2 2.86Å; H88-H137 AromaticContact ND1-NE2 3.59Å; H88-H137 AromaticContact NE2-CD2 3.94Å; H88-H137 AromaticContact NE2-CE1 3.9Å; H88-H137 AromaticContact NE2-NE2 3.64Å; H88-D156 IonicContact CE1-OD2 2.7Å; H88-D156 IonicContact NE2-OD2 3.18Å
89	E	92.8	Very high	97.4	Very high	184 Å²	184	39 Å²	39	86%	0.86	20%	0.203	S	C	*	.	S	Bend	trans	-74	120	173.4	-173.1	179.1	-178.1	0	0	109.2
90	A	93.4	Very high	97.3	Very high	49 Å²	49	35.3 Å²	35.3	41%	0.405	19%	0.186	S	C	.	.	S	Bend	trans	47.2	56.7	175.5	0	0	0	0	0	114.6	L39 H88	L39-A90 HydrophobicContact CD1-CB 3.81Å; L39-A90 HydrophobicContact CD2-CB 4.06Å; H88-A90 PolarHBondContact O-N 2.83Å
91	P	96.6	Very high	97.3	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	21%	0.211	C	C	.	.			trans	-65.7	147	175.7	30.5	-34.8	0	0	0	110.2	T48 V50 R85 H88 F93 D113	T48-P91 HydrophobicContact CG2-CB 4.22Å; T48-P91 WeakPolarHBondContact O-CA 3.09Å; V50-P91 HydrophobicContact CG2-CB 4.02Å; R85-P91 HydrophobicContact CG-CG 4.18Å; H88-P91 HydrophobicContact CB-CB 4.3Å; H88-P91 WeakPolarHBondContact O-CD 3.34Å; P91-F93 HydrophobicContact CB-CE2 4.5Å; P91-F93 HydrophobicContact CB-CZ 4.34Å; P91-F93 HydrophobicContact CG-CE2 4.06Å; P91-F93 HydrophobicContact CG-CZ 3.99Å; P91-D113 WeakPolarHBondContact O-CB 3.41Å
92	V	97.6	Very high	97.2	Very high	6 Å²	6	43 Å²	43	4%	0.036	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.9	169.8	171	0	0	0	0	109.9	L37 L39 P46 T48 F49 V50 D113	L37-V92 HydrophobicContact CD1-CG1 4.07Å; L39-V92 HydrophobicContact CD2-CG2 3.68Å; P46-V92 HydrophobicContact CB-CB 4.16Å; P46-V92 HydrophobicContact CB-CG2 3.66Å; P46-V92 HydrophobicContact CG-CB 4.27Å; P46-V92 HydrophobicContact CG-CG2 3.53Å; T48-V92 PolarHBondContact O-N 3.31Å; F49-V92 WeakPolarHBondContact CA-O 3.18Å; F49-V92 HydrophobicContact CD1-CB 4.15Å; F49-V92 HydrophobicContact CD1-CG1 4.24Å; F49-V92 HydrophobicContact CE1-CB 4.36Å; F49-V92 HydrophobicContact CE1-CG1 4.37Å; V50-V92 PolarHBondContact N-O 3.14Å; V92-D113 CarbonylContact C-O 3.57Å; V92-D113 WeakPolarHBondContact CA-O 3.3Å
93	F	98.4	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.7	-179.3	-61.2	-80	0	0	0	110.4	V50 V52 M81 F84 R85 P91 D113 V114 T115 I139	V50-F93 HydrophobicContact CB-CD1 3.69Å; V50-F93 HydrophobicContact CB-CE1 3.87Å; V50-F93 HydrophobicContact CG1-CD1 3.94Å; V50-F93 HydrophobicContact CG1-CE1 3.98Å; V50-F93 HydrophobicContact CG2-CD1 4.26Å; V50-F93 HydrophobicContact CG2-CE1 4Å; V50-F93 CarbonylContact O-C 3.56Å; V50-F93 WeakPolarHBondContact O-CA 3.18Å; V52-F93 HydrophobicContact CG2-CB 3.95Å; V52-F93 HydrophobicContact CG2-CD1 3.87Å; V52-F93 HydrophobicContact CG2-CG 4.39Å; M81-F93 HydrophobicContact CB-CD1 4.45Å; M81-F93 HydrophobicContact CB-CE1 3.93Å; M81-F93 HydrophobicContact CB-CE2 4.23Å; M81-F93 HydrophobicContact CB-CZ 3.81Å; M81-F93 HydrophobicContact CE-CB 4.4Å; M81-F93 HydrophobicContact CE-CG 4.46Å; M81-F93 HydrophobicContact CG-CD1 3.83Å; M81-F93 HydrophobicContact CG-CD2 4.47Å; M81-F93 HydrophobicContact CG-CE1 3.79Å; M81-F93 HydrophobicContact CG-CE2 4.43Å; M81-F93 HydrophobicContact CG-CG 4.19Å; M81-F93 HydrophobicContact CG-CZ 4.1Å; M81-F93 WeakPolarHBondContact O-CZ 3.39Å; M81-F93 HydrophobicContact SD-CG 4.42Å; F84-F93 HydrophobicContact CB-CE1 3.94Å; F84-F93 HydrophobicContact CB-CZ 3.97Å; F84-F93 HydrophobicContact CD2-CE1 4.43Å; F84-F93 HydrophobicContact CG-CE1 4.44Å; R85-F93 HydrophobicContact CG-CE2 3.99Å; R85-F93 HydrophobicContact CG-CZ 4.03Å; P91-F93 HydrophobicContact CB-CE2 4.5Å; P91-F93 HydrophobicContact CB-CZ 4.34Å; P91-F93 HydrophobicContact CG-CE2 4.06Å; P91-F93 HydrophobicContact CG-CZ 3.99Å; F93-D113 HydrophobicContact CD2-CB 4.36Å; F93-D113 WeakPolarHBondContact CE2-OD2 3.27Å; F93-D113 PolarHBondContact N-O 2.93Å; F93-V114 HydrophobicContact CB-CG2 4.33Å; F93-V114 HydrophobicContact CD2-CG2 4.4Å; F93-T115 PolarHBondContact O-N 3.46Å; F93-I139 HydrophobicContact CD1-CD1 4.06Å; F93-I139 HydrophobicContact CE1-CD1 3.93Å
94	V	98.3	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	99.9	-179.3	-176.9	0	0	0	0	108.4	L34 L37 F49 V50 V52 A117 L131	L34-V94 HydrophobicContact CD2-CG1 4.13Å; L34-V94 HydrophobicContact CD2-CG2 3.67Å; L37-V94 HydrophobicContact CD1-CG2 4.42Å; F49-V94 HydrophobicContact CD1-CG2 3.97Å; V50-V94 PolarHBondContact O-N 2.65Å; V52-V94 PolarHBondContact N-O 3.21Å; V94-A117 HydrophobicContact CG1-CB 3.66Å; V94-L131 HydrophobicContact CG1-CB 4.42Å
95	V	98.6	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.2	-171.6	-174.3	0	0	0	0	111.3	V52 V54 M100 C103 I107 V114 T115 F116 A117 G118	V52-V95 HydrophobicContact CB-CG2 4.1Å; V52-V95 HydrophobicContact CG1-CG2 4.47Å; V52-V95 WeakPolarHBondContact O-CA 3.32Å; V54-V95 HydrophobicContact CG2-CG1 4.45Å; V95-M100 HydrophobicContact CG1-CE 4.47Å; V95-M100 HydrophobicContact CG1-SD 4.43Å; V95-M100 WeakPolarHBondContact O-CE 3.42Å; V95-C103 HydrophobicContact CG1-CB 4.23Å; V95-I107 HydrophobicContact CG1-CD1 4.02Å; V95-I107 HydrophobicContact CG2-CD1 4.1Å; V95-V114 HydrophobicContact CG2-CG1 3.77Å; V95-T115 PolarHBondContact N-O 3.15Å; V95-F116 HydrophobicContact CB-CD1 3.92Å; V95-F116 HydrophobicContact CB-CE1 4.45Å; V95-F116 HydrophobicContact CG1-CD1 4.02Å; V95-F116 HydrophobicContact CG1-CE1 4.38Å; V95-F116 HydrophobicContact CG2-CD1 4.27Å; V95-F116 HydrophobicContact CG2-CE1 4.39Å; V95-A117 PolarHBondContact O-N 2.86Å; V95-G118 PolarHBondContact O-N 3.42Å; V95-G118 VanDerWaalsContact O-N 3.11Å
96	T	98.3	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	169.3	64.9	0	0	0	0	109.9	V52 V54 D128 L131 L132	V52-T96 PolarHBondContact O-N 3.43Å; V54-T96 PolarHBondContact N-O 3.44Å; T96-D128 HydrophobicContact CG2-CB 4Å; T96-L131 HydrophobicContact CG2-CB 4.34Å; T96-L131 HydrophobicContact CG2-CD1 4.24Å; T96-L132 HydrophobicContact CG2-CD2 4.17Å; T96-L132 HydrophobicContact CG2-CG 4.17Å; T96-L132 WeakPolarHBondContact OG1-CD1 3.46Å
97	S	97.9	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	137.1	-172.2	-178.2	0	0	0	0	111.8	V54 G99 C103 G120	V54-S97 WeakPolarHBondContact O-CA 3.5Å; V54-S97 WeakPolarHBondContact O-CB 3.46Å; V54-S97 PolarHBondContact O-OG 3.22Å; S97-G99 PolarHBondContact O-N 3.02Å; S97-G99 VanDerWaalsContact OG-C 3.22Å; S97-G99 WeakPolarHBondContact OG-CA 3.37Å; S97-G99 PolarHBondContact OG-N 2.86Å; S97-G99 PolarHBondContact OG-O 3.48Å; S97-C103 WeakPolarHBondContact CB-SG 3.4Å; S97-C103 PolarHBondContact OG-SG 2.99Å; S97-G120 WeakPolarHBondContact O-CA 3.43Å
98	N	96.2	Very high	97.1	Very high	29 Å²	29	43.3 Å²	43.3	16%	0.155	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	10.7	165.1	72.6	-21.9	0	0	0	113.1	R55 R56 G57 E122	R55-N98 PolarHBondContact NH1-ND2 3.38Å; R56-N98 WeakPolarHBondContact CA-OD1 3.46Å; R56-N98 PolarHBondContact N-OD1 3.08Å; G57-N98 PolarHBondContact N-OD1 2.81Å; N98-E122 HydrophobicContact CB-CG 3.71Å; N98-E122 PolarHBondContact ND2-OE1 3.46Å
99	G	96.8	Very high	97.1	Very high	18 Å²	18	44.9 Å²	44.9	19%	0.186	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	57.7	169.8	0	0	0	0	0	110.1	S97 E101 W102 C103	S97-G99 PolarHBondContact O-N 3.02Å; S97-G99 VanDerWaalsContact OG-C 3.22Å; S97-G99 WeakPolarHBondContact OG-CA 3.37Å; S97-G99 PolarHBondContact OG-N 2.86Å; S97-G99 PolarHBondContact OG-O 3.48Å; G99-E101 PolarHBondContact O-N 3.34Å; G99-W102 PolarHBondContact O-N 2.96Å; G99-C103 PolarHBondContact O-N 3.33Å; G99-C103 PolarHBondContact O-SG 3.31Å; G99-C103 VanDerWaalsContact O-SG 3.34Å
100	M	97.2	Very high	97.1	Very high	20 Å²	20	40.5 Å²	40.5	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-37.7	-172.1	-173.2	55.4	75.8	0	0	113.5	V95 W102 C103 K104 F116 G118	V95-M100 HydrophobicContact CG1-CE 4.47Å; V95-M100 HydrophobicContact CG1-SD 4.43Å; V95-M100 WeakPolarHBondContact O-CE 3.42Å; M100-W102 VanDerWaalsContact C-N 3.34Å; M100-W102 PolarHBondContact O-N 3.27Å; M100-C103 WeakPolarHBondContact O-CA 3.47Å; M100-C103 WeakPolarHBondContact O-CB 3.03Å; M100-C103 PolarHBondContact O-N 3.11Å; M100-C103 HydrophobicContact SD-CB 4.2Å; M100-K104 PolarHBondContact O-N 3.43Å; M100-F116 HydrophobicContact SD-CB 3.84Å; M100-F116 HydrophobicContact SD-CD1 3.64Å; M100-F116 HydrophobicContact SD-CG 4.13Å; M100-G118 WeakPolarHBondContact CE-O 3.41Å
101	E	97.1	Very high	97	Very high	115 Å²	115	42.7 Å²	42.7	54%	0.537	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-43.9	177.5	-67.7	-51.4	126.7	0	0	112	G99 C103 K104 E105	G99-E101 PolarHBondContact O-N 3.34Å; E101-C103 PolarHBondContact O-N 3.26Å; E101-K104 PolarHBondContact O-N 3.46Å; E101-K104 VanDerWaalsContact O-N 3.16Å; E101-K104 IonicContact OE1-NZ 3.08Å; E101-K104 PolarHBondContact OE1-NZ 2.95Å; E101-K104 IonicContact OE2-NZ 2.65Å; E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.12Å; E101-E105 VanDerWaalsContact O-N 3.09Å
102	W	97.9	Very high	96.9	Very high	49 Å²	49	44.9 Å²	44.9	19%	0.186	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-37	174.1	-178.2	88.3	0	0	0	111.7	V54 R56 L77 G99 M100 E105 N106	V54-W102 HydrophobicContact CG1-CE3 4.45Å; V54-W102 HydrophobicContact CG1-CZ3 4.09Å; R56-W102 VanDerWaalsContact NE-CG 3.29Å; R56-W102 VanDerWaalsContact NH1-CZ2 3.34Å; L77-W102 HydrophobicContact CD1-CH2 4.08Å; L77-W102 HydrophobicContact CD1-CZ3 3.74Å; G99-W102 PolarHBondContact O-N 2.96Å; M100-W102 VanDerWaalsContact C-N 3.34Å; M100-W102 PolarHBondContact O-N 3.27Å; W102-E105 PolarHBondContact O-N 3.17Å; W102-N106 VanDerWaalsContact CD1-ND2 3.32Å; W102-N106 HydrophobicContact CD2-CB 4.13Å; W102-N106 HydrophobicContact CE3-CB 4.26Å; W102-N106 HydrophobicContact CH2-CB 4.01Å; W102-N106 HydrophobicContact CZ2-CB 3.84Å; W102-N106 HydrophobicContact CZ3-CB 4.21Å; W102-N106 PolarHBondContact NE1-ND2 2.92Å; W102-N106 VanDerWaalsContact O-CB 3.23Å; W102-N106 WeakPolarHBondContact O-CB 3.48Å; W102-N106 PolarHBondContact O-N 3.08Å; W102-N106 PolarHBondContact O-ND2 2.89Å
103	C	98.4	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-42.3	178.2	-58.1	0	0	0	0	111.5	V95 S97 G99 M100 E101 E105 N106 I107 F116	V95-C103 HydrophobicContact CG1-CB 4.23Å; S97-C103 WeakPolarHBondContact CB-SG 3.4Å; S97-C103 PolarHBondContact OG-SG 2.99Å; G99-C103 PolarHBondContact O-N 3.33Å; G99-C103 PolarHBondContact O-SG 3.31Å; G99-C103 VanDerWaalsContact O-SG 3.34Å; M100-C103 WeakPolarHBondContact O-CA 3.47Å; M100-C103 WeakPolarHBondContact O-CB 3.03Å; M100-C103 PolarHBondContact O-N 3.11Å; M100-C103 HydrophobicContact SD-CB 4.2Å; E101-C103 PolarHBondContact O-N 3.26Å; C103-E105 VanDerWaalsContact C-N 3.27Å; C103-E105 PolarHBondContact O-N 2.85Å; C103-N106 PolarHBondContact O-N 3.25Å; C103-I107 HydrophobicContact CB-CD1 3.94Å; C103-I107 VanDerWaalsContact O-CB 3.27Å; C103-I107 WeakPolarHBondContact O-CB 3.26Å; C103-I107 WeakPolarHBondContact O-CG1 3.39Å; C103-I107 PolarHBondContact O-N 3.21Å; C103-F116 HydrophobicContact CB-CD1 4.35Å; C103-F116 HydrophobicContact CB-CE1 4.02Å
104	K	98	Very high	96.7	Very high	99 Å²	99	46.5 Å²	46.5	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-61.4	-36	176.1	-67.4	172.3	-176.6	165.8	0	112.5	M100 E101 F116	M100-K104 PolarHBondContact O-N 3.43Å; E101-K104 PolarHBondContact O-N 3.46Å; E101-K104 VanDerWaalsContact O-N 3.16Å; E101-K104 IonicContact OE1-NZ 3.08Å; E101-K104 PolarHBondContact OE1-NZ 2.95Å; E101-K104 IonicContact OE2-NZ 2.65Å; K104-F116 HydrophobicContact CB-CZ 4.4Å; K104-F116 HydrophobicContact CG-CD1 4.1Å; K104-F116 HydrophobicContact CG-CD2 4.01Å; K104-F116 HydrophobicContact CG-CE1 4.18Å; K104-F116 HydrophobicContact CG-CE2 4.1Å; K104-F116 HydrophobicContact CG-CG 4.01Å; K104-F116 HydrophobicContact CG-CZ 4.2Å
105	E	98.2	Very high	96.6	Very high	147 Å²	147	48.2 Å²	48.2	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-76.5	-28.1	178.6	-69.5	171	176.6	0	0	113.5	E101 W102 C103	E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.12Å; E101-E105 VanDerWaalsContact O-N 3.09Å; W102-E105 PolarHBondContact O-N 3.17Å; C103-E105 VanDerWaalsContact C-N 3.27Å; C103-E105 PolarHBondContact O-N 2.85Å
106	N	98.2	Very high	96.5	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-116.9	-11	-165.1	-72.6	-94.4	0	0	0	115	S74 W102 C103	S74-N106 WeakPolarHBondContact CB-O 3Å; W102-N106 VanDerWaalsContact CD1-ND2 3.32Å; W102-N106 HydrophobicContact CD2-CB 4.13Å; W102-N106 HydrophobicContact CE3-CB 4.26Å; W102-N106 HydrophobicContact CH2-CB 4.01Å; W102-N106 HydrophobicContact CZ2-CB 3.84Å; W102-N106 HydrophobicContact CZ3-CB 4.21Å; W102-N106 PolarHBondContact NE1-ND2 2.92Å; W102-N106 VanDerWaalsContact O-CB 3.23Å; W102-N106 WeakPolarHBondContact O-CB 3.48Å; W102-N106 PolarHBondContact O-N 3.08Å; W102-N106 PolarHBondContact O-ND2 2.89Å; C103-N106 PolarHBondContact O-N 3.25Å
107	I	98.4	Very high	96.3	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.051	29%	0.289	C	S	.	.	S	Bend	trans	-96	125.7	175.4	-64.2	179	0	0	0	109.1	L77 M81 V95 C103 T109 V114 F116	L77-I107 HydrophobicContact CD1-CD1 4.03Å; L77-I107 HydrophobicContact CD1-CG1 3.92Å; M81-I107 HydrophobicContact CE-CD1 4.01Å; M81-I107 HydrophobicContact CE-CG1 4.45Å; M81-I107 HydrophobicContact CE-CG2 3.66Å; M81-I107 HydrophobicContact SD-CG2 3.94Å; V95-I107 HydrophobicContact CG1-CD1 4.02Å; V95-I107 HydrophobicContact CG2-CD1 4.1Å; C103-I107 HydrophobicContact CB-CD1 3.94Å; C103-I107 VanDerWaalsContact O-CB 3.27Å; C103-I107 WeakPolarHBondContact O-CB 3.26Å; C103-I107 WeakPolarHBondContact O-CG1 3.39Å; C103-I107 PolarHBondContact O-N 3.21Å; I107-T109 PolarHBondContact O-N 3.14Å; I107-V114 HydrophobicContact CG2-CG1 3.98Å; I107-V114 HydrophobicContact CG2-CG2 4.06Å; I107-F116 HydrophobicContact CB-CE1 4.33Å; I107-F116 HydrophobicContact CB-CZ 4.28Å; I107-F116 HydrophobicContact CD1-CE1 4.18Å
108	D	95.4	Very high	95.8	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	29%	0.294	S	S	.	.			trans	-70.7	117	175.4	179.8	13	0	0	0	111.1	S110	D108-S110 VanDerWaalsContact CG-OG 3.27Å; D108-S110 WeakPolarHBondContact OD1-CB 3.21Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.44Å; D108-S110 PolarHBondContact OD2-OG 3.04Å; D108-S110 VanDerWaalsContact OD2-OG 3.11Å
109	T	95.8	Very high	95.2	Very high	70 Å²	70	54.5 Å²	54.5	43%	0.429	30%	0.303	S	S	.	.			trans	-104	5	179.7	60.8	0	0	0	0	113.3	I107 Q111 G112 V114 F116	I107-T109 PolarHBondContact O-N 3.14Å; T109-Q111 PolarHBondContact O-N 3.31Å; T109-G112 PolarHBondContact O-N 2.98Å; T109-V114 HydrophobicContact CG2-CB 4.03Å; T109-V114 HydrophobicContact CG2-CG1 4.2Å; T109-F116 HydrophobicContact CG2-CE2 3.76Å; T109-F116 HydrophobicContact CG2-CZ 3.87Å
110	S	93.5	Very high	94.5	Very high	91 Å²	91	54.4 Å²	54.4	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.8	-175	63.7	0	0	0	0	114.3	D108 G112	D108-S110 VanDerWaalsContact CG-OG 3.27Å; D108-S110 WeakPolarHBondContact OD1-CB 3.21Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.44Å; D108-S110 PolarHBondContact OD2-OG 3.04Å; D108-S110 VanDerWaalsContact OD2-OG 3.11Å; S110-G112 VanDerWaalsContact C-N 3.33Å
111	Q	91.4	Very high	94.1	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.4	176.7	-62.5	-69	7.4	0	0	113.8	T109 D113	T109-Q111 PolarHBondContact O-N 3.31Å; Q111-D113 VanDerWaalsContact C-N 3.26Å; Q111-D113 WeakPolarHBondContact CB-OD1 3.5Å; Q111-D113 PolarHBondContact O-N 3.49Å
112	G	93	Very high	93.7	Very high	51 Å²	51	58.5 Å²	58.5	53%	0.526	32%	0.321	S	S	.	.	S	Bend	trans	69.3	21.6	-179.4	0	0	0	0	0	114.2	T109 S110	T109-G112 PolarHBondContact O-N 2.98Å; S110-G112 VanDerWaalsContact C-N 3.33Å
113	D	95.6	Very high	93.5	Very high	20 Å²	20	60 Å²	60	11%	0.107	34%	0.344	C	S	.	.			trans	-110.2	7.2	-175.4	63	-7.8	0	0	0	113.5	R85 P91 V92 F93 Q111	R85-D113 IonicContact CZ-OD1 2.86Å; R85-D113 IonicContact CZ-OD2 3.9Å; R85-D113 IonicContact NE-OD2 2.75Å; R85-D113 PolarHBondContact NE-OD2 2.89Å; R85-D113 IonicContact NH2-OD1 3.87Å; R85-D113 PolarHBondContact NH2-OD1 3.05Å; R85-D113 IonicContact NH2-OD2 3.35Å; R85-D113 PolarHBondContact NH2-OD2 3.01Å; R85-D113 VanDerWaalsContact NH2-OD2 3.08Å; P91-D113 WeakPolarHBondContact O-CB 3.41Å; V92-D113 CarbonylContact C-O 3.57Å; V92-D113 WeakPolarHBondContact CA-O 3.3Å; F93-D113 HydrophobicContact CD2-CB 4.36Å; F93-D113 WeakPolarHBondContact CE2-OD2 3.27Å; F93-D113 PolarHBondContact N-O 2.93Å; Q111-D113 VanDerWaalsContact C-N 3.26Å; Q111-D113 WeakPolarHBondContact CB-OD1 3.5Å; Q111-D113 PolarHBondContact O-N 3.49Å
114	V	97	Very high	93.1	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.127	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.3	-177.7	-179.8	0	0	0	0	110.8	M81 F93 V95 I107 T109 F116	M81-V114 HydrophobicContact SD-CG2 4.45Å; F93-V114 HydrophobicContact CB-CG2 4.33Å; F93-V114 HydrophobicContact CD2-CG2 4.4Å; V95-V114 HydrophobicContact CG2-CG1 3.77Å; I107-V114 HydrophobicContact CG2-CG1 3.98Å; I107-V114 HydrophobicContact CG2-CG2 4.06Å; T109-V114 HydrophobicContact CG2-CB 4.03Å; T109-V114 HydrophobicContact CG2-CG1 4.2Å; V114-F116 HydrophobicContact CG1-CE1 4.21Å; V114-F116 HydrophobicContact CG1-CE2 4.26Å; V114-F116 HydrophobicContact CG1-CZ 3.98Å
115	T	96.1	Very high	92.9	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.2	172.3	-59.8	0	0	0	0	109.9	L37 F93 V95 A117	L37-T115 HydrophobicContact CD1-CG2 4.32Å; L37-T115 HydrophobicContact CD2-CG2 3.8Å; F93-T115 PolarHBondContact O-N 3.46Å; V95-T115 PolarHBondContact N-O 3.15Å; T115-A117 HydrophobicContact CG2-CB 4.2Å; T115-A117 PolarHBondContact O-N 3.02Å
116	F	96.9	Very high	92.6	Very high	61 Å²	61	58.5 Å²	58.5	27%	0.268	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	93.6	170.8	-57.5	-75.7	0	0	0	109.4	V95 M100 C103 K104 I107 T109 V114	V95-F116 HydrophobicContact CB-CD1 3.92Å; V95-F116 HydrophobicContact CB-CE1 4.45Å; V95-F116 HydrophobicContact CG1-CD1 4.02Å; V95-F116 HydrophobicContact CG1-CE1 4.38Å; V95-F116 HydrophobicContact CG2-CD1 4.27Å; V95-F116 HydrophobicContact CG2-CE1 4.39Å; M100-F116 HydrophobicContact SD-CB 3.84Å; M100-F116 HydrophobicContact SD-CD1 3.64Å; M100-F116 HydrophobicContact SD-CG 4.13Å; C103-F116 HydrophobicContact CB-CD1 4.35Å; C103-F116 HydrophobicContact CB-CE1 4.02Å; K104-F116 HydrophobicContact CB-CZ 4.4Å; K104-F116 HydrophobicContact CG-CD1 4.1Å; K104-F116 HydrophobicContact CG-CD2 4.01Å; K104-F116 HydrophobicContact CG-CE1 4.18Å; K104-F116 HydrophobicContact CG-CE2 4.1Å; K104-F116 HydrophobicContact CG-CG 4.01Å; K104-F116 HydrophobicContact CG-CZ 4.2Å; I107-F116 HydrophobicContact CB-CE1 4.33Å; I107-F116 HydrophobicContact CB-CZ 4.28Å; I107-F116 HydrophobicContact CD1-CE1 4.18Å; T109-F116 HydrophobicContact CG2-CE2 3.76Å; T109-F116 HydrophobicContact CG2-CZ 3.87Å; V114-F116 HydrophobicContact CG1-CE1 4.21Å; V114-F116 HydrophobicContact CG1-CE2 4.26Å; V114-F116 HydrophobicContact CG1-CZ 3.98Å
117	A	93.3	Very high	92.4	Very high	27 Å²	27	59.3 Å²	59.3	22%	0.223	34%	0.34	C	S	.	.			trans	-100.2	-26	-168.9	0	0	0	0	0	113.8	V33 V94 V95 T115 L131	V33-A117 HydrophobicContact CG1-CB 4.42Å; V94-A117 HydrophobicContact CG1-CB 3.66Å; V95-A117 PolarHBondContact O-N 2.86Å; T115-A117 HydrophobicContact CG2-CB 4.2Å; T115-A117 PolarHBondContact O-N 3.02Å; A117-L131 HydrophobicContact CB-CD1 3.84Å; A117-L131 WeakPolarHBondContact O-CD1 3.31Å
118	G	87.1	Confident	92.2	Very high	10 Å²	10	59.3 Å²	59.3	10%	0.103	34%	0.34	C	S	.	.			trans	-73.3	147	179.8	0	0	0	0	0	113.4	V95 M100 G120 D128	V95-G118 PolarHBondContact O-N 3.42Å; V95-G118 VanDerWaalsContact O-N 3.11Å; M100-G118 WeakPolarHBondContact CE-O 3.41Å; G118-G120 VanDerWaalsContact C-N 3.3Å; G118-D128 WeakPolarHBondContact CA-OD1 3.33Å
119	D	83.5	Confident	92.2	Very high	63 Å²	63	57.1 Å²	57.1	34%	0.337	33%	0.326	S	S	.	.			trans	-85.2	-9.2	173.8	66.9	14.5	0	0	0	112.6	Q121 K127 D128	D119-Q121 HydrophobicContact CB-CG 4.21Å; D119-Q121 PolarHBondContact O-N 3.39Å; D119-Q121 VanDerWaalsContact O-N 3.16Å; D119-Q121 PolarHBondContact O-NE2 2.9Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.42Å; D119-Q121 PolarHBondContact OD1-N 3.43Å; D119-K127 WeakPolarHBondContact OD2-CD 3.38Å; D119-K127 IonicContact OD2-NZ 3.78Å; D119-D128 PolarHBondContact N-OD1 3.48Å
120	G	81.7	Confident	92.2	Very high	16 Å²	16	54 Å²	54	17%	0.165	31%	0.307	C	S	.	.			trans	64.9	11.9	179.1	0	0	0	0	0	114.1	S97 G118 E122	S97-G120 WeakPolarHBondContact O-CA 3.43Å; G118-G120 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 3.43Å
121	Q	89.7	Confident	92.4	Very high	114 Å²	114	50.2 Å²	50.2	53%	0.533	28%	0.28	S	S	.	.			trans	-83.9	107.7	-177.8	-60.4	-56.1	-47.4	0	0	110.2	D119 A123 T124	D119-Q121 HydrophobicContact CB-CG 4.21Å; D119-Q121 PolarHBondContact O-N 3.39Å; D119-Q121 VanDerWaalsContact O-N 3.16Å; D119-Q121 PolarHBondContact O-NE2 2.9Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.42Å; D119-Q121 PolarHBondContact OD1-N 3.43Å; Q121-A123 PolarHBondContact O-N 2.97Å; Q121-A123 VanDerWaalsContact O-N 3.09Å; Q121-T124 CarbonylContact O-C 3.53Å; Q121-T124 PolarHBondContact O-N 3.5Å
122	E	89.3	Confident	92.6	Very high	107 Å²	107	45.7 Å²	45.7	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.8	177.8	-64	-169.6	102.9	0	0	113.4	R55 N98 G120 T124 P125	R55-E122 IonicContact CZ-OE1 2.83Å; R55-E122 IonicContact NH1-OE1 2.73Å; R55-E122 PolarHBondContact NH1-OE1 2.99Å; R55-E122 IonicContact NH2-OE1 2.62Å; R55-E122 PolarHBondContact NH2-OE1 3.33Å; N98-E122 HydrophobicContact CB-CG 3.71Å; N98-E122 PolarHBondContact ND2-OE1 3.46Å; G120-E122 PolarHBondContact O-N 3.43Å; E122-T124 VanDerWaalsContact C-N 3.33Å; E122-P125 WeakPolarHBondContact O-CD 3.34Å
123	A	92.4	Very high	92.8	Very high	81 Å²	81	44.4 Å²	44.4	67%	0.669	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.3	173	0	0	0	0	0	113.4	Q121 W126	Q121-A123 PolarHBondContact O-N 2.97Å; Q121-A123 VanDerWaalsContact O-N 3.09Å; A123-W126 VanDerWaalsContact O-CH2 3.23Å; A123-W126 WeakPolarHBondContact O-CH2 3.42Å; A123-W126 WeakPolarHBondContact O-CZ3 3Å
124	T	91.7	Very high	92.7	Very high	30 Å²	30	46 Å²	46	18%	0.184	25%	0.253	C	S	.	.			trans	-128.6	52.7	179.8	55.5	0	0	0	0	112.2	Q121 E122 W126 K127	Q121-T124 CarbonylContact O-C 3.53Å; Q121-T124 PolarHBondContact O-N 3.5Å; E122-T124 VanDerWaalsContact C-N 3.33Å; T124-W126 HydrophobicContact CG2-CH2 3.83Å; T124-W126 HydrophobicContact CG2-CZ2 3.54Å; T124-W126 PolarHBondContact O-N 2.7Å; T124-W126 VanDerWaalsContact O-N 3.09Å; T124-K127 PolarHBondContact O-N 3.09Å; T124-K127 VanDerWaalsContact O-N 3.08Å
125	P	92.4	Very high	92.7	Very high	51 Å²	51	45.3 Å²	45.3	33%	0.331	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-20.9	-170.6	29.9	-37.3	0	0	0	113	E122 K127 D128 F129 F145	E122-P125 WeakPolarHBondContact O-CD 3.34Å; P125-K127 PolarHBondContact O-N 2.95Å; P125-D128 PolarHBondContact O-N 2.81Å; P125-F129 WeakPolarHBondContact O-CB 3.25Å; P125-F129 PolarHBondContact O-N 2.88Å; P125-F129 VanDerWaalsContact O-N 3.08Å; P125-F145 HydrophobicContact CB-CE2 3.92Å; P125-F145 WeakPolarHBondContact O-CE2 3.26Å; P125-F145 WeakPolarHBondContact O-CZ 3.41Å
126	W	92.8	Very high	92.8	Very high	133 Å²	133	46.9 Å²	46.9	50%	0.504	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-25.2	176.1	57	85	0	0	0	113.2	A123 T124 F129 A130	A123-W126 VanDerWaalsContact O-CH2 3.23Å; A123-W126 WeakPolarHBondContact O-CH2 3.42Å; A123-W126 WeakPolarHBondContact O-CZ3 3Å; T124-W126 HydrophobicContact CG2-CH2 3.83Å; T124-W126 HydrophobicContact CG2-CZ2 3.54Å; T124-W126 PolarHBondContact O-N 2.7Å; T124-W126 VanDerWaalsContact O-N 3.09Å; W126-F129 PolarHBondContact O-N 3.44Å; W126-A130 VanDerWaalsContact O-CB 3.27Å; W126-A130 WeakPolarHBondContact O-CB 3.04Å; W126-A130 PolarHBondContact O-N 2.88Å
127	K	93.2	Very high	92.9	Very high	71 Å²	71	45 Å²	45	31%	0.309	25%	0.247	S	C	.	.	H	α-helix	trans	-68.3	-50.3	176.7	-67.3	-176.7	178.1	-179.2	0	111.4	D119 T124 P125 F129 A130 L131	D119-K127 WeakPolarHBondContact OD2-CD 3.38Å; D119-K127 IonicContact OD2-NZ 3.78Å; T124-K127 PolarHBondContact O-N 3.09Å; T124-K127 VanDerWaalsContact O-N 3.08Å; P125-K127 PolarHBondContact O-N 2.95Å; K127-F129 VanDerWaalsContact C-N 3.26Å; K127-F129 PolarHBondContact O-N 3.18Å; K127-A130 WeakPolarHBondContact O-CB 3.44Å; K127-A130 PolarHBondContact O-N 3.08Å; K127-L131 PolarHBondContact O-N 3.49Å; K127-L131 VanDerWaalsContact O-N 3.15Å
128	D	95.1	Very high	93.2	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-40.6	173.9	-79.6	1.9	0	0	0	110.8	T96 G118 D119 P125 A130 L131 L132 F145	T96-D128 HydrophobicContact CG2-CB 4Å; G118-D128 WeakPolarHBondContact CA-OD1 3.33Å; D119-D128 PolarHBondContact N-OD1 3.48Å; P125-D128 PolarHBondContact O-N 2.81Å; D128-A130 VanDerWaalsContact C-N 3.33Å; D128-A130 PolarHBondContact O-N 3.38Å; D128-L131 PolarHBondContact O-N 2.82Å; D128-L132 WeakPolarHBondContact O-CG 3.43Å; D128-L132 PolarHBondContact O-N 3.11Å; D128-L132 VanDerWaalsContact O-N 3.14Å; D128-F145 HydrophobicContact CB-CE1 4.42Å; D128-F145 HydrophobicContact CB-CZ 3.96Å
129	F	95.1	Very high	93.7	Very high	41 Å²	41	43.2 Å²	43.2	18%	0.18	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-36.8	178	-152	-96	0	0	0	112.4	P125 W126 K127 L131 L132 T133 F145 W148 A149 L152	P125-F129 WeakPolarHBondContact O-CB 3.25Å; P125-F129 PolarHBondContact O-N 2.88Å; P125-F129 VanDerWaalsContact O-N 3.08Å; W126-F129 PolarHBondContact O-N 3.44Å; K127-F129 VanDerWaalsContact C-N 3.26Å; K127-F129 PolarHBondContact O-N 3.18Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.07Å; F129-L132 PolarHBondContact O-N 3.04Å; F129-T133 HydrophobicContact CD1-CG2 3.61Å; F129-T133 HydrophobicContact CE1-CG2 3.38Å; F129-T133 HydrophobicContact CG-CG2 4.4Å; F129-T133 HydrophobicContact CZ-CG2 4Å; F129-T133 WeakPolarHBondContact O-CG2 3.26Å; F129-T133 PolarHBondContact O-N 3.22Å; F129-T133 PolarHBondContact O-OG1 3.2Å; F129-F145 HydrophobicContact CB-CE2 4.18Å; F129-F145 HydrophobicContact CB-CZ 3.88Å; F129-F145 HydrophobicContact CD2-CD1 4.38Å; F129-F145 HydrophobicContact CD2-CD2 4.12Å; F129-F145 HydrophobicContact CD2-CE1 4.01Å; F129-F145 AromaticContact CD2-CE2 3.67Å; F129-F145 HydrophobicContact CD2-CE2 3.67Å; F129-F145 HydrophobicContact CD2-CG 4.47Å; F129-F145 AromaticContact CD2-CZ 3.64Å; F129-F145 HydrophobicContact CD2-CZ 3.64Å; F129-F145 HydrophobicContact CG-CE2 4.39Å; F129-F145 HydrophobicContact CG-CZ 4.27Å; F129-W148 HydrophobicContact CE2-CB 4.05Å; F129-W148 HydrophobicContact CZ-CB 3.89Å; F129-A149 HydrophobicContact CD2-CB 4.28Å; F129-A149 HydrophobicContact CE2-CB 3.9Å; F129-A149 HydrophobicContact CZ-CB 4.44Å; F129-L152 HydrophobicContact CE1-CD1 3.68Å; F129-L152 HydrophobicContact CZ-CD1 3.82Å
130	A	95.8	Very high	94.4	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-28	175.9	0	0	0	0	0	112.8	L22 L26 A30 W126 K127 D128 P134	L22-A130 HydrophobicContact CD1-CB 3.9Å; L22-A130 HydrophobicContact CD2-CB 4.04Å; L26-A130 HydrophobicContact CB-CB 4.15Å; A30-A130 HydrophobicContact CB-CB 4.22Å; A30-A130 WeakPolarHBondContact CB-O 3.47Å; W126-A130 VanDerWaalsContact O-CB 3.27Å; W126-A130 WeakPolarHBondContact O-CB 3.04Å; W126-A130 PolarHBondContact O-N 2.88Å; K127-A130 WeakPolarHBondContact O-CB 3.44Å; K127-A130 PolarHBondContact O-N 3.08Å; D128-A130 VanDerWaalsContact C-N 3.33Å; D128-A130 PolarHBondContact O-N 3.38Å; A130-P134 WeakPolarHBondContact O-CD 3.17Å; A130-P134 WeakPolarHBondContact O-CG 3.22Å
131	L	96.4	Very high	95.2	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-75.4	-36.3	172.7	-67.9	167.8	0	0	0	112.6	A30 V33 V94 T96 A117 K127 D128 F129 C135	A30-L131 HydrophobicContact CB-CD2 4.31Å; V33-L131 HydrophobicContact CB-CD2 3.96Å; V33-L131 HydrophobicContact CG1-CD2 3.92Å; V33-L131 HydrophobicContact CG2-CD2 4.31Å; V94-L131 HydrophobicContact CG1-CB 4.42Å; T96-L131 HydrophobicContact CG2-CB 4.34Å; T96-L131 HydrophobicContact CG2-CD1 4.24Å; A117-L131 HydrophobicContact CB-CD1 3.84Å; A117-L131 WeakPolarHBondContact O-CD1 3.31Å; K127-L131 PolarHBondContact O-N 3.49Å; K127-L131 VanDerWaalsContact O-N 3.15Å; D128-L131 PolarHBondContact O-N 2.82Å; F129-L131 VanDerWaalsContact C-N 3.3Å; F129-L131 PolarHBondContact O-N 3.07Å; L131-C135 PolarHBondContact O-SG 3.08Å
132	L	97.3	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-79.8	-46.6	-174.8	-66.9	172.7	0	0	0	113.2	H53 T96 D128 F129 P134 C135 F145 A149	H53-L132 HydrophobicContact CB-CD1 3.93Å; T96-L132 HydrophobicContact CG2-CD2 4.17Å; T96-L132 HydrophobicContact CG2-CG 4.17Å; T96-L132 WeakPolarHBondContact OG1-CD1 3.46Å; D128-L132 WeakPolarHBondContact O-CG 3.43Å; D128-L132 PolarHBondContact O-N 3.11Å; D128-L132 VanDerWaalsContact O-N 3.14Å; F129-L132 PolarHBondContact O-N 3.04Å; L132-P134 VanDerWaalsContact C-CD 3.47Å; L132-C135 WeakPolarHBondContact O-CB 3.35Å; L132-C135 PolarHBondContact O-N 3.33Å; L132-F145 HydrophobicContact CD1-CD1 4.45Å; L132-F145 HydrophobicContact CD1-CE1 3.74Å; L132-A149 HydrophobicContact CB-CB 3.93Å; L132-A149 HydrophobicContact CD1-CB 3.71Å; L132-A149 HydrophobicContact CG-CB 4.49Å
133	T	95.9	Very high	95.5	Very high	24 Å²	24	30 Å²	30	15%	0.147	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.5	-172.5	50.2	0	0	0	0	116	F129 C135 L152 A153	F129-T133 HydrophobicContact CD1-CG2 3.61Å; F129-T133 HydrophobicContact CE1-CG2 3.38Å; F129-T133 HydrophobicContact CG-CG2 4.4Å; F129-T133 HydrophobicContact CZ-CG2 4Å; F129-T133 WeakPolarHBondContact O-CG2 3.26Å; F129-T133 PolarHBondContact O-N 3.22Å; F129-T133 PolarHBondContact O-OG1 3.2Å; T133-C135 VanDerWaalsContact C-N 3.32Å; T133-L152 HydrophobicContact CG2-CB 4Å; T133-L152 HydrophobicContact CG2-CD1 4.36Å; T133-A153 WeakPolarHBondContact O-CA 3.45Å
134	P	94.8	Very high	95.6	Very high	54 Å²	54	28.7 Å²	28.7	35%	0.351	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.4	172.2	-16.5	33.4	0	0	0	114.3	L22 L34 A130 L132	L22-P134 HydrophobicContact CD1-CG 4.18Å; L34-P134 HydrophobicContact CD1-CB 4.34Å; A130-P134 WeakPolarHBondContact O-CD 3.17Å; A130-P134 WeakPolarHBondContact O-CG 3.22Å; L132-P134 VanDerWaalsContact C-CD 3.47Å
135	C	97.3	Very high	95.7	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.034	15%	0.152	C	C	.	.	S	Bend	trans	-65.7	156.3	177.4	-68.5	0	0	0	0	111.1	F49 L131 L132 T133	F49-C135 HydrophobicContact CB-CB 4.12Å; L131-C135 PolarHBondContact O-SG 3.08Å; L132-C135 WeakPolarHBondContact O-CB 3.35Å; L132-C135 PolarHBondContact O-N 3.33Å; T133-C135 VanDerWaalsContact C-N 3.32Å
136	N	98	Very high	95.9	Very high	70 Å²	70	27.1 Å²	27.1	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-74.9	-32.3	178.8	-57.9	95.1	0	0	0	112.3	T48 F49 G155	T48-N136 WeakPolarHBondContact CA-OD1 3.45Å; F49-N136 PolarHBondContact N-OD1 3.11Å; F49-N136 WeakPolarHBondContact O-CB 3.19Å; F49-N136 PolarHBondContact O-N 3.25Å; N136-G155 WeakPolarHBondContact O-CA 3.45Å
137	H	98.6	Very high	96.1	Very high	20 Å²	20	21 Å²	21	9%	0.093	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167.2	-172.6	-57.9	-67.3	0	0	0	110.8	F49 V50 G51 F84 H88 D156	F49-H137 PolarHBondContact O-N 3.43Å; V50-H137 WeakPolarHBondContact CA-O 3.37Å; V50-H137 HydrophobicContact CB-CB 4.48Å; V50-H137 HydrophobicContact CG1-CB 4.18Å; V50-H137 HydrophobicContact CG2-CB 4.16Å; G51-H137 PolarHBondContact N-O 3.09Å; F84-H137 HydrophobicContact CD1-CB 4.1Å; F84-H137 HydrophobicContact CE1-CB 3.31Å; F84-H137 AromaticContact CE1-CG 3.57Å; F84-H137 HydrophobicContact CZ-CB 3.78Å; H88-H137 AromaticContact CE1-CD2 3.83Å; H88-H137 AromaticContact CE1-CE1 3.49Å; H88-H137 PolarHBondContact CE1-CE1 3Å; H88-H137 VanDerWaalsContact CE1-CE1 3.49Å; H88-H137 AromaticContact CE1-NE2 3.11Å; H88-H137 PolarHBondContact CE1-NE2 2.86Å; H88-H137 AromaticContact ND1-NE2 3.59Å; H88-H137 AromaticContact NE2-CD2 3.94Å; H88-H137 AromaticContact NE2-CE1 3.9Å; H88-H137 AromaticContact NE2-NE2 3.64Å; H137-D156 WeakPolarHBondContact CA-O 3.45Å; H137-D156 WeakPolarHBondContact CB-O 3.41Å; H137-D156 IonicContact CE1-OD2 3.09Å; H137-D156 PolarHBondContact ND1-N 3.02Å; H137-D156 IonicContact ND1-OD2 3.52Å
138	T	98.8	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.5	179.6	-60	0	0	0	0	113.5	G51 M140 A150 D156 T157 V158	G51-T138 CarbonylContact O-C 3.08Å; G51-T138 VanDerWaalsContact O-CA 3.3Å; G51-T138 WeakPolarHBondContact O-CA 3.46Å; T138-M140 HydrophobicContact CG2-CB 4.27Å; T138-A150 HydrophobicContact CG2-CB 3.67Å; T138-A150 WeakPolarHBondContact OG1-CA 3.06Å; T138-D156 PolarHBondContact N-O 3.04Å; T138-D156 VanDerWaalsContact N-O 3.09Å; T138-T157 CarbonylContact O-C 3.57Å; T138-T157 VanDerWaalsContact O-CA 3.24Å; T138-T157 WeakPolarHBondContact O-CA 3.27Å; T138-V158 PolarHBondContact O-N 2.93Å
139	I	98.9	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.9	157.3	-61.9	170	0	0	0	106.6	V50 G51 V52 H53 Y76 L77 A80 M81 F84 F93 V158	V50-I139 HydrophobicContact CG1-CD1 4.12Å; V50-I139 HydrophobicContact CG1-CG1 3.91Å; G51-I139 PolarHBondContact O-N 3.37Å; V52-I139 WeakPolarHBondContact CA-O 3.5Å; V52-I139 HydrophobicContact CB-CB 4.46Å; V52-I139 HydrophobicContact CG1-CB 4.17Å; V52-I139 HydrophobicContact CG1-CG2 4.24Å; V52-I139 HydrophobicContact CG2-CB 4.2Å; V52-I139 HydrophobicContact CG2-CD1 4.02Å; V52-I139 HydrophobicContact CG2-CG1 4.46Å; H53-I139 PolarHBondContact N-O 2.84Å; Y76-I139 HydrophobicContact CE1-CG2 4.24Å; L77-I139 HydrophobicContact CD2-CG2 4.45Å; A80-I139 HydrophobicContact CB-CD1 3.84Å; A80-I139 HydrophobicContact CB-CG1 4.05Å; A80-I139 HydrophobicContact CB-CG2 3.72Å; M81-I139 HydrophobicContact CB-CD1 4.48Å; M81-I139 HydrophobicContact CG-CD1 3.79Å; F84-I139 HydrophobicContact CD2-CD1 3.85Å; F84-I139 HydrophobicContact CD2-CG1 3.74Å; F84-I139 HydrophobicContact CE2-CD1 4.11Å; F84-I139 HydrophobicContact CE2-CG1 3.44Å; F84-I139 VanDerWaalsContact CE2-CG1 3.44Å; F93-I139 HydrophobicContact CD1-CD1 4.06Å; F93-I139 HydrophobicContact CE1-CD1 3.93Å; I139-V158 WeakPolarHBondContact CA-O 3.21Å; I139-V158 HydrophobicContact CG1-CB 4.47Å
140	M	98.1	Very high	96.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.4	174.6	64.6	162.6	-73.5	0	0	111.4	Y76 T138 F147 T157 V158 Y159 L160 F180 W184	Y76-M140 PolarHBondContact OH-O 2.89Å; T138-M140 HydrophobicContact CG2-CB 4.27Å; M140-F147 HydrophobicContact CE-CB 4.25Å; M140-F147 HydrophobicContact SD-CB 4.29Å; M140-T157 HydrophobicContact CG-CG2 4.29Å; M140-V158 PolarHBondContact N-O 2.99Å; M140-Y159 WeakPolarHBondContact O-CA 3.44Å; M140-L160 PolarHBondContact O-N 3.08Å; M140-F180 HydrophobicContact CE-CE1 3.81Å; M140-F180 HydrophobicContact SD-CE1 4.2Å; M140-W184 HydrophobicContact SD-CZ3 3.88Å
141	T	96.9	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.			trans	-94	-102.9	172.7	47.5	0	0	0	0	110.1	H53 V54 R55 Y76 L77	H53-T141 PolarHBondContact O-N 3.25Å; H53-T141 VanDerWaalsContact O-N 3.15Å; H53-T141 PolarHBondContact O-OG1 2.98Å; V54-T141 HydrophobicContact CG1-CG2 4.32Å; R55-T141 PolarHBondContact N-OG1 3.05Å; Y76-T141 HydrophobicContact CD1-CG2 4.26Å; Y76-T141 HydrophobicContact CE1-CG2 3.82Å; L77-T141 HydrophobicContact CD2-CG2 4.35Å
142	I	94.3	Very high	96.4	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.041	10%	0.1	C	C	.	.	S	Bend	trans	-124.8	147.8	-177.2	-50.5	176.1	0	0	0	109.2	R55 Y59 M63 V70 L160 F163	R55-I142 WeakPolarHBondContact CB-O 3.38Å; Y59-I142 HydrophobicContact CD1-CB 4.34Å; Y59-I142 HydrophobicContact CD1-CG2 4.15Å; Y59-I142 HydrophobicContact CE1-CB 4.23Å; Y59-I142 HydrophobicContact CE1-CG2 3.68Å; M63-I142 HydrophobicContact CE-CD1 3.93Å; V70-I142 WeakPolarHBondContact O-CD1 3.39Å; I142-L160 HydrophobicContact CD1-CD2 3.74Å; I142-L160 HydrophobicContact CG1-CD2 3.63Å; I142-F163 HydrophobicContact CD1-CB 3.89Å; I142-F163 HydrophobicContact CD1-CD1 4.2Å; I142-F163 HydrophobicContact CD1-CD2 3.67Å; I142-F163 HydrophobicContact CD1-CE2 4.23Å; I142-F163 HydrophobicContact CD1-CG 3.64Å; I142-F163 HydrophobicContact CG1-CD1 4.13Å; I142-F163 HydrophobicContact CG1-CD2 4.32Å; I142-F163 HydrophobicContact CG1-CE1 4.39Å; I142-F163 HydrophobicContact CG1-CG 4.08Å; I142-F163 HydrophobicContact CG2-CD2 4.42Å; I142-F163 HydrophobicContact CG2-CE1 4.44Å; I142-F163 HydrophobicContact CG2-CE2 3.94Å; I142-F163 HydrophobicContact CG2-CZ 3.96Å
143	G	92.3	Very high	96.4	Very high	13 Å²	13	19 Å²	19	13%	0.134	10%	0.104	C	C	.	.	S	Bend	trans	109	169.8	169.2	0	0	0	0	0	113.5	F147	G143-F147 PolarHBondContact O-N 3.45Å
144	T	93.6	Very high	96.4	Very high	55 Å²	55	18 Å²	18	34%	0.337	10%	0.098	S	C	.	.	H	α-helix	trans	-72.9	-30.8	-172.8	58.8	0	0	0	0	112.7	F2 P3 C4 F147 W148	F2-T144 HydrophobicContact CE1-CG2 3.8Å; F2-T144 HydrophobicContact CZ-CG2 4.22Å; P3-T144 HydrophobicContact CG-CG2 3.64Å; C4-T144 VanDerWaalsContact SG-CB 3.55Å; C4-T144 WeakPolarHBondContact SG-CG2 3.18Å; T144-F147 PolarHBondContact O-N 3.08Å; T144-W148 VanDerWaalsContact O-CD1 3.26Å; T144-W148 PolarHBondContact O-N 3.37Å
145	F	95.1	Very high	96.5	Very high	47 Å²	47	17.8 Å²	17.8	21%	0.206	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-53.1	179.8	-172.6	-82.7	0	0	0	111.6	H53 P125 D128 F129 L132 F147 W148 A149	H53-F145 AromaticContact CD2-CD1 3.37Å; H53-F145 WeakPolarHBondContact CD2-CD1 3.46Å; H53-F145 AromaticContact CD2-CE1 3.53Å; H53-F145 AromaticContact CE1-CD1 3.63Å; H53-F145 AromaticContact CG-CD1 3.89Å; H53-F145 AromaticContact NE2-CD1 3.19Å; H53-F145 WeakPolarHBondContact NE2-CD1 3.4Å; H53-F145 AromaticContact NE2-CE1 3.7Å; H53-F145 AromaticContact NE2-CG 3.95Å; P125-F145 HydrophobicContact CB-CE2 3.92Å; P125-F145 WeakPolarHBondContact O-CE2 3.26Å; P125-F145 WeakPolarHBondContact O-CZ 3.41Å; D128-F145 HydrophobicContact CB-CE1 4.42Å; D128-F145 HydrophobicContact CB-CZ 3.96Å; F129-F145 HydrophobicContact CB-CE2 4.18Å; F129-F145 HydrophobicContact CB-CZ 3.88Å; F129-F145 HydrophobicContact CD2-CD1 4.38Å; F129-F145 HydrophobicContact CD2-CD2 4.12Å; F129-F145 HydrophobicContact CD2-CE1 4.01Å; F129-F145 AromaticContact CD2-CE2 3.67Å; F129-F145 HydrophobicContact CD2-CE2 3.67Å; F129-F145 HydrophobicContact CD2-CG 4.47Å; F129-F145 AromaticContact CD2-CZ 3.64Å; F129-F145 HydrophobicContact CD2-CZ 3.64Å; F129-F145 HydrophobicContact CG-CE2 4.39Å; F129-F145 HydrophobicContact CG-CZ 4.27Å; L132-F145 HydrophobicContact CD1-CD1 4.45Å; L132-F145 HydrophobicContact CD1-CE1 3.74Å; F145-F147 VanDerWaalsContact C-N 3.32Å; F145-F147 PolarHBondContact O-N 3.16Å; F145-W148 PolarHBondContact O-N 3.3Å; F145-A149 WeakPolarHBondContact O-CB 3.46Å; F145-A149 PolarHBondContact O-N 3.1Å
146	G	96	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-37.7	177.7	0	0	0	0	0	112.6	A149 A150	G146-A149 PolarHBondContact O-N 2.84Å; G146-A150 WeakPolarHBondContact O-CB 3.39Å; G146-A150 PolarHBondContact O-N 2.83Å
147	F	96.6	Very high	96.5	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-51.6	174.6	173.1	-86.4	0	0	0	111.8	C4 W6 F9 M140 G143 T144 F145 A149 A150 Y151 A179 W184	C4-F147 HydrophobicContact CB-CB 4.49Å; C4-F147 HydrophobicContact CB-CD1 3.57Å; C4-F147 HydrophobicContact CB-CD2 4.2Å; C4-F147 HydrophobicContact CB-CE1 3.8Å; C4-F147 HydrophobicContact CB-CE2 4.39Å; C4-F147 HydrophobicContact CB-CG 3.81Å; C4-F147 HydrophobicContact CB-CZ 4.2Å; W6-F147 HydrophobicContact CB-CZ 4.36Å; F9-F147 AromaticContact CZ-CE1 3.86Å; F9-F147 HydrophobicContact CZ-CE1 3.86Å; F9-F147 AromaticContact CZ-CZ 3.97Å; F9-F147 HydrophobicContact CZ-CZ 3.97Å; M140-F147 HydrophobicContact CE-CB 4.25Å; M140-F147 HydrophobicContact SD-CB 4.29Å; G143-F147 PolarHBondContact O-N 3.45Å; T144-F147 PolarHBondContact O-N 3.08Å; F145-F147 VanDerWaalsContact C-N 3.32Å; F145-F147 PolarHBondContact O-N 3.16Å; F147-A149 PolarHBondContact O-N 2.95Å; F147-A150 PolarHBondContact O-N 2.97Å; F147-Y151 HydrophobicContact CE1-CD2 4.39Å; F147-Y151 HydrophobicContact CE1-CG 4.4Å; F147-Y151 HydrophobicContact CZ-CD2 4.02Å; F147-Y151 HydrophobicContact CZ-CG 4.47Å; F147-Y151 VanDerWaalsContact O-CB 3.3Å; F147-Y151 WeakPolarHBondContact O-CB 3.37Å; F147-Y151 PolarHBondContact O-N 2.87Å; F147-A179 VanDerWaalsContact CD2-O 3.26Å; F147-A179 WeakPolarHBondContact CD2-O 3.38Å; F147-A179 WeakPolarHBondContact CE2-O 3.23Å; F147-W184 AromaticContact CD2-CH2 3.71Å; F147-W184 HydrophobicContact CD2-CH2 3.71Å; F147-W184 AromaticContact CD2-CZ3 3.63Å; F147-W184 HydrophobicContact CD2-CZ3 3.63Å; F147-W184 AromaticContact CE2-CH2 3.8Å; F147-W184 HydrophobicContact CE2-CH2 3.8Å; F147-W184 AromaticContact CE2-CZ3 3.91Å; F147-W184 HydrophobicContact CE2-CZ3 3.91Å; F147-W184 HydrophobicContact CG-CH2 4.42Å
148	W	96.6	Very high	96.5	Very high	70 Å²	70	16.5 Å²	16.5	27%	0.265	10%	0.099	S	C	.	.	H	α-helix	trans	-68.4	-35.9	-177.8	-81.1	111.6	0	0	0	112.3	F9 I16 F129 T144 F145 Y151 L152	F9-W148 HydrophobicContact CD2-CH2 4.33Å; F9-W148 HydrophobicContact CE1-CH2 4.32Å; F9-W148 HydrophobicContact CE1-CZ2 4.34Å; F9-W148 AromaticContact CE2-CH2 3.9Å; F9-W148 HydrophobicContact CE2-CH2 3.9Å; F9-W148 HydrophobicContact CE2-CZ3 4.31Å; F9-W148 AromaticContact CZ-CH2 3.88Å; F9-W148 HydrophobicContact CZ-CH2 3.88Å; F9-W148 HydrophobicContact CZ-CZ2 4.11Å; I16-W148 HydrophobicContact CG2-CZ3 4.14Å; F129-W148 HydrophobicContact CE2-CB 4.05Å; F129-W148 HydrophobicContact CZ-CB 3.89Å; T144-W148 VanDerWaalsContact O-CD1 3.26Å; T144-W148 PolarHBondContact O-N 3.37Å; F145-W148 PolarHBondContact O-N 3.3Å; W148-Y151 HydrophobicContact CE3-CD1 4.26Å; W148-Y151 HydrophobicContact CZ3-CD1 4.03Å; W148-Y151 HydrophobicContact CZ3-CE1 4.45Å; W148-Y151 PolarHBondContact O-N 3.2Å; W148-L152 WeakPolarHBondContact O-CB 3.41Å; W148-L152 WeakPolarHBondContact O-CG 3.23Å; W148-L152 PolarHBondContact O-N 3.17Å
149	A	96.5	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-48.9	172.5	0	0	0	0	0	111.2	F129 L132 F145 G146 F147 A153	F129-A149 HydrophobicContact CD2-CB 4.28Å; F129-A149 HydrophobicContact CE2-CB 3.9Å; F129-A149 HydrophobicContact CZ-CB 4.44Å; L132-A149 HydrophobicContact CB-CB 3.93Å; L132-A149 HydrophobicContact CD1-CB 3.71Å; L132-A149 HydrophobicContact CG-CB 4.49Å; F145-A149 WeakPolarHBondContact O-CB 3.46Å; F145-A149 PolarHBondContact O-N 3.1Å; G146-A149 PolarHBondContact O-N 2.84Å; F147-A149 PolarHBondContact O-N 2.95Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 2.9Å
150	A	97.3	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176.8	0	0	0	0	0	112.8	T138 G146 F147 L152 A153 G154 T157 W184	T138-A150 HydrophobicContact CG2-CB 3.67Å; T138-A150 WeakPolarHBondContact OG1-CA 3.06Å; G146-A150 WeakPolarHBondContact O-CB 3.39Å; G146-A150 PolarHBondContact O-N 2.83Å; F147-A150 PolarHBondContact O-N 2.97Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.01Å; A150-A153 PolarHBondContact O-N 3.01Å; A150-G154 PolarHBondContact O-N 3.12Å; A150-T157 HydrophobicContact CB-CG2 3.72Å; A150-W184 HydrophobicContact CB-CH2 3.61Å; A150-W184 HydrophobicContact CB-CZ2 3.82Å; A150-W184 HydrophobicContact CB-CZ3 4.28Å
151	Y	96.7	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-40.9	-178.1	-169	-94	0	0	0	112.5	F9 H10 R13 I16 F147 W148 L181	F9-Y151 HydrophobicContact CD2-CE1 4.35Å; F9-Y151 HydrophobicContact CE2-CD1 4.48Å; F9-Y151 HydrophobicContact CE2-CD2 4.46Å; F9-Y151 AromaticContact CE2-CE1 3.96Å; F9-Y151 HydrophobicContact CE2-CE1 3.96Å; F9-Y151 AromaticContact CE2-CE2 3.93Å; F9-Y151 HydrophobicContact CE2-CE2 3.93Å; F9-Y151 AromaticContact CE2-CZ 3.66Å; H10-Y151 WeakPolarHBondContact CA-OH 3.37Å; H10-Y151 AromaticContact ND1-CE2 3.51Å; H10-Y151 AromaticContact ND1-CZ 3.66Å; H10-Y151 PolarHBondContact ND1-OH 3.39Å; R13-Y151 WeakPolarHBondContact CB-OH 3.44Å; R13-Y151 HydrophobicContact CG-CE1 4.18Å; I16-Y151 HydrophobicContact CD1-CE1 4.47Å; I16-Y151 HydrophobicContact CG2-CE1 4.25Å; F147-Y151 HydrophobicContact CE1-CD2 4.39Å; F147-Y151 HydrophobicContact CE1-CG 4.4Å; F147-Y151 HydrophobicContact CZ-CD2 4.02Å; F147-Y151 HydrophobicContact CZ-CG 4.47Å; F147-Y151 VanDerWaalsContact O-CB 3.3Å; F147-Y151 WeakPolarHBondContact O-CB 3.37Å; F147-Y151 PolarHBondContact O-N 2.87Å; W148-Y151 HydrophobicContact CE3-CD1 4.26Å; W148-Y151 HydrophobicContact CZ3-CD1 4.03Å; W148-Y151 HydrophobicContact CZ3-CE1 4.45Å; W148-Y151 PolarHBondContact O-N 3.2Å; Y151-L181 HydrophobicContact CD2-CD1 3.83Å; Y151-L181 HydrophobicContact CD2-CG 4.37Å; Y151-L181 HydrophobicContact CE2-CD1 3.84Å; Y151-L181 HydrophobicContact CE2-CD2 4.19Å; Y151-L181 HydrophobicContact CE2-CG 4.34Å
152	L	96.1	Very high	96.4	Very high	18 Å²	18	23.4 Å²	23.4	9%	0.094	14%	0.135	C	C	.	.	H	α-helix	trans	-79	-38.4	179.3	-68.1	174.8	0	0	0	112.7	I16 R17 F20 F129 T133 W148 A150	I16-L152 HydrophobicContact CG2-CD2 3.87Å; R17-L152 VanDerWaalsContact CZ-O 3.27Å; R17-L152 PolarHBondContact NH1-O 2.91Å; R17-L152 PolarHBondContact NH2-O 2.95Å; F20-L152 HydrophobicContact CB-CD1 4.09Å; F20-L152 HydrophobicContact CB-CD2 3.84Å; F129-L152 HydrophobicContact CE1-CD1 3.68Å; F129-L152 HydrophobicContact CZ-CD1 3.82Å; T133-L152 HydrophobicContact CG2-CB 4Å; T133-L152 HydrophobicContact CG2-CD1 4.36Å; W148-L152 WeakPolarHBondContact O-CB 3.41Å; W148-L152 WeakPolarHBondContact O-CG 3.23Å; W148-L152 PolarHBondContact O-N 3.17Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.01Å
153	A	96.3	Very high	96.5	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-51.2	171.7	0	0	0	0	0	110.2	R17 T133 A149 A150	R17-A153 PolarHBondContact NH1-O 3.38Å; R17-A153 PolarHBondContact NH2-O 3.13Å; R17-A153 VanDerWaalsContact NH2-O 3.1Å; T133-A153 WeakPolarHBondContact O-CA 3.45Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 2.9Å; A150-A153 PolarHBondContact O-N 3.01Å
154	G	95.2	Very high	96.7	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	13%	0.132	C	C	.	.			trans	80	-156.6	-170.4	0	0	0	0	0	111.7	A150	A150-G154 PolarHBondContact O-N 3.12Å
155	G	96.6	Very high	96.9	Very high	49 Å²	49	21.6 Å²	21.6	51%	0.505	12%	0.12	S	C	.	.	S	Bend	trans	62.2	-165.8	-171.5	0	0	0	0	0	112.9	N136	N136-G155 WeakPolarHBondContact O-CA 3.45Å
156	D	98.3	Very high	96.8	Very high	68 Å²	68	24.9 Å²	24.9	36%	0.364	15%	0.146	S	C	.	.			trans	-64.4	139.2	174.6	-59.3	-47.9	0	0	0	112.2	W83 F84 H88 H137 T138	W83-D156 HydrophobicContact CH2-CB 3.81Å; W83-D156 HydrophobicContact CZ3-CB 3.9Å; F84-D156 HydrophobicContact CE1-CB 3.96Å; F84-D156 HydrophobicContact CZ-CB 4.31Å; H88-D156 IonicContact CE1-OD2 2.7Å; H88-D156 IonicContact NE2-OD2 3.18Å; H137-D156 WeakPolarHBondContact CA-O 3.45Å; H137-D156 WeakPolarHBondContact CB-O 3.41Å; H137-D156 IonicContact CE1-OD2 3.09Å; H137-D156 PolarHBondContact ND1-N 3.02Å; H137-D156 IonicContact ND1-OD2 3.52Å; T138-D156 PolarHBondContact N-O 3.04Å; T138-D156 VanDerWaalsContact N-O 3.09Å
157	T	98.7	Very high	96.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.5	176.6	-64.1	0	0	0	0	110.5	T138 M140 A150 W184 V185	T138-T157 CarbonylContact O-C 3.57Å; T138-T157 VanDerWaalsContact O-CA 3.24Å; T138-T157 WeakPolarHBondContact O-CA 3.27Å; M140-T157 HydrophobicContact CG-CG2 4.29Å; A150-T157 HydrophobicContact CB-CG2 3.72Å; T157-W184 HydrophobicContact CG2-CD2 3.63Å; T157-W184 HydrophobicContact CG2-CE3 3.72Å; T157-W184 HydrophobicContact CG2-CG 4.06Å; T157-W184 HydrophobicContact CG2-CH2 4.36Å; T157-W184 HydrophobicContact CG2-CZ2 4.27Å; T157-W184 HydrophobicContact CG2-CZ3 4.08Å; T157-V185 PolarHBondContact O-N 3.09Å
158	V	98.8	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.3	168.3	177.9	0	0	0	0	109	Y76 A80 W83 F84 T138 I139 M140 V185 I187	Y76-V158 HydrophobicContact CE2-CG1 4.44Å; Y76-V158 PolarHBondContact OH-O 2.88Å; A80-V158 HydrophobicContact CB-CB 4.32Å; A80-V158 HydrophobicContact CB-CG1 3.66Å; W83-V158 HydrophobicContact CD2-CG2 3.92Å; W83-V158 HydrophobicContact CE3-CG2 3.77Å; W83-V158 HydrophobicContact CG-CG2 4.31Å; W83-V158 HydrophobicContact CZ3-CG2 4.3Å; F84-V158 HydrophobicContact CD2-CG2 4.3Å; F84-V158 HydrophobicContact CE2-CB 4.07Å; F84-V158 HydrophobicContact CE2-CG2 3.54Å; F84-V158 HydrophobicContact CZ-CG2 4.05Å; T138-V158 PolarHBondContact O-N 2.93Å; I139-V158 WeakPolarHBondContact CA-O 3.21Å; I139-V158 HydrophobicContact CG1-CB 4.47Å; M140-V158 PolarHBondContact N-O 2.99Å; V158-V185 CarbonylContact C-O 3.5Å; V158-V185 VanDerWaalsContact CA-O 3.27Å; V158-V185 WeakPolarHBondContact CA-O 3.34Å; V158-V185 HydrophobicContact CG2-CB 4.28Å; V158-I187 HydrophobicContact CG1-CD1 3.6Å; V158-I187 HydrophobicContact CG1-CG1 3.93Å
159	Y	98.3	Very high	96.5	Very high	39 Å²	39	31.1 Å²	31.1	15%	0.153	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.3	179	73.4	-87.7	0	0	0	112.3	Y76 M140 A161 F180 W184 V185 G186 I187	Y76-Y159 WeakPolarHBondContact OH-CA 3.32Å; M140-Y159 WeakPolarHBondContact O-CA 3.44Å; Y159-A161 HydrophobicContact CD2-CB 4.33Å; Y159-A161 HydrophobicContact CE2-CB 3.7Å; Y159-A161 PolarHBondContact O-N 3.32Å; Y159-F180 HydrophobicContact CD1-CB 4.3Å; Y159-F180 HydrophobicContact CD1-CD1 4.25Å; Y159-F180 HydrophobicContact CD1-CG 4.17Å; Y159-F180 AromaticContact CD2-CD1 3.8Å; Y159-F180 HydrophobicContact CD2-CD1 3.8Å; Y159-F180 AromaticContact CD2-CD2 3.59Å; Y159-F180 HydrophobicContact CD2-CD2 3.59Å; Y159-F180 AromaticContact CD2-CE1 3.71Å; Y159-F180 HydrophobicContact CD2-CE1 3.71Å; Y159-F180 AromaticContact CD2-CE2 3.48Å; Y159-F180 HydrophobicContact CD2-CE2 3.48Å; Y159-F180 VanDerWaalsContact CD2-CE2 3.48Å; Y159-F180 AromaticContact CD2-CG 3.73Å; Y159-F180 HydrophobicContact CD2-CG 3.73Å; Y159-F180 AromaticContact CD2-CZ 3.54Å; Y159-F180 HydrophobicContact CD2-CZ 3.54Å; Y159-F180 HydrophobicContact CE1-CB 3.96Å; Y159-F180 HydrophobicContact CE1-CD2 4.43Å; Y159-F180 HydrophobicContact CE1-CG 4.1Å; Y159-F180 HydrophobicContact CE2-CB 4.31Å; Y159-F180 HydrophobicContact CE2-CD1 4.24Å; Y159-F180 AromaticContact CE2-CD2 3.26Å; Y159-F180 HydrophobicContact CE2-CD2 3.26Å; Y159-F180 HydrophobicContact CE2-CE1 4.4Å; Y159-F180 AromaticContact CE2-CE2 3.44Å; Y159-F180 HydrophobicContact CE2-CE2 3.44Å; Y159-F180 VanDerWaalsContact CE2-CE2 3.44Å; Y159-F180 AromaticContact CE2-CG 3.68Å; Y159-F180 HydrophobicContact CE2-CG 3.68Å; Y159-F180 HydrophobicContact CE2-CZ 4.03Å; Y159-F180 AromaticContact CG-CD1 3.81Å; Y159-F180 HydrophobicContact CG-CD1 3.81Å; Y159-F180 HydrophobicContact CG-CD2 4.32Å; Y159-F180 AromaticContact CG-CE1 3.96Å; Y159-F180 HydrophobicContact CG-CE1 3.96Å; Y159-F180 HydrophobicContact CG-CE2 4.44Å; Y159-F180 AromaticContact CG-CG 3.99Å; Y159-F180 HydrophobicContact CG-CG 3.99Å; Y159-F180 HydrophobicContact CG-CZ 4.26Å; Y159-F180 AromaticContact CZ-CD2 3.73Å; Y159-F180 AromaticContact CZ-CG 3.87Å; Y159-W184 HydrophobicContact CD1-CB 3.86Å; Y159-W184 HydrophobicContact CD1-CE3 4.45Å; Y159-W184 HydrophobicContact CE1-CB 3.98Å; Y159-V185 VanDerWaalsContact CD1-O 3.28Å; Y159-V185 WeakPolarHBondContact CD1-O 3.46Å; Y159-V185 VanDerWaalsContact CE1-C 3.5Å; Y159-V185 PolarHBondContact N-O 2.99Å; Y159-G186 VanDerWaalsContact CE1-CA 3.42Å; Y159-G186 VanDerWaalsContact CE1-N 3.29Å; Y159-G186 VanDerWaalsContact CZ-CA 3.45Å; Y159-G186 WeakPolarHBondContact O-CA 3.13Å; Y159-I187 PolarHBondContact O-N 3.18Å
160	L	98.3	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.2	173.6	-172.6	75.1	0	0	0	109.2	Y76 M140 I142 F163 A189	Y76-L160 HydrophobicContact CD1-CD1 3.94Å; Y76-L160 HydrophobicContact CD2-CB 4.46Å; Y76-L160 HydrophobicContact CD2-CD1 3.34Å; Y76-L160 HydrophobicContact CD2-CG 4.5Å; Y76-L160 HydrophobicContact CE1-CB 4.26Å; Y76-L160 HydrophobicContact CE1-CD1 4.3Å; Y76-L160 HydrophobicContact CE2-CB 3.98Å; Y76-L160 HydrophobicContact CE2-CD1 3.74Å; Y76-L160 HydrophobicContact CE2-CG 4.49Å; Y76-L160 HydrophobicContact CG-CD1 3.45Å; Y76-L160 VanDerWaalsContact CG-CD1 3.45Å; Y76-L160 PolarHBondContact OH-N 3.09Å; Y76-L160 VanDerWaalsContact OH-N 3.09Å; M140-L160 PolarHBondContact O-N 3.08Å; I142-L160 HydrophobicContact CD1-CD2 3.74Å; I142-L160 HydrophobicContact CG1-CD2 3.63Å; L160-F163 HydrophobicContact CD2-CB 3.79Å; L160-F163 HydrophobicContact CD2-CD1 4.44Å; L160-F163 HydrophobicContact CD2-CG 4.4Å; L160-F163 HydrophobicContact CG-CB 4.18Å; L160-F163 HydrophobicContact CG-CD1 4.44Å; L160-F163 VanDerWaalsContact O-CD1 3.23Å; L160-F163 WeakPolarHBondContact O-CD1 3.47Å; L160-A189 HydrophobicContact CD1-CB 3.66Å; L160-A189 HydrophobicContact CD2-CB 4.17Å; L160-A189 HydrophobicContact CG-CB 3.95Å
161	A	97.4	Very high	96	Very high	8 Å²	8	34.2 Å²	34.2	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	159.8	178	0	0	0	0	0	111.3	Y159 F163 I187 N188 A189	Y159-A161 HydrophobicContact CD2-CB 4.33Å; Y159-A161 HydrophobicContact CE2-CB 3.7Å; Y159-A161 PolarHBondContact O-N 3.32Å; A161-F163 VanDerWaalsContact C-N 3.26Å; A161-F163 PolarHBondContact O-N 3.38Å; A161-F163 VanDerWaalsContact O-N 3.11Å; A161-I187 PolarHBondContact N-O 2.97Å; A161-N188 CarbonylContact O-C 3.45Å; A161-N188 WeakPolarHBondContact O-CA 3.15Å; A161-A189 PolarHBondContact O-N 3.49Å
162	N	96.3	Very high	95.8	Very high	99 Å²	99	40.6 Å²	40.6	53%	0.529	23%	0.225	S	C	.	.			trans	51.1	41	169.3	-63.6	-35.3	0	0	0	114.6	T164 N188	N162-T164 VanDerWaalsContact C-N 3.25Å; N162-T164 PolarHBondContact O-N 2.9Å; N162-N188 PolarHBondContact ND2-OD1 3.32Å
163	F	96.4	Very high	95.4	Very high	8 Å²	8	44 Å²	44	4%	0.035	24%	0.243	C	C	.	.			trans	-84.1	13.3	-175.8	55.6	-100.7	0	0	0	114.6	M63 G69 V70 I142 L160 A161 F170 F174 F180 A189	M63-F163 HydrophobicContact CE-CD2 3.53Å; M63-F163 HydrophobicContact CE-CE2 3.94Å; G69-F163 CarbonylContact C-O 3.6Å; G69-F163 WeakPolarHBondContact CA-O 3.35Å; V70-F163 HydrophobicContact CG2-CB 4.28Å; V70-F163 PolarHBondContact N-O 2.88Å; I142-F163 HydrophobicContact CD1-CB 3.89Å; I142-F163 HydrophobicContact CD1-CD1 4.2Å; I142-F163 HydrophobicContact CD1-CD2 3.67Å; I142-F163 HydrophobicContact CD1-CE2 4.23Å; I142-F163 HydrophobicContact CD1-CG 3.64Å; I142-F163 HydrophobicContact CG1-CD1 4.13Å; I142-F163 HydrophobicContact CG1-CD2 4.32Å; I142-F163 HydrophobicContact CG1-CE1 4.39Å; I142-F163 HydrophobicContact CG1-CG 4.08Å; I142-F163 HydrophobicContact CG2-CD2 4.42Å; I142-F163 HydrophobicContact CG2-CE1 4.44Å; I142-F163 HydrophobicContact CG2-CE2 3.94Å; I142-F163 HydrophobicContact CG2-CZ 3.96Å; L160-F163 HydrophobicContact CD2-CB 3.79Å; L160-F163 HydrophobicContact CD2-CD1 4.44Å; L160-F163 HydrophobicContact CD2-CG 4.4Å; L160-F163 HydrophobicContact CG-CB 4.18Å; L160-F163 HydrophobicContact CG-CD1 4.44Å; L160-F163 VanDerWaalsContact O-CD1 3.23Å; L160-F163 WeakPolarHBondContact O-CD1 3.47Å; A161-F163 VanDerWaalsContact C-N 3.26Å; A161-F163 PolarHBondContact O-N 3.38Å; A161-F163 VanDerWaalsContact O-N 3.11Å; F163-F170 HydrophobicContact CE2-CD1 4.18Å; F163-F170 AromaticContact CE2-CE1 3.62Å; F163-F170 HydrophobicContact CE2-CE1 3.62Å; F163-F170 HydrophobicContact CE2-CZ 4.43Å; F163-F170 AromaticContact CZ-CE1 3.95Å; F163-F170 HydrophobicContact CZ-CE1 3.95Å; F163-F174 HydrophobicContact CE1-CE1 4.32Å; F163-F174 HydrophobicContact CE1-CZ 4.38Å; F163-F174 HydrophobicContact CZ-CD1 4.47Å; F163-F174 AromaticContact CZ-CE1 3.91Å; F163-F174 HydrophobicContact CZ-CE1 3.91Å; F163-F174 AromaticContact CZ-CZ 4Å; F163-F174 HydrophobicContact CZ-CZ 4Å; F163-F180 HydrophobicContact CE1-CZ 4.44Å; F163-A189 HydrophobicContact CB-CB 3.95Å
164	T	96.6	Very high	95.2	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.086	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-134.4	152.8	175.6	59.7	0	0	0	0	111.1	M63 K68 N162 F170	M63-T164 HydrophobicContact CE-CG2 4.25Å; K68-T164 CarbonylContact O-C 3.58Å; K68-T164 WeakPolarHBondContact O-CA 3.47Å; N162-T164 VanDerWaalsContact C-N 3.25Å; N162-T164 PolarHBondContact O-N 2.9Å; T164-F170 HydrophobicContact CG2-CB 4.31Å; T164-F170 HydrophobicContact CG2-CD1 3.86Å; T164-F170 HydrophobicContact CG2-CG 4.4Å
165	L	96.1	Very high	95	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.084	26%	0.262	C	S	.	.			trans	-60.5	151	168.8	-63.2	-174	0	0	0	111.6	K68 D167 S168 L191 L194 W195	K68-L165 HydrophobicContact CB-CB 4.14Å; K68-L165 HydrophobicContact CB-CD1 4.12Å; K68-L165 HydrophobicContact CB-CG 4.15Å; K68-L165 HydrophobicContact CD-CD1 4.43Å; K68-L165 PolarHBondContact O-N 3.49Å; L165-D167 WeakPolarHBondContact CB-OD1 3.5Å; L165-D167 PolarHBondContact O-N 3.44Å; L165-D167 VanDerWaalsContact O-N 3.14Å; L165-S168 WeakPolarHBondContact O-CB 3.36Å; L165-S168 PolarHBondContact O-N 3.1Å; L165-L191 HydrophobicContact CD2-CB 4.39Å; L165-L191 HydrophobicContact CD2-CD1 4.19Å; L165-L194 HydrophobicContact CD1-CD1 4.45Å; L165-L194 HydrophobicContact CD2-CD1 4.03Å; L165-L194 HydrophobicContact CG-CD1 3.86Å; L165-W195 HydrophobicContact CD1-CH2 4.06Å; L165-W195 HydrophobicContact CD1-CZ3 4.15Å; L165-W195 HydrophobicContact CD2-CH2 3.55Å; L165-W195 HydrophobicContact CD2-CZ2 3.27Å; L165-W195 HydrophobicContact CD2-CZ3 4.29Å; L165-W195 HydrophobicContact CG-CH2 4.39Å
166	P	93.6	Very high	94.6	Very high	116 Å²	116	48.6 Å²	48.6	75%	0.753	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.3	-179.4	-25.5	34.9	0	0	0	114.9
167	D	94.1	Very high	94.2	Very high	94 Å²	94	52.3 Å²	52.3	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16.3	179.5	74.6	-28.8	0	0	0	112.8	K68 L165	K68-D167 PolarHBondContact NZ-O 3.28Å; K68-D167 IonicContact NZ-OD1 2.7Å; K68-D167 IonicContact NZ-OD2 3.57Å; K68-D167 PolarHBondContact NZ-OD2 3.12Å; L165-D167 WeakPolarHBondContact CB-OD1 3.5Å; L165-D167 PolarHBondContact O-N 3.44Å; L165-D167 VanDerWaalsContact O-N 3.14Å
168	S	95.3	Very high	93.8	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.035	27%	0.273	C	S	.	.			trans	-72	130.9	176.2	180	0	0	0	0	111.9	W67 L165 F170 L171	W67-S168 WeakPolarHBondContact O-CB 3.49Å; W67-S168 PolarHBondContact O-OG 2.89Å; L165-S168 WeakPolarHBondContact O-CB 3.36Å; L165-S168 PolarHBondContact O-N 3.1Å; S168-F170 PolarHBondContact O-N 3.22Å; S168-F170 VanDerWaalsContact O-N 3.12Å; S168-F170 VanDerWaalsContact OG-CB 3.23Å; S168-F170 WeakPolarHBondContact OG-CB 3.3Å; S168-F170 PolarHBondContact OG-N 3.36Å; S168-F170 VanDerWaalsContact OG-N 3.11Å; S168-L171 WeakPolarHBondContact O-CB 3.23Å; S168-L171 PolarHBondContact O-N 2.65Å; S168-L171 VanDerWaalsContact O-N 3.1Å
169	E	93.7	Very high	93.5	Very high	105 Å²	105	53.6 Å²	53.6	49%	0.491	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.1	170.5	-66.5	-66	121.2	0	0	112.6	L171 K172	E169-L171 PolarHBondContact O-N 2.58Å; E169-K172 VanDerWaalsContact CD-CE 3.45Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 3.17Å; E169-K172 VanDerWaalsContact O-N 3.09Å; E169-K172 WeakPolarHBondContact OE1-CE 3.45Å; E169-K172 IonicContact OE1-NZ 3.96Å; E169-K172 PolarHBondContact OE1-NZ 3.13Å; E169-K172 VanDerWaalsContact OE2-CD 3.27Å; E169-K172 WeakPolarHBondContact OE2-CD 3.3Å; E169-K172 WeakPolarHBondContact OE2-CE 3.28Å; E169-K172 IonicContact OE2-NZ 3.81Å; E169-K172 PolarHBondContact OE2-NZ 3.3Å
170	F	92.1	Very high	93.3	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-35.1	175.2	-169.3	-113.1	0	0	0	111.9	F2 W67 F163 T164 S168 K172 I173 F174	F2-F170 HydrophobicContact CD2-CE2 4.48Å; F2-F170 HydrophobicContact CD2-CZ 4.42Å; F2-F170 HydrophobicContact CE2-CE2 4.05Å; F2-F170 HydrophobicContact CE2-CZ 4Å; F2-F170 HydrophobicContact CZ-CZ 4.46Å; W67-F170 HydrophobicContact CB-CB 4.2Å; W67-F170 HydrophobicContact CB-CG 4.47Å; W67-F170 HydrophobicContact CD2-CB 4.14Å; W67-F170 AromaticContact CD2-CD2 3.72Å; W67-F170 HydrophobicContact CD2-CD2 3.72Å; W67-F170 HydrophobicContact CD2-CG 4.29Å; W67-F170 AromaticContact CE2-CD2 3.99Å; W67-F170 HydrophobicContact CE3-CB 3.75Å; W67-F170 AromaticContact CE3-CD2 3.91Å; W67-F170 HydrophobicContact CE3-CD2 3.91Å; W67-F170 HydrophobicContact CE3-CG 4.3Å; W67-F170 HydrophobicContact CG-CB 4.35Å; W67-F170 HydrophobicContact CG-CD2 4.03Å; W67-F170 HydrophobicContact CG-CG 4.38Å; W67-F170 HydrophobicContact CZ2-CD2 4.41Å; W67-F170 HydrophobicContact CZ3-CB 4.45Å; W67-F170 HydrophobicContact CZ3-CD2 4.33Å; F163-F170 HydrophobicContact CE2-CD1 4.18Å; F163-F170 AromaticContact CE2-CE1 3.62Å; F163-F170 HydrophobicContact CE2-CE1 3.62Å; F163-F170 HydrophobicContact CE2-CZ 4.43Å; F163-F170 AromaticContact CZ-CE1 3.95Å; F163-F170 HydrophobicContact CZ-CE1 3.95Å; T164-F170 HydrophobicContact CG2-CB 4.31Å; T164-F170 HydrophobicContact CG2-CD1 3.86Å; T164-F170 HydrophobicContact CG2-CG 4.4Å; S168-F170 PolarHBondContact O-N 3.22Å; S168-F170 VanDerWaalsContact O-N 3.12Å; S168-F170 VanDerWaalsContact OG-CB 3.23Å; S168-F170 WeakPolarHBondContact OG-CB 3.3Å; S168-F170 PolarHBondContact OG-N 3.36Å; S168-F170 VanDerWaalsContact OG-N 3.11Å; F170-K172 PolarHBondContact O-N 3.08Å; F170-I173 HydrophobicContact CD2-CD1 4.2Å; F170-I173 HydrophobicContact CD2-CG1 4.31Å; F170-I173 HydrophobicContact CE2-CD1 4.43Å; F170-I173 WeakPolarHBondContact O-CG1 3.49Å; F170-I173 PolarHBondContact O-N 3.02Å; F170-F174 HydrophobicContact CD1-CB 3.64Å; F170-F174 HydrophobicContact CD1-CD1 4.23Å; F170-F174 HydrophobicContact CD1-CG 4.01Å; F170-F174 HydrophobicContact CE1-CB 3.33Å; F170-F174 AromaticContact CE1-CD1 3.69Å; F170-F174 HydrophobicContact CE1-CD1 3.69Å; F170-F174 AromaticContact CE1-CD2 3.77Å; F170-F174 HydrophobicContact CE1-CD2 3.77Å; F170-F174 HydrophobicContact CE1-CE1 4.42Å; F170-F174 HydrophobicContact CE1-CE2 4.5Å; F170-F174 AromaticContact CE1-CG 3.31Å; F170-F174 HydrophobicContact CE1-CG 3.31Å; F170-F174 HydrophobicContact CE2-CB 4.27Å; F170-F174 HydrophobicContact CG-CB 4.23Å; F170-F174 HydrophobicContact CZ-CB 3.68Å; F170-F174 AromaticContact CZ-CD2 3.82Å; F170-F174 HydrophobicContact CZ-CD2 3.82Å; F170-F174 AromaticContact CZ-CG 3.78Å; F170-F174 HydrophobicContact CZ-CG 3.78Å; F170-F174 WeakPolarHBondContact O-CB 3.27Å; F170-F174 PolarHBondContact O-N 3.02Å
171	L	92.1	Very high	93.1	Very high	54 Å²	54	52.7 Å²	52.7	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-70.2	-11.5	-180	-61.6	175	0	0	0	113.5	S168 E169 I173 K175	S168-L171 WeakPolarHBondContact O-CB 3.23Å; S168-L171 PolarHBondContact O-N 2.65Å; S168-L171 VanDerWaalsContact O-N 3.1Å; E169-L171 PolarHBondContact O-N 2.58Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-K175 PolarHBondContact O-NZ 3.11Å
172	K	91.3	Very high	93	Very high	134 Å²	134	57 Å²	57	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-71.5	-32.4	170.5	-62.1	-174.8	-177.2	171	0	111.5	E169 F170	E169-K172 VanDerWaalsContact CD-CE 3.45Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 3.17Å; E169-K172 VanDerWaalsContact O-N 3.09Å; E169-K172 WeakPolarHBondContact OE1-CE 3.45Å; E169-K172 IonicContact OE1-NZ 3.96Å; E169-K172 PolarHBondContact OE1-NZ 3.13Å; E169-K172 VanDerWaalsContact OE2-CD 3.27Å; E169-K172 WeakPolarHBondContact OE2-CD 3.3Å; E169-K172 WeakPolarHBondContact OE2-CE 3.28Å; E169-K172 IonicContact OE2-NZ 3.81Å; E169-K172 PolarHBondContact OE2-NZ 3.3Å; F170-K172 PolarHBondContact O-N 3.08Å
173	I	88.8	Confident	93	Very high	90 Å²	90	57 Å²	57	46%	0.462	30%	0.297	S	S	.	.	H	α-helix	trans	-107.4	-30.9	-175.9	60.5	171.2	0	0	0	113.6	W67 F170 L171	W67-I173 HydrophobicContact CH2-CD1 4.2Å; F170-I173 HydrophobicContact CD2-CD1 4.2Å; F170-I173 HydrophobicContact CD2-CG1 4.31Å; F170-I173 HydrophobicContact CE2-CD1 4.43Å; F170-I173 WeakPolarHBondContact O-CG1 3.49Å; F170-I173 PolarHBondContact O-N 3.02Å; L171-I173 VanDerWaalsContact C-N 3.34Å
174	F	90.6	Very high	93	Very high	13 Å²	13	57.4 Å²	57.4	6%	0.057	30%	0.298	C	S	.	.			trans	-97.4	127.4	178.5	-174.6	-98.7	0	0	0	109.9	F2 F163 F170 P176 A179 F180	F2-F174 HydrophobicContact CB-CD2 4.12Å; F2-F174 AromaticContact CD1-CD2 3.88Å; F2-F174 HydrophobicContact CD1-CD2 3.88Å; F2-F174 HydrophobicContact CD1-CE2 4.05Å; F2-F174 HydrophobicContact CD2-CD2 4.16Å; F2-F174 HydrophobicContact CE1-CD2 4.33Å; F2-F174 HydrophobicContact CE1-CE2 4.34Å; F2-F174 AromaticContact CG-CD2 3.79Å; F2-F174 HydrophobicContact CG-CD2 3.79Å; F2-F174 HydrophobicContact CG-CE2 4.42Å; F163-F174 HydrophobicContact CE1-CE1 4.32Å; F163-F174 HydrophobicContact CE1-CZ 4.38Å; F163-F174 HydrophobicContact CZ-CD1 4.47Å; F163-F174 AromaticContact CZ-CE1 3.91Å; F163-F174 HydrophobicContact CZ-CE1 3.91Å; F163-F174 AromaticContact CZ-CZ 4Å; F163-F174 HydrophobicContact CZ-CZ 4Å; F170-F174 HydrophobicContact CD1-CB 3.64Å; F170-F174 HydrophobicContact CD1-CD1 4.23Å; F170-F174 HydrophobicContact CD1-CG 4.01Å; F170-F174 HydrophobicContact CE1-CB 3.33Å; F170-F174 AromaticContact CE1-CD1 3.69Å; F170-F174 HydrophobicContact CE1-CD1 3.69Å; F170-F174 AromaticContact CE1-CD2 3.77Å; F170-F174 HydrophobicContact CE1-CD2 3.77Å; F170-F174 HydrophobicContact CE1-CE1 4.42Å; F170-F174 HydrophobicContact CE1-CE2 4.5Å; F170-F174 AromaticContact CE1-CG 3.31Å; F170-F174 HydrophobicContact CE1-CG 3.31Å; F170-F174 HydrophobicContact CE2-CB 4.27Å; F170-F174 HydrophobicContact CG-CB 4.23Å; F170-F174 HydrophobicContact CZ-CB 3.68Å; F170-F174 AromaticContact CZ-CD2 3.82Å; F170-F174 HydrophobicContact CZ-CD2 3.82Å; F170-F174 AromaticContact CZ-CG 3.78Å; F170-F174 HydrophobicContact CZ-CG 3.78Å; F170-F174 WeakPolarHBondContact O-CB 3.27Å; F170-F174 PolarHBondContact O-N 3.02Å; F174-P176 HydrophobicContact CD1-CG 4.07Å; F174-P176 HydrophobicContact CE1-CB 4.24Å; F174-P176 HydrophobicContact CE1-CG 3.84Å; F174-A179 HydrophobicContact CD2-CB 4.27Å; F174-A179 HydrophobicContact CE1-CB 4.25Å; F174-A179 HydrophobicContact CE2-CB 3.42Å; F174-A179 VanDerWaalsContact CE2-CB 3.42Å; F174-A179 HydrophobicContact CZ-CB 3.4Å; F174-F180 HydrophobicContact CE1-CE2 4.19Å; F174-F180 AromaticContact CZ-CE2 3.67Å; F174-F180 HydrophobicContact CZ-CE2 3.67Å; F174-F180 AromaticContact CZ-CZ 3.91Å; F174-F180 HydrophobicContact CZ-CZ 3.91Å
175	K	90.9	Very high	93.1	Very high	108 Å²	108	59 Å²	59	47%	0.47	31%	0.308	S	S	.	.			trans	-121.6	100.3	179.4	-60	-58.6	178.2	-165.8	0	108	L171 E177 A178 A179	L171-K175 PolarHBondContact O-NZ 3.11Å; K175-E177 PolarHBondContact O-N 3.34Å; K175-E177 VanDerWaalsContact O-N 3.17Å; K175-A178 HydrophobicContact CB-CB 4.19Å; K175-A178 CarbonylContact O-C 3.51Å; K175-A178 PolarHBondContact O-N 2.95Å; K175-A179 WeakPolarHBondContact O-CB 3.25Å; K175-A179 PolarHBondContact O-N 2.7Å
176	P	88.3	Confident	93.2	Very high	37 Å²	37	59.8 Å²	59.8	24%	0.24	32%	0.32	C	S	.	.	H	α-helix	trans	-50.7	-39.8	-175.9	-27.3	33.4	0	0	0	113.4	F174 A178 A179 F180	F174-P176 HydrophobicContact CD1-CG 4.07Å; F174-P176 HydrophobicContact CE1-CB 4.24Å; F174-P176 HydrophobicContact CE1-CG 3.84Å; P176-A178 PolarHBondContact O-N 3.44Å; P176-A179 PolarHBondContact O-N 3.47Å; P176-A179 VanDerWaalsContact O-N 3.08Å; P176-F180 PolarHBondContact O-N 3.02Å; P176-F180 VanDerWaalsContact O-N 3.12Å
177	E	90	Very high	93.5	Very high	147 Å²	147	55.4 Å²	55.4	69%	0.687	29%	0.29	S	S	*	.	H	α-helix	trans	-66.6	-24.6	-176.8	-51.7	74.2	-158.2	0	0	112.7	W6 K175	W6-E177 PolarHBondContact NE1-O 3.11Å; K175-E177 PolarHBondContact O-N 3.34Å; K175-E177 VanDerWaalsContact O-N 3.17Å
178	A	91.8	Very high	93.7	Very high	21 Å²	21	55.7 Å²	55.7	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-101.4	-15.3	174.9	0	0	0	0	0	112.5	S5 W6 T7 K175 P176	S5-A178 CarbonylContact C-O 3.59Å; S5-A178 WeakPolarHBondContact CA-O 3.43Å; W6-A178 PolarHBondContact N-O 3.02Å; T7-A178 HydrophobicContact CG2-CB 4.32Å; K175-A178 HydrophobicContact CB-CB 4.19Å; K175-A178 CarbonylContact O-C 3.51Å; K175-A178 PolarHBondContact O-N 2.95Å; P176-A178 PolarHBondContact O-N 3.44Å
179	A	91.5	Very high	93.8	Very high	7 Å²	7	56.1 Å²	56.1	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-87.9	-28.6	-176.7	0	0	0	0	0	113.2	F147 F174 K175 P176	F147-A179 VanDerWaalsContact CD2-O 3.26Å; F147-A179 WeakPolarHBondContact CD2-O 3.38Å; F147-A179 WeakPolarHBondContact CE2-O 3.23Å; F174-A179 HydrophobicContact CD2-CB 4.27Å; F174-A179 HydrophobicContact CE1-CB 4.25Å; F174-A179 HydrophobicContact CE2-CB 3.42Å; F174-A179 VanDerWaalsContact CE2-CB 3.42Å; F174-A179 HydrophobicContact CZ-CB 3.4Å; K175-A179 WeakPolarHBondContact O-CB 3.25Å; K175-A179 PolarHBondContact O-N 2.7Å; P176-A179 PolarHBondContact O-N 3.47Å; P176-A179 VanDerWaalsContact O-N 3.08Å
180	F	94.2	Very high	93.9	Very high	16 Å²	16	54.9 Å²	54.9	7%	0.07	29%	0.292	C	S	.	.	S	Bend	trans	-121.6	144.6	-179.1	-56.2	-66.4	0	0	0	110.6	W6 M140 Y159 F163 F174 P176 W184	W6-F180 VanDerWaalsContact CD1-O 3.31Å; W6-F180 PolarHBondContact NE1-O 3.28Å; M140-F180 HydrophobicContact CE-CE1 3.81Å; M140-F180 HydrophobicContact SD-CE1 4.2Å; Y159-F180 HydrophobicContact CD1-CB 4.3Å; Y159-F180 HydrophobicContact CD1-CD1 4.25Å; Y159-F180 HydrophobicContact CD1-CG 4.17Å; Y159-F180 AromaticContact CD2-CD1 3.8Å; Y159-F180 HydrophobicContact CD2-CD1 3.8Å; Y159-F180 AromaticContact CD2-CD2 3.59Å; Y159-F180 HydrophobicContact CD2-CD2 3.59Å; Y159-F180 AromaticContact CD2-CE1 3.71Å; Y159-F180 HydrophobicContact CD2-CE1 3.71Å; Y159-F180 AromaticContact CD2-CE2 3.48Å; Y159-F180 HydrophobicContact CD2-CE2 3.48Å; Y159-F180 VanDerWaalsContact CD2-CE2 3.48Å; Y159-F180 AromaticContact CD2-CG 3.73Å; Y159-F180 HydrophobicContact CD2-CG 3.73Å; Y159-F180 AromaticContact CD2-CZ 3.54Å; Y159-F180 HydrophobicContact CD2-CZ 3.54Å; Y159-F180 HydrophobicContact CE1-CB 3.96Å; Y159-F180 HydrophobicContact CE1-CD2 4.43Å; Y159-F180 HydrophobicContact CE1-CG 4.1Å; Y159-F180 HydrophobicContact CE2-CB 4.31Å; Y159-F180 HydrophobicContact CE2-CD1 4.24Å; Y159-F180 AromaticContact CE2-CD2 3.26Å; Y159-F180 HydrophobicContact CE2-CD2 3.26Å; Y159-F180 HydrophobicContact CE2-CE1 4.4Å; Y159-F180 AromaticContact CE2-CE2 3.44Å; Y159-F180 HydrophobicContact CE2-CE2 3.44Å; Y159-F180 VanDerWaalsContact CE2-CE2 3.44Å; Y159-F180 AromaticContact CE2-CG 3.68Å; Y159-F180 HydrophobicContact CE2-CG 3.68Å; Y159-F180 HydrophobicContact CE2-CZ 4.03Å; Y159-F180 AromaticContact CG-CD1 3.81Å; Y159-F180 HydrophobicContact CG-CD1 3.81Å; Y159-F180 HydrophobicContact CG-CD2 4.32Å; Y159-F180 AromaticContact CG-CE1 3.96Å; Y159-F180 HydrophobicContact CG-CE1 3.96Å; Y159-F180 HydrophobicContact CG-CE2 4.44Å; Y159-F180 AromaticContact CG-CG 3.99Å; Y159-F180 HydrophobicContact CG-CG 3.99Å; Y159-F180 HydrophobicContact CG-CZ 4.26Å; Y159-F180 AromaticContact CZ-CD2 3.73Å; Y159-F180 AromaticContact CZ-CG 3.87Å; F163-F180 HydrophobicContact CE1-CZ 4.44Å; F174-F180 HydrophobicContact CE1-CE2 4.19Å; F174-F180 AromaticContact CZ-CE2 3.67Å; F174-F180 HydrophobicContact CZ-CE2 3.67Å; F174-F180 AromaticContact CZ-CZ 3.91Å; F174-F180 HydrophobicContact CZ-CZ 3.91Å; P176-F180 PolarHBondContact O-N 3.02Å; P176-F180 VanDerWaalsContact O-N 3.12Å; F180-W184 HydrophobicContact CB-CE3 4.17Å; F180-W184 AromaticContact CD1-CE3 3.94Å; F180-W184 HydrophobicContact CD1-CE3 3.94Å; F180-W184 HydrophobicContact CD1-CZ3 4.01Å
181	L	95.3	Very high	94.2	Very high	3 Å²	3	56 Å²	56	2%	0.016	30%	0.298	C	S	.	.			trans	-66.5	143	178.5	-71.4	-179.9	0	0	0	110.6	W6 H10 Y151 E183 W184	W6-L181 HydrophobicContact CB-CD2 3.82Å; W6-L181 HydrophobicContact CD2-CD2 3.7Å; W6-L181 HydrophobicContact CE3-CD2 4.09Å; W6-L181 HydrophobicContact CG-CD2 3.58Å; H10-L181 VanDerWaalsContact CE1-CD2 3.48Å; H10-L181 WeakPolarHBondContact CE1-CD2 3.49Å; Y151-L181 HydrophobicContact CD2-CD1 3.83Å; Y151-L181 HydrophobicContact CD2-CG 4.37Å; Y151-L181 HydrophobicContact CE2-CD1 3.84Å; Y151-L181 HydrophobicContact CE2-CD2 4.19Å; Y151-L181 HydrophobicContact CE2-CG 4.34Å; L181-E183 HydrophobicContact CB-CG 4.34Å; L181-E183 PolarHBondContact O-N 2.83Å; L181-E183 VanDerWaalsContact O-N 3.16Å; L181-W184 HydrophobicContact CB-CD2 3.97Å; L181-W184 HydrophobicContact CB-CG 3.91Å; L181-W184 HydrophobicContact CD1-CZ2 3.92Å; L181-W184 HydrophobicContact CG-CD2 4.48Å; L181-W184 HydrophobicContact CG-CZ2 4.24Å; L181-W184 WeakPolarHBondContact O-CB 3.47Å; L181-W184 PolarHBondContact O-N 3.09Å
182	P	94.9	Very high	94.3	Very high	98 Å²	98	56.1 Å²	56.1	64%	0.636	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.1	-178.3	-25.3	35.1	0	0	0	114.1	W6 W184	W6-P182 HydrophobicContact CH2-CG 4.08Å; W6-P182 HydrophobicContact CZ2-CG 3.66Å; P182-W184 VanDerWaalsContact C-N 3.31Å
183	E	95.6	Very high	94.3	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.1	177.2	65.1	-95.3	-144.4	0	0	114.4	R13 L181	R13-E183 IonicContact NH1-OE1 3.54Å; L181-E183 HydrophobicContact CB-CG 4.34Å; L181-E183 PolarHBondContact O-N 2.83Å; L181-E183 VanDerWaalsContact O-N 3.16Å
184	W	97.6	Very high	94.3	Very high	17 Å²	17	49.2 Å²	49.2	6%	0.064	28%	0.277	C	S	.	.	S	Bend	trans	-80.9	151.2	179.9	-67.1	0.1	0	0	0	112.3	M140 F147 A150 T157 Y159 F180 L181 P182	M140-W184 HydrophobicContact SD-CZ3 3.88Å; F147-W184 AromaticContact CD2-CH2 3.71Å; F147-W184 HydrophobicContact CD2-CH2 3.71Å; F147-W184 AromaticContact CD2-CZ3 3.63Å; F147-W184 HydrophobicContact CD2-CZ3 3.63Å; F147-W184 AromaticContact CE2-CH2 3.8Å; F147-W184 HydrophobicContact CE2-CH2 3.8Å; F147-W184 AromaticContact CE2-CZ3 3.91Å; F147-W184 HydrophobicContact CE2-CZ3 3.91Å; F147-W184 HydrophobicContact CG-CH2 4.42Å; A150-W184 HydrophobicContact CB-CH2 3.61Å; A150-W184 HydrophobicContact CB-CZ2 3.82Å; A150-W184 HydrophobicContact CB-CZ3 4.28Å; T157-W184 HydrophobicContact CG2-CD2 3.63Å; T157-W184 HydrophobicContact CG2-CE3 3.72Å; T157-W184 HydrophobicContact CG2-CG 4.06Å; T157-W184 HydrophobicContact CG2-CH2 4.36Å; T157-W184 HydrophobicContact CG2-CZ2 4.27Å; T157-W184 HydrophobicContact CG2-CZ3 4.08Å; Y159-W184 HydrophobicContact CD1-CB 3.86Å; Y159-W184 HydrophobicContact CD1-CE3 4.45Å; Y159-W184 HydrophobicContact CE1-CB 3.98Å; F180-W184 HydrophobicContact CB-CE3 4.17Å; F180-W184 AromaticContact CD1-CE3 3.94Å; F180-W184 HydrophobicContact CD1-CE3 3.94Å; F180-W184 HydrophobicContact CD1-CZ3 4.01Å; L181-W184 HydrophobicContact CB-CD2 3.97Å; L181-W184 HydrophobicContact CB-CG 3.91Å; L181-W184 HydrophobicContact CD1-CZ2 3.92Å; L181-W184 HydrophobicContact CG-CD2 4.48Å; L181-W184 HydrophobicContact CG-CZ2 4.24Å; L181-W184 WeakPolarHBondContact O-CB 3.47Å; L181-W184 PolarHBondContact O-N 3.09Å; P182-W184 VanDerWaalsContact C-N 3.31Å
185	V	98.4	Very high	93.9	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.291	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.3	-177.1	-180	0	0	0	0	110.3	W83 T157 V158 Y159	W83-V185 HydrophobicContact CH2-CG2 4.45Å; W83-V185 HydrophobicContact CZ2-CG2 3.74Å; T157-V185 PolarHBondContact O-N 3.09Å; V158-V185 CarbonylContact C-O 3.5Å; V158-V185 VanDerWaalsContact CA-O 3.27Å; V158-V185 WeakPolarHBondContact CA-O 3.34Å; V158-V185 HydrophobicContact CG2-CB 4.28Å; Y159-V185 VanDerWaalsContact CD1-O 3.28Å; Y159-V185 WeakPolarHBondContact CD1-O 3.46Å; Y159-V185 VanDerWaalsContact CE1-C 3.5Å; Y159-V185 PolarHBondContact N-O 2.99Å
186	G	98.1	Very high	92.7	Very high	33 Å²	33	55.5 Å²	55.5	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131	174.6	0	0	0	0	0	112.3	Y159	Y159-G186 VanDerWaalsContact CE1-CA 3.42Å; Y159-G186 VanDerWaalsContact CE1-N 3.29Å; Y159-G186 VanDerWaalsContact CZ-CA 3.45Å; Y159-G186 WeakPolarHBondContact O-CA 3.13Å
187	I	98.6	Very high	91.3	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.118	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.4	166.3	-59.6	175.1	0	0	0	108.2	Y76 Q79 A80 V158 Y159 A161	Y76-I187 HydrophobicContact CD2-CB 3.86Å; Y76-I187 HydrophobicContact CD2-CG2 3.87Å; Y76-I187 HydrophobicContact CE2-CB 3.8Å; Y76-I187 HydrophobicContact CE2-CG2 4.34Å; Q79-I187 HydrophobicContact CB-CD1 4.05Å; Q79-I187 HydrophobicContact CB-CG2 4.47Å; A80-I187 HydrophobicContact CB-CD1 4.12Å; V158-I187 HydrophobicContact CG1-CD1 3.6Å; V158-I187 HydrophobicContact CG1-CG1 3.93Å; Y159-I187 PolarHBondContact O-N 3.18Å; A161-I187 PolarHBondContact N-O 2.97Å
188	N	98.2	Very high	89.5	Confident	101 Å²	101	56.8 Å²	56.8	54%	0.54	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.3	-176.9	-66.7	-23.2	0	0	0	111.6	A161 N162	A161-N188 CarbonylContact O-C 3.45Å; A161-N188 WeakPolarHBondContact O-CA 3.15Å; N162-N188 PolarHBondContact ND2-OD1 3.32Å
189	A	97.8	Very high	87.1	Confident	14 Å²	14	63.9 Å²	63.9	12%	0.116	36%	0.356	C	S	.	.			trans	-69	152.5	170.5	0	0	0	0	0	111.8	V70 L160 A161 F163 L191	V70-A189 HydrophobicContact CG2-CB 3.53Å; L160-A189 HydrophobicContact CD1-CB 3.66Å; L160-A189 HydrophobicContact CD2-CB 4.17Å; L160-A189 HydrophobicContact CG-CB 3.95Å; A161-A189 PolarHBondContact O-N 3.49Å; F163-A189 HydrophobicContact CB-CB 3.95Å; A189-L191 PolarHBondContact O-N 3.23Å
190	D	96.9	Very high	85.2	Confident	78 Å²	78	73 Å²	73	42%	0.417	42%	0.415	S	S	.	.			trans	-79.8	115	165.6	-178	18.2	0	0	0	110.6	S192 P193	D190-S192 VanDerWaalsContact CG-OG 3.27Å; D190-S192 WeakPolarHBondContact OD1-CB 3.27Å; D190-S192 PolarHBondContact OD1-N 3.21Å; D190-S192 PolarHBondContact OD1-OG 2.82Å; D190-S192 WeakPolarHBondContact OD2-CB 3.34Å; D190-S192 PolarHBondContact OD2-OG 2.73Å; D190-P193 WeakPolarHBondContact O-CD 3.33Å
191	L	96.7	Very high	84.7	Confident	34 Å²	34	75.9 Å²	75.9	18%	0.178	43%	0.432	C	S	.	.			trans	-90.6	-1.3	177.9	-58.8	177.8	0	0	0	112.8	V70 L165 A189 P193 L194	V70-L191 HydrophobicContact CG1-CD2 4.17Å; V70-L191 HydrophobicContact CG2-CD2 3.82Å; L165-L191 HydrophobicContact CD2-CB 4.39Å; L165-L191 HydrophobicContact CD2-CD1 4.19Å; A189-L191 PolarHBondContact O-N 3.23Å; L191-P193 VanDerWaalsContact C-N 3.27Å; L191-P193 VanDerWaalsContact O-N 3.16Å; L191-L194 HydrophobicContact CD2-CD1 4.23Å; L191-L194 PolarHBondContact O-N 3.18Å; L191-L194 VanDerWaalsContact O-N 3.08Å
192	S	94	Very high	84.2	Confident	58 Å²	58	79.7 Å²	79.7	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-47.3	-39.5	178.5	80	0	0	0	0	114.7	D190 L194 W195 T196	D190-S192 VanDerWaalsContact CG-OG 3.27Å; D190-S192 WeakPolarHBondContact OD1-CB 3.27Å; D190-S192 PolarHBondContact OD1-N 3.21Å; D190-S192 PolarHBondContact OD1-OG 2.82Å; D190-S192 WeakPolarHBondContact OD2-CB 3.34Å; D190-S192 PolarHBondContact OD2-OG 2.73Å; S192-L194 PolarHBondContact O-N 2.83Å; S192-W195 PolarHBondContact O-N 2.77Å; S192-T196 PolarHBondContact O-OG1 2.62Å
193	P	92.3	Very high	83.6	Confident	61 Å²	61	78.7 Å²	78.7	40%	0.396	44%	0.444	S	S	.	.	H	α-helix	trans	-64.8	-24	-178.1	-23.9	36.9	0	0	0	114.5	D190 L191 T196	D190-P193 WeakPolarHBondContact O-CD 3.33Å; L191-P193 VanDerWaalsContact C-N 3.27Å; L191-P193 VanDerWaalsContact O-N 3.16Å; P193-T196 VanDerWaalsContact C-OG1 3.32Å; P193-T196 WeakPolarHBondContact CA-OG1 3.17Å; P193-T196 PolarHBondContact O-OG1 3.09Å
194	L	89.6	Confident	82.9	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.089	44%	0.443	C	S	.	.	H	α-helix	trans	-77.4	-29.5	179.8	-61.1	177.9	0	0	0	112.2	P64 K68 V70 L165 L191 S192 L197	P64-L194 HydrophobicContact CB-CD2 4.01Å; K68-L194 VanDerWaalsContact C-CD1 3.47Å; K68-L194 VanDerWaalsContact O-CD1 3.25Å; K68-L194 WeakPolarHBondContact O-CD1 3.43Å; V70-L194 HydrophobicContact CG1-CD1 3.88Å; V70-L194 HydrophobicContact CG1-CD2 4.19Å; V70-L194 HydrophobicContact CG1-CG 3.73Å; L165-L194 HydrophobicContact CD1-CD1 4.45Å; L165-L194 HydrophobicContact CD2-CD1 4.03Å; L165-L194 HydrophobicContact CG-CD1 3.86Å; L191-L194 HydrophobicContact CD2-CD1 4.23Å; L191-L194 PolarHBondContact O-N 3.18Å; L191-L194 VanDerWaalsContact O-N 3.08Å; S192-L194 PolarHBondContact O-N 2.83Å; L194-L197 PolarHBondContact O-N 3.06Å
195	W	80.6	Confident	82	Confident	150 Å²	150	81.3 Å²	81.3	57%	0.568	47%	0.467	S	S	*	.	H	α-helix	trans	-76.1	-26.7	179.3	-54.1	118.9	0	0	0	112.3	L165 S192	L165-W195 HydrophobicContact CD1-CH2 4.06Å; L165-W195 HydrophobicContact CD1-CZ3 4.15Å; L165-W195 HydrophobicContact CD2-CH2 3.55Å; L165-W195 HydrophobicContact CD2-CZ2 3.27Å; L165-W195 HydrophobicContact CD2-CZ3 4.29Å; L165-W195 HydrophobicContact CG-CH2 4.39Å; S192-W195 PolarHBondContact O-N 2.77Å
196	T	66.6	Low	80.9	Confident	104 Å²	104	83.5 Å²	83.5	64%	0.638	48%	0.478	S	S	*	.	H	α-helix	trans	-72.7	-29.7	173.6	33.1	0	0	0	0	113.4	S192 P193 A198	S192-T196 PolarHBondContact O-OG1 2.62Å; P193-T196 VanDerWaalsContact C-OG1 3.32Å; P193-T196 WeakPolarHBondContact CA-OG1 3.17Å; P193-T196 PolarHBondContact O-OG1 3.09Å; T196-A198 VanDerWaalsContact C-N 3.3Å
197	L	57.8	Low	79.6	Confident	133 Å²	133	87.1 Å²	87.1	70%	0.696	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.3	176.5	-71.3	164.7	0	0	0	113.3	L194	L194-L197 PolarHBondContact O-N 3.06Å
198	A	53.4	Low	78.2	Confident	78 Å²	78	92 Å²	92	65%	0.645	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	2.1	-178.8	0	0	0	0	0	113.8	T196	T196-A198 VanDerWaalsContact C-N 3.3Å
199	K	41.7	Very low	76.5	Confident	169 Å²	169	91.3 Å²	91.3	74%	0.735	52%	0.515	S	S	*	.			trans	-88.2	133.6	171	-72.8	-174	178.6	-179.8	0	109.4
200	P	50.9	Low	74.6	Confident	199 Å²	199	98.3 Å²	98.3	100%	1.292	55%	0.551	S	S	*	*			trans	-63.2	0	-177.9	27.3	-34.5	0	0	0	113

Retrieved 200 of 200 residues in 241.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).