Y1610_STAA8 Loading...

Bacilliredoxin SAOUHSC_01610

AlphaFold DB , UniProt , Accession Q2FY55, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 145 aa.

						>Y1610_STAA8|Q2FY55
MDMNFDLYMNGVVEQARNEIESAGYEQLTTAEDVDKVLKQDGTTLVMINSVCGCAGGIARPAASHALHYDVLPDRLVTVFAGQDKEATQRAREYFEGYAPSSPSFALVKDGKITEMIERHQIEGHDVMNVINQLQTLFNKYCEER
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.9	Low	78.3	Confident	223 Å²	223	120.2 Å²	120.2	100%	1.099	61%	0.611	S	S	*	*				0	-19	0	-85.9	173.6	178	0	0	111.6
2	D	69.2	Low	79.4	Confident	124 Å²	124	113.5 Å²	113.5	66%	0.663	58%	0.58	S	S	*	*	H	α-helix	trans	-65.6	-46.7	177.9	-63.2	-56.7	0	0	0	115.2	N4 F5 D6	D2-N4 PolarHBondContact O-N 3.34Å; D2-N4 VanDerWaalsContact O-N 3.09Å; D2-F5 WeakPolarHBondContact O-CB 3.43Å; D2-F5 PolarHBondContact O-N 2.69Å; D2-D6 PolarHBondContact O-N 3.16Å
3	M	72.8	Confident	80.6	Confident	157 Å²	157	105.5 Å²	105.5	77%	0.773	54%	0.54	S	S	*	.	H	α-helix	trans	-58.6	-32.1	-176.1	-70.4	-171	-67.1	0	0	114.4	L7	M3-L7 WeakPolarHBondContact O-CB 3.37Å; M3-L7 WeakPolarHBondContact O-CD1 3.36Å; M3-L7 VanDerWaalsContact O-CG 3.27Å; M3-L7 WeakPolarHBondContact O-CG 3.44Å; M3-L7 PolarHBondContact O-N 3.13Å; M3-L7 VanDerWaalsContact O-N 3.17Å
4	N	77.9	Confident	81.6	Confident	126 Å²	126	105.3 Å²	105.3	67%	0.674	54%	0.536	S	S	*	.	H	α-helix	trans	-77.3	-31.6	-180	-156.3	26.2	0	0	0	111.7	D2 Y8	D2-N4 PolarHBondContact O-N 3.34Å; D2-N4 VanDerWaalsContact O-N 3.09Å; N4-Y8 WeakPolarHBondContact O-CB 3.34Å; N4-Y8 PolarHBondContact O-N 2.96Å; N4-Y8 VanDerWaalsContact O-N 3.15Å
5	F	77.1	Confident	82.5	Confident	127 Å²	127	105.5 Å²	105.5	56%	0.557	53%	0.534	S	S	*	.	H	α-helix	trans	-70.9	-43.7	174.8	-179.3	-99.8	0	0	0	110.9	D2 L7 Y8 M9	D2-F5 WeakPolarHBondContact O-CB 3.43Å; D2-F5 PolarHBondContact O-N 2.69Å; F5-L7 PolarHBondContact O-N 3.26Å; F5-Y8 PolarHBondContact O-N 3.18Å; F5-M9 HydrophobicContact CD1-CG 4.1Å; F5-M9 HydrophobicContact CD2-CG 4.4Å; F5-M9 HydrophobicContact CE1-CG 3.63Å; F5-M9 HydrophobicContact CE2-CG 3.96Å; F5-M9 HydrophobicContact CE2-SD 4.27Å; F5-M9 HydrophobicContact CG-CG 4.48Å; F5-M9 HydrophobicContact CZ-CG 3.55Å; F5-M9 HydrophobicContact CZ-SD 4.02Å; F5-M9 WeakPolarHBondContact O-CB 3.2Å; F5-M9 WeakPolarHBondContact O-CG 3.44Å; F5-M9 PolarHBondContact O-N 3.5Å
6	D	77.5	Confident	83.3	Confident	86 Å²	86	99 Å²	99	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-44.8	177.3	-64.8	-27.6	0	0	0	111.4	D2 Y8 M9 N10	D2-D6 PolarHBondContact O-N 3.16Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 3.14Å; D6-M9 PolarHBondContact O-N 3.42Å; D6-N10 VanDerWaalsContact O-CB 3.31Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; D6-N10 PolarHBondContact O-N 3.35Å; D6-N10 PolarHBondContact O-ND2 3.18Å
7	L	81.2	Confident	84.1	Confident	122 Å²	122	95 Å²	95	64%	0.639	48%	0.479	S	S	*	.	H	α-helix	trans	-60.3	-42.6	175.4	-76.6	168.4	0	0	0	112.4	M3 F5 G11	M3-L7 WeakPolarHBondContact O-CB 3.37Å; M3-L7 WeakPolarHBondContact O-CD1 3.36Å; M3-L7 VanDerWaalsContact O-CG 3.27Å; M3-L7 WeakPolarHBondContact O-CG 3.44Å; M3-L7 PolarHBondContact O-N 3.13Å; M3-L7 VanDerWaalsContact O-N 3.17Å; F5-L7 PolarHBondContact O-N 3.26Å; L7-G11 PolarHBondContact O-N 3.09Å
8	Y	82.2	Confident	84.8	Confident	162 Å²	162	94.3 Å²	94.3	64%	0.635	48%	0.477	S	S	*	.	H	α-helix	trans	-64.8	-48.2	177.4	176.7	-99.6	0	0	0	111.7	N4 F5 D6 N10 G11 V12	N4-Y8 WeakPolarHBondContact O-CB 3.34Å; N4-Y8 PolarHBondContact O-N 2.96Å; N4-Y8 VanDerWaalsContact O-N 3.15Å; F5-Y8 PolarHBondContact O-N 3.18Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 3.14Å; Y8-N10 VanDerWaalsContact C-N 3.34Å; Y8-N10 PolarHBondContact O-N 3.24Å; Y8-G11 PolarHBondContact O-N 2.81Å; Y8-G11 VanDerWaalsContact O-N 3.12Å; Y8-V12 HydrophobicContact CD1-CG2 4.44Å; Y8-V12 HydrophobicContact CE1-CG2 3.98Å; Y8-V12 HydrophobicContact CE2-CG2 4.48Å; Y8-V12 PolarHBondContact O-N 2.79Å
9	M	85.4	Confident	85.4	Confident	55 Å²	55	92.9 Å²	92.9	27%	0.271	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-39.8	179.9	-74.4	-55.3	-55.4	0	0	111.9	F5 D6 G11 V12 V13	F5-M9 HydrophobicContact CD1-CG 4.1Å; F5-M9 HydrophobicContact CD2-CG 4.4Å; F5-M9 HydrophobicContact CE1-CG 3.63Å; F5-M9 HydrophobicContact CE2-CG 3.96Å; F5-M9 HydrophobicContact CE2-SD 4.27Å; F5-M9 HydrophobicContact CG-CG 4.48Å; F5-M9 HydrophobicContact CZ-CG 3.55Å; F5-M9 HydrophobicContact CZ-SD 4.02Å; F5-M9 WeakPolarHBondContact O-CB 3.2Å; F5-M9 WeakPolarHBondContact O-CG 3.44Å; F5-M9 PolarHBondContact O-N 3.5Å; D6-M9 PolarHBondContact O-N 3.42Å; M9-G11 VanDerWaalsContact C-N 3.3Å; M9-G11 PolarHBondContact O-N 3.44Å; M9-V12 PolarHBondContact O-N 3.06Å; M9-V13 WeakPolarHBondContact O-CG2 3.48Å; M9-V13 PolarHBondContact O-N 2.96Å
10	N	86.2	Confident	86	Confident	99 Å²	99	88.3 Å²	88.3	53%	0.529	45%	0.445	S	S	.	.	H	α-helix	trans	-59.6	-42.6	172.9	-72.2	-18.6	0	0	0	111	D6 Y8 V12 V13 E14	D6-N10 VanDerWaalsContact O-CB 3.31Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; D6-N10 PolarHBondContact O-N 3.35Å; D6-N10 PolarHBondContact O-ND2 3.18Å; Y8-N10 VanDerWaalsContact C-N 3.34Å; Y8-N10 PolarHBondContact O-N 3.24Å; N10-V12 VanDerWaalsContact C-N 3.35Å; N10-V12 PolarHBondContact O-N 3.11Å; N10-V13 PolarHBondContact O-N 3.01Å; N10-E14 WeakPolarHBondContact O-CB 3.37Å; N10-E14 WeakPolarHBondContact O-CG 3.46Å; N10-E14 PolarHBondContact O-N 2.76Å
11	G	90.4	Very high	86.5	Confident	41 Å²	41	89 Å²	89	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-42.6	174.8	0	0	0	0	0	113.5	L7 Y8 M9 Q15	L7-G11 PolarHBondContact O-N 3.09Å; Y8-G11 PolarHBondContact O-N 2.81Å; Y8-G11 VanDerWaalsContact O-N 3.12Å; M9-G11 VanDerWaalsContact C-N 3.3Å; M9-G11 PolarHBondContact O-N 3.44Å; G11-Q15 WeakPolarHBondContact O-CB 3.23Å; G11-Q15 PolarHBondContact O-N 3.46Å
12	V	91.5	Very high	88.2	Confident	40 Å²	40	83.4 Å²	83.4	24%	0.242	43%	0.43	C	S	.	.	H	α-helix	trans	-66.1	-40.8	177.1	175	0	0	0	0	111.7	Y8 M9 N10 A16 V51	Y8-V12 HydrophobicContact CD1-CG2 4.44Å; Y8-V12 HydrophobicContact CE1-CG2 3.98Å; Y8-V12 HydrophobicContact CE2-CG2 4.48Å; Y8-V12 PolarHBondContact O-N 2.79Å; M9-V12 PolarHBondContact O-N 3.06Å; N10-V12 VanDerWaalsContact C-N 3.35Å; N10-V12 PolarHBondContact O-N 3.11Å; V12-A16 WeakPolarHBondContact O-CB 3.42Å; V12-A16 PolarHBondContact O-N 2.77Å; V12-V51 HydrophobicContact CG1-CB 4.4Å; V12-V51 HydrophobicContact CG1-CG1 4.37Å
13	V	94.9	Very high	89.4	Confident	10 Å²	10	78 Å²	78	6%	0.061	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-48.9	177.6	170.3	0	0	0	0	110.6	M9 N10 Q15 A16 R17 V51 F80 Q83	M9-V13 WeakPolarHBondContact O-CG2 3.48Å; M9-V13 PolarHBondContact O-N 2.96Å; N10-V13 PolarHBondContact O-N 3.01Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-A16 PolarHBondContact O-N 2.87Å; V13-A16 VanDerWaalsContact O-N 3.16Å; V13-R17 WeakPolarHBondContact O-CG 3.45Å; V13-R17 PolarHBondContact O-N 2.82Å; V13-V51 HydrophobicContact CG2-CG1 3.81Å; V13-F80 HydrophobicContact CG1-CE2 3.91Å; V13-F80 HydrophobicContact CG1-CZ 4.35Å; V13-Q83 HydrophobicContact CG1-CG 4.04Å; V13-Q83 HydrophobicContact CG2-CG 4.1Å
14	E	94.9	Very high	90.6	Very high	102 Å²	102	73 Å²	73	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-60.6	-43.6	178	-72.8	-58.2	124.7	0	0	111.5	N10 A16 R17 N18	N10-E14 WeakPolarHBondContact O-CB 3.37Å; N10-E14 WeakPolarHBondContact O-CG 3.46Å; N10-E14 PolarHBondContact O-N 2.76Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.26Å; E14-N18 WeakPolarHBondContact O-CB 3.38Å; E14-N18 PolarHBondContact O-N 2.75Å; E14-N18 PolarHBondContact O-ND2 2.87Å
15	Q	95	Very high	91.5	Very high	109 Å²	109	67.1 Å²	67.1	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-46.6	174.2	-178.5	-180	-15.8	0	0	111.5	G11 V13 R17 N18 E19	G11-Q15 WeakPolarHBondContact O-CB 3.23Å; G11-Q15 PolarHBondContact O-N 3.46Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 2.98Å; Q15-R17 VanDerWaalsContact C-N 3.29Å; Q15-R17 PolarHBondContact O-N 2.85Å; Q15-N18 PolarHBondContact O-N 2.82Å; Q15-E19 HydrophobicContact CG-CG 4.37Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.42Å; Q15-E19 PolarHBondContact NE2-OE1 3.03Å; Q15-E19 WeakPolarHBondContact O-CB 3.46Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.35Å; Q15-E19 PolarHBondContact O-N 3.01Å
16	A	95.8	Very high	92.5	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-30.9	179.9	0	0	0	0	0	113.4	V12 V13 E14 N49 R60 F80	V12-A16 WeakPolarHBondContact O-CB 3.42Å; V12-A16 PolarHBondContact O-N 2.77Å; V13-A16 PolarHBondContact O-N 2.87Å; V13-A16 VanDerWaalsContact O-N 3.16Å; E14-A16 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.88Å; A16-N49 PolarHBondContact O-ND2 3.34Å; A16-R60 WeakPolarHBondContact O-CD 3.31Å; A16-F80 HydrophobicContact CB-CE2 3.87Å; A16-F80 HydrophobicContact CB-CZ 3.72Å
17	R	97.1	Very high	93.5	Very high	31 Å²	31	64.5 Å²	64.5	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-51.7	171.5	-73.8	-173.2	-175.4	-76.1	2.7	111	V13 E14 Q15 E19 I20 E21 Q27 F80 D84	V13-R17 WeakPolarHBondContact O-CG 3.45Å; V13-R17 PolarHBondContact O-N 2.82Å; E14-R17 PolarHBondContact O-N 3.26Å; Q15-R17 VanDerWaalsContact C-N 3.29Å; Q15-R17 PolarHBondContact O-N 2.85Å; R17-E19 VanDerWaalsContact C-N 3.3Å; R17-E19 PolarHBondContact O-N 3.35Å; R17-I20 VanDerWaalsContact O-CG2 3.28Å; R17-I20 WeakPolarHBondContact O-CG2 3.34Å; R17-I20 PolarHBondContact O-N 3.4Å; R17-E21 WeakPolarHBondContact O-CB 3.12Å; R17-E21 PolarHBondContact O-N 2.98Å; R17-Q27 VanDerWaalsContact CD-OE1 3.29Å; R17-F80 HydrophobicContact CG-CD2 3.72Å; R17-F80 HydrophobicContact CG-CE2 3.79Å; R17-D84 IonicContact CZ-OD1 3.33Å; R17-D84 IonicContact CZ-OD2 3.17Å; R17-D84 IonicContact NH1-OD1 2.79Å; R17-D84 IonicContact NH1-OD2 2.66Å; R17-D84 PolarHBondContact NH1-OD2 2.9Å; R17-D84 IonicContact NH2-OD1 2.93Å; R17-D84 PolarHBondContact NH2-OD1 2.78Å; R17-D84 IonicContact NH2-OD2 2.81Å; R17-D84 PolarHBondContact NH2-OD2 2.86Å
18	N	96.5	Very high	94.4	Very high	83 Å²	83	58.8 Å²	58.8	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-39.5	-178.6	-70.4	-33.2	0	0	0	112.4	E14 Q15 I20 S22	E14-N18 WeakPolarHBondContact O-CB 3.38Å; E14-N18 PolarHBondContact O-N 2.75Å; E14-N18 PolarHBondContact O-ND2 2.87Å; Q15-N18 PolarHBondContact O-N 2.82Å; N18-I20 PolarHBondContact O-N 2.92Å; N18-S22 WeakPolarHBondContact O-CB 3.27Å; N18-S22 PolarHBondContact O-N 2.85Å; N18-S22 PolarHBondContact O-OG 2.72Å
19	E	96.2	Very high	95.1	Very high	67 Å²	67	54.2 Å²	54.2	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-44	178	-78.8	172.1	-175.5	0	0	112.3	Q15 R17 A23 R60	Q15-E19 HydrophobicContact CG-CG 4.37Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.42Å; Q15-E19 PolarHBondContact NE2-OE1 3.03Å; Q15-E19 WeakPolarHBondContact O-CB 3.46Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.35Å; Q15-E19 PolarHBondContact O-N 3.01Å; R17-E19 VanDerWaalsContact C-N 3.3Å; R17-E19 PolarHBondContact O-N 3.35Å; E19-A23 PolarHBondContact O-N 3.32Å; E19-R60 IonicContact OE2-CZ 2.71Å; E19-R60 IonicContact OE2-NE 3.54Å; E19-R60 PolarHBondContact OE2-NE 3.46Å; E19-R60 IonicContact OE2-NH2 3.64Å; E19-R60 PolarHBondContact OE2-NH2 2.76Å
20	I	97.2	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-82.4	-32.9	-176.9	-163.4	52.9	0	0	0	112.3	R17 N18 A23 Y25 M47 R60 A63 T78	R17-I20 VanDerWaalsContact O-CG2 3.28Å; R17-I20 WeakPolarHBondContact O-CG2 3.34Å; R17-I20 PolarHBondContact O-N 3.4Å; N18-I20 PolarHBondContact O-N 2.92Å; I20-A23 HydrophobicContact CD1-CB 4.27Å; I20-A23 WeakPolarHBondContact O-CB 3.41Å; I20-A23 PolarHBondContact O-N 3.26Å; I20-Y25 HydrophobicContact CD1-CD1 4.29Å; I20-Y25 HydrophobicContact CD1-CD2 3.45Å; I20-Y25 VanDerWaalsContact CD1-CD2 3.45Å; I20-Y25 HydrophobicContact CD1-CE2 3.76Å; I20-Y25 HydrophobicContact CD1-CG 3.76Å; I20-Y25 HydrophobicContact CG1-CD1 4.43Å; I20-Y25 HydrophobicContact CG1-CD2 4.01Å; I20-Y25 HydrophobicContact CG1-CG 3.86Å; I20-Y25 WeakPolarHBondContact O-CB 3.44Å; I20-Y25 PolarHBondContact O-N 3.39Å; I20-M47 HydrophobicContact CD1-SD 3.26Å; I20-M47 WeakPolarHBondContact CD1-SD 3.27Å; I20-M47 HydrophobicContact CG1-SD 3.64Å; I20-R60 HydrophobicContact CB-CG 4.49Å; I20-A63 HydrophobicContact CD1-CB 3.7Å; I20-T78 HydrophobicContact CG1-CG2 4.35Å; I20-T78 HydrophobicContact CG2-CG2 3.83Å
21	E	96.7	Very high	96.3	Very high	104 Å²	104	50.8 Å²	50.8	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-41.8	172.6	-175.9	170.9	-173.6	0	0	111.3	R17 A23 G24 Q27	R17-E21 WeakPolarHBondContact O-CB 3.12Å; R17-E21 PolarHBondContact O-N 2.98Å; E21-A23 PolarHBondContact O-N 2.93Å; E21-G24 WeakPolarHBondContact O-CA 3.21Å; E21-G24 PolarHBondContact O-N 3.5Å; E21-Q27 PolarHBondContact OE2-NE2 2.98Å
22	S	96	Very high	96.7	Very high	106 Å²	106	56.3 Å²	56.3	74%	0.741	31%	0.309	S	S	*	.	H	α-helix	trans	-64.1	-22.5	173.9	-59.2	0	0	0	0	112.7	N18 G24	N18-S22 WeakPolarHBondContact O-CB 3.27Å; N18-S22 PolarHBondContact O-N 2.85Å; N18-S22 PolarHBondContact O-OG 2.72Å; S22-G24 PolarHBondContact O-N 3.09Å
23	A	95.7	Very high	97	Very high	11 Å²	11	57 Å²	57	9%	0.091	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.2	171.9	0	0	0	0	0	113.2	E19 I20 E21 Y25 L67	E19-A23 PolarHBondContact O-N 3.32Å; I20-A23 HydrophobicContact CD1-CB 4.27Å; I20-A23 WeakPolarHBondContact O-CB 3.41Å; I20-A23 PolarHBondContact O-N 3.26Å; E21-A23 PolarHBondContact O-N 2.93Å; A23-Y25 HydrophobicContact CB-CD2 4.05Å; A23-Y25 HydrophobicContact CB-CE2 4.28Å; A23-L67 WeakPolarHBondContact O-CD1 3.44Å
24	G	96.3	Very high	97.2	Very high	51 Å²	51	56.5 Å²	56.5	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	11.9	177	0	0	0	0	0	115.1	E21 S22	E21-G24 WeakPolarHBondContact O-CA 3.21Å; E21-G24 PolarHBondContact O-N 3.5Å; S22-G24 PolarHBondContact O-N 3.09Å
25	Y	98.3	Very high	97.3	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.012	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-89.7	130.9	177.8	-69.7	-111.1	0	0	0	111.4	I20 A23 L45 M47 A63 L67 L76 V77	I20-Y25 HydrophobicContact CD1-CD1 4.29Å; I20-Y25 HydrophobicContact CD1-CD2 3.45Å; I20-Y25 VanDerWaalsContact CD1-CD2 3.45Å; I20-Y25 HydrophobicContact CD1-CE2 3.76Å; I20-Y25 HydrophobicContact CD1-CG 3.76Å; I20-Y25 HydrophobicContact CG1-CD1 4.43Å; I20-Y25 HydrophobicContact CG1-CD2 4.01Å; I20-Y25 HydrophobicContact CG1-CG 3.86Å; I20-Y25 WeakPolarHBondContact O-CB 3.44Å; I20-Y25 PolarHBondContact O-N 3.39Å; A23-Y25 HydrophobicContact CB-CD2 4.05Å; A23-Y25 HydrophobicContact CB-CE2 4.28Å; Y25-L45 HydrophobicContact CE1-CD2 4.14Å; Y25-L45 HydrophobicContact CE1-CG 4.4Å; Y25-L45 WeakPolarHBondContact OH-CD2 3.48Å; Y25-M47 HydrophobicContact CD1-CB 4.17Å; Y25-M47 HydrophobicContact CE1-CB 3.99Å; Y25-A63 HydrophobicContact CE2-CB 3.97Å; Y25-A63 PolarHBondContact OH-O 3.32Å; Y25-L67 HydrophobicContact CE2-CD1 4.15Å; Y25-L76 WeakPolarHBondContact CA-O 3.46Å; Y25-L76 HydrophobicContact CD1-CB 3.84Å; Y25-L76 HydrophobicContact CD2-CB 4.26Å; Y25-L76 HydrophobicContact CE1-CB 4.05Å; Y25-L76 HydrophobicContact CE1-CD2 4.33Å; Y25-L76 HydrophobicContact CE2-CB 4.44Å; Y25-L76 HydrophobicContact CE2-CD1 4.43Å; Y25-L76 HydrophobicContact CG-CB 3.95Å; Y25-V77 WeakPolarHBondContact CD1-O 3.4Å
26	E	98.4	Very high	97.5	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.3	171.1	-178.5	-177.3	179.3	0	0	110.7	L28 L76 V77 T78	E26-L28 HydrophobicContact CG-CD2 4.22Å; E26-L76 PolarHBondContact N-O 3.46Å; E26-V77 HydrophobicContact CB-CG1 4.24Å; E26-V77 CarbonylContact O-C 3.6Å; E26-V77 VanDerWaalsContact O-CA 3.23Å; E26-V77 WeakPolarHBondContact O-CA 3.35Å; E26-T78 PolarHBondContact O-N 3.48Å
27	Q	98.3	Very high	97.6	Very high	47 Å²	47	55 Å²	55	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.8	178.3	-57	-169.7	51.5	0	0	111.1	R17 E21 T29 T78	R17-Q27 VanDerWaalsContact CD-OE1 3.29Å; E21-Q27 PolarHBondContact OE2-NE2 2.98Å; Q27-T29 HydrophobicContact CB-CG2 4.41Å; Q27-T78 HydrophobicContact CB-CG2 4.23Å; Q27-T78 HydrophobicContact CG-CG2 3.84Å
28	L	98.5	Very high	97.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	30%	0.295	C	S	.	.			trans	-98.6	106.9	173	-47.7	-177.3	0	0	0	108.3	E26 D33 V34 V37 V77 T78 V79 A87	E26-L28 HydrophobicContact CG-CD2 4.22Å; L28-D33 HydrophobicContact CB-CB 4.13Å; L28-D33 HydrophobicContact CD2-CB 4.11Å; L28-V34 HydrophobicContact CB-CG2 3.9Å; L28-V34 HydrophobicContact CD1-CG2 4.17Å; L28-V37 HydrophobicContact CD1-CB 4.18Å; L28-V37 HydrophobicContact CD1-CG2 4.41Å; L28-V37 HydrophobicContact CD2-CG2 3.89Å; L28-V77 HydrophobicContact CD1-CB 3.77Å; L28-V77 HydrophobicContact CD1-CG1 4.14Å; L28-V77 HydrophobicContact CD1-CG2 3.79Å; L28-V77 HydrophobicContact CD2-CB 4.42Å; L28-V77 HydrophobicContact CD2-CG1 4.31Å; L28-V77 HydrophobicContact CG-CB 3.95Å; L28-V77 HydrophobicContact CG-CG1 4.36Å; L28-V77 HydrophobicContact CG-CG2 4.48Å; L28-T78 PolarHBondContact N-O 3.02Å; L28-V79 HydrophobicContact CB-CG1 4.08Å; L28-A87 VanDerWaalsContact O-CB 3.3Å; L28-A87 WeakPolarHBondContact O-CB 3.42Å
29	T	97.9	Very high	97.7	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.411	30%	0.299	S	S	.	.			trans	-103	-13.7	-172.1	60.9	0	0	0	0	113.2	Q27	Q27-T29 HydrophobicContact CB-CG2 4.41Å
30	T	98.4	Very high	97.7	Very high	49 Å²	49	56 Å²	56	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-120.6	159.5	176.2	72.3	0	0	0	0	112.3	E32 D33 V34	T30-E32 PolarHBondContact O-N 2.88Å; T30-E32 PolarHBondContact OG1-N 2.79Å; T30-D33 PolarHBondContact N-OD2 3.47Å; T30-D33 PolarHBondContact O-N 2.91Å; T30-D33 PolarHBondContact OG1-N 3.29Å; T30-D33 PolarHBondContact OG1-OD2 2.69Å; T30-V34 WeakPolarHBondContact O-CG2 3.39Å; T30-V34 PolarHBondContact O-N 2.76Å
31	A	98.4	Very high	97.7	Very high	33 Å²	33	62.2 Å²	62.2	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-29.9	172.1	0	0	0	0	0	112.4	V34 D35 R90	A31-V34 PolarHBondContact O-N 2.83Å; A31-D35 PolarHBondContact O-N 2.66Å; A31-R90 HydrophobicContact CB-CB 3.77Å; A31-R90 HydrophobicContact CB-CG 3.91Å
32	E	98.4	Very high	97.7	Very high	157 Å²	157	58.1 Å²	58.1	73%	0.734	32%	0.32	S	S	*	.	H	α-helix	trans	-69.5	-42.5	178.7	-66.5	166.1	175.6	0	0	111.3	T30 V34 D35 K36	T30-E32 PolarHBondContact O-N 2.88Å; T30-E32 PolarHBondContact OG1-N 2.79Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 2.62Å; E32-D35 PolarHBondContact O-N 3.19Å; E32-K36 VanDerWaalsContact O-CB 3.27Å; E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 PolarHBondContact O-N 3.31Å
33	D	98.3	Very high	97.8	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-42.8	174.6	-62.1	-40.2	0	0	0	111.1	L28 T30 D35 K36 V37	L28-D33 HydrophobicContact CB-CB 4.13Å; L28-D33 HydrophobicContact CD2-CB 4.11Å; T30-D33 PolarHBondContact N-OD2 3.47Å; T30-D33 PolarHBondContact O-N 2.91Å; T30-D33 PolarHBondContact OG1-N 3.29Å; T30-D33 PolarHBondContact OG1-OD2 2.69Å; D33-D35 PolarHBondContact O-N 3.27Å; D33-K36 PolarHBondContact O-N 3.29Å; D33-V37 WeakPolarHBondContact O-CG2 3.32Å; D33-V37 PolarHBondContact O-N 3.11Å
34	V	98.7	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-50.6	174.8	172.9	0	0	0	0	110.9	L28 T30 A31 E32 K36 V37 L38 V79 A87 R90 A91 Y94	L28-V34 HydrophobicContact CB-CG2 3.9Å; L28-V34 HydrophobicContact CD1-CG2 4.17Å; T30-V34 WeakPolarHBondContact O-CG2 3.39Å; T30-V34 PolarHBondContact O-N 2.76Å; A31-V34 PolarHBondContact O-N 2.83Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 2.62Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.37Å; V34-V37 PolarHBondContact O-N 3.02Å; V34-L38 HydrophobicContact CG1-CD1 3.67Å; V34-L38 HydrophobicContact CG1-CG 4.14Å; V34-L38 WeakPolarHBondContact O-CB 3.42Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.25Å; V34-V79 HydrophobicContact CG2-CG1 3.94Å; V34-A87 HydrophobicContact CG2-CB 3.97Å; V34-R90 HydrophobicContact CB-CB 4.41Å; V34-R90 HydrophobicContact CB-CG 4.13Å; V34-R90 HydrophobicContact CG1-CB 4.24Å; V34-R90 HydrophobicContact CG1-CG 3.86Å; V34-A91 HydrophobicContact CG1-CB 4Å; V34-A91 HydrophobicContact CG2-CB 4.46Å; V34-Y94 HydrophobicContact CG1-CD2 4.44Å; V34-Y94 HydrophobicContact CG1-CE2 4.19Å
35	D	98.3	Very high	98	Very high	32 Å²	32	50.3 Å²	50.3	17%	0.171	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-39.8	179.1	-92.4	12.6	0	0	0	113.3	A31 E32 D33 V37 K39 R90 Y94	A31-D35 PolarHBondContact O-N 2.66Å; E32-D35 PolarHBondContact O-N 3.19Å; D33-D35 PolarHBondContact O-N 3.27Å; D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.41Å; D35-K39 HydrophobicContact CB-CD 4.48Å; D35-K39 VanDerWaalsContact O-CB 3.27Å; D35-K39 WeakPolarHBondContact O-CB 3.15Å; D35-K39 WeakPolarHBondContact O-CD 3.45Å; D35-K39 WeakPolarHBondContact O-CG 3.28Å; D35-K39 PolarHBondContact O-N 3.14Å; D35-K39 WeakPolarHBondContact OD2-CE 3.35Å; D35-K39 IonicContact OD2-NZ 2.9Å; D35-K39 PolarHBondContact OD2-NZ 3.08Å; D35-R90 IonicContact OD1-CZ 2.66Å; D35-R90 IonicContact OD1-NE 2.88Å; D35-R90 PolarHBondContact OD1-NE 3.33Å; D35-R90 IonicContact OD1-NH2 3.62Å; D35-R90 PolarHBondContact OD1-NH2 2.96Å; D35-R90 IonicContact OD2-CZ 3.64Å; D35-R90 IonicContact OD2-NE 3.11Å; D35-R90 IonicContact OD2-NH2 3.88Å; D35-R90 PolarHBondContact OD2-NH2 3.48Å; D35-Y94 WeakPolarHBondContact OD1-CE2 3.48Å; D35-Y94 PolarHBondContact OD1-OH 3.18Å
36	K	98.1	Very high	98	Very high	144 Å²	144	50.2 Å²	50.2	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-62.4	-37.5	179.1	179.5	-174.7	172.3	-165.4	0	111.4	E32 D33 V34 Q40	E32-K36 VanDerWaalsContact O-CB 3.27Å; E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 PolarHBondContact O-N 3.31Å; D33-K36 PolarHBondContact O-N 3.29Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.37Å; K36-Q40 WeakPolarHBondContact O-CG 3.39Å; K36-Q40 PolarHBondContact O-NE2 3.42Å
37	V	98.3	Very high	98	Very high	5 Å²	5	45 Å²	45	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-88.3	-48.4	-177.8	179.9	0	0	0	0	112.3	L28 D33 V34 D35 K39 Q40 T44 V77	L28-V37 HydrophobicContact CD1-CB 4.18Å; L28-V37 HydrophobicContact CD1-CG2 4.41Å; L28-V37 HydrophobicContact CD2-CG2 3.89Å; D33-V37 WeakPolarHBondContact O-CG2 3.32Å; D33-V37 PolarHBondContact O-N 3.11Å; V34-V37 PolarHBondContact O-N 3.02Å; D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 PolarHBondContact O-N 3.41Å; V37-K39 VanDerWaalsContact C-N 3.27Å; V37-K39 PolarHBondContact O-N 3.11Å; V37-Q40 WeakPolarHBondContact O-CB 3.38Å; V37-Q40 PolarHBondContact O-N 3.31Å; V37-Q40 VanDerWaalsContact O-N 3.14Å; V37-T44 HydrophobicContact CG1-CG2 4.14Å; V37-V77 HydrophobicContact CG1-CG1 3.81Å
38	L	98.2	Very high	98	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-71.1	-20.8	-172.9	-61.8	-170.1	0	0	0	113.5	V34 Q40 T44 V46 Y94 V108 G111	V34-L38 HydrophobicContact CG1-CD1 3.67Å; V34-L38 HydrophobicContact CG1-CG 4.14Å; V34-L38 WeakPolarHBondContact O-CB 3.42Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.25Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-T44 HydrophobicContact CD2-CG2 3.76Å; L38-V46 HydrophobicContact CD1-CG2 4.46Å; L38-V46 HydrophobicContact CD2-CG2 3.58Å; L38-Y94 HydrophobicContact CB-CD1 4.09Å; L38-Y94 HydrophobicContact CB-CD2 4.49Å; L38-Y94 HydrophobicContact CB-CE1 3.94Å; L38-Y94 HydrophobicContact CB-CE2 4.36Å; L38-Y94 HydrophobicContact CB-CG 4.37Å; L38-Y94 HydrophobicContact CD1-CD1 4.39Å; L38-Y94 HydrophobicContact CD1-CD2 3.75Å; L38-Y94 HydrophobicContact CD1-CE2 4.22Å; L38-Y94 HydrophobicContact CD1-CG 3.85Å; L38-V108 HydrophobicContact CD2-CB 4.4Å; L38-V108 HydrophobicContact CD2-CG2 4.27Å; L38-G111 WeakPolarHBondContact O-CA 3.35Å; L38-G111 PolarHBondContact O-N 3.06Å
39	K	97.1	Very high	98	Very high	122 Å²	122	42.7 Å²	42.7	53%	0.53	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.2	173.9	-67.4	176	-172.1	164.2	0	114.2	D35 V37 Y94	D35-K39 HydrophobicContact CB-CD 4.48Å; D35-K39 VanDerWaalsContact O-CB 3.27Å; D35-K39 WeakPolarHBondContact O-CB 3.15Å; D35-K39 WeakPolarHBondContact O-CD 3.45Å; D35-K39 WeakPolarHBondContact O-CG 3.28Å; D35-K39 PolarHBondContact O-N 3.14Å; D35-K39 WeakPolarHBondContact OD2-CE 3.35Å; D35-K39 IonicContact OD2-NZ 2.9Å; D35-K39 PolarHBondContact OD2-NZ 3.08Å; V37-K39 VanDerWaalsContact C-N 3.27Å; V37-K39 PolarHBondContact O-N 3.11Å; K39-Y94 WeakPolarHBondContact CE-OH 3.43Å; K39-Y94 HydrophobicContact CG-CE1 4.39Å; K39-Y94 WeakPolarHBondContact CG-OH 3.39Å
40	Q	96.9	Very high	97.9	Very high	78 Å²	78	39.8 Å²	39.8	36%	0.364	20%	0.204	S	C	.	.	S	Bend	trans	-73.8	148.8	179.7	-67.3	173.7	37.7	0	0	110.9	K36 V37 L38 R75	K36-Q40 WeakPolarHBondContact O-CG 3.39Å; K36-Q40 PolarHBondContact O-NE2 3.42Å; V37-Q40 WeakPolarHBondContact O-CB 3.38Å; V37-Q40 PolarHBondContact O-N 3.31Å; V37-Q40 VanDerWaalsContact O-N 3.14Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; Q40-R75 VanDerWaalsContact CB-CZ 3.45Å; Q40-R75 PolarHBondContact O-NH2 2.94Å; Q40-R75 VanDerWaalsContact O-NH2 3.11Å
41	D	96.6	Very high	97.6	Very high	131 Å²	131	40.3 Å²	40.3	70%	0.701	21%	0.207	S	C	*	.	S	Bend	trans	-62.7	156.7	171.4	-57.8	-32.2	0	0	0	111.2	R75 D110	D41-R75 VanDerWaalsContact O-CZ 3.3Å; D41-R75 PolarHBondContact O-NH1 2.78Å; D41-R75 PolarHBondContact O-NH2 2.9Å; D41-D110 WeakPolarHBondContact CA-OD1 3.3Å
42	G	96.8	Very high	97.2	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	21%	0.205	C	C	.	.	S	Bend	trans	89.2	-168.5	-175.1	0	0	0	0	0	112.8	D74 K109 D110	G42-D74 WeakPolarHBondContact CA-OD2 3.41Å; G42-K109 WeakPolarHBondContact O-CA 3.02Å; G42-D110 PolarHBondContact N-OD1 2.99Å; G42-D110 PolarHBondContact O-N 3.36Å
43	T	97.8	Very high	96.6	Very high	3 Å²	3	36 Å²	36	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.1	-172.2	54.3	0	0	0	0	112	P73 D74 R75 V108 K109 C142	T43-P73 WeakPolarHBondContact OG1-CA 3.4Å; T43-D74 PolarHBondContact N-OD2 2.93Å; T43-D74 WeakPolarHBondContact O-CA 3.45Å; T43-D74 VanDerWaalsContact O-CB 3.31Å; T43-D74 WeakPolarHBondContact O-CB 3.46Å; T43-D74 PolarHBondContact O-N 3.05Å; T43-D74 PolarHBondContact OG1-N 3.06Å; T43-D74 PolarHBondContact OG1-OD2 3.3Å; T43-R75 PolarHBondContact O-N 2.91Å; T43-V108 CarbonylContact C-O 3.45Å; T43-V108 WeakPolarHBondContact CA-O 3.41Å; T43-K109 HydrophobicContact CG2-CB 4.21Å; T43-K109 HydrophobicContact CG2-CD 3.95Å; T43-K109 HydrophobicContact CG2-CG 3.95Å; T43-C142 HydrophobicContact CG2-CB 4.44Å
44	T	98.4	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.5	178.9	-59.8	0	0	0	0	109.3	V37 L38 V46 R75 V77 V108	V37-T44 HydrophobicContact CG1-CG2 4.14Å; L38-T44 HydrophobicContact CD2-CG2 3.76Å; T44-V46 HydrophobicContact CG2-CG2 4.23Å; T44-R75 WeakPolarHBondContact CA-O 3.44Å; T44-R75 HydrophobicContact CG2-CB 3.99Å; T44-R75 PolarHBondContact OG1-NE 2.86Å; T44-R75 PolarHBondContact OG1-NH2 3.33Å; T44-V77 HydrophobicContact CG2-CB 4.49Å; T44-V77 HydrophobicContact CG2-CG1 4.21Å; T44-V77 HydrophobicContact CG2-CG2 3.52Å; T44-V108 PolarHBondContact N-O 3.02Å; T44-V108 PolarHBondContact O-N 2.82Å
45	L	98.5	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.2	170.9	179.8	69.8	0	0	0	109	Y25 P73 R75 L76 V77 F105 L107 L134 F138	Y25-L45 HydrophobicContact CE1-CD2 4.14Å; Y25-L45 HydrophobicContact CE1-CG 4.4Å; Y25-L45 WeakPolarHBondContact OH-CD2 3.48Å; L45-P73 HydrophobicContact CB-CB 3.96Å; L45-P73 HydrophobicContact CB-CG 3.63Å; L45-P73 HydrophobicContact CD2-CG 4.34Å; L45-R75 PolarHBondContact N-O 3.3Å; L45-L76 HydrophobicContact CB-CD2 4.05Å; L45-L76 HydrophobicContact CD2-CD2 4.07Å; L45-V77 PolarHBondContact O-N 3.23Å; L45-F105 HydrophobicContact CD1-CB 4.16Å; L45-F105 HydrophobicContact CD1-CD1 4.45Å; L45-L107 HydrophobicContact CB-CD1 4.21Å; L45-L134 HydrophobicContact CD1-CD2 3.96Å; L45-L134 HydrophobicContact CD2-CD2 4.17Å; L45-F138 HydrophobicContact CD1-CE1 4.16Å; L45-F138 HydrophobicContact CD2-CE1 3.73Å; L45-F138 HydrophobicContact CD2-CZ 3.65Å; L45-F138 HydrophobicContact CG-CE1 4.4Å
46	V	98.7	Very high	95.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.9	176	-169	0	0	0	0	108.9	L38 T44 I48 V77 V79 F95 F105 A106 V108	L38-V46 HydrophobicContact CD1-CG2 4.46Å; L38-V46 HydrophobicContact CD2-CG2 3.58Å; T44-V46 HydrophobicContact CG2-CG2 4.23Å; V46-I48 HydrophobicContact CG1-CD1 4.33Å; V46-V77 CarbonylContact C-O 3.48Å; V46-V77 WeakPolarHBondContact CA-O 3.39Å; V46-V77 HydrophobicContact CB-CG2 4.22Å; V46-V77 HydrophobicContact CG1-CG2 4.21Å; V46-V77 HydrophobicContact CG2-CG2 3.78Å; V46-V79 HydrophobicContact CG1-CG2 4.31Å; V46-F95 HydrophobicContact CB-CZ 4.02Å; V46-F95 HydrophobicContact CG1-CZ 3.99Å; V46-F95 HydrophobicContact CG2-CE1 4.36Å; V46-F95 HydrophobicContact CG2-CZ 4.18Å; V46-F105 CarbonylContact O-C 3.56Å; V46-F105 WeakPolarHBondContact O-CA 3.24Å; V46-A106 HydrophobicContact CB-CB 4.44Å; V46-A106 PolarHBondContact N-O 2.91Å; V46-A106 PolarHBondContact O-N 3.4Å; V46-V108 HydrophobicContact CG2-CG2 4.3Å
47	M	98.3	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.5	163.9	-178.2	174.6	179.3	0	0	109.7	I20 Y25 N49 A59 R60 A63 V77 T78 V79 F105	I20-M47 HydrophobicContact CD1-SD 3.26Å; I20-M47 WeakPolarHBondContact CD1-SD 3.27Å; I20-M47 HydrophobicContact CG1-SD 3.64Å; Y25-M47 HydrophobicContact CD1-CB 4.17Å; Y25-M47 HydrophobicContact CE1-CB 3.99Å; M47-N49 HydrophobicContact CE-CB 4.37Å; M47-N49 PolarHBondContact O-N 2.98Å; M47-A59 HydrophobicContact CE-CB 3.69Å; M47-R60 HydrophobicContact CE-CB 4.31Å; M47-R60 HydrophobicContact CE-CG 3.37Å; M47-R60 HydrophobicContact SD-CG 4.09Å; M47-A63 HydrophobicContact SD-CB 3.84Å; M47-V77 PolarHBondContact N-O 2.99Å; M47-T78 VanDerWaalsContact O-CA 3.25Å; M47-T78 WeakPolarHBondContact O-CA 3.19Å; M47-T78 PolarHBondContact O-OG1 3.34Å; M47-T78 VanDerWaalsContact O-OG1 3.11Å; M47-V79 PolarHBondContact O-N 2.88Å; M47-F105 HydrophobicContact CB-CD1 3.93Å; M47-F105 HydrophobicContact CB-CE1 3.73Å; M47-F105 HydrophobicContact CE-CE1 4.5Å; M47-F105 HydrophobicContact CE-CZ 4.26Å; M47-F105 HydrophobicContact CG-CD1 4.06Å; M47-F105 HydrophobicContact CG-CE1 3.53Å; M47-F105 HydrophobicContact CG-CZ 4.13Å; M47-F105 HydrophobicContact SD-CE1 3.78Å; M47-F105 HydrophobicContact SD-CZ 4.07Å
48	I	98.5	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	91.5	169.7	-57.7	81.5	0	0	0	106.4	V46 V79 A81 T88 F95 P103 S104 A106 M116	V46-I48 HydrophobicContact CG1-CD1 4.33Å; I48-V79 CarbonylContact C-O 3.59Å; I48-V79 HydrophobicContact CB-CG2 4.39Å; I48-V79 HydrophobicContact CG1-CG2 4.04Å; I48-V79 HydrophobicContact CG2-CG2 4.34Å; I48-A81 HydrophobicContact CG2-CB 3.99Å; I48-T88 HydrophobicContact CG2-CG2 4.23Å; I48-F95 HydrophobicContact CD1-CE2 3.71Å; I48-F95 HydrophobicContact CD1-CZ 4.22Å; I48-F95 HydrophobicContact CG1-CE2 3.99Å; I48-P103 VanDerWaalsContact O-CA 3.29Å; I48-P103 WeakPolarHBondContact O-CA 3.4Å; I48-S104 WeakPolarHBondContact CB-OG 3.14Å; I48-S104 WeakPolarHBondContact CD1-O 3.23Å; I48-S104 WeakPolarHBondContact CD1-OG 3.39Å; I48-S104 PolarHBondContact N-O 3.05Å; I48-S104 PolarHBondContact O-N 3.37Å; I48-A106 HydrophobicContact CD1-CB 4.25Å; I48-M116 HydrophobicContact CD1-CE 4.34Å
49	N	97.7	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	161.3	-176.8	-161.1	5.9	0	0	0	111.5	A16 M47 R60 V79 F80 A81	A16-N49 PolarHBondContact O-ND2 3.34Å; M47-N49 HydrophobicContact CE-CB 4.37Å; M47-N49 PolarHBondContact O-N 2.98Å; N49-R60 PolarHBondContact OD1-NH1 2.77Å; N49-V79 PolarHBondContact N-O 3.31Å; N49-F80 HydrophobicContact CB-CD1 4.49Å; N49-F80 HydrophobicContact CB-CG 4.47Å; N49-A81 VanDerWaalsContact O-CB 3.28Å; N49-A81 WeakPolarHBondContact O-CB 3.39Å; N49-A81 PolarHBondContact O-N 2.86Å
50	S	95.2	Very high	95	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.042	18%	0.175	C	C	.	.			trans	-158.2	168.5	172.3	69.3	0	0	0	0	111.7	C52 A55 R60	S50-C52 VanDerWaalsContact C-N 3.3Å; S50-C52 PolarHBondContact OG-SG 3.22Å; S50-A55 VanDerWaalsContact O-CB 3.24Å; S50-A55 WeakPolarHBondContact O-CB 3.4Å; S50-A55 WeakPolarHBondContact OG-CB 3.45Å; S50-R60 PolarHBondContact O-NH1 2.98Å
51	V	93.4	Very high	95	Very high	59 Å²	59	23.6 Å²	23.6	36%	0.358	17%	0.169	S	C	.	.	S	Bend	trans	-84.2	1.5	176.2	-65.3	0	0	0	0	113.6	V12 V13 F80	V12-V51 HydrophobicContact CG1-CB 4.4Å; V12-V51 HydrophobicContact CG1-CG1 4.37Å; V13-V51 HydrophobicContact CG2-CG1 3.81Å; V51-F80 HydrophobicContact CG1-CE1 3.73Å; V51-F80 HydrophobicContact CG1-CZ 3.62Å
52	C	90.1	Very high	95.1	Very high	36 Å²	36	17.4 Å²	17.4	24%	0.243	14%	0.136	C	C	.	.	S	Bend	trans	-77.4	157.6	-176	74.2	0	0	0	0	112.6	S50 C54 A55 G56 P103	S50-C52 VanDerWaalsContact C-N 3.3Å; S50-C52 PolarHBondContact OG-SG 3.22Å; C52-C54 VanDerWaalsContact C-N 3.34Å; C52-C54 PolarHBondContact O-N 3.39Å; C52-C54 PolarHBondContact SG-SG 3.18Å; C52-A55 VanDerWaalsContact O-CB 3.29Å; C52-A55 WeakPolarHBondContact O-CB 3.29Å; C52-A55 PolarHBondContact O-N 3.45Å; C52-G56 PolarHBondContact O-N 3.28Å; C52-P103 WeakPolarHBondContact SG-CD 3.33Å
53	G	85	Confident	95.1	Very high	65 Å²	65	16.5 Å²	16.5	67%	0.67	13%	0.127	S	C	*	.	H	α-helix	trans	-58.3	-38.2	-173.6	0	0	0	0	0	114.5	A55 G56 G57	G53-A55 VanDerWaalsContact C-N 3.26Å; G53-A55 PolarHBondContact O-N 3.16Å; G53-G56 PolarHBondContact O-N 2.98Å; G53-G57 PolarHBondContact O-N 2.95Å
54	C	88.5	Confident	95	Very high	17 Å²	17	18.4 Å²	18.4	12%	0.115	14%	0.14	C	C	.	.	H	α-helix	trans	-69.4	-23.6	176.4	58.3	0	0	0	0	112.8	C52 I58 A59 P103	C52-C54 VanDerWaalsContact C-N 3.34Å; C52-C54 PolarHBondContact O-N 3.39Å; C52-C54 PolarHBondContact SG-SG 3.18Å; C54-I58 HydrophobicContact CB-CD1 4.21Å; C54-I58 WeakPolarHBondContact O-CA 3.27Å; C54-I58 WeakPolarHBondContact O-CB 3.25Å; C54-I58 PolarHBondContact O-N 2.71Å; C54-A59 PolarHBondContact O-N 3.19Å; C54-P103 WeakPolarHBondContact SG-CD 3.48Å
55	A	90.3	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-69.1	-46.2	173.6	0	0	0	0	0	111.5	S50 C52 G53 A59 R60 P103	S50-A55 VanDerWaalsContact O-CB 3.24Å; S50-A55 WeakPolarHBondContact O-CB 3.4Å; S50-A55 WeakPolarHBondContact OG-CB 3.45Å; C52-A55 VanDerWaalsContact O-CB 3.29Å; C52-A55 WeakPolarHBondContact O-CB 3.29Å; C52-A55 PolarHBondContact O-N 3.45Å; G53-A55 VanDerWaalsContact C-N 3.26Å; G53-A55 PolarHBondContact O-N 3.16Å; A55-A59 PolarHBondContact O-N 2.98Å; A55-R60 PolarHBondContact O-N 3.37Å; A55-P103 HydrophobicContact CB-CB 3.91Å; A55-P103 HydrophobicContact CB-CG 4Å
56	G	90.6	Very high	94.8	Very high	24 Å²	24	23 Å²	23	25%	0.247	16%	0.161	C	C	.	.	I	π-helix	trans	-75.7	-36.9	178	0	0	0	0	0	114.3	C52 G53 P61	C52-G56 PolarHBondContact O-N 3.28Å; G53-G56 PolarHBondContact O-N 2.98Å; G56-P61 VanDerWaalsContact O-CD 3.26Å; G56-P61 WeakPolarHBondContact O-CD 3.34Å; G56-P61 WeakPolarHBondContact O-CG 3.08Å
57	G	92.6	Very high	94.5	Very high	47 Å²	47	24.4 Å²	24.4	49%	0.485	17%	0.169	S	C	.	.	I	π-helix	trans	-82.8	-22.8	-177.3	0	0	0	0	0	114.7	G53	G53-G57 PolarHBondContact O-N 2.95Å
58	I	96.7	Very high	94.1	Very high	26 Å²	26	31.4 Å²	31.4	13%	0.133	20%	0.201	C	C	.	.	I	π-helix	trans	-133	-60.7	-170.9	-51.6	165.1	0	0	0	111.2	C54 P61 A62 I122 H125 V130	C54-I58 HydrophobicContact CB-CD1 4.21Å; C54-I58 WeakPolarHBondContact O-CA 3.27Å; C54-I58 WeakPolarHBondContact O-CB 3.25Å; C54-I58 PolarHBondContact O-N 2.71Å; I58-P61 WeakPolarHBondContact O-CD 3.49Å; I58-A62 VanDerWaalsContact O-CB 3.24Å; I58-A62 WeakPolarHBondContact O-CB 3.34Å; I58-A62 PolarHBondContact O-N 2.99Å; I58-I122 HydrophobicContact CB-CG2 4.09Å; I58-I122 WeakPolarHBondContact CD1-O 3.35Å; I58-I122 HydrophobicContact CG2-CG2 3.84Å; I58-H125 VanDerWaalsContact CD1-O 3.23Å; I58-H125 WeakPolarHBondContact CD1-O 3.5Å; I58-V130 HydrophobicContact CG2-CB 4.45Å; I58-V130 HydrophobicContact CG2-CG2 3.72Å
59	A	97.4	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-64.1	-54	-169.5	0	0	0	0	0	112.8	M47 C54 A55 A62 A63 P103 F105 I122	M47-A59 HydrophobicContact CE-CB 3.69Å; C54-A59 PolarHBondContact O-N 3.19Å; A55-A59 PolarHBondContact O-N 2.98Å; A59-A62 PolarHBondContact O-N 3.37Å; A59-A63 WeakPolarHBondContact O-CB 3.36Å; A59-A63 PolarHBondContact O-N 3.5Å; A59-P103 HydrophobicContact CB-CB 3.62Å; A59-P103 HydrophobicContact CB-CG 3.88Å; A59-F105 HydrophobicContact CB-CE2 4.04Å; A59-F105 HydrophobicContact CB-CZ 4.04Å; A59-F105 WeakPolarHBondContact O-CZ 3.43Å; A59-I122 HydrophobicContact CB-CG2 4.13Å
60	R	97.3	Very high	93.3	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.087	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-43.5	-179.2	-70.1	-168.8	-61.6	-95	8.7	112.6	A16 E19 I20 M47 N49 S50 A55 A62 A63 S64	A16-R60 WeakPolarHBondContact O-CD 3.31Å; E19-R60 IonicContact OE2-CZ 2.71Å; E19-R60 IonicContact OE2-NE 3.54Å; E19-R60 PolarHBondContact OE2-NE 3.46Å; E19-R60 IonicContact OE2-NH2 3.64Å; E19-R60 PolarHBondContact OE2-NH2 2.76Å; I20-R60 HydrophobicContact CB-CG 4.49Å; M47-R60 HydrophobicContact CE-CB 4.31Å; M47-R60 HydrophobicContact CE-CG 3.37Å; M47-R60 HydrophobicContact SD-CG 4.09Å; N49-R60 PolarHBondContact OD1-NH1 2.77Å; S50-R60 PolarHBondContact O-NH1 2.98Å; A55-R60 PolarHBondContact O-N 3.37Å; R60-A62 PolarHBondContact O-N 2.95Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.86Å; R60-S64 PolarHBondContact O-N 3.33Å; R60-S64 VanDerWaalsContact O-N 3.08Å
61	P	97	Very high	93.2	Very high	37 Å²	37	41.3 Å²	41.3	24%	0.24	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-46.7	170.2	-28.1	35.5	0	0	0	113.1	G56 I58 A63 S64 H65 V127	G56-P61 VanDerWaalsContact O-CD 3.26Å; G56-P61 WeakPolarHBondContact O-CD 3.34Å; G56-P61 WeakPolarHBondContact O-CG 3.08Å; I58-P61 WeakPolarHBondContact O-CD 3.49Å; P61-A63 PolarHBondContact O-N 3.33Å; P61-S64 PolarHBondContact O-N 3.25Å; P61-H65 WeakPolarHBondContact O-CB 3.43Å; P61-H65 PolarHBondContact O-CD2 3.44Å; P61-H65 PolarHBondContact O-N 3.03Å; P61-V127 HydrophobicContact CB-CG1 3.97Å; P61-V127 HydrophobicContact CB-CG2 4.35Å
62	A	97.6	Very high	93.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-41.4	178.8	0	0	0	0	0	112.1	I58 A59 R60 S64 H65 A66 V127 V130 I131 L134	I58-A62 VanDerWaalsContact O-CB 3.24Å; I58-A62 WeakPolarHBondContact O-CB 3.34Å; I58-A62 PolarHBondContact O-N 2.99Å; A59-A62 PolarHBondContact O-N 3.37Å; R60-A62 PolarHBondContact O-N 2.95Å; A62-S64 VanDerWaalsContact C-N 3.27Å; A62-S64 PolarHBondContact O-N 3.02Å; A62-H65 PolarHBondContact O-N 3.49Å; A62-A66 WeakPolarHBondContact O-CB 3.14Å; A62-A66 PolarHBondContact O-N 3.47Å; A62-V127 HydrophobicContact CB-CG1 4.16Å; A62-V130 HydrophobicContact CB-CB 3.74Å; A62-V130 HydrophobicContact CB-CG1 3.61Å; A62-I131 HydrophobicContact CB-CG1 3.96Å; A62-L134 HydrophobicContact CB-CD1 4.45Å
63	A	97.4	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-39.3	176.8	0	0	0	0	0	112.2	I20 Y25 M47 A59 R60 P61 L67 F105	I20-A63 HydrophobicContact CD1-CB 3.7Å; Y25-A63 HydrophobicContact CE2-CB 3.97Å; Y25-A63 PolarHBondContact OH-O 3.32Å; M47-A63 HydrophobicContact SD-CB 3.84Å; A59-A63 WeakPolarHBondContact O-CB 3.36Å; A59-A63 PolarHBondContact O-N 3.5Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.86Å; P61-A63 PolarHBondContact O-N 3.33Å; A63-L67 WeakPolarHBondContact O-CG 3.21Å; A63-F105 HydrophobicContact CB-CE1 3.64Å; A63-F105 HydrophobicContact CB-CZ 3.81Å
64	S	96.4	Very high	94.3	Very high	42 Å²	42	39.3 Å²	39.3	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-73	-47.4	177.2	-175.4	0	0	0	0	112	R60 P61 A62	R60-S64 PolarHBondContact O-N 3.33Å; R60-S64 VanDerWaalsContact O-N 3.08Å; P61-S64 PolarHBondContact O-N 3.25Å; A62-S64 VanDerWaalsContact C-N 3.27Å; A62-S64 PolarHBondContact O-N 3.02Å
65	H	96	Very high	94.7	Very high	98 Å²	98	40.8 Å²	40.8	45%	0.454	22%	0.221	S	C	.	.	H	α-helix	trans	-75.4	-29.5	-174.6	-72.5	-56.9	0	0	0	113.9	P61 A62 L67 H68 I131	P61-H65 WeakPolarHBondContact O-CB 3.43Å; P61-H65 PolarHBondContact O-CD2 3.44Å; P61-H65 PolarHBondContact O-N 3.03Å; A62-H65 PolarHBondContact O-N 3.49Å; H65-L67 PolarHBondContact O-N 3.43Å; H65-L67 VanDerWaalsContact O-N 3.1Å; H65-H68 PolarHBondContact O-N 2.86Å; H65-H68 PolarHBondContact O-ND1 3.45Å; H65-I131 HydrophobicContact CB-CD1 3.45Å; H65-I131 VanDerWaalsContact CB-CD1 3.45Å; H65-I131 HydrophobicContact CB-CG1 4.05Å
66	A	95.7	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	179.2	0	0	0	0	0	113.7	A62 H68 I131 L134 F138	A62-A66 WeakPolarHBondContact O-CB 3.14Å; A62-A66 PolarHBondContact O-N 3.47Å; A66-H68 VanDerWaalsContact C-N 3.29Å; A66-H68 PolarHBondContact O-N 3.47Å; A66-I131 HydrophobicContact CB-CG2 4.38Å; A66-L134 HydrophobicContact CB-CB 3.82Å; A66-L134 HydrophobicContact CB-CD1 3.69Å; A66-L134 HydrophobicContact CB-CG 4.4Å; A66-F138 HydrophobicContact CB-CE2 4.18Å; A66-F138 HydrophobicContact CB-CZ 4.46Å
67	L	93.3	Very high	95.5	Very high	31 Å²	31	41.3 Å²	41.3	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.7	-179.4	-52.5	179.8	0	0	0	114.1	A23 Y25 A63 H65 Y69 L72 L76	A23-L67 WeakPolarHBondContact O-CD1 3.44Å; Y25-L67 HydrophobicContact CE2-CD1 4.15Å; A63-L67 WeakPolarHBondContact O-CG 3.21Å; H65-L67 PolarHBondContact O-N 3.43Å; H65-L67 VanDerWaalsContact O-N 3.1Å; L67-Y69 PolarHBondContact O-N 2.87Å; L67-L72 HydrophobicContact CB-CD2 4.48Å; L67-L72 HydrophobicContact CD2-CD2 4.33Å; L67-L76 HydrophobicContact CD1-CD1 3.45Å; L67-L76 VanDerWaalsContact CD1-CD1 3.45Å; L67-L76 HydrophobicContact CD2-CD1 3.55Å; L67-L76 HydrophobicContact CD2-CD2 3.72Å; L67-L76 HydrophobicContact CD2-CG 4.29Å; L67-L76 HydrophobicContact CG-CD1 4.13Å
68	H	90.2	Very high	95.8	Very high	147 Å²	147	39.3 Å²	39.3	68%	0.681	20%	0.197	S	C	*	.	S	Bend	trans	-83.3	66	170.7	-56.9	102	0	0	0	109.4	H65 A66	H65-H68 PolarHBondContact O-N 2.86Å; H65-H68 PolarHBondContact O-ND1 3.45Å; A66-H68 VanDerWaalsContact C-N 3.29Å; A66-H68 PolarHBondContact O-N 3.47Å
69	Y	88.8	Confident	95.9	Very high	77 Å²	77	38.1 Å²	38.1	30%	0.302	19%	0.191	S	C	.	.	S	Bend	trans	-148.4	153.8	-175.2	-154	-119.7	0	0	0	111.1	L67 V71 L72 Q135 N139	L67-Y69 PolarHBondContact O-N 2.87Å; Y69-V71 HydrophobicContact CD1-CB 4.32Å; Y69-V71 WeakPolarHBondContact CD1-O 3.47Å; Y69-V71 HydrophobicContact CE1-CB 4.42Å; Y69-L72 WeakPolarHBondContact O-CG 3.18Å; Y69-Q135 HydrophobicContact CD1-CB 4.08Å; Y69-Q135 HydrophobicContact CD1-CG 3.99Å; Y69-Q135 HydrophobicContact CD2-CB 4.39Å; Y69-Q135 VanDerWaalsContact CD2-CD 3.47Å; Y69-Q135 HydrophobicContact CD2-CG 3.92Å; Y69-Q135 HydrophobicContact CE1-CB 3.96Å; Y69-Q135 HydrophobicContact CE1-CG 4.34Å; Y69-Q135 HydrophobicContact CE2-CB 4.3Å; Y69-Q135 HydrophobicContact CE2-CG 4.29Å; Y69-Q135 HydrophobicContact CG-CB 4.3Å; Y69-Q135 HydrophobicContact CG-CG 3.77Å; Y69-N139 WeakPolarHBondContact CE1-ND2 3.31Å; Y69-N139 WeakPolarHBondContact CE1-OD1 3.33Å; Y69-N139 PolarHBondContact OH-ND2 2.88Å
70	D	89.4	Confident	95.9	Very high	123 Å²	123	38.2 Å²	38.2	66%	0.658	19%	0.191	S	C	*	.	S	Bend	trans	-73	-34.3	-174.8	-59.1	-38.3	0	0	0	112.1
71	V	94.7	Very high	95.9	Very high	16 Å²	16	37.6 Å²	37.6	10%	0.097	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-103.8	116.9	179.5	-177.3	0	0	0	0	109	Y69 F138 C142 E144	Y69-V71 HydrophobicContact CD1-CB 4.32Å; Y69-V71 WeakPolarHBondContact CD1-O 3.47Å; Y69-V71 HydrophobicContact CE1-CB 4.42Å; V71-F138 HydrophobicContact CG1-CB 4.24Å; V71-F138 WeakPolarHBondContact CG1-O 3.43Å; V71-F138 WeakPolarHBondContact O-CB 3.4Å; V71-F138 WeakPolarHBondContact O-CD2 3.4Å; V71-C142 HydrophobicContact CG1-CB 3.64Å; V71-E144 HydrophobicContact CG2-CB 4.22Å; V71-E144 HydrophobicContact CG2-CG 4.39Å
72	L	96.6	Very high	95.8	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.236	20%	0.203	C	C	.	.			trans	-129.6	151.3	-175.8	-65.3	176	0	0	0	112.2	L67 Y69 F138	L67-L72 HydrophobicContact CB-CD2 4.48Å; L67-L72 HydrophobicContact CD2-CD2 4.33Å; Y69-L72 WeakPolarHBondContact O-CG 3.18Å; L72-F138 HydrophobicContact CD2-CD2 4.25Å; L72-F138 HydrophobicContact CD2-CE2 4.26Å
73	P	96.9	Very high	95.7	Very high	5 Å²	5	42 Å²	42	3%	0.032	22%	0.221	C	C	.	.			trans	-59.5	150.9	168	-18.8	30.5	0	0	0	112.1	T43 L45 R75 L76 L107 F138	T43-P73 WeakPolarHBondContact OG1-CA 3.4Å; L45-P73 HydrophobicContact CB-CB 3.96Å; L45-P73 HydrophobicContact CB-CG 3.63Å; L45-P73 HydrophobicContact CD2-CG 4.34Å; P73-R75 VanDerWaalsContact C-N 3.27Å; P73-R75 PolarHBondContact O-N 3.48Å; P73-L76 HydrophobicContact CB-CD2 4.22Å; P73-L76 HydrophobicContact CG-CD2 4.08Å; P73-L107 HydrophobicContact CB-CD1 4.25Å; P73-L107 HydrophobicContact CG-CD1 4.2Å; P73-F138 HydrophobicContact CG-CD1 3.69Å; P73-F138 HydrophobicContact CG-CE1 3.52Å; P73-F138 HydrophobicContact CG-CG 4.36Å; P73-F138 HydrophobicContact CG-CZ 4.03Å
74	D	97	Very high	95.6	Very high	67 Å²	67	43.2 Å²	43.2	36%	0.358	23%	0.228	S	C	.	.	S	Bend	trans	-68.2	-31.5	178.8	-60.8	-67.6	0	0	0	113.2	G42 T43 R145	G42-D74 WeakPolarHBondContact CA-OD2 3.41Å; T43-D74 PolarHBondContact N-OD2 2.93Å; T43-D74 WeakPolarHBondContact O-CA 3.45Å; T43-D74 VanDerWaalsContact O-CB 3.31Å; T43-D74 WeakPolarHBondContact O-CB 3.46Å; T43-D74 PolarHBondContact O-N 3.05Å; T43-D74 PolarHBondContact OG1-N 3.06Å; T43-D74 PolarHBondContact OG1-OD2 3.3Å; D74-R145 VanDerWaalsContact CA-NH2 3.27Å; D74-R145 IonicContact OD1-CZ 2.79Å; D74-R145 IonicContact OD1-NE 3.75Å; D74-R145 IonicContact OD1-NH2 3.51Å; D74-R145 PolarHBondContact OD1-NH2 3.17Å
75	R	97.5	Very high	95.6	Very high	48 Å²	48	48.2 Å²	48.2	18%	0.181	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.3	-179.2	-63.5	176.8	-69.8	-90.6	-9.1	110.3	Q40 D41 T43 T44 L45 P73	Q40-R75 VanDerWaalsContact CB-CZ 3.45Å; Q40-R75 PolarHBondContact O-NH2 2.94Å; Q40-R75 VanDerWaalsContact O-NH2 3.11Å; D41-R75 VanDerWaalsContact O-CZ 3.3Å; D41-R75 PolarHBondContact O-NH1 2.78Å; D41-R75 PolarHBondContact O-NH2 2.9Å; T43-R75 PolarHBondContact O-N 2.91Å; T44-R75 WeakPolarHBondContact CA-O 3.44Å; T44-R75 HydrophobicContact CG2-CB 3.99Å; T44-R75 PolarHBondContact OG1-NE 2.86Å; T44-R75 PolarHBondContact OG1-NH2 3.33Å; L45-R75 PolarHBondContact N-O 3.3Å; P73-R75 VanDerWaalsContact C-N 3.27Å; P73-R75 PolarHBondContact O-N 3.48Å
76	L	98.3	Very high	95.7	Very high	35 Å²	35	50.5 Å²	50.5	18%	0.183	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117	174.6	-58.1	174.6	0	0	0	107.2	Y25 E26 L45 L67 P73	Y25-L76 WeakPolarHBondContact CA-O 3.46Å; Y25-L76 HydrophobicContact CD1-CB 3.84Å; Y25-L76 HydrophobicContact CD2-CB 4.26Å; Y25-L76 HydrophobicContact CE1-CB 4.05Å; Y25-L76 HydrophobicContact CE1-CD2 4.33Å; Y25-L76 HydrophobicContact CE2-CB 4.44Å; Y25-L76 HydrophobicContact CE2-CD1 4.43Å; Y25-L76 HydrophobicContact CG-CB 3.95Å; E26-L76 PolarHBondContact N-O 3.46Å; L45-L76 HydrophobicContact CB-CD2 4.05Å; L45-L76 HydrophobicContact CD2-CD2 4.07Å; L67-L76 HydrophobicContact CD1-CD1 3.45Å; L67-L76 VanDerWaalsContact CD1-CD1 3.45Å; L67-L76 HydrophobicContact CD2-CD1 3.55Å; L67-L76 HydrophobicContact CD2-CD2 3.72Å; L67-L76 HydrophobicContact CD2-CG 4.29Å; L67-L76 HydrophobicContact CG-CD1 4.13Å; P73-L76 HydrophobicContact CB-CD2 4.22Å; P73-L76 HydrophobicContact CG-CD2 4.08Å
77	V	98.7	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.7	-176.7	-57.6	0	0	0	0	112.1	Y25 E26 L28 V37 T44 L45 V46 M47	Y25-V77 WeakPolarHBondContact CD1-O 3.4Å; E26-V77 HydrophobicContact CB-CG1 4.24Å; E26-V77 CarbonylContact O-C 3.6Å; E26-V77 VanDerWaalsContact O-CA 3.23Å; E26-V77 WeakPolarHBondContact O-CA 3.35Å; L28-V77 HydrophobicContact CD1-CB 3.77Å; L28-V77 HydrophobicContact CD1-CG1 4.14Å; L28-V77 HydrophobicContact CD1-CG2 3.79Å; L28-V77 HydrophobicContact CD2-CB 4.42Å; L28-V77 HydrophobicContact CD2-CG1 4.31Å; L28-V77 HydrophobicContact CG-CB 3.95Å; L28-V77 HydrophobicContact CG-CG1 4.36Å; L28-V77 HydrophobicContact CG-CG2 4.48Å; V37-V77 HydrophobicContact CG1-CG1 3.81Å; T44-V77 HydrophobicContact CG2-CB 4.49Å; T44-V77 HydrophobicContact CG2-CG1 4.21Å; T44-V77 HydrophobicContact CG2-CG2 3.52Å; L45-V77 PolarHBondContact O-N 3.23Å; V46-V77 CarbonylContact C-O 3.48Å; V46-V77 WeakPolarHBondContact CA-O 3.39Å; V46-V77 HydrophobicContact CB-CG2 4.22Å; V46-V77 HydrophobicContact CG1-CG2 4.21Å; V46-V77 HydrophobicContact CG2-CG2 3.78Å; M47-V77 PolarHBondContact N-O 2.99Å
78	T	98.8	Very high	96.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.2	-177.9	-169.4	0	0	0	0	111.8	I20 E26 Q27 L28 M47	I20-T78 HydrophobicContact CG1-CG2 4.35Å; I20-T78 HydrophobicContact CG2-CG2 3.83Å; E26-T78 PolarHBondContact O-N 3.48Å; Q27-T78 HydrophobicContact CB-CG2 4.23Å; Q27-T78 HydrophobicContact CG-CG2 3.84Å; L28-T78 PolarHBondContact N-O 3.02Å; M47-T78 VanDerWaalsContact O-CA 3.25Å; M47-T78 WeakPolarHBondContact O-CA 3.19Å; M47-T78 PolarHBondContact O-OG1 3.34Å; M47-T78 VanDerWaalsContact O-OG1 3.11Å
79	V	98.7	Very high	96.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.8	168.3	-67.7	0	0	0	0	108.4	L28 V34 V46 M47 I48 N49 A87 T88 A91	L28-V79 HydrophobicContact CB-CG1 4.08Å; V34-V79 HydrophobicContact CG2-CG1 3.94Å; V46-V79 HydrophobicContact CG1-CG2 4.31Å; M47-V79 PolarHBondContact O-N 2.88Å; I48-V79 CarbonylContact C-O 3.59Å; I48-V79 HydrophobicContact CB-CG2 4.39Å; I48-V79 HydrophobicContact CG1-CG2 4.04Å; I48-V79 HydrophobicContact CG2-CG2 4.34Å; N49-V79 PolarHBondContact N-O 3.31Å; V79-A87 HydrophobicContact CG1-CB 4.19Å; V79-T88 HydrophobicContact CG2-CG2 4.36Å; V79-A91 HydrophobicContact CG1-CB 4.08Å; V79-A91 HydrophobicContact CG2-CB 4.13Å
80	F	98.2	Very high	96.9	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	98.6	-174.6	-155.6	-31.1	0	0	0	111.9	V13 A16 R17 N49 V51 G82 Q83 D84 T88	V13-F80 HydrophobicContact CG1-CE2 3.91Å; V13-F80 HydrophobicContact CG1-CZ 4.35Å; A16-F80 HydrophobicContact CB-CE2 3.87Å; A16-F80 HydrophobicContact CB-CZ 3.72Å; R17-F80 HydrophobicContact CG-CD2 3.72Å; R17-F80 HydrophobicContact CG-CE2 3.79Å; N49-F80 HydrophobicContact CB-CD1 4.49Å; N49-F80 HydrophobicContact CB-CG 4.47Å; V51-F80 HydrophobicContact CG1-CE1 3.73Å; V51-F80 HydrophobicContact CG1-CZ 3.62Å; F80-G82 PolarHBondContact O-N 3.42Å; F80-Q83 HydrophobicContact CB-CB 4.07Å; F80-Q83 HydrophobicContact CD1-CB 4.04Å; F80-Q83 HydrophobicContact CD1-CG 3.59Å; F80-Q83 HydrophobicContact CD2-CB 4.37Å; F80-Q83 HydrophobicContact CD2-CG 4.14Å; F80-Q83 HydrophobicContact CE1-CG 3.71Å; F80-Q83 HydrophobicContact CE2-CG 4.26Å; F80-Q83 HydrophobicContact CG-CB 3.9Å; F80-Q83 HydrophobicContact CG-CG 3.83Å; F80-Q83 HydrophobicContact CZ-CG 4.07Å; F80-Q83 PolarHBondContact O-N 3.28Å; F80-D84 HydrophobicContact CB-CB 4.42Å; F80-D84 VanDerWaalsContact CB-OD2 3.28Å; F80-D84 WeakPolarHBondContact CB-OD2 3.29Å; F80-D84 PolarHBondContact O-N 3.41Å; F80-T88 VanDerWaalsContact C-OG1 3.31Å; F80-T88 PolarHBondContact O-OG1 3.21Å
81	A	97.3	Very high	97.4	Very high	10 Å²	10	41.8 Å²	41.8	8%	0.083	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	125.8	178.8	0	0	0	0	0	112.1	I48 N49 Q83 T88	I48-A81 HydrophobicContact CG2-CB 3.99Å; N49-A81 VanDerWaalsContact O-CB 3.28Å; N49-A81 WeakPolarHBondContact O-CB 3.39Å; N49-A81 PolarHBondContact O-N 2.86Å; A81-Q83 VanDerWaalsContact C-N 3.31Å; A81-T88 HydrophobicContact CB-CG2 3.93Å; A81-T88 PolarHBondContact N-OG1 2.8Å
82	G	94	Very high	97.5	Very high	48 Å²	48	45 Å²	45	50%	0.495	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-24.7	-178.4	0	0	0	0	0	114.3	F80 K85	F80-G82 PolarHBondContact O-N 3.42Å; G82-K85 WeakPolarHBondContact O-CE 3.5Å
83	Q	95.3	Very high	97.6	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.383	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-63.9	176.3	-53.6	-57.4	-37.9	0	0	109.9	V13 F80 A81 K85	V13-Q83 HydrophobicContact CG1-CG 4.04Å; V13-Q83 HydrophobicContact CG2-CG 4.1Å; F80-Q83 HydrophobicContact CB-CB 4.07Å; F80-Q83 HydrophobicContact CD1-CB 4.04Å; F80-Q83 HydrophobicContact CD1-CG 3.59Å; F80-Q83 HydrophobicContact CD2-CB 4.37Å; F80-Q83 HydrophobicContact CD2-CG 4.14Å; F80-Q83 HydrophobicContact CE1-CG 3.71Å; F80-Q83 HydrophobicContact CE2-CG 4.26Å; F80-Q83 HydrophobicContact CG-CB 3.9Å; F80-Q83 HydrophobicContact CG-CG 3.83Å; F80-Q83 HydrophobicContact CZ-CG 4.07Å; F80-Q83 PolarHBondContact O-N 3.28Å; A81-Q83 VanDerWaalsContact C-N 3.31Å; Q83-K85 PolarHBondContact O-N 2.84Å; Q83-K85 VanDerWaalsContact O-N 3.16Å
84	D	96.7	Very high	97.6	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.134	24%	0.235	C	C	.	.	S	Bend	trans	-93.4	68.6	-180	-52.9	-36.2	0	0	0	109.3	R17 F80 E86 A87 T88	R17-D84 IonicContact CZ-OD1 3.33Å; R17-D84 IonicContact CZ-OD2 3.17Å; R17-D84 IonicContact NH1-OD1 2.79Å; R17-D84 IonicContact NH1-OD2 2.66Å; R17-D84 PolarHBondContact NH1-OD2 2.9Å; R17-D84 IonicContact NH2-OD1 2.93Å; R17-D84 PolarHBondContact NH2-OD1 2.78Å; R17-D84 IonicContact NH2-OD2 2.81Å; R17-D84 PolarHBondContact NH2-OD2 2.86Å; F80-D84 HydrophobicContact CB-CB 4.42Å; F80-D84 VanDerWaalsContact CB-OD2 3.28Å; F80-D84 WeakPolarHBondContact CB-OD2 3.29Å; F80-D84 PolarHBondContact O-N 3.41Å; D84-E86 PolarHBondContact O-N 3.11Å; D84-A87 HydrophobicContact CB-CB 4.15Å; D84-A87 PolarHBondContact O-N 2.9Å; D84-T88 WeakPolarHBondContact O-CB 3.39Å; D84-T88 PolarHBondContact O-N 3.37Å; D84-T88 PolarHBondContact O-OG1 3.16Å
85	K	96.8	Very high	97.6	Very high	146 Å²	146	45.7 Å²	45.7	64%	0.635	22%	0.219	S	C	*	.	H	α-helix	trans	-60	-44.8	-168.9	-66.6	179.2	-175.6	172.3	0	112.9	G82 Q83 T88 Q89	G82-K85 WeakPolarHBondContact O-CE 3.5Å; Q83-K85 PolarHBondContact O-N 2.84Å; Q83-K85 VanDerWaalsContact O-N 3.16Å; K85-T88 PolarHBondContact O-N 3.38Å; K85-Q89 VanDerWaalsContact O-CB 3.29Å; K85-Q89 WeakPolarHBondContact O-CB 3.38Å; K85-Q89 PolarHBondContact O-N 3.4Å
86	E	97.7	Very high	97.5	Very high	147 Å²	147	51 Å²	51	69%	0.687	25%	0.246	S	C	*	.	H	α-helix	trans	-67.2	-46.4	-178.7	-66.9	-177.4	177.2	0	0	111.6	D84 T88 Q89 R90	D84-E86 PolarHBondContact O-N 3.11Å; E86-T88 PolarHBondContact O-N 3.31Å; E86-Q89 PolarHBondContact O-N 2.86Å; E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 2.95Å
87	A	98.6	Very high	97.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-45.5	174.7	0	0	0	0	0	111.8	L28 V34 V79 D84 Q89 R90 A91	L28-A87 VanDerWaalsContact O-CB 3.3Å; L28-A87 WeakPolarHBondContact O-CB 3.42Å; V34-A87 HydrophobicContact CG2-CB 3.97Å; V79-A87 HydrophobicContact CG1-CB 4.19Å; D84-A87 HydrophobicContact CB-CB 4.15Å; D84-A87 PolarHBondContact O-N 2.9Å; A87-Q89 PolarHBondContact O-N 2.91Å; A87-R90 PolarHBondContact O-N 3.47Å; A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 3.35Å
88	T	98.3	Very high	97.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-42.7	178.5	-56	0	0	0	0	111.6	I48 V79 F80 A81 D84 K85 E86 A91 R92	I48-T88 HydrophobicContact CG2-CG2 4.23Å; V79-T88 HydrophobicContact CG2-CG2 4.36Å; F80-T88 VanDerWaalsContact C-OG1 3.31Å; F80-T88 PolarHBondContact O-OG1 3.21Å; A81-T88 HydrophobicContact CB-CG2 3.93Å; A81-T88 PolarHBondContact N-OG1 2.8Å; D84-T88 WeakPolarHBondContact O-CB 3.39Å; D84-T88 PolarHBondContact O-N 3.37Å; D84-T88 PolarHBondContact O-OG1 3.16Å; K85-T88 PolarHBondContact O-N 3.38Å; E86-T88 PolarHBondContact O-N 3.31Å; T88-A91 PolarHBondContact O-N 3Å; T88-R92 WeakPolarHBondContact O-CD 3.29Å; T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; T88-R92 PolarHBondContact O-N 3.1Å; T88-R92 VanDerWaalsContact O-N 3.08Å
89	Q	98	Very high	97.1	Very high	125 Å²	125	59.8 Å²	59.8	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-45.3	177.1	-177.7	170.6	8.4	0	0	110.7	K85 E86 A87 A91 R92 E93	K85-Q89 VanDerWaalsContact O-CB 3.29Å; K85-Q89 WeakPolarHBondContact O-CB 3.38Å; K85-Q89 PolarHBondContact O-N 3.4Å; E86-Q89 PolarHBondContact O-N 2.86Å; A87-Q89 PolarHBondContact O-N 2.91Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 2.88Å; Q89-R92 WeakPolarHBondContact O-CB 3.49Å; Q89-R92 PolarHBondContact O-N 3.35Å; Q89-E93 PolarHBondContact O-N 3.41Å
90	R	98.3	Very high	97	Very high	65 Å²	65	64.4 Å²	64.4	25%	0.245	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-41.8	178	-175.3	55.9	178.1	151.7	6.2	112.1	A31 V34 D35 E86 A87 R92 E93 Y94	A31-R90 HydrophobicContact CB-CB 3.77Å; A31-R90 HydrophobicContact CB-CG 3.91Å; V34-R90 HydrophobicContact CB-CB 4.41Å; V34-R90 HydrophobicContact CB-CG 4.13Å; V34-R90 HydrophobicContact CG1-CB 4.24Å; V34-R90 HydrophobicContact CG1-CG 3.86Å; D35-R90 IonicContact OD1-CZ 2.66Å; D35-R90 IonicContact OD1-NE 2.88Å; D35-R90 PolarHBondContact OD1-NE 3.33Å; D35-R90 IonicContact OD1-NH2 3.62Å; D35-R90 PolarHBondContact OD1-NH2 2.96Å; D35-R90 IonicContact OD2-CZ 3.64Å; D35-R90 IonicContact OD2-NE 3.11Å; D35-R90 IonicContact OD2-NH2 3.88Å; D35-R90 PolarHBondContact OD2-NH2 3.48Å; E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 2.95Å; A87-R90 PolarHBondContact O-N 3.47Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.29Å; R90-E93 WeakPolarHBondContact CD-OE2 3.25Å; R90-E93 IonicContact CZ-OE2 3.41Å; R90-E93 IonicContact NE-OE2 3.77Å; R90-E93 IonicContact NH1-OE2 2.78Å; R90-E93 PolarHBondContact NH1-OE2 3.42Å; R90-E93 WeakPolarHBondContact O-CB 3.38Å; R90-E93 PolarHBondContact O-N 3.47Å; R90-Y94 PolarHBondContact NH2-OH 3.34Å; R90-Y94 WeakPolarHBondContact O-CD2 3.34Å
91	A	98.3	Very high	96.9	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-40.6	176.5	0	0	0	0	0	111.5	V34 V79 A87 T88 Q89 E93 Y94 F95	V34-A91 HydrophobicContact CG1-CB 4Å; V34-A91 HydrophobicContact CG2-CB 4.46Å; V79-A91 HydrophobicContact CG1-CB 4.08Å; V79-A91 HydrophobicContact CG2-CB 4.13Å; A87-A91 WeakPolarHBondContact O-CB 3.27Å; A87-A91 PolarHBondContact O-N 3.35Å; T88-A91 PolarHBondContact O-N 3Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 2.88Å; A91-E93 PolarHBondContact O-N 3.37Å; A91-Y94 WeakPolarHBondContact O-CB 3.32Å; A91-Y94 PolarHBondContact O-N 3.33Å; A91-F95 HydrophobicContact CB-CE2 4.12Å; A91-F95 HydrophobicContact CB-CZ 3.99Å; A91-F95 WeakPolarHBondContact O-CE1 3.48Å; A91-F95 WeakPolarHBondContact O-CE2 3.47Å; A91-F95 WeakPolarHBondContact O-CZ 3.33Å
92	R	97.9	Very high	96.8	Very high	83 Å²	83	66 Å²	66	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-27	177.5	-74.4	166.3	172.7	177.9	-3.9	113.8	T88 Q89 R90 Y94 F95 S101	T88-R92 WeakPolarHBondContact O-CD 3.29Å; T88-R92 VanDerWaalsContact O-CG 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; T88-R92 PolarHBondContact O-N 3.1Å; T88-R92 VanDerWaalsContact O-N 3.08Å; Q89-R92 WeakPolarHBondContact O-CB 3.49Å; Q89-R92 PolarHBondContact O-N 3.35Å; R90-R92 VanDerWaalsContact C-N 3.3Å; R90-R92 PolarHBondContact O-N 3.29Å; R92-Y94 PolarHBondContact O-N 3.22Å; R92-F95 HydrophobicContact CG-CD2 4.32Å; R92-F95 PolarHBondContact O-N 2.81Å; R92-F95 VanDerWaalsContact O-N 3.09Å; R92-S101 PolarHBondContact NH2-O 3.44Å
93	E	97.6	Very high	97	Very high	100 Å²	100	63.8 Å²	63.8	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-67.1	-23.2	174.8	-66.3	170.7	-172.8	0	0	112.6	Q89 R90 A91	Q89-E93 PolarHBondContact O-N 3.41Å; R90-E93 WeakPolarHBondContact CD-OE2 3.25Å; R90-E93 IonicContact CZ-OE2 3.41Å; R90-E93 IonicContact NE-OE2 3.77Å; R90-E93 IonicContact NH1-OE2 2.78Å; R90-E93 PolarHBondContact NH1-OE2 3.42Å; R90-E93 WeakPolarHBondContact O-CB 3.38Å; R90-E93 PolarHBondContact O-N 3.47Å; A91-E93 PolarHBondContact O-N 3.37Å
94	Y	98	Very high	97.1	Very high	27 Å²	27	59.9 Å²	59.9	11%	0.106	32%	0.316	C	S	.	.	H	α-helix	trans	-79.2	-18.6	171.6	-71.5	-98.1	0	0	0	112.9	V34 D35 L38 K39 R90 A91 R92 E96 I113	V34-Y94 HydrophobicContact CG1-CD2 4.44Å; V34-Y94 HydrophobicContact CG1-CE2 4.19Å; D35-Y94 WeakPolarHBondContact OD1-CE2 3.48Å; D35-Y94 PolarHBondContact OD1-OH 3.18Å; L38-Y94 HydrophobicContact CB-CD1 4.09Å; L38-Y94 HydrophobicContact CB-CD2 4.49Å; L38-Y94 HydrophobicContact CB-CE1 3.94Å; L38-Y94 HydrophobicContact CB-CE2 4.36Å; L38-Y94 HydrophobicContact CB-CG 4.37Å; L38-Y94 HydrophobicContact CD1-CD1 4.39Å; L38-Y94 HydrophobicContact CD1-CD2 3.75Å; L38-Y94 HydrophobicContact CD1-CE2 4.22Å; L38-Y94 HydrophobicContact CD1-CG 3.85Å; K39-Y94 WeakPolarHBondContact CE-OH 3.43Å; K39-Y94 HydrophobicContact CG-CE1 4.39Å; K39-Y94 WeakPolarHBondContact CG-OH 3.39Å; R90-Y94 PolarHBondContact NH2-OH 3.34Å; R90-Y94 WeakPolarHBondContact O-CD2 3.34Å; A91-Y94 WeakPolarHBondContact O-CB 3.32Å; A91-Y94 PolarHBondContact O-N 3.33Å; R92-Y94 PolarHBondContact O-N 3.22Å; Y94-E96 PolarHBondContact O-N 3.16Å; Y94-I113 WeakPolarHBondContact O-CB 3.37Å; Y94-I113 WeakPolarHBondContact O-CG2 3.23Å
95	F	97.3	Very high	97.2	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.026	31%	0.31	C	S	.	.	S	Bend	trans	-92.8	48	-173.9	-48.6	-27	0	0	0	111.3	V46 I48 A91 R92 G97 Y98 A106 V108 I113 M116	V46-F95 HydrophobicContact CB-CZ 4.02Å; V46-F95 HydrophobicContact CG1-CZ 3.99Å; V46-F95 HydrophobicContact CG2-CE1 4.36Å; V46-F95 HydrophobicContact CG2-CZ 4.18Å; I48-F95 HydrophobicContact CD1-CE2 3.71Å; I48-F95 HydrophobicContact CD1-CZ 4.22Å; I48-F95 HydrophobicContact CG1-CE2 3.99Å; A91-F95 HydrophobicContact CB-CE2 4.12Å; A91-F95 HydrophobicContact CB-CZ 3.99Å; A91-F95 WeakPolarHBondContact O-CE1 3.48Å; A91-F95 WeakPolarHBondContact O-CE2 3.47Å; A91-F95 WeakPolarHBondContact O-CZ 3.33Å; R92-F95 HydrophobicContact CG-CD2 4.32Å; R92-F95 PolarHBondContact O-N 2.81Å; R92-F95 VanDerWaalsContact O-N 3.09Å; F95-G97 PolarHBondContact O-N 3.25Å; F95-Y98 PolarHBondContact O-N 3.46Å; F95-Y98 VanDerWaalsContact O-N 3.13Å; F95-A106 HydrophobicContact CD1-CB 3.68Å; F95-A106 HydrophobicContact CD2-CB 4.18Å; F95-A106 HydrophobicContact CE1-CB 3.43Å; F95-A106 VanDerWaalsContact CE1-CB 3.43Å; F95-A106 HydrophobicContact CE2-CB 3.97Å; F95-A106 HydrophobicContact CG-CB 4.07Å; F95-A106 HydrophobicContact CZ-CB 3.59Å; F95-V108 HydrophobicContact CD1-CG2 4.35Å; F95-V108 HydrophobicContact CE1-CG2 3.82Å; F95-I113 HydrophobicContact CD1-CD1 3.93Å; F95-M116 HydrophobicContact CB-SD 4.3Å; F95-M116 HydrophobicContact CD2-SD 4.37Å; F95-M116 HydrophobicContact CG-SD 4.47Å
96	E	94.9	Very high	97.3	Very high	159 Å²	159	51.7 Å²	51.7	74%	0.743	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	134.8	-177.3	-64	-175.9	-176	0	0	111.8	Y94 Y98	Y94-E96 PolarHBondContact O-N 3.16Å; E96-Y98 VanDerWaalsContact C-N 3.32Å
97	G	96.1	Very high	97.3	Very high	89 Å²	89	44.7 Å²	44.7	92%	0.918	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	-10.8	-178.4	0	0	0	0	0	115.2	F95	F95-G97 PolarHBondContact O-N 3.25Å
98	Y	97	Very high	97.3	Very high	76 Å²	76	44.8 Å²	44.8	30%	0.298	25%	0.248	S	C	.	.	S	Bend	trans	-103.4	142.5	177.4	-67.5	-83.8	0	0	0	112.5	F95 E96 I113 M116 E118	F95-Y98 PolarHBondContact O-N 3.46Å; F95-Y98 VanDerWaalsContact O-N 3.13Å; E96-Y98 VanDerWaalsContact C-N 3.32Å; Y98-I113 HydrophobicContact CD2-CG1 4.06Å; Y98-I113 HydrophobicContact CE2-CG1 3.83Å; Y98-M116 HydrophobicContact CD1-CB 3.7Å; Y98-M116 HydrophobicContact CD1-CG 4.43Å; Y98-M116 HydrophobicContact CD1-SD 4.19Å; Y98-M116 HydrophobicContact CD2-CB 4.08Å; Y98-M116 HydrophobicContact CD2-SD 4.4Å; Y98-M116 HydrophobicContact CE1-CB 3.65Å; Y98-M116 HydrophobicContact CE2-CB 4.04Å; Y98-M116 HydrophobicContact CG-CB 3.9Å; Y98-M116 HydrophobicContact CG-CG 4.48Å; Y98-M116 HydrophobicContact CG-SD 3.81Å; Y98-E118 HydrophobicContact CD1-CG 4.19Å
99	A	95.1	Very high	97.3	Very high	60 Å²	60	47.8 Å²	47.8	50%	0.496	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-76	141.1	176	0	0	0	0	0	110.9	S101	A99-S101 PolarHBondContact O-N 2.89Å; A99-S101 VanDerWaalsContact O-N 3.11Å
100	P	95.9	Very high	97.2	Very high	97 Å²	97	45.8 Å²	45.8	63%	0.63	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-58.9	117.7	174.5	-25.6	34.9	0	0	0	111.9
101	S	95.7	Very high	97.1	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	25%	0.254	C	S	.	.			trans	-137	165.4	173	67.2	0	0	0	0	111.3	R92 A99 S104 R119	R92-S101 PolarHBondContact NH2-O 3.44Å; A99-S101 PolarHBondContact O-N 2.89Å; A99-S101 VanDerWaalsContact O-N 3.11Å; S101-S104 PolarHBondContact O-OG 2.69Å; S101-R119 PolarHBondContact OG-N 2.85Å
102	S	95.8	Very high	97.1	Very high	27 Å²	27	51.3 Å²	51.3	19%	0.189	29%	0.286	C	S	.	.	S	Bend	trans	-156.8	140.6	169	59.3	0	0	0	0	111	R119	S102-R119 WeakPolarHBondContact O-CD 3.49Å; S102-R119 PolarHBondContact O-NH1 3.2Å
103	P	97.8	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	S	Bend	cis	-68.1	155.9	-7.5	34.2	-38.5	0	0	0	111.6	I48 C52 C54 A55 A59 R119 I122	I48-P103 VanDerWaalsContact O-CA 3.29Å; I48-P103 WeakPolarHBondContact O-CA 3.4Å; C52-P103 WeakPolarHBondContact SG-CD 3.33Å; C54-P103 WeakPolarHBondContact SG-CD 3.48Å; A55-P103 HydrophobicContact CB-CB 3.91Å; A55-P103 HydrophobicContact CB-CG 4Å; A59-P103 HydrophobicContact CB-CB 3.62Å; A59-P103 HydrophobicContact CB-CG 3.88Å; P103-R119 VanDerWaalsContact O-CA 3.27Å; P103-R119 WeakPolarHBondContact O-CA 3.41Å; P103-R119 WeakPolarHBondContact O-CB 3.26Å; P103-I122 HydrophobicContact CG-CD1 4.44Å; P103-I122 HydrophobicContact CG-CG2 4.18Å
104	S	98.2	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	162.9	174.9	51.8	0	0	0	0	110.3	I48 S101 M116 I117	I48-S104 WeakPolarHBondContact CB-OG 3.14Å; I48-S104 WeakPolarHBondContact CD1-O 3.23Å; I48-S104 WeakPolarHBondContact CD1-OG 3.39Å; I48-S104 PolarHBondContact N-O 3.05Å; I48-S104 PolarHBondContact O-N 3.37Å; S101-S104 PolarHBondContact O-OG 2.69Å; S104-M116 VanDerWaalsContact CB-CE 3.42Å; S104-M116 WeakPolarHBondContact OG-CE 3.29Å; S104-I117 CarbonylContact C-O 3.51Å; S104-I117 VanDerWaalsContact CA-O 3.29Å; S104-I117 WeakPolarHBondContact CA-O 3.47Å; S104-I117 VanDerWaalsContact CB-O 3.25Å; S104-I117 WeakPolarHBondContact CB-O 3.35Å
105	F	98.5	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.4	174.8	-62.1	-85.5	0	0	0	110.3	L45 V46 M47 A59 A63 M116 I117 I122 V130 L134	L45-F105 HydrophobicContact CD1-CB 4.16Å; L45-F105 HydrophobicContact CD1-CD1 4.45Å; V46-F105 CarbonylContact O-C 3.56Å; V46-F105 WeakPolarHBondContact O-CA 3.24Å; M47-F105 HydrophobicContact CB-CD1 3.93Å; M47-F105 HydrophobicContact CB-CE1 3.73Å; M47-F105 HydrophobicContact CE-CE1 4.5Å; M47-F105 HydrophobicContact CE-CZ 4.26Å; M47-F105 HydrophobicContact CG-CD1 4.06Å; M47-F105 HydrophobicContact CG-CE1 3.53Å; M47-F105 HydrophobicContact CG-CZ 4.13Å; M47-F105 HydrophobicContact SD-CE1 3.78Å; M47-F105 HydrophobicContact SD-CZ 4.07Å; A59-F105 HydrophobicContact CB-CE2 4.04Å; A59-F105 HydrophobicContact CB-CZ 4.04Å; A59-F105 WeakPolarHBondContact O-CZ 3.43Å; A63-F105 HydrophobicContact CB-CE1 3.64Å; A63-F105 HydrophobicContact CB-CZ 3.81Å; F105-M116 CarbonylContact O-C 3.57Å; F105-M116 VanDerWaalsContact O-CA 3.23Å; F105-M116 WeakPolarHBondContact O-CA 3.24Å; F105-M116 WeakPolarHBondContact O-CG 3.28Å; F105-I117 HydrophobicContact CB-CB 4.25Å; F105-I117 HydrophobicContact CD2-CB 4.44Å; F105-I117 PolarHBondContact N-O 3.05Å; F105-I117 PolarHBondContact O-N 2.96Å; F105-I122 HydrophobicContact CD2-CD1 3.82Å; F105-I122 HydrophobicContact CE2-CD1 3.84Å; F105-V130 HydrophobicContact CE2-CG1 4.04Å; F105-L134 HydrophobicContact CB-CD2 3.92Å; F105-L134 HydrophobicContact CD1-CD2 4.04Å; F105-L134 HydrophobicContact CD2-CD2 4.19Å; F105-L134 HydrophobicContact CE1-CD1 4.48Å; F105-L134 HydrophobicContact CE2-CD1 4.4Å; F105-L134 HydrophobicContact CG-CD2 3.78Å; F105-L134 HydrophobicContact CZ-CD1 4.37Å
106	A	98.5	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132	175	0	0	0	0	0	109.3	V46 I48 F95 I113 M116	V46-A106 HydrophobicContact CB-CB 4.44Å; V46-A106 PolarHBondContact N-O 2.91Å; V46-A106 PolarHBondContact O-N 3.4Å; I48-A106 HydrophobicContact CD1-CB 4.25Å; F95-A106 HydrophobicContact CD1-CB 3.68Å; F95-A106 HydrophobicContact CD2-CB 4.18Å; F95-A106 HydrophobicContact CE1-CB 3.43Å; F95-A106 VanDerWaalsContact CE1-CB 3.43Å; F95-A106 HydrophobicContact CE2-CB 3.97Å; F95-A106 HydrophobicContact CG-CB 4.07Å; F95-A106 HydrophobicContact CZ-CB 3.59Å; A106-I113 HydrophobicContact CB-CD1 3.8Å; A106-M116 HydrophobicContact CB-CG 4.01Å; A106-M116 HydrophobicContact CB-SD 4.42Å
107	L	98.4	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.7	170.4	-174.9	73.2	0	0	0	109.6	L45 P73 I113 T114 E115 L137 Y141	L45-L107 HydrophobicContact CB-CD1 4.21Å; P73-L107 HydrophobicContact CB-CD1 4.25Å; P73-L107 HydrophobicContact CG-CD1 4.2Å; L107-I113 WeakPolarHBondContact O-CD1 3.28Å; L107-T114 WeakPolarHBondContact CB-OG1 3.35Å; L107-T114 PolarHBondContact O-N 3.38Å; L107-T114 PolarHBondContact O-OG1 2.85Å; L107-E115 PolarHBondContact N-O 3.38Å; L107-L137 HydrophobicContact CB-CD2 3.3Å; L107-L137 HydrophobicContact CB-CG 4.29Å; L107-L137 HydrophobicContact CD2-CD2 3.82Å; L107-L137 HydrophobicContact CD2-CG 4.12Å; L107-L137 HydrophobicContact CG-CD2 4.11Å; L107-Y141 VanDerWaalsContact CD2-CB 3.46Å; L107-Y141 HydrophobicContact CD2-CD2 3.83Å; L107-Y141 HydrophobicContact CD2-CG 4Å
108	V	98.3	Very high	97.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.6	176.9	179.2	0	0	0	0	107.6	L38 T43 T44 V46 F95 K112	L38-V108 HydrophobicContact CD2-CB 4.4Å; L38-V108 HydrophobicContact CD2-CG2 4.27Å; T43-V108 CarbonylContact C-O 3.45Å; T43-V108 WeakPolarHBondContact CA-O 3.41Å; T44-V108 PolarHBondContact N-O 3.02Å; T44-V108 PolarHBondContact O-N 2.82Å; V46-V108 HydrophobicContact CG2-CG2 4.3Å; F95-V108 HydrophobicContact CD1-CG2 4.35Å; F95-V108 HydrophobicContact CE1-CG2 3.82Å; V108-K112 CarbonylContact C-O 3.55Å; V108-K112 WeakPolarHBondContact CA-O 3.3Å
109	K	97.6	Very high	97.3	Very high	66 Å²	66	38.5 Å²	38.5	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125	173.5	-175	171	-174.8	163.4	0	109.1	G42 T43 G111 K112 T114 Y141	G42-K109 WeakPolarHBondContact O-CA 3.02Å; T43-K109 HydrophobicContact CG2-CB 4.21Å; T43-K109 HydrophobicContact CG2-CD 3.95Å; T43-K109 HydrophobicContact CG2-CG 3.95Å; K109-G111 VanDerWaalsContact C-N 3.28Å; K109-G111 PolarHBondContact O-N 2.85Å; K109-K112 PolarHBondContact N-O 3.28Å; K109-K112 PolarHBondContact O-N 3.07Å; K109-T114 HydrophobicContact CB-CG2 3.53Å; K109-Y141 PolarHBondContact NZ-O 3.1Å
110	D	96.5	Very high	97.4	Very high	82 Å²	82	41.2 Å²	41.2	44%	0.439	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	46.5	177	-49.2	-41.2	0	0	0	112.7	D41 G42 K112	D41-D110 WeakPolarHBondContact CA-OD1 3.3Å; G42-D110 PolarHBondContact N-OD1 2.99Å; G42-D110 PolarHBondContact O-N 3.36Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 2.82Å
111	G	96.5	Very high	97.4	Very high	24 Å²	24	38.9 Å²	38.9	25%	0.247	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	3.7	-179.4	0	0	0	0	0	116.5	L38 K109	L38-G111 WeakPolarHBondContact O-CA 3.35Å; L38-G111 PolarHBondContact O-N 3.06Å; K109-G111 VanDerWaalsContact C-N 3.28Å; K109-G111 PolarHBondContact O-N 2.85Å
112	K	97.3	Very high	97.5	Very high	159 Å²	159	37.9 Å²	37.9	69%	0.691	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.4	-177.9	-63.9	-176.1	-179.7	179.1	0	112.2	V108 K109 D110 T114	V108-K112 CarbonylContact C-O 3.55Å; V108-K112 WeakPolarHBondContact CA-O 3.3Å; K109-K112 PolarHBondContact N-O 3.28Å; K109-K112 PolarHBondContact O-N 3.07Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 2.82Å; K112-T114 PolarHBondContact O-N 3.37Å
113	I	97.8	Very high	97.4	Very high	36 Å²	36	41 Å²	41	19%	0.185	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	132.2	171.4	-175.5	61.3	0	0	0	110.3	Y94 F95 Y98 A106 L107	Y94-I113 WeakPolarHBondContact O-CB 3.37Å; Y94-I113 WeakPolarHBondContact O-CG2 3.23Å; F95-I113 HydrophobicContact CD1-CD1 3.93Å; Y98-I113 HydrophobicContact CD2-CG1 4.06Å; Y98-I113 HydrophobicContact CE2-CG1 3.83Å; A106-I113 HydrophobicContact CB-CD1 3.8Å; L107-I113 WeakPolarHBondContact O-CD1 3.28Å
114	T	97.7	Very high	97.2	Very high	35 Å²	35	44.9 Å²	44.9	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-59	171.2	63.8	0	0	0	0	110.4	L107 K109 K112 Y141	L107-T114 WeakPolarHBondContact CB-OG1 3.35Å; L107-T114 PolarHBondContact O-N 3.38Å; L107-T114 PolarHBondContact O-OG1 2.85Å; K109-T114 HydrophobicContact CB-CG2 3.53Å; K112-T114 PolarHBondContact O-N 3.37Å; T114-Y141 HydrophobicContact CG2-CD1 3.91Å; T114-Y141 HydrophobicContact CG2-CE1 4.2Å; T114-Y141 HydrophobicContact CG2-CG 4.18Å
115	E	97.7	Very high	97	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	151.8	-177.1	-170.2	167.8	167.6	0	0	110.1	L107 L137 K140 Y141	L107-E115 PolarHBondContact N-O 3.38Å; E115-L137 HydrophobicContact CB-CD1 3.7Å; E115-L137 HydrophobicContact CG-CD1 3.7Å; E115-K140 IonicContact OE2-NZ 2.69Å; E115-K140 PolarHBondContact OE2-NZ 3.12Å; E115-Y141 HydrophobicContact CB-CE2 3.85Å; E115-Y141 PolarHBondContact OE2-OH 3.15Å
116	M	98	Very high	96.9	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.044	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.9	-176.9	-163.9	174.4	165.1	0	0	110.2	I48 F95 Y98 S104 F105 A106	I48-M116 HydrophobicContact CD1-CE 4.34Å; F95-M116 HydrophobicContact CB-SD 4.3Å; F95-M116 HydrophobicContact CD2-SD 4.37Å; F95-M116 HydrophobicContact CG-SD 4.47Å; Y98-M116 HydrophobicContact CD1-CB 3.7Å; Y98-M116 HydrophobicContact CD1-CG 4.43Å; Y98-M116 HydrophobicContact CD1-SD 4.19Å; Y98-M116 HydrophobicContact CD2-CB 4.08Å; Y98-M116 HydrophobicContact CD2-SD 4.4Å; Y98-M116 HydrophobicContact CE1-CB 3.65Å; Y98-M116 HydrophobicContact CE2-CB 4.04Å; Y98-M116 HydrophobicContact CG-CB 3.9Å; Y98-M116 HydrophobicContact CG-CG 4.48Å; Y98-M116 HydrophobicContact CG-SD 3.81Å; S104-M116 VanDerWaalsContact CB-CE 3.42Å; S104-M116 WeakPolarHBondContact OG-CE 3.29Å; F105-M116 CarbonylContact O-C 3.57Å; F105-M116 VanDerWaalsContact O-CA 3.23Å; F105-M116 WeakPolarHBondContact O-CA 3.24Å; F105-M116 WeakPolarHBondContact O-CG 3.28Å; A106-M116 HydrophobicContact CB-CG 4.01Å; A106-M116 HydrophobicContact CB-SD 4.42Å
117	I	97.9	Very high	96.8	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	103.8	165.7	-57	171.3	0	0	0	106.7	S104 F105 Q121 I122 Q133 L134	S104-I117 CarbonylContact C-O 3.51Å; S104-I117 VanDerWaalsContact CA-O 3.29Å; S104-I117 WeakPolarHBondContact CA-O 3.47Å; S104-I117 VanDerWaalsContact CB-O 3.25Å; S104-I117 WeakPolarHBondContact CB-O 3.35Å; F105-I117 HydrophobicContact CB-CB 4.25Å; F105-I117 HydrophobicContact CD2-CB 4.44Å; F105-I117 PolarHBondContact N-O 3.05Å; F105-I117 PolarHBondContact O-N 2.96Å; I117-Q121 HydrophobicContact CG2-CB 3.82Å; I117-I122 HydrophobicContact CG2-CD1 4.19Å; I117-I122 HydrophobicContact CG2-CG1 3.83Å; I117-Q133 HydrophobicContact CD1-CB 3.67Å; I117-Q133 HydrophobicContact CG1-CB 4.36Å; I117-L134 HydrophobicContact CD1-CB 4.48Å; I117-L134 HydrophobicContact CD1-CD2 3.67Å; I117-L134 HydrophobicContact CD1-CG 3.76Å
118	E	97.6	Very high	96.7	Very high	45 Å²	45	60.5 Å²	60.5	21%	0.21	32%	0.317	C	S	.	.			trans	-77.3	164.2	-177.5	-68.2	-177.3	56.3	0	0	112.3	Y98 H120 Q121	Y98-E118 HydrophobicContact CD1-CG 4.19Å; E118-H120 WeakPolarHBondContact CB-ND1 3.36Å; E118-H120 PolarHBondContact O-N 3.3Å; E118-H120 VanDerWaalsContact O-N 3.11Å; E118-H120 IonicContact OE1-CE1 3.72Å; E118-H120 IonicContact OE1-ND1 3.66Å; E118-H120 IonicContact OE2-CE1 3.8Å; E118-Q121 WeakPolarHBondContact O-CB 3.26Å; E118-Q121 PolarHBondContact O-N 2.86Å
119	R	97.6	Very high	96.7	Very high	79 Å²	79	63.2 Å²	63.2	30%	0.298	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-50.3	-40.8	178.7	179.3	-173.7	173.9	125.8	-2.5	113.3	S101 S102 P103 Q121 I122 E123	S101-R119 PolarHBondContact OG-N 2.85Å; S102-R119 WeakPolarHBondContact O-CD 3.49Å; S102-R119 PolarHBondContact O-NH1 3.2Å; P103-R119 VanDerWaalsContact O-CA 3.27Å; P103-R119 WeakPolarHBondContact O-CA 3.41Å; P103-R119 WeakPolarHBondContact O-CB 3.26Å; R119-Q121 PolarHBondContact O-N 3.26Å; R119-I122 PolarHBondContact O-N 2.87Å; R119-E123 HydrophobicContact CG-CB 4.3Å; R119-E123 IonicContact CZ-OE1 2.69Å; R119-E123 IonicContact CZ-OE2 3.8Å; R119-E123 IonicContact NE-OE1 3.56Å; R119-E123 IonicContact NE-OE2 3.91Å; R119-E123 PolarHBondContact NE-OE2 2.79Å; R119-E123 IonicContact NH2-OE1 2.76Å; R119-E123 PolarHBondContact NH2-OE1 3.07Å; R119-E123 IonicContact NH2-OE2 2.8Å; R119-E123 PolarHBondContact NH2-OE2 3.27Å; R119-E123 WeakPolarHBondContact O-CB 3.48Å; R119-E123 PolarHBondContact O-N 3.49Å
120	H	95.8	Very high	96.7	Very high	118 Å²	118	60.1 Å²	60.1	55%	0.546	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-67.4	-18.1	-177	71.7	-93.3	0	0	0	113.4	E118 H125	E118-H120 WeakPolarHBondContact CB-ND1 3.36Å; E118-H120 PolarHBondContact O-N 3.3Å; E118-H120 VanDerWaalsContact O-N 3.11Å; E118-H120 IonicContact OE1-CE1 3.72Å; E118-H120 IonicContact OE1-ND1 3.66Å; E118-H120 IonicContact OE2-CE1 3.8Å; H120-H125 PolarHBondContact O-CE1 3.08Å
121	Q	96.3	Very high	96.7	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-89.7	-6.2	173.9	-60.5	171.2	-100	0	0	112.7	I117 E118 R119 Q133	I117-Q121 HydrophobicContact CG2-CB 3.82Å; E118-Q121 WeakPolarHBondContact O-CB 3.26Å; E118-Q121 PolarHBondContact O-N 2.86Å; R119-Q121 PolarHBondContact O-N 3.26Å; Q121-Q133 PolarHBondContact O-NE2 3.06Å
122	I	97	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-49.4	179.2	-59.9	170.8	0	0	0	109.6	I58 A59 P103 F105 I117 R119 G124 H125 V130	I58-I122 HydrophobicContact CB-CG2 4.09Å; I58-I122 WeakPolarHBondContact CD1-O 3.35Å; I58-I122 HydrophobicContact CG2-CG2 3.84Å; A59-I122 HydrophobicContact CB-CG2 4.13Å; P103-I122 HydrophobicContact CG-CD1 4.44Å; P103-I122 HydrophobicContact CG-CG2 4.18Å; F105-I122 HydrophobicContact CD2-CD1 3.82Å; F105-I122 HydrophobicContact CE2-CD1 3.84Å; I117-I122 HydrophobicContact CG2-CD1 4.19Å; I117-I122 HydrophobicContact CG2-CG1 3.83Å; R119-I122 PolarHBondContact O-N 2.87Å; I122-G124 PolarHBondContact O-N 2.94Å; I122-H125 PolarHBondContact O-N 3.37Å; I122-H125 VanDerWaalsContact O-N 3.16Å; I122-V130 HydrophobicContact CB-CG2 4.42Å; I122-V130 HydrophobicContact CG1-CG1 4.3Å; I122-V130 HydrophobicContact CG1-CG2 4.3Å; I122-V130 HydrophobicContact CG2-CG2 4.35Å
123	E	94.5	Very high	96.8	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	128.9	178.8	-174.9	165.4	-142.6	0	0	110.2	R119 H125	R119-E123 HydrophobicContact CG-CB 4.3Å; R119-E123 IonicContact CZ-OE1 2.69Å; R119-E123 IonicContact CZ-OE2 3.8Å; R119-E123 IonicContact NE-OE1 3.56Å; R119-E123 IonicContact NE-OE2 3.91Å; R119-E123 PolarHBondContact NE-OE2 2.79Å; R119-E123 IonicContact NH2-OE1 2.76Å; R119-E123 PolarHBondContact NH2-OE1 3.07Å; R119-E123 IonicContact NH2-OE2 2.8Å; R119-E123 PolarHBondContact NH2-OE2 3.27Å; R119-E123 WeakPolarHBondContact O-CB 3.48Å; R119-E123 PolarHBondContact O-N 3.49Å; E123-H125 PolarHBondContact O-N 2.8Å; E123-H125 PolarHBondContact O-ND1 2.93Å
124	G	92.9	Very high	96.8	Very high	80 Å²	80	52.1 Å²	52.1	83%	0.825	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	2.2	-177.7	0	0	0	0	0	115.4	I122	I122-G124 PolarHBondContact O-N 2.94Å
125	H	95.2	Very high	96.7	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.356	27%	0.271	S	S	.	.	S	Bend	trans	-102.8	160.4	176.9	-64.4	71.3	0	0	0	111	I58 H120 I122 E123 N129 V130	I58-H125 VanDerWaalsContact CD1-O 3.23Å; I58-H125 WeakPolarHBondContact CD1-O 3.5Å; H120-H125 PolarHBondContact O-CE1 3.08Å; I122-H125 PolarHBondContact O-N 3.37Å; I122-H125 VanDerWaalsContact O-N 3.16Å; E123-H125 PolarHBondContact O-N 2.8Å; E123-H125 PolarHBondContact O-ND1 2.93Å; H125-N129 HydrophobicContact CB-CB 4.46Å; H125-N129 PolarHBondContact CD2-OD1 2.83Å; H125-V130 HydrophobicContact CB-CG2 4.47Å
126	D	95.5	Very high	96.7	Very high	99 Å²	99	53 Å²	53	53%	0.529	28%	0.284	S	S	.	.			trans	-82.8	161.5	172.2	67.4	70.9	0	0	0	111.8	M128 N129 V130	D126-M128 VanDerWaalsContact C-N 3.29Å; D126-M128 PolarHBondContact O-N 2.66Å; D126-M128 WeakPolarHBondContact OD1-CA 3.4Å; D126-M128 WeakPolarHBondContact OD1-CB 3.28Å; D126-M128 PolarHBondContact OD1-N 2.81Å; D126-N129 WeakPolarHBondContact O-CB 3.35Å; D126-N129 PolarHBondContact O-N 3.47Å; D126-N129 PolarHBondContact OD1-N 3.2Å; D126-V130 PolarHBondContact O-N 2.92Å
127	V	96.6	Very high	96.6	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-41	-178.7	-178.5	0	0	0	0	111.6	P61 A62 N129 V130 I131	P61-V127 HydrophobicContact CB-CG1 3.97Å; P61-V127 HydrophobicContact CB-CG2 4.35Å; A62-V127 HydrophobicContact CB-CG1 4.16Å; V127-N129 VanDerWaalsContact C-N 3.32Å; V127-N129 PolarHBondContact O-N 3.31Å; V127-V130 PolarHBondContact O-N 2.7Å; V127-I131 HydrophobicContact CG1-CD1 3.81Å; V127-I131 HydrophobicContact CG1-CG1 4.37Å; V127-I131 VanDerWaalsContact O-CG1 3.3Å; V127-I131 WeakPolarHBondContact O-CG1 3.46Å; V127-I131 PolarHBondContact O-N 2.93Å
128	M	96.9	Very high	96.6	Very high	111 Å²	111	52.7 Å²	52.7	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-35.8	-178.1	-71.4	-57.6	-54.6	0	0	111.9	D126 I131 N132	D126-M128 VanDerWaalsContact C-N 3.29Å; D126-M128 PolarHBondContact O-N 2.66Å; D126-M128 WeakPolarHBondContact OD1-CA 3.4Å; D126-M128 WeakPolarHBondContact OD1-CB 3.28Å; D126-M128 PolarHBondContact OD1-N 2.81Å; M128-I131 PolarHBondContact O-N 3.21Å; M128-I131 HydrophobicContact SD-CD1 3.79Å; M128-N132 VanDerWaalsContact O-CG 3.22Å; M128-N132 PolarHBondContact O-N 2.8Å; M128-N132 PolarHBondContact O-ND2 3.06Å
129	N	97.2	Very high	96.5	Very high	60 Å²	60	54.4 Å²	54.4	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-46	175.2	-172.5	-90.6	0	0	0	111.4	H125 D126 V127 N132 Q133	H125-N129 HydrophobicContact CB-CB 4.46Å; H125-N129 PolarHBondContact CD2-OD1 2.83Å; D126-N129 WeakPolarHBondContact O-CB 3.35Å; D126-N129 PolarHBondContact O-N 3.47Å; D126-N129 PolarHBondContact OD1-N 3.2Å; V127-N129 VanDerWaalsContact C-N 3.32Å; V127-N129 PolarHBondContact O-N 3.31Å; N129-N132 PolarHBondContact O-N 3.32Å; N129-Q133 WeakPolarHBondContact O-CG 3.39Å; N129-Q133 PolarHBondContact O-N 3.41Å; N129-Q133 PolarHBondContact OD1-NE2 3.45Å
130	V	97.7	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-37.3	178	-177.1	0	0	0	0	111.5	I58 A62 F105 I122 H125 D126 V127 N132 Q133 L134	I58-V130 HydrophobicContact CG2-CB 4.45Å; I58-V130 HydrophobicContact CG2-CG2 3.72Å; A62-V130 HydrophobicContact CB-CB 3.74Å; A62-V130 HydrophobicContact CB-CG1 3.61Å; F105-V130 HydrophobicContact CE2-CG1 4.04Å; I122-V130 HydrophobicContact CB-CG2 4.42Å; I122-V130 HydrophobicContact CG1-CG1 4.3Å; I122-V130 HydrophobicContact CG1-CG2 4.3Å; I122-V130 HydrophobicContact CG2-CG2 4.35Å; H125-V130 HydrophobicContact CB-CG2 4.47Å; D126-V130 PolarHBondContact O-N 2.92Å; V127-V130 PolarHBondContact O-N 2.7Å; V130-N132 PolarHBondContact O-N 2.88Å; V130-Q133 PolarHBondContact O-N 3.44Å; V130-L134 HydrophobicContact CG1-CD1 4.35Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.26Å
131	I	97.8	Very high	96.4	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-49.6	172.3	-70.6	163.9	0	0	0	110.7	A62 H65 A66 V127 M128 Q133 L134 Q135	A62-I131 HydrophobicContact CB-CG1 3.96Å; H65-I131 HydrophobicContact CB-CD1 3.45Å; H65-I131 VanDerWaalsContact CB-CD1 3.45Å; H65-I131 HydrophobicContact CB-CG1 4.05Å; A66-I131 HydrophobicContact CB-CG2 4.38Å; V127-I131 HydrophobicContact CG1-CD1 3.81Å; V127-I131 HydrophobicContact CG1-CG1 4.37Å; V127-I131 VanDerWaalsContact O-CG1 3.3Å; V127-I131 WeakPolarHBondContact O-CG1 3.46Å; V127-I131 PolarHBondContact O-N 2.93Å; M128-I131 PolarHBondContact O-N 3.21Å; M128-I131 HydrophobicContact SD-CD1 3.79Å; I131-Q133 VanDerWaalsContact C-N 3.31Å; I131-Q133 PolarHBondContact O-N 2.96Å; I131-L134 WeakPolarHBondContact O-CB 3.45Å; I131-L134 PolarHBondContact O-N 2.97Å; I131-Q135 HydrophobicContact CG2-CG 4.35Å; I131-Q135 WeakPolarHBondContact O-CG 3.32Å; I131-Q135 PolarHBondContact O-N 2.95Å
132	N	97.2	Very high	96.4	Very high	81 Å²	81	51.9 Å²	51.9	43%	0.433	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-38.3	-179.4	-69.5	-23.9	0	0	0	111.9	M128 N129 V130 T136	M128-N132 VanDerWaalsContact O-CG 3.22Å; M128-N132 PolarHBondContact O-N 2.8Å; M128-N132 PolarHBondContact O-ND2 3.06Å; N129-N132 PolarHBondContact O-N 3.32Å; V130-N132 PolarHBondContact O-N 2.88Å; N132-T136 WeakPolarHBondContact O-CB 3.16Å; N132-T136 PolarHBondContact O-N 3.22Å; N132-T136 PolarHBondContact O-OG1 3.46Å
133	Q	97.6	Very high	95.9	Very high	43 Å²	43	59.1 Å²	59.1	20%	0.201	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-46.3	174.2	-72.2	-177.9	75.1	0	0	111.1	I117 Q121 N129 V130 I131 T136 L137	I117-Q133 HydrophobicContact CD1-CB 3.67Å; I117-Q133 HydrophobicContact CG1-CB 4.36Å; Q121-Q133 PolarHBondContact O-NE2 3.06Å; N129-Q133 WeakPolarHBondContact O-CG 3.39Å; N129-Q133 PolarHBondContact O-N 3.41Å; N129-Q133 PolarHBondContact OD1-NE2 3.45Å; V130-Q133 PolarHBondContact O-N 3.44Å; I131-Q133 VanDerWaalsContact C-N 3.31Å; I131-Q133 PolarHBondContact O-N 2.96Å; Q133-T136 PolarHBondContact O-N 2.89Å; Q133-L137 PolarHBondContact O-N 3.16Å
134	L	98	Very high	95.2	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-48.7	176.5	-75.7	167.9	0	0	0	111.9	L45 A62 A66 F105 I117 V130 I131 T136 L137 F138	L45-L134 HydrophobicContact CD1-CD2 3.96Å; L45-L134 HydrophobicContact CD2-CD2 4.17Å; A62-L134 HydrophobicContact CB-CD1 4.45Å; A66-L134 HydrophobicContact CB-CB 3.82Å; A66-L134 HydrophobicContact CB-CD1 3.69Å; A66-L134 HydrophobicContact CB-CG 4.4Å; F105-L134 HydrophobicContact CB-CD2 3.92Å; F105-L134 HydrophobicContact CD1-CD2 4.04Å; F105-L134 HydrophobicContact CD2-CD2 4.19Å; F105-L134 HydrophobicContact CE1-CD1 4.48Å; F105-L134 HydrophobicContact CE2-CD1 4.4Å; F105-L134 HydrophobicContact CG-CD2 3.78Å; F105-L134 HydrophobicContact CZ-CD1 4.37Å; I117-L134 HydrophobicContact CD1-CB 4.48Å; I117-L134 HydrophobicContact CD1-CD2 3.67Å; I117-L134 HydrophobicContact CD1-CG 3.76Å; V130-L134 HydrophobicContact CG1-CD1 4.35Å; V130-L134 WeakPolarHBondContact O-CG 3.49Å; V130-L134 PolarHBondContact O-N 3.26Å; I131-L134 WeakPolarHBondContact O-CB 3.45Å; I131-L134 PolarHBondContact O-N 2.97Å; L134-T136 VanDerWaalsContact C-N 3.31Å; L134-T136 PolarHBondContact O-N 3.44Å; L134-L137 WeakPolarHBondContact O-CA 3.36Å; L134-L137 WeakPolarHBondContact O-CB 3.35Å; L134-L137 PolarHBondContact O-N 3.39Å; L134-L137 VanDerWaalsContact O-N 3.09Å; L134-F138 HydrophobicContact CB-CE1 4.35Å; L134-F138 HydrophobicContact CB-CE2 4.34Å; L134-F138 HydrophobicContact CB-CZ 3.92Å; L134-F138 HydrophobicContact CD2-CE1 4.36Å; L134-F138 HydrophobicContact CD2-CZ 4.32Å; L134-F138 WeakPolarHBondContact O-CD1 3.38Å; L134-F138 WeakPolarHBondContact O-CE1 3.49Å; L134-F138 WeakPolarHBondContact O-CG 3.49Å; L134-F138 PolarHBondContact O-N 2.98Å
135	Q	96.6	Very high	93.8	Very high	27 Å²	27	68.3 Å²	68.3	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-35.7	179.6	-70.3	175.9	-18.9	0	0	112.4	Y69 I131 L137 F138 N139	Y69-Q135 HydrophobicContact CD1-CB 4.08Å; Y69-Q135 HydrophobicContact CD1-CG 3.99Å; Y69-Q135 HydrophobicContact CD2-CB 4.39Å; Y69-Q135 VanDerWaalsContact CD2-CD 3.47Å; Y69-Q135 HydrophobicContact CD2-CG 3.92Å; Y69-Q135 HydrophobicContact CE1-CB 3.96Å; Y69-Q135 HydrophobicContact CE1-CG 4.34Å; Y69-Q135 HydrophobicContact CE2-CB 4.3Å; Y69-Q135 HydrophobicContact CE2-CG 4.29Å; Y69-Q135 HydrophobicContact CG-CB 4.3Å; Y69-Q135 HydrophobicContact CG-CG 3.77Å; I131-Q135 HydrophobicContact CG2-CG 4.35Å; I131-Q135 WeakPolarHBondContact O-CG 3.32Å; I131-Q135 PolarHBondContact O-N 2.95Å; Q135-L137 VanDerWaalsContact C-N 3.32Å; Q135-L137 PolarHBondContact O-N 3.45Å; Q135-F138 PolarHBondContact O-N 3.48Å; Q135-N139 PolarHBondContact O-N 3.05Å; Q135-N139 PolarHBondContact O-ND2 2.9Å
136	T	96.5	Very high	93.7	Very high	89 Å²	89	67.9 Å²	67.9	55%	0.546	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-42.4	172.3	-59	0	0	0	0	111	N132 Q133 L134 F138 N139 K140	N132-T136 WeakPolarHBondContact O-CB 3.16Å; N132-T136 PolarHBondContact O-N 3.22Å; N132-T136 PolarHBondContact O-OG1 3.46Å; Q133-T136 PolarHBondContact O-N 2.89Å; L134-T136 VanDerWaalsContact C-N 3.31Å; L134-T136 PolarHBondContact O-N 3.44Å; T136-F138 VanDerWaalsContact C-N 3.33Å; T136-N139 PolarHBondContact O-N 3.3Å; T136-K140 WeakPolarHBondContact O-CB 3.44Å; T136-K140 PolarHBondContact O-N 2.88Å; T136-K140 VanDerWaalsContact O-N 3.16Å
137	L	96.6	Very high	93.6	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-44.4	174.8	-146.8	95.3	0	0	0	111	L107 E115 Q133 L134 Q135 K140 Y141	L107-L137 HydrophobicContact CB-CD2 3.3Å; L107-L137 HydrophobicContact CB-CG 4.29Å; L107-L137 HydrophobicContact CD2-CD2 3.82Å; L107-L137 HydrophobicContact CD2-CG 4.12Å; L107-L137 HydrophobicContact CG-CD2 4.11Å; E115-L137 HydrophobicContact CB-CD1 3.7Å; E115-L137 HydrophobicContact CG-CD1 3.7Å; Q133-L137 PolarHBondContact O-N 3.16Å; L134-L137 WeakPolarHBondContact O-CA 3.36Å; L134-L137 WeakPolarHBondContact O-CB 3.35Å; L134-L137 PolarHBondContact O-N 3.39Å; L134-L137 VanDerWaalsContact O-N 3.09Å; Q135-L137 VanDerWaalsContact C-N 3.32Å; Q135-L137 PolarHBondContact O-N 3.45Å; L137-K140 PolarHBondContact O-N 3.25Å; L137-Y141 HydrophobicContact CG-CD2 4.33Å; L137-Y141 WeakPolarHBondContact O-CD2 3.46Å; L137-Y141 PolarHBondContact O-N 3.07Å
138	F	96.9	Very high	93.5	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-50.2	179.8	-55.2	-17.9	0	0	0	110.9	L45 A66 V71 L72 P73 L134 Q135 T136 K140 Y141 C142	L45-F138 HydrophobicContact CD1-CE1 4.16Å; L45-F138 HydrophobicContact CD2-CE1 3.73Å; L45-F138 HydrophobicContact CD2-CZ 3.65Å; L45-F138 HydrophobicContact CG-CE1 4.4Å; A66-F138 HydrophobicContact CB-CE2 4.18Å; A66-F138 HydrophobicContact CB-CZ 4.46Å; V71-F138 HydrophobicContact CG1-CB 4.24Å; V71-F138 WeakPolarHBondContact CG1-O 3.43Å; V71-F138 WeakPolarHBondContact O-CB 3.4Å; V71-F138 WeakPolarHBondContact O-CD2 3.4Å; L72-F138 HydrophobicContact CD2-CD2 4.25Å; L72-F138 HydrophobicContact CD2-CE2 4.26Å; P73-F138 HydrophobicContact CG-CD1 3.69Å; P73-F138 HydrophobicContact CG-CE1 3.52Å; P73-F138 HydrophobicContact CG-CG 4.36Å; P73-F138 HydrophobicContact CG-CZ 4.03Å; L134-F138 HydrophobicContact CB-CE1 4.35Å; L134-F138 HydrophobicContact CB-CE2 4.34Å; L134-F138 HydrophobicContact CB-CZ 3.92Å; L134-F138 HydrophobicContact CD2-CE1 4.36Å; L134-F138 HydrophobicContact CD2-CZ 4.32Å; L134-F138 WeakPolarHBondContact O-CD1 3.38Å; L134-F138 WeakPolarHBondContact O-CE1 3.49Å; L134-F138 WeakPolarHBondContact O-CG 3.49Å; L134-F138 PolarHBondContact O-N 2.98Å; Q135-F138 PolarHBondContact O-N 3.48Å; T136-F138 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 3.24Å; F138-K140 VanDerWaalsContact O-N 3.14Å; F138-Y141 PolarHBondContact O-N 3.01Å; F138-C142 WeakPolarHBondContact O-CA 3.27Å; F138-C142 VanDerWaalsContact O-CB 3.27Å; F138-C142 WeakPolarHBondContact O-CB 3.48Å; F138-C142 PolarHBondContact O-N 3.09Å
139	N	95.4	Very high	93.3	Very high	82 Å²	82	65.1 Å²	65.1	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-32.7	176.6	-78	-34.5	0	0	0	113.8	Y69 Q135 T136	Y69-N139 WeakPolarHBondContact CE1-ND2 3.31Å; Y69-N139 WeakPolarHBondContact CE1-OD1 3.33Å; Y69-N139 PolarHBondContact OH-ND2 2.88Å; Q135-N139 PolarHBondContact O-N 3.05Å; Q135-N139 PolarHBondContact O-ND2 2.9Å; T136-N139 PolarHBondContact O-N 3.3Å
140	K	96.3	Very high	93	Very high	123 Å²	123	65.4 Å²	65.4	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-78.4	-28.3	-176.2	-173	174.8	172.4	-162.2	0	112.9	E115 T136 L137 F138	E115-K140 IonicContact OE2-NZ 2.69Å; E115-K140 PolarHBondContact OE2-NZ 3.12Å; T136-K140 WeakPolarHBondContact O-CB 3.44Å; T136-K140 PolarHBondContact O-N 2.88Å; T136-K140 VanDerWaalsContact O-N 3.16Å; L137-K140 PolarHBondContact O-N 3.25Å; F138-K140 PolarHBondContact O-N 3.24Å; F138-K140 VanDerWaalsContact O-N 3.14Å
141	Y	96.7	Very high	92.7	Very high	53 Å²	53	69.7 Å²	69.7	21%	0.208	33%	0.326	C	S	.	.	H	α-helix	trans	-131.8	-22	-164.9	-65.6	-64.5	0	0	0	115.6	L107 K109 T114 E115 L137 F138	L107-Y141 VanDerWaalsContact CD2-CB 3.46Å; L107-Y141 HydrophobicContact CD2-CD2 3.83Å; L107-Y141 HydrophobicContact CD2-CG 4Å; K109-Y141 PolarHBondContact NZ-O 3.1Å; T114-Y141 HydrophobicContact CG2-CD1 3.91Å; T114-Y141 HydrophobicContact CG2-CE1 4.2Å; T114-Y141 HydrophobicContact CG2-CG 4.18Å; E115-Y141 HydrophobicContact CB-CE2 3.85Å; E115-Y141 PolarHBondContact OE2-OH 3.15Å; L137-Y141 HydrophobicContact CG-CD2 4.33Å; L137-Y141 WeakPolarHBondContact O-CD2 3.46Å; L137-Y141 PolarHBondContact O-N 3.07Å; F138-Y141 PolarHBondContact O-N 3.01Å
142	C	95.3	Very high	92.4	Very high	15 Å²	15	74.1 Å²	74.1	10%	0.101	35%	0.346	C	S	.	.	S	Bend	trans	-97.5	166.3	179.4	-54.1	0	0	0	0	111	T43 V71 F138	T43-C142 HydrophobicContact CG2-CB 4.44Å; V71-C142 HydrophobicContact CG1-CB 3.64Å; F138-C142 WeakPolarHBondContact O-CA 3.27Å; F138-C142 VanDerWaalsContact O-CB 3.27Å; F138-C142 WeakPolarHBondContact O-CB 3.48Å; F138-C142 PolarHBondContact O-N 3.09Å
143	E	87.6	Confident	92	Very high	152 Å²	152	73.5 Å²	73.5	71%	0.71	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-102.9	148.9	177.5	-64.1	-177.6	-176.7	0	0	110.3
144	E	78	Confident	91.5	Very high	154 Å²	154	76.1 Å²	76.1	72%	0.72	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-68.3	135.2	172.2	-165	175.1	-163	0	0	109.1	V71	V71-E144 HydrophobicContact CG2-CB 4.22Å; V71-E144 HydrophobicContact CG2-CG 4.39Å
145	R	64.2	Low	90.9	Very high	212 Å²	212	83 Å²	83	80%	0.8	38%	0.383	S	S	*	.			trans	-104.8	0	-175.6	-77.4	-175	164.7	-165.4	-7.5	112.8	D74	D74-R145 VanDerWaalsContact CA-NH2 3.27Å; D74-R145 IonicContact OD1-CZ 2.79Å; D74-R145 IonicContact OD1-NE 3.75Å; D74-R145 IonicContact OD1-NH2 3.51Å; D74-R145 PolarHBondContact OD1-NH2 3.17Å

Retrieved 145 of 145 residues in 364.4 ms (Link to these results)

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