A0A087WPX1_MOUSE Loading...

N-acyl-aliphatic-L-amino acid amidohydrolase

AlphaFold DB , UniProt , Accession A0A087WPX1, Species MOUSE (Mus musculus, Mouse), Gene Acy1, Length 219 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	63.5	Low	244 Å²	244	129.9 Å²	129.9	100%	1.202	70%	0.704	S	S	*	*				0	91.5	0	-73.1	173.2	177.4	0	0	107	T3	M1-T3 PolarHBondContact O-N 3.48Å
2	T	39	Very low	66.4	Low	140 Å²	140	121.1 Å²	121.1	86%	0.859	66%	0.659	S	S	*	*			trans	-80.7	114.4	176.5	31.1	0	0	0	0	108.1	K4	T2-K4 PolarHBondContact O-N 3.36Å; T2-K4 VanDerWaalsContact O-N 3.15Å
3	T	42.7	Very low	68.9	Low	139 Å²	139	115.2 Å²	115.2	85%	0.853	63%	0.629	S	S	*	*			trans	-56.3	111	170.2	42.3	0	0	0	0	108.7	M1 D5	M1-T3 PolarHBondContact O-N 3.48Å; T3-D5 PolarHBondContact O-N 3.15Å
4	K	47.6	Very low	71	Confident	173 Å²	173	111.2 Å²	111.2	75%	0.752	61%	0.61	S	S	*	*			trans	-66.7	122.1	170.3	-95.3	-178.7	172.8	-179.7	0	107.8	T2 P6	T2-K4 PolarHBondContact O-N 3.36Å; T2-K4 VanDerWaalsContact O-N 3.15Å; K4-P6 WeakPolarHBondContact O-CD 3.32Å
5	D	48.6	Very low	72.8	Confident	107 Å²	107	104.8 Å²	104.8	57%	0.572	58%	0.575	S	S	*	*			trans	-59.8	118.1	170.5	-161.9	-9.1	0	0	0	108.7	T3 E7 S8	T3-D5 PolarHBondContact O-N 3.15Å; D5-E7 PolarHBondContact O-N 3.03Å; D5-E7 VanDerWaalsContact O-N 3.07Å; D5-S8 PolarHBondContact O-N 3.09Å; D5-S8 VanDerWaalsContact O-N 3.08Å; D5-S8 PolarHBondContact O-OG 3.48Å
6	P	51.8	Low	74.5	Confident	131 Å²	131	100.1 Å²	100.1	85%	0.851	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.4	-174.1	16.4	-23.7	0	0	0	114	K4	K4-P6 WeakPolarHBondContact O-CD 3.32Å
7	E	58.1	Low	75.9	Confident	183 Å²	183	97 Å²	97	86%	0.855	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.7	176.4	-67.1	-164.8	159.9	0	0	114.7	D5 E9	D5-E7 PolarHBondContact O-N 3.03Å; D5-E7 VanDerWaalsContact O-N 3.07Å; E7-E9 PolarHBondContact O-N 2.93Å
8	S	84.3	Confident	77.2	Confident	76 Å²	76	96.4 Å²	96.4	53%	0.531	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-78.1	117.7	-177.3	63.8	0	0	0	0	112.1	D5 H10	D5-S8 PolarHBondContact O-N 3.09Å; D5-S8 VanDerWaalsContact O-N 3.08Å; D5-S8 PolarHBondContact O-OG 3.48Å; S8-H10 PolarHBondContact O-N 3.39Å
9	E	94.3	Very high	78.3	Confident	50 Å²	50	91.4 Å²	91.4	23%	0.234	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-60.4	134.1	176.3	-178.5	170.9	-104.8	0	0	111.1	E7 V13 T14 R17 K100	E7-E9 PolarHBondContact O-N 2.93Å; E9-V13 HydrophobicContact CG-CB 3.89Å; E9-V13 HydrophobicContact CG-CG1 3.84Å; E9-V13 WeakPolarHBondContact OE1-CG1 3.49Å; E9-T14 WeakPolarHBondContact CG-OG1 3.38Å; E9-T14 VanDerWaalsContact OE2-CA 3.3Å; E9-T14 WeakPolarHBondContact OE2-CA 3.22Å; E9-T14 WeakPolarHBondContact OE2-CB 3.32Å; E9-T14 PolarHBondContact OE2-OG1 2.9Å; E9-R17 VanDerWaalsContact OE1-CD 3.22Å; E9-R17 WeakPolarHBondContact OE1-CD 3.49Å; E9-R17 IonicContact OE1-CZ 3.62Å; E9-R17 IonicContact OE1-NE 3.23Å; E9-R17 IonicContact OE1-NH1 3.25Å; E9-R17 PolarHBondContact OE1-NH1 3.46Å; E9-R17 IonicContact OE2-NH1 2.74Å; E9-R17 PolarHBondContact OE2-NH1 2.9Å; E9-K100 WeakPolarHBondContact OE1-CE 3.39Å; E9-K100 IonicContact OE1-NZ 3.56Å; E9-K100 PolarHBondContact OE1-NZ 3Å
10	H	97.6	Very high	79.3	Confident	93 Å²	93	86.9 Å²	86.9	43%	0.431	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.6	134.1	177.3	-169.5	-86.6	0	0	0	110.6	S8 S12 V13 T14	S8-H10 PolarHBondContact O-N 3.39Å; H10-S12 PolarHBondContact CE1-OG 3.07Å; H10-S12 WeakPolarHBondContact ND1-CB 3.23Å; H10-S12 PolarHBondContact ND1-N 2.91Å; H10-S12 PolarHBondContact ND1-OG 3.08Å; H10-S12 VanDerWaalsContact ND1-OG 3.12Å; H10-S12 PolarHBondContact O-N 3.45Å; H10-S12 VanDerWaalsContact O-N 3.09Å; H10-V13 HydrophobicContact CB-CB 4.47Å; H10-V13 HydrophobicContact CB-CG2 4.1Å; H10-V13 WeakPolarHBondContact O-CA 3.3Å; H10-V13 WeakPolarHBondContact O-CB 3.41Å; H10-V13 PolarHBondContact O-N 3.16Å; H10-T14 PolarHBondContact O-N 3.35Å; H10-T14 VanDerWaalsContact O-N 3.08Å
11	P	97.3	Very high	80.3	Confident	93 Å²	93	87.7 Å²	87.7	60%	0.604	46%	0.464	S	S	*	.	H	α-helix	trans	-54.8	-36	-175.5	-29.2	35.1	0	0	0	114.7	V13 T14 L15	P11-V13 VanDerWaalsContact C-N 3.32Å; P11-V13 PolarHBondContact O-N 2.98Å; P11-T14 WeakPolarHBondContact O-CB 3.44Å; P11-T14 PolarHBondContact O-N 3.46Å; P11-L15 WeakPolarHBondContact O-CB 3.43Å; P11-L15 PolarHBondContact O-N 3.22Å
12	S	98.3	Very high	83.2	Confident	24 Å²	24	77.2 Å²	77.2	17%	0.168	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-34.8	174.8	-43.3	0	0	0	0	112.9	H10 F16 E123	H10-S12 PolarHBondContact CE1-OG 3.07Å; H10-S12 WeakPolarHBondContact ND1-CB 3.23Å; H10-S12 PolarHBondContact ND1-N 2.91Å; H10-S12 PolarHBondContact ND1-OG 3.08Å; H10-S12 VanDerWaalsContact ND1-OG 3.12Å; H10-S12 PolarHBondContact O-N 3.45Å; H10-S12 VanDerWaalsContact O-N 3.09Å; S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 3.32Å; S12-E123 WeakPolarHBondContact CB-OE2 3.34Å; S12-E123 PolarHBondContact OG-OE2 2.91Å
13	V	98.6	Very high	86	Confident	44 Å²	44	73 Å²	73	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-70.8	-42.2	175.2	176.3	0	0	0	0	109.8	E9 H10 P11 L15 F16 R17 K100 I106	E9-V13 HydrophobicContact CG-CB 3.89Å; E9-V13 HydrophobicContact CG-CG1 3.84Å; E9-V13 WeakPolarHBondContact OE1-CG1 3.49Å; H10-V13 HydrophobicContact CB-CB 4.47Å; H10-V13 HydrophobicContact CB-CG2 4.1Å; H10-V13 WeakPolarHBondContact O-CA 3.3Å; H10-V13 WeakPolarHBondContact O-CB 3.41Å; H10-V13 PolarHBondContact O-N 3.16Å; P11-V13 VanDerWaalsContact C-N 3.32Å; P11-V13 PolarHBondContact O-N 2.98Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.24Å; V13-F16 PolarHBondContact O-N 2.83Å; V13-R17 HydrophobicContact CG1-CG 4.39Å; V13-R17 VanDerWaalsContact O-CG 3.32Å; V13-R17 WeakPolarHBondContact O-CG 3.43Å; V13-R17 PolarHBondContact O-N 2.74Å; V13-K100 HydrophobicContact CG1-CD 4.34Å; V13-I106 HydrophobicContact CG1-CD1 3.71Å
14	T	98.3	Very high	88.6	Confident	60 Å²	60	66.4 Å²	66.4	37%	0.368	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-44.3	173.6	-55.5	0	0	0	0	111.6	E9 H10 P11 R17 Q18	E9-T14 WeakPolarHBondContact CG-OG1 3.38Å; E9-T14 VanDerWaalsContact OE2-CA 3.3Å; E9-T14 WeakPolarHBondContact OE2-CA 3.22Å; E9-T14 WeakPolarHBondContact OE2-CB 3.32Å; E9-T14 PolarHBondContact OE2-OG1 2.9Å; H10-T14 PolarHBondContact O-N 3.35Å; H10-T14 VanDerWaalsContact O-N 3.08Å; P11-T14 WeakPolarHBondContact O-CB 3.44Å; P11-T14 PolarHBondContact O-N 3.46Å; T14-R17 PolarHBondContact O-N 3.19Å; T14-Q18 WeakPolarHBondContact O-CB 3.25Å; T14-Q18 PolarHBondContact O-N 3.11Å
15	L	98.4	Very high	91.1	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-43.1	176	-177.6	65.2	0	0	0	111.8	P11 V13 Q18 Y19 F37 I119 E123	P11-L15 WeakPolarHBondContact O-CB 3.43Å; P11-L15 PolarHBondContact O-N 3.22Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.24Å; L15-Q18 WeakPolarHBondContact O-CB 3.27Å; L15-Q18 PolarHBondContact O-N 3.33Å; L15-Y19 PolarHBondContact O-N 3.44Å; L15-F37 HydrophobicContact CD1-CE2 3.78Å; L15-F37 HydrophobicContact CD1-CZ 3.53Å; L15-F37 HydrophobicContact CG-CZ 4.2Å; L15-I119 HydrophobicContact CD2-CG2 4.14Å; L15-I119 HydrophobicContact CG-CD1 4.33Å; L15-I119 HydrophobicContact CG-CG2 4.22Å; L15-E123 HydrophobicContact CD2-CG 3.98Å
16	F	98.9	Very high	93.4	Very high	30 Å²	30	55.2 Å²	55.2	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-49.5	177.3	177.7	-142.1	0	0	0	111.9	S12 V13 Q18 Y19 L20 I106 S111 K115 S116 I119	S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 3.32Å; V13-F16 PolarHBondContact O-N 2.83Å; F16-Q18 VanDerWaalsContact C-N 3.26Å; F16-Q18 PolarHBondContact O-N 2.84Å; F16-Y19 PolarHBondContact O-N 3.49Å; F16-Y19 VanDerWaalsContact O-N 3.1Å; F16-L20 HydrophobicContact CD1-CD1 4.13Å; F16-L20 HydrophobicContact CD2-CD1 3.95Å; F16-L20 HydrophobicContact CD2-CD2 4.5Å; F16-L20 HydrophobicContact CD2-CG 3.91Å; F16-L20 HydrophobicContact CE1-CD1 3.83Å; F16-L20 HydrophobicContact CE2-CD1 3.61Å; F16-L20 HydrophobicContact CE2-CD2 3.72Å; F16-L20 HydrophobicContact CE2-CG 3.58Å; F16-L20 HydrophobicContact CG-CD1 4.2Å; F16-L20 HydrophobicContact CZ-CD1 3.57Å; F16-L20 HydrophobicContact CZ-CD2 4.09Å; F16-L20 HydrophobicContact CZ-CG 4.04Å; F16-L20 WeakPolarHBondContact O-CG 3.29Å; F16-L20 PolarHBondContact O-N 2.61Å; F16-I106 HydrophobicContact CD1-CD1 3.99Å; F16-I106 HydrophobicContact CE1-CD1 4.22Å; F16-S111 WeakPolarHBondContact CZ-O 3.47Å; F16-K115 HydrophobicContact CE2-CB 4.21Å; F16-S116 VanDerWaalsContact CE2-CA 3.44Å; F16-I119 HydrophobicContact CB-CB 4.42Å; F16-I119 HydrophobicContact CB-CG2 3.96Å; F16-I119 HydrophobicContact CD2-CB 4.29Å; F16-I119 HydrophobicContact CD2-CG1 4.05Å
17	R	98.8	Very high	95.6	Very high	47 Å²	47	54 Å²	54	18%	0.177	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-34.8	175.5	-66	173.7	69.3	-155.4	1.9	112.1	E9 V13 T14 R21 A98 I106	E9-R17 VanDerWaalsContact OE1-CD 3.22Å; E9-R17 WeakPolarHBondContact OE1-CD 3.49Å; E9-R17 IonicContact OE1-CZ 3.62Å; E9-R17 IonicContact OE1-NE 3.23Å; E9-R17 IonicContact OE1-NH1 3.25Å; E9-R17 PolarHBondContact OE1-NH1 3.46Å; E9-R17 IonicContact OE2-NH1 2.74Å; E9-R17 PolarHBondContact OE2-NH1 2.9Å; V13-R17 HydrophobicContact CG1-CG 4.39Å; V13-R17 VanDerWaalsContact O-CG 3.32Å; V13-R17 WeakPolarHBondContact O-CG 3.43Å; V13-R17 PolarHBondContact O-N 2.74Å; T14-R17 PolarHBondContact O-N 3.19Å; R17-R21 VanDerWaalsContact NH2-NH2 3.2Å; R17-R21 VanDerWaalsContact O-CG 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.19Å; R17-R21 PolarHBondContact O-N 2.97Å; R17-R21 PolarHBondContact O-NH1 3.41Å; R17-A98 HydrophobicContact CB-CB 3.86Å; R17-A98 HydrophobicContact CG-CB 4.1Å; R17-A98 PolarHBondContact NE-O 3.29Å; R17-A98 PolarHBondContact NH2-O 3.36Å; R17-I106 HydrophobicContact CG-CD1 4.12Å; R17-I106 HydrophobicContact CG-CG2 4.14Å
18	Q	98.7	Very high	97.4	Very high	87 Å²	87	52 Å²	52	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-44.4	173.6	-175.2	-178.6	1	0	0	111.6	T14 L15 F16 R21 F37	T14-Q18 WeakPolarHBondContact O-CB 3.25Å; T14-Q18 PolarHBondContact O-N 3.11Å; L15-Q18 WeakPolarHBondContact O-CB 3.27Å; L15-Q18 PolarHBondContact O-N 3.33Å; F16-Q18 VanDerWaalsContact C-N 3.26Å; F16-Q18 PolarHBondContact O-N 2.84Å; Q18-R21 PolarHBondContact O-N 2.95Å; Q18-F37 HydrophobicContact CB-CE2 4.49Å; Q18-F37 HydrophobicContact CG-CE2 4.1Å
19	Y	98.8	Very high	98.1	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-71.9	-34.8	-179.7	-171.2	-130.2	0	0	0	113.1	L15 F16 R21 I22 A34 F37 T81 K115 I119	L15-Y19 PolarHBondContact O-N 3.44Å; F16-Y19 PolarHBondContact O-N 3.49Å; F16-Y19 VanDerWaalsContact O-N 3.1Å; Y19-R21 PolarHBondContact O-N 2.78Å; Y19-I22 HydrophobicContact CD2-CD1 3.76Å; Y19-I22 HydrophobicContact CD2-CG1 4.45Å; Y19-I22 HydrophobicContact CE2-CD1 4.21Å; Y19-I22 PolarHBondContact O-N 3.45Å; Y19-A34 HydrophobicContact CE2-CB 4.36Å; Y19-F37 AromaticContact CD2-CD1 3.51Å; Y19-F37 HydrophobicContact CD2-CD1 3.51Å; Y19-F37 AromaticContact CD2-CE1 3.56Å; Y19-F37 HydrophobicContact CD2-CE1 3.56Å; Y19-F37 HydrophobicContact CD2-CG 4.03Å; Y19-F37 HydrophobicContact CD2-CZ 4.1Å; Y19-F37 AromaticContact CE2-CD1 3.92Å; Y19-F37 HydrophobicContact CE2-CD1 3.92Å; Y19-F37 HydrophobicContact CE2-CE1 4.24Å; Y19-F37 HydrophobicContact CG-CD1 4.3Å; Y19-F37 AromaticContact CG-CE1 3.88Å; Y19-F37 HydrophobicContact CG-CE1 3.88Å; Y19-F37 HydrophobicContact CG-CZ 4.17Å; Y19-T81 WeakPolarHBondContact OH-CG2 3.41Å; Y19-K115 HydrophobicContact CD1-CB 3.71Å; Y19-K115 HydrophobicContact CD1-CD 3.83Å; Y19-K115 HydrophobicContact CD1-CG 3.85Å; Y19-K115 HydrophobicContact CE1-CB 3.79Å; Y19-K115 HydrophobicContact CE1-CD 3.82Å; Y19-K115 HydrophobicContact CE1-CG 3.56Å; Y19-K115 HydrophobicContact CG-CD 4.43Å; Y19-K115 PolarHBondContact O-NZ 3.11Å; Y19-I119 HydrophobicContact CD1-CD1 3.75Å; Y19-I119 HydrophobicContact CD1-CG1 3.8Å; Y19-I119 HydrophobicContact CG-CD1 3.88Å; Y19-I119 HydrophobicContact CG-CG1 4.28Å
20	L	98.9	Very high	98.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-32.9	173.8	-73.9	170.7	0	0	0	112.9	F16 I22 A98 I106 A108 G110 K115	F16-L20 HydrophobicContact CD1-CD1 4.13Å; F16-L20 HydrophobicContact CD2-CD1 3.95Å; F16-L20 HydrophobicContact CD2-CD2 4.5Å; F16-L20 HydrophobicContact CD2-CG 3.91Å; F16-L20 HydrophobicContact CE1-CD1 3.83Å; F16-L20 HydrophobicContact CE2-CD1 3.61Å; F16-L20 HydrophobicContact CE2-CD2 3.72Å; F16-L20 HydrophobicContact CE2-CG 3.58Å; F16-L20 HydrophobicContact CG-CD1 4.2Å; F16-L20 HydrophobicContact CZ-CD1 3.57Å; F16-L20 HydrophobicContact CZ-CD2 4.09Å; F16-L20 HydrophobicContact CZ-CG 4.04Å; F16-L20 WeakPolarHBondContact O-CG 3.29Å; F16-L20 PolarHBondContact O-N 2.61Å; L20-I22 VanDerWaalsContact C-N 3.27Å; L20-I22 PolarHBondContact O-N 3.47Å; L20-A98 HydrophobicContact CB-CB 3.73Å; L20-A98 HydrophobicContact CD1-CB 4.02Å; L20-I106 HydrophobicContact CD1-CG2 3.76Å; L20-A108 HydrophobicContact CB-CB 4.01Å; L20-A108 HydrophobicContact CD1-CB 3.84Å; L20-A108 HydrophobicContact CD2-CB 3.86Å; L20-A108 HydrophobicContact CG-CB 4.12Å; L20-G110 VanDerWaalsContact CD2-C 3.47Å; L20-K115 HydrophobicContact CD2-CB 4.01Å; L20-K115 HydrophobicContact CD2-CD 4.03Å
21	R	98.8	Very high	98.4	Very high	104 Å²	104	47.4 Å²	47.4	39%	0.392	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.8	178.4	-68.5	174.5	-167.6	114.6	2.2	114.6	R17 Q18 Y19 C23 F96 E97 A98	R17-R21 VanDerWaalsContact NH2-NH2 3.2Å; R17-R21 VanDerWaalsContact O-CG 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.19Å; R17-R21 PolarHBondContact O-N 2.97Å; R17-R21 PolarHBondContact O-NH1 3.41Å; Q18-R21 PolarHBondContact O-N 2.95Å; Y19-R21 PolarHBondContact O-N 2.78Å; R21-C23 PolarHBondContact O-N 3.06Å; R21-F96 WeakPolarHBondContact CA-O 3.36Å; R21-F96 WeakPolarHBondContact CG-O 3.45Å; R21-E97 PolarHBondContact NE-O 3.06Å; R21-E97 PolarHBondContact NH2-O 2.84Å; R21-A98 HydrophobicContact CG-CB 4.12Å
22	I	98.8	Very high	98.4	Very high	24 Å²	24	45 Å²	45	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-73.4	116.6	173.7	-51.7	-175.7	0	0	0	107.5	Y19 L20 T24 A34 F37 K115	Y19-I22 HydrophobicContact CD2-CD1 3.76Å; Y19-I22 HydrophobicContact CD2-CG1 4.45Å; Y19-I22 HydrophobicContact CE2-CD1 4.21Å; Y19-I22 PolarHBondContact O-N 3.45Å; L20-I22 VanDerWaalsContact C-N 3.27Å; L20-I22 PolarHBondContact O-N 3.47Å; I22-T24 VanDerWaalsContact C-N 3.26Å; I22-T24 HydrophobicContact CG2-CG2 4.1Å; I22-T24 PolarHBondContact O-N 3.27Å; I22-A34 HydrophobicContact CG2-CB 4.45Å; I22-F37 HydrophobicContact CD1-CB 3.5Å; I22-F37 HydrophobicContact CD1-CD2 4.02Å; I22-F37 HydrophobicContact CD1-CG 3.8Å; I22-K115 PolarHBondContact O-NZ 2.92Å
23	C	98.2	Very high	98.4	Very high	52 Å²	52	44.7 Å²	44.7	35%	0.351	25%	0.25	S	C	.	.			trans	-79.3	71.1	-170.9	-162.4	0	0	0	0	111.7	R21 V25 D30	R21-C23 PolarHBondContact O-N 3.06Å; C23-V25 PolarHBondContact O-N 3.44Å; C23-V25 VanDerWaalsContact O-N 3.15Å; C23-V25 VanDerWaalsContact SG-CG1 3.51Å; C23-D30 WeakPolarHBondContact O-CB 3.46Å; C23-D30 PolarHBondContact O-N 2.96Å
24	T	98.6	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.			trans	-84	34.6	176	49.7	0	0	0	0	112.3	I22 P29 D30 A34 T81 D82 V83 K115	I22-T24 VanDerWaalsContact C-N 3.26Å; I22-T24 HydrophobicContact CG2-CG2 4.1Å; I22-T24 PolarHBondContact O-N 3.27Å; T24-P29 WeakPolarHBondContact O-CB 3.41Å; T24-D30 WeakPolarHBondContact CG2-O 3.43Å; T24-A34 HydrophobicContact CG2-CB 3.76Å; T24-T81 WeakPolarHBondContact CB-O 3.42Å; T24-T81 PolarHBondContact OG1-O 2.89Å; T24-D82 CarbonylContact O-C 3.3Å; T24-D82 VanDerWaalsContact O-CA 3.24Å; T24-D82 WeakPolarHBondContact O-CA 3.42Å; T24-V83 PolarHBondContact O-N 3.09Å; T24-K115 WeakPolarHBondContact OG1-CE 3.41Å; T24-K115 PolarHBondContact OG1-NZ 3.36Å
25	V	98.6	Very high	98.5	Very high	26 Å²	26	41 Å²	41	16%	0.158	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-82	136	-175.7	70.4	0	0	0	0	112	C23 N28 P29 V83 V84 F96	C23-V25 PolarHBondContact O-N 3.44Å; C23-V25 VanDerWaalsContact O-N 3.15Å; C23-V25 VanDerWaalsContact SG-CG1 3.51Å; V25-N28 CarbonylContact O-C 3.56Å; V25-N28 VanDerWaalsContact O-C 3.3Å; V25-N28 PolarHBondContact O-N 3.34Å; V25-P29 WeakPolarHBondContact O-CA 3.35Å; V25-V83 WeakPolarHBondContact CA-O 3.41Å; V25-V83 HydrophobicContact CB-CG2 4.02Å; V25-V83 HydrophobicContact CG2-CG2 4.29Å; V25-V84 WeakPolarHBondContact CG2-O 3.24Å; V25-F96 HydrophobicContact CB-CE1 3.89Å; V25-F96 HydrophobicContact CB-CZ 3.61Å; V25-F96 HydrophobicContact CG1-CE1 4.49Å; V25-F96 HydrophobicContact CG1-CZ 4.01Å; V25-F96 HydrophobicContact CG2-CE1 4.29Å; V25-F96 HydrophobicContact CG2-CZ 3.65Å
26	Q	97.4	Very high	98.5	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	151.2	171.5	-68.5	-70.1	6.2	0	0	111.7	P29 D82 V83 P85 E148 V149	Q26-P29 HydrophobicContact CG-CG 4.33Å; Q26-D82 PolarHBondContact NE2-OD2 2.87Å; Q26-V83 PolarHBondContact N-O 2.69Å; Q26-P85 HydrophobicContact CB-CG 4.27Å; Q26-E148 HydrophobicContact CG-CB 4.23Å; Q26-V149 HydrophobicContact CG-CG1 4.18Å
27	P	97.6	Very high	98.5	Very high	105 Å²	105	43.7 Å²	43.7	68%	0.682	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.5	-0.9	5	35.7	-36.3	0	0	0	115.1	P29	P27-P29 VanDerWaalsContact C-CD 3.48Å
28	N	97.2	Very high	98.5	Very high	142 Å²	142	41.6 Å²	41.6	76%	0.759	24%	0.237	S	C	*	.	S	Bend	trans	-127.5	70.3	-179.5	-60.6	-66.9	0	0	0	111	V25	V25-N28 CarbonylContact O-C 3.56Å; V25-N28 VanDerWaalsContact O-C 3.3Å; V25-N28 PolarHBondContact O-N 3.34Å
29	P	98.3	Very high	98.5	Very high	19 Å²	19	40.5 Å²	40.5	12%	0.123	23%	0.232	C	C	.	.			trans	-60.6	140.1	-179.1	-27.2	39.2	0	0	0	112.7	T24 V25 Q26 P27 Y31 D82	T24-P29 WeakPolarHBondContact O-CB 3.41Å; V25-P29 WeakPolarHBondContact O-CA 3.35Å; Q26-P29 HydrophobicContact CG-CG 4.33Å; P27-P29 VanDerWaalsContact C-CD 3.48Å; P29-Y31 HydrophobicContact CB-CD1 3.91Å; P29-Y31 HydrophobicContact CB-CD2 4.13Å; P29-Y31 HydrophobicContact CB-CE1 3.59Å; P29-Y31 HydrophobicContact CB-CE2 3.83Å; P29-Y31 HydrophobicContact CB-CG 4.16Å; P29-Y31 HydrophobicContact CG-CE1 4.05Å; P29-Y31 HydrophobicContact CG-CE2 3.95Å; P29-Y31 PolarHBondContact O-N 2.93Å; P29-D82 HydrophobicContact CB-CB 4.42Å; P29-D82 HydrophobicContact CG-CB 4.03Å
30	D	98.6	Very high	98.4	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	25%	0.246	S	C	.	.			trans	-73	70.2	166	-177.7	16.5	0	0	0	111.6	C23 T24 G32 G33 A34	C23-D30 WeakPolarHBondContact O-CB 3.46Å; C23-D30 PolarHBondContact O-N 2.96Å; T24-D30 WeakPolarHBondContact CG2-O 3.43Å; D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 3.26Å; D30-G33 PolarHBondContact O-N 2.89Å; D30-G33 PolarHBondContact OD1-N 3.4Å; D30-A34 PolarHBondContact O-N 2.81Å
31	Y	98.6	Very high	98.4	Very high	25 Å²	25	45.2 Å²	45.2	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-33.5	175.7	-66.8	-50.5	0	0	0	112	P29 G33 A34 I35 F58 D82 P145 D146	P29-Y31 HydrophobicContact CB-CD1 3.91Å; P29-Y31 HydrophobicContact CB-CD2 4.13Å; P29-Y31 HydrophobicContact CB-CE1 3.59Å; P29-Y31 HydrophobicContact CB-CE2 3.83Å; P29-Y31 HydrophobicContact CB-CG 4.16Å; P29-Y31 HydrophobicContact CG-CE1 4.05Å; P29-Y31 HydrophobicContact CG-CE2 3.95Å; P29-Y31 PolarHBondContact O-N 2.93Å; Y31-G33 PolarHBondContact O-N 2.65Å; Y31-A34 PolarHBondContact O-N 3.45Å; Y31-I35 WeakPolarHBondContact O-CB 3.5Å; Y31-I35 VanDerWaalsContact O-CD1 3.31Å; Y31-I35 WeakPolarHBondContact O-CD1 3.38Å; Y31-I35 WeakPolarHBondContact O-CG1 3.38Å; Y31-I35 PolarHBondContact O-N 3.12Å; Y31-F58 HydrophobicContact CE2-CD1 4.26Å; Y31-F58 HydrophobicContact CE2-CE1 4Å; Y31-D82 HydrophobicContact CE1-CB 3.96Å; Y31-P145 HydrophobicContact CD1-CB 3.89Å; Y31-P145 HydrophobicContact CD2-CB 4.42Å; Y31-P145 HydrophobicContact CE1-CB 3.34Å; Y31-P145 HydrophobicContact CE2-CB 3.94Å; Y31-P145 HydrophobicContact CG-CB 4.4Å; Y31-D146 PolarHBondContact OH-N 3.23Å
32	G	98.6	Very high	98.3	Very high	41 Å²	41	40.4 Å²	40.4	42%	0.423	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-44.2	177.9	0	0	0	0	0	112.4	D30 T36	D30-G32 VanDerWaalsContact C-N 3.26Å; D30-G32 PolarHBondContact O-N 3.26Å; G32-T36 WeakPolarHBondContact O-CB 3.38Å; G32-T36 PolarHBondContact O-N 3.23Å; G32-T36 PolarHBondContact O-OG1 2.98Å
33	G	98.6	Very high	98.3	Very high	19 Å²	19	47 Å²	47	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-42.5	173.6	0	0	0	0	0	112.5	D30 Y31 T36 F37	D30-G33 PolarHBondContact O-N 2.89Å; D30-G33 PolarHBondContact OD1-N 3.4Å; Y31-G33 PolarHBondContact O-N 2.65Å; G33-T36 PolarHBondContact O-N 2.72Å; G33-F37 WeakPolarHBondContact O-CB 3.35Å; G33-F37 PolarHBondContact O-N 2.82Å
34	A	98.7	Very high	98.3	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-46.4	177.7	0	0	0	0	0	112.5	Y19 I22 T24 D30 Y31 T36 F37 L38	Y19-A34 HydrophobicContact CE2-CB 4.36Å; I22-A34 HydrophobicContact CG2-CB 4.45Å; T24-A34 HydrophobicContact CG2-CB 3.76Å; D30-A34 PolarHBondContact O-N 2.81Å; Y31-A34 PolarHBondContact O-N 3.45Å; A34-T36 PolarHBondContact O-N 3.34Å; A34-F37 WeakPolarHBondContact O-CB 3.39Å; A34-F37 PolarHBondContact O-N 3.06Å; A34-L38 VanDerWaalsContact O-CG 3.29Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.46Å
35	I	98.8	Very high	98.2	Very high	24 Å²	24	50.2 Å²	50.2	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-48.3	176.9	-67	158.5	0	0	0	110.1	Y31 F37 L38 E39 K51 V59	Y31-I35 WeakPolarHBondContact O-CB 3.5Å; Y31-I35 VanDerWaalsContact O-CD1 3.31Å; Y31-I35 WeakPolarHBondContact O-CD1 3.38Å; Y31-I35 WeakPolarHBondContact O-CG1 3.38Å; Y31-I35 PolarHBondContact O-N 3.12Å; I35-F37 VanDerWaalsContact C-N 3.29Å; I35-F37 PolarHBondContact O-N 3.09Å; I35-L38 PolarHBondContact O-N 2.88Å; I35-L38 VanDerWaalsContact O-N 3.11Å; I35-E39 HydrophobicContact CG2-CG 4.31Å; I35-E39 WeakPolarHBondContact O-CG 3.48Å; I35-E39 PolarHBondContact O-N 3.48Å; I35-K51 HydrophobicContact CG2-CD 3.46Å; I35-K51 VanDerWaalsContact CG2-CD 3.46Å; I35-K51 HydrophobicContact CG2-CG 4.32Å; I35-V59 HydrophobicContact CD1-CB 3.7Å; I35-V59 HydrophobicContact CD1-CG1 4.12Å; I35-V59 HydrophobicContact CD1-CG2 4.16Å
36	T	98.7	Very high	98.2	Very high	89 Å²	89	51.7 Å²	51.7	55%	0.546	29%	0.289	S	S	.	.	H	α-helix	trans	-57.7	-43.4	178.4	-58.2	0	0	0	0	111.5	G32 G33 A34 E40	G32-T36 WeakPolarHBondContact O-CB 3.38Å; G32-T36 PolarHBondContact O-N 3.23Å; G32-T36 PolarHBondContact O-OG1 2.98Å; G33-T36 PolarHBondContact O-N 2.72Å; A34-T36 PolarHBondContact O-N 3.34Å; T36-E40 WeakPolarHBondContact O-CB 3.37Å; T36-E40 PolarHBondContact O-N 3.08Å; T36-E40 VanDerWaalsContact O-N 3.12Å
37	F	98.8	Very high	98.2	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.5	172.6	-89	0	0	0	111.6	L15 Q18 Y19 I22 G33 A34 I35 E40 R41 I119 L122	L15-F37 HydrophobicContact CD1-CE2 3.78Å; L15-F37 HydrophobicContact CD1-CZ 3.53Å; L15-F37 HydrophobicContact CG-CZ 4.2Å; Q18-F37 HydrophobicContact CB-CE2 4.49Å; Q18-F37 HydrophobicContact CG-CE2 4.1Å; Y19-F37 AromaticContact CD2-CD1 3.51Å; Y19-F37 HydrophobicContact CD2-CD1 3.51Å; Y19-F37 AromaticContact CD2-CE1 3.56Å; Y19-F37 HydrophobicContact CD2-CE1 3.56Å; Y19-F37 HydrophobicContact CD2-CG 4.03Å; Y19-F37 HydrophobicContact CD2-CZ 4.1Å; Y19-F37 AromaticContact CE2-CD1 3.92Å; Y19-F37 HydrophobicContact CE2-CD1 3.92Å; Y19-F37 HydrophobicContact CE2-CE1 4.24Å; Y19-F37 HydrophobicContact CG-CD1 4.3Å; Y19-F37 AromaticContact CG-CE1 3.88Å; Y19-F37 HydrophobicContact CG-CE1 3.88Å; Y19-F37 HydrophobicContact CG-CZ 4.17Å; I22-F37 HydrophobicContact CD1-CB 3.5Å; I22-F37 HydrophobicContact CD1-CD2 4.02Å; I22-F37 HydrophobicContact CD1-CG 3.8Å; G33-F37 WeakPolarHBondContact O-CB 3.35Å; G33-F37 PolarHBondContact O-N 2.82Å; A34-F37 WeakPolarHBondContact O-CB 3.39Å; A34-F37 PolarHBondContact O-N 3.06Å; I35-F37 VanDerWaalsContact C-N 3.29Å; I35-F37 PolarHBondContact O-N 3.09Å; F37-E40 PolarHBondContact O-N 2.55Å; F37-R41 HydrophobicContact CD1-CG 4.27Å; F37-R41 HydrophobicContact CE1-CG 3.91Å; F37-R41 HydrophobicContact CZ-CG 4.08Å; F37-R41 WeakPolarHBondContact O-CG 3.37Å; F37-R41 PolarHBondContact O-N 3.38Å; F37-I119 HydrophobicContact CE1-CD1 3.9Å; F37-I119 HydrophobicContact CZ-CD1 3.93Å; F37-L122 HydrophobicContact CE1-CD1 4.46Å
38	L	98.7	Very high	98.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-39.5	-178.2	-67.9	168.8	0	0	0	112.6	A34 I35 E40 R41 A42 T61 L122 F143	A34-L38 VanDerWaalsContact O-CG 3.29Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.46Å; I35-L38 PolarHBondContact O-N 2.88Å; I35-L38 VanDerWaalsContact O-N 3.11Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.3Å; L38-R41 PolarHBondContact O-N 2.88Å; L38-A42 PolarHBondContact O-N 2.91Å; L38-T61 HydrophobicContact CB-CG2 3.99Å; L38-T61 HydrophobicContact CD1-CG2 4.19Å; L38-L122 HydrophobicContact CD2-CD1 4.19Å; L38-F143 HydrophobicContact CD1-CB 3.51Å; L38-F143 HydrophobicContact CD1-CD1 4.06Å; L38-F143 HydrophobicContact CD1-CD2 3.72Å; L38-F143 HydrophobicContact CD1-CE2 4.47Å; L38-F143 HydrophobicContact CD1-CG 3.47Å; L38-F143 VanDerWaalsContact CD1-CG 3.47Å; L38-F143 HydrophobicContact CD2-CD1 3.89Å; L38-F143 HydrophobicContact CD2-CD2 3.86Å; L38-F143 HydrophobicContact CD2-CE1 3.8Å; L38-F143 HydrophobicContact CD2-CE2 3.77Å; L38-F143 HydrophobicContact CD2-CG 3.92Å; L38-F143 HydrophobicContact CD2-CZ 3.73Å; L38-F143 HydrophobicContact CG-CD2 4.33Å; L38-F143 HydrophobicContact CG-CG 4.34Å
39	E	98.6	Very high	98.3	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-44.8	174.3	-74.3	-172.3	119.9	0	0	111.4	I35 R41 A42 R43 K51	I35-E39 HydrophobicContact CG2-CG 4.31Å; I35-E39 WeakPolarHBondContact O-CG 3.48Å; I35-E39 PolarHBondContact O-N 3.48Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.42Å; E39-A42 WeakPolarHBondContact O-CB 3.45Å; E39-A42 PolarHBondContact O-N 3.02Å; E39-R43 PolarHBondContact O-N 3.26Å; E39-K51 HydrophobicContact CG-CD 4.35Å; E39-K51 VanDerWaalsContact OE1-CD 3.26Å; E39-K51 WeakPolarHBondContact OE1-CD 3.5Å; E39-K51 WeakPolarHBondContact OE1-CE 3.22Å; E39-K51 IonicContact OE1-NZ 3.73Å; E39-K51 PolarHBondContact OE1-NZ 3.48Å; E39-K51 IonicContact OE2-NZ 3.78Å; E39-K51 PolarHBondContact OE2-NZ 2.88Å; E39-K51 VanDerWaalsContact OE2-NZ 3.09Å
40	E	98.1	Very high	98.3	Very high	65 Å²	65	48.5 Å²	48.5	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-37.8	177.1	177.7	55.2	-159.4	0	0	111.5	T36 F37 L38 R43 Q44	T36-E40 WeakPolarHBondContact O-CB 3.37Å; T36-E40 PolarHBondContact O-N 3.08Å; T36-E40 VanDerWaalsContact O-N 3.12Å; F37-E40 PolarHBondContact O-N 2.55Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.3Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-R43 IonicContact OE1-CZ 3.53Å; E40-R43 IonicContact OE1-NE 2.81Å; E40-R43 IonicContact OE1-NH2 3.4Å; E40-R43 PolarHBondContact OE1-NH2 2.86Å; E40-R43 IonicContact OE2-CZ 2.83Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 PolarHBondContact OE2-NE 2.82Å; E40-R43 IonicContact OE2-NH2 3.5Å; E40-R43 PolarHBondContact OE2-NH2 3.33Å; E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.41Å; E40-Q44 PolarHBondContact O-N 2.75Å; E40-Q44 PolarHBondContact OE1-NE2 3.23Å
41	R	97.8	Very high	98.3	Very high	36 Å²	36	50 Å²	50	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-42.6	172.7	-62	-53.1	144.6	178.5	10.4	112.3	F37 L38 E39 R43 Q44 L45 L122	F37-R41 HydrophobicContact CD1-CG 4.27Å; F37-R41 HydrophobicContact CE1-CG 3.91Å; F37-R41 HydrophobicContact CZ-CG 4.08Å; F37-R41 WeakPolarHBondContact O-CG 3.37Å; F37-R41 PolarHBondContact O-N 3.38Å; L38-R41 PolarHBondContact O-N 2.88Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.42Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.12Å; R41-Q44 PolarHBondContact O-N 3.02Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.37Å; R41-L45 PolarHBondContact O-N 3.46Å; R41-L122 HydrophobicContact CB-CD1 4.48Å; R41-L122 HydrophobicContact CG-CD1 4.38Å
42	A	98.3	Very high	98.3	Very high	2 Å²	2	49 Å²	49	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-47.1	175.4	0	0	0	0	0	110.9	L38 E39 L45 G46 L47 C49 L63	L38-A42 PolarHBondContact O-N 2.91Å; E39-A42 WeakPolarHBondContact O-CB 3.45Å; E39-A42 PolarHBondContact O-N 3.02Å; A42-L45 PolarHBondContact O-N 3.41Å; A42-G46 PolarHBondContact O-N 2.84Å; A42-L47 HydrophobicContact CB-CB 4.44Å; A42-L47 PolarHBondContact O-N 2.9Å; A42-C49 HydrophobicContact CB-CB 3.68Å; A42-L63 HydrophobicContact CB-CD1 4.06Å; A42-L63 HydrophobicContact CB-CD2 3.78Å; A42-L63 HydrophobicContact CB-CG 3.62Å
43	R	98.3	Very high	98.3	Very high	163 Å²	163	52.5 Å²	52.5	62%	0.615	28%	0.276	S	S	*	.	H	α-helix	trans	-59.7	-48.6	177.5	-169	-167.6	69.1	75.6	-1.1	112.1	E39 E40 R41 L45 G46	E39-R43 PolarHBondContact O-N 3.26Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-R43 IonicContact OE1-CZ 3.53Å; E40-R43 IonicContact OE1-NE 2.81Å; E40-R43 IonicContact OE1-NH2 3.4Å; E40-R43 PolarHBondContact OE1-NH2 2.86Å; E40-R43 IonicContact OE2-CZ 2.83Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 PolarHBondContact OE2-NE 2.82Å; E40-R43 IonicContact OE2-NH2 3.5Å; E40-R43 PolarHBondContact OE2-NH2 3.33Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.12Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.36Å; R43-G46 PolarHBondContact O-N 3.26Å
44	Q	97.2	Very high	98.3	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-36.6	179.5	-72.1	173.8	6.6	0	0	112.8	E40 R41 G46	E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.41Å; E40-Q44 PolarHBondContact O-N 2.75Å; E40-Q44 PolarHBondContact OE1-NE2 3.23Å; R41-Q44 PolarHBondContact O-N 3.02Å; Q44-G46 VanDerWaalsContact C-N 3.34Å
45	L	97.2	Very high	98.3	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-83.2	-11.8	-180	-62	-177.8	0	0	0	113.1	R41 A42 R43 L47 L122 R126 K129	R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.37Å; R41-L45 PolarHBondContact O-N 3.46Å; A42-L45 PolarHBondContact O-N 3.41Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.36Å; L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CG 3.77Å; L45-L47 HydrophobicContact CD1-CD1 3.92Å; L45-L122 HydrophobicContact CD1-CD2 4.27Å; L45-R126 HydrophobicContact CD1-CB 4.45Å; L45-R126 HydrophobicContact CD2-CB 3.44Å; L45-R126 VanDerWaalsContact CD2-CB 3.44Å; L45-R126 HydrophobicContact CD2-CG 3.32Å; L45-K129 VanDerWaalsContact O-CE 3.29Å; L45-K129 WeakPolarHBondContact O-CE 3.42Å; L45-K129 PolarHBondContact O-NZ 2.96Å
46	G	97.9	Very high	98.2	Very high	56 Å²	56	58.8 Å²	58.8	58%	0.577	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	42.5	-172.1	0	0	0	0	0	111.9	A42 R43 Q44	A42-G46 PolarHBondContact O-N 2.84Å; R43-G46 PolarHBondContact O-N 3.26Å; Q44-G46 VanDerWaalsContact C-N 3.34Å
47	L	98.4	Very high	98.2	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.073	31%	0.311	C	S	.	.			trans	-101.9	147.2	172.8	-58.4	177.2	0	0	0	109.1	A42 L45 L63 W65 V125 K129 M141	A42-L47 HydrophobicContact CB-CB 4.44Å; A42-L47 PolarHBondContact O-N 2.9Å; L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CG 3.77Å; L45-L47 HydrophobicContact CD1-CD1 3.92Å; L47-L63 HydrophobicContact CD1-CB 4.34Å; L47-L63 HydrophobicContact CD1-CD2 4.25Å; L47-W65 HydrophobicContact CD2-CB 3.7Å; L47-W65 HydrophobicContact CD2-CG 4.11Å; L47-V125 HydrophobicContact CD1-CG1 4.11Å; L47-V125 HydrophobicContact CD2-CG1 4.34Å; L47-K129 HydrophobicContact CD2-CD 4.37Å; L47-M141 HydrophobicContact CD1-CE 3.5Å
48	S	98.1	Very high	98.1	Very high	71 Å²	71	57.9 Å²	57.9	50%	0.497	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.5	170	59.1	0	0	0	0	109.8	L63 T64	S48-L63 CarbonylContact O-C 3.59Å; S48-L63 WeakPolarHBondContact O-CA 3.38Å; S48-T64 PolarHBondContact N-O 3.36Å; S48-T64 PolarHBondContact O-N 2.74Å; S48-T64 WeakPolarHBondContact OG-CB 3.22Å
49	C	98.6	Very high	98.1	Very high	48 Å²	48	59.1 Å²	59.1	32%	0.324	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.2	179.1	-172.1	0	0	0	0	109.8	A42 V62 L63	A42-C49 HydrophobicContact CB-CB 3.68Å; C49-V62 WeakPolarHBondContact CA-O 3.32Å; C49-L63 HydrophobicContact CB-CD1 4.37Å
50	Q	98.6	Very high	98.1	Very high	87 Å²	87	56.1 Å²	56.1	41%	0.407	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132	172.6	-168.8	-177.5	3.6	0	0	109.2	I52 V62	Q50-I52 HydrophobicContact CG-CD1 4.13Å; Q50-I52 HydrophobicContact CG-CG1 3.85Å; Q50-V62 HydrophobicContact CB-CB 4.37Å; Q50-V62 PolarHBondContact N-O 3.35Å; Q50-V62 PolarHBondContact O-N 3.19Å
51	K	98.6	Very high	98.2	Very high	108 Å²	108	53.1 Å²	53.1	47%	0.47	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.2	172.6	-68.2	-171.1	-63.4	-158.7	0	109	I35 E39 V59 I60	I35-K51 HydrophobicContact CG2-CD 3.46Å; I35-K51 VanDerWaalsContact CG2-CD 3.46Å; I35-K51 HydrophobicContact CG2-CG 4.32Å; E39-K51 HydrophobicContact CG-CD 4.35Å; E39-K51 VanDerWaalsContact OE1-CD 3.26Å; E39-K51 WeakPolarHBondContact OE1-CD 3.5Å; E39-K51 WeakPolarHBondContact OE1-CE 3.22Å; E39-K51 IonicContact OE1-NZ 3.73Å; E39-K51 PolarHBondContact OE1-NZ 3.48Å; E39-K51 IonicContact OE2-NZ 3.78Å; E39-K51 PolarHBondContact OE2-NZ 2.88Å; E39-K51 VanDerWaalsContact OE2-NZ 3.09Å; K51-V59 HydrophobicContact CB-CG1 3.75Å; K51-V59 HydrophobicContact CD-CG1 4.48Å; K51-V59 HydrophobicContact CG-CG1 4.2Å; K51-I60 WeakPolarHBondContact CA-O 3.46Å
52	I	98.7	Very high	98.2	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	101	-173.4	-55.1	161.9	0	0	0	107.1	Q50 V54 V59 I60 V62 F158 E163	Q50-I52 HydrophobicContact CG-CD1 4.13Å; Q50-I52 HydrophobicContact CG-CG1 3.85Å; I52-V54 HydrophobicContact CG2-CG1 4.36Å; I52-V54 PolarHBondContact O-N 3.25Å; I52-V59 WeakPolarHBondContact O-CA 3.3Å; I52-I60 HydrophobicContact CB-CB 4.32Å; I52-I60 PolarHBondContact N-O 2.93Å; I52-I60 PolarHBondContact O-N 3.23Å; I52-V62 HydrophobicContact CD1-CG2 3.78Å; I52-F158 HydrophobicContact CD1-CE2 3.54Å; I52-F158 HydrophobicContact CD1-CZ 3.97Å; I52-F158 HydrophobicContact CG2-CD2 4.42Å; I52-F158 HydrophobicContact CG2-CE2 4.29Å; I52-E163 HydrophobicContact CD1-CB 3.66Å; I52-E163 HydrophobicContact CD1-CG 4.2Å; I52-E163 HydrophobicContact CG1-CB 4.32Å; I52-E163 HydrophobicContact CG1-CG 4.33Å; I52-E163 HydrophobicContact CG2-CB 4.38Å; I52-E163 HydrophobicContact CG2-CG 4.22Å
53	E	98.5	Very high	98.3	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108.7	175.5	-168.4	170	-147.9	0	0	109.1	V55 P56 G57 F58 V59	E53-V55 VanDerWaalsContact CG-O 3.24Å; E53-V55 WeakPolarHBondContact CG-O 3.45Å; E53-P56 WeakPolarHBondContact OE1-CA 3.18Å; E53-G57 PolarHBondContact OE1-N 2.89Å; E53-F58 WeakPolarHBondContact CA-O 3.5Å; E53-V59 HydrophobicContact CB-CG2 4.08Å; E53-V59 HydrophobicContact CG-CG2 4.11Å
54	V	98.1	Very high	98.3	Very high	17 Å²	17	44.5 Å²	44.5	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-32.8	-177.5	-71.8	0	0	0	0	111.7	I52 F58 I60 K153 L157 F158 R161	I52-V54 HydrophobicContact CG2-CG1 4.36Å; I52-V54 PolarHBondContact O-N 3.25Å; V54-F58 HydrophobicContact CG2-CB 4.22Å; V54-F58 WeakPolarHBondContact CG2-O 3.44Å; V54-F58 PolarHBondContact N-O 2.77Å; V54-I60 HydrophobicContact CG1-CD1 4.47Å; V54-I60 HydrophobicContact CG1-CG1 3.82Å; V54-I60 HydrophobicContact CG2-CD1 4.25Å; V54-I60 HydrophobicContact CG2-CG1 4.35Å; V54-K153 WeakPolarHBondContact CG2-O 3.45Å; V54-L157 HydrophobicContact CB-CB 4.03Å; V54-L157 HydrophobicContact CB-CD1 4.5Å; V54-L157 HydrophobicContact CG2-CB 4.44Å; V54-F158 HydrophobicContact CG1-CB 4.14Å; V54-F158 HydrophobicContact CG1-CD2 4.26Å; V54-R161 HydrophobicContact CG1-CG 4.13Å
55	V	97.9	Very high	98.4	Very high	45 Å²	45	40.6 Å²	40.6	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.4	166.1	-71.9	0	0	0	0	108.8	E53 G57 F58 K153 L157	E53-V55 VanDerWaalsContact CG-O 3.24Å; E53-V55 WeakPolarHBondContact CG-O 3.45Å; V55-G57 PolarHBondContact O-N 2.9Å; V55-G57 VanDerWaalsContact O-N 3.14Å; V55-F58 HydrophobicContact CG2-CB 3.69Å; V55-F58 HydrophobicContact CG2-CD2 3.71Å; V55-F58 HydrophobicContact CG2-CG 3.86Å; V55-F58 PolarHBondContact O-N 3.44Å; V55-K153 HydrophobicContact CG2-CB 3.8Å; V55-K153 HydrophobicContact CG2-CG 4.18Å; V55-L157 HydrophobicContact CG1-CD1 3.48Å; V55-L157 VanDerWaalsContact CG1-CD1 3.48Å; V55-L157 HydrophobicContact CG2-CD1 4.32Å
56	P	98.3	Very high	98.4	Very high	116 Å²	116	43.1 Å²	43.1	75%	0.753	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	121.3	-176.2	-29.4	36.4	0	0	0	113.1	E53	E53-P56 WeakPolarHBondContact OE1-CA 3.18Å
57	G	96.6	Very high	98.4	Very high	46 Å²	46	41.2 Å²	41.2	47%	0.474	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-6.5	-178.8	0	0	0	0	0	115.9	E53 V55	E53-G57 PolarHBondContact OE1-N 2.89Å; V55-G57 PolarHBondContact O-N 2.9Å; V55-G57 VanDerWaalsContact O-N 3.14Å
58	F	98.4	Very high	98.5	Very high	36 Å²	36	44.5 Å²	44.5	16%	0.158	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	99.9	-179.1	-67.3	-101.8	0	0	0	110	Y31 E53 V54 V55 P145 D146 K153	Y31-F58 HydrophobicContact CE2-CD1 4.26Å; Y31-F58 HydrophobicContact CE2-CE1 4Å; E53-F58 WeakPolarHBondContact CA-O 3.5Å; V54-F58 HydrophobicContact CG2-CB 4.22Å; V54-F58 WeakPolarHBondContact CG2-O 3.44Å; V54-F58 PolarHBondContact N-O 2.77Å; V55-F58 HydrophobicContact CG2-CB 3.69Å; V55-F58 HydrophobicContact CG2-CD2 3.71Å; V55-F58 HydrophobicContact CG2-CG 3.86Å; V55-F58 PolarHBondContact O-N 3.44Å; F58-P145 HydrophobicContact CB-CG 4.02Å; F58-P145 HydrophobicContact CD1-CB 4.02Å; F58-P145 HydrophobicContact CD1-CG 3.95Å; F58-P145 HydrophobicContact CG-CG 4.49Å; F58-D146 HydrophobicContact CD1-CB 3.98Å; F58-D146 HydrophobicContact CE1-CB 3.9Å; F58-D146 WeakPolarHBondContact CE1-OD1 3.29Å; F58-K153 WeakPolarHBondContact CB-O 3.45Å; F58-K153 HydrophobicContact CD1-CB 3.71Å; F58-K153 HydrophobicContact CD2-CB 4.28Å; F58-K153 HydrophobicContact CD2-CD 4.24Å; F58-K153 HydrophobicContact CE1-CB 3.91Å; F58-K153 HydrophobicContact CE1-CD 4.04Å; F58-K153 HydrophobicContact CE2-CB 4.46Å; F58-K153 HydrophobicContact CE2-CD 3.72Å; F58-K153 HydrophobicContact CG-CB 3.92Å; F58-K153 HydrophobicContact CZ-CB 4.28Å; F58-K153 HydrophobicContact CZ-CD 3.61Å
59	V	98.8	Very high	98.5	Very high	29 Å²	29	44 Å²	44	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	-174	179.5	0	0	0	0	110.1	I35 K51 I52 E53	I35-V59 HydrophobicContact CD1-CB 3.7Å; I35-V59 HydrophobicContact CD1-CG1 4.12Å; I35-V59 HydrophobicContact CD1-CG2 4.16Å; K51-V59 HydrophobicContact CB-CG1 3.75Å; K51-V59 HydrophobicContact CD-CG1 4.48Å; K51-V59 HydrophobicContact CG-CG1 4.2Å; I52-V59 WeakPolarHBondContact O-CA 3.3Å; E53-V59 HydrophobicContact CB-CG2 4.08Å; E53-V59 HydrophobicContact CG-CG2 4.11Å
60	I	98.8	Very high	98.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129	166	-45.4	-53.5	0	0	0	108.4	K51 I52 V54 V62 V144 P145 F158	K51-I60 WeakPolarHBondContact CA-O 3.46Å; I52-I60 HydrophobicContact CB-CB 4.32Å; I52-I60 PolarHBondContact N-O 2.93Å; I52-I60 PolarHBondContact O-N 3.23Å; V54-I60 HydrophobicContact CG1-CD1 4.47Å; V54-I60 HydrophobicContact CG1-CG1 3.82Å; V54-I60 HydrophobicContact CG2-CD1 4.25Å; V54-I60 HydrophobicContact CG2-CG1 4.35Å; I60-V62 HydrophobicContact CG2-CG2 4.16Å; I60-V144 HydrophobicContact CD1-CB 4.08Å; I60-V144 HydrophobicContact CD1-CG1 3.96Å; I60-V144 HydrophobicContact CG2-CG1 4.09Å; I60-P145 HydrophobicContact CD1-CG 4.25Å; I60-F158 HydrophobicContact CB-CD2 4.32Å; I60-F158 HydrophobicContact CB-CE2 4.48Å; I60-F158 HydrophobicContact CB-CG 4.41Å; I60-F158 HydrophobicContact CD1-CB 4.21Å; I60-F158 HydrophobicContact CD1-CG 4.43Å; I60-F158 HydrophobicContact CG1-CB 3.92Å; I60-F158 HydrophobicContact CG1-CD1 4.27Å; I60-F158 HydrophobicContact CG1-CD2 3.84Å; I60-F158 HydrophobicContact CG1-CE2 4.48Å; I60-F158 HydrophobicContact CG1-CG 3.74Å; I60-F158 HydrophobicContact CG2-CD1 3.92Å; I60-F158 HydrophobicContact CG2-CD2 4.38Å; I60-F158 HydrophobicContact CG2-CE1 3.8Å; I60-F158 HydrophobicContact CG2-CE2 4.32Å; I60-F158 HydrophobicContact CG2-CG 4.21Å; I60-F158 HydrophobicContact CG2-CZ 4.03Å
61	T	98.9	Very high	98.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.4	172.9	-57.1	0	0	0	0	109.6	L38 L63 F143	L38-T61 HydrophobicContact CB-CG2 3.99Å; L38-T61 HydrophobicContact CD1-CG2 4.19Å; T61-L63 HydrophobicContact CG2-CD1 3.62Å; T61-F143 PolarHBondContact N-O 2.89Å; T61-F143 PolarHBondContact O-N 3.29Å
62	V	98.9	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.7	179.4	-168.2	0	0	0	0	109.8	C49 Q50 I52 I60 H140 M141 T142 F158 L167	C49-V62 WeakPolarHBondContact CA-O 3.32Å; Q50-V62 HydrophobicContact CB-CB 4.37Å; Q50-V62 PolarHBondContact N-O 3.35Å; Q50-V62 PolarHBondContact O-N 3.19Å; I52-V62 HydrophobicContact CD1-CG2 3.78Å; I60-V62 HydrophobicContact CG2-CG2 4.16Å; V62-H140 HydrophobicContact CG1-CB 4.16Å; V62-M141 WeakPolarHBondContact CA-O 3.31Å; V62-T142 HydrophobicContact CG1-CG2 4.06Å; V62-T142 HydrophobicContact CG2-CG2 4.06Å; V62-F158 HydrophobicContact CG2-CZ 4.06Å; V62-L167 HydrophobicContact CG1-CD1 4.47Å; V62-L167 HydrophobicContact CG1-CD2 4.16Å
63	L	98.9	Very high	98.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	171.3	-88.5	60.5	0	0	0	109.2	A42 L47 S48 C49 T61 L122 H140 M141 F143	A42-L63 HydrophobicContact CB-CD1 4.06Å; A42-L63 HydrophobicContact CB-CD2 3.78Å; A42-L63 HydrophobicContact CB-CG 3.62Å; L47-L63 HydrophobicContact CD1-CB 4.34Å; L47-L63 HydrophobicContact CD1-CD2 4.25Å; S48-L63 CarbonylContact O-C 3.59Å; S48-L63 WeakPolarHBondContact O-CA 3.38Å; C49-L63 HydrophobicContact CB-CD1 4.37Å; T61-L63 HydrophobicContact CG2-CD1 3.62Å; L63-L122 HydrophobicContact CD2-CD2 3.7Å; L63-H140 CarbonylContact O-C 3.55Å; L63-H140 WeakPolarHBondContact O-CA 3.45Å; L63-M141 HydrophobicContact CB-CB 4.28Å; L63-M141 HydrophobicContact CB-CE 3.96Å; L63-M141 HydrophobicContact CD2-CE 4.48Å; L63-M141 PolarHBondContact N-O 3.42Å; L63-M141 PolarHBondContact O-N 2.85Å; L63-F143 HydrophobicContact CB-CE2 4.4Å; L63-F143 HydrophobicContact CD1-CD2 4.45Å; L63-F143 HydrophobicContact CD1-CE2 4.16Å; L63-F143 HydrophobicContact CD2-CE2 4.28Å
64	T	98.9	Very high	98.2	Very high	20 Å²	20	40 Å²	40	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.7	-175	-58.7	0	0	0	0	112.2	S48 P66 T138 H140	S48-T64 PolarHBondContact N-O 3.36Å; S48-T64 PolarHBondContact O-N 2.74Å; S48-T64 WeakPolarHBondContact OG-CB 3.22Å; T64-P66 HydrophobicContact CG2-CG 4.42Å; T64-T138 HydrophobicContact CG2-CG2 3.6Å; T64-H140 VanDerWaalsContact CG2-CE1 3.45Å; T64-H140 WeakPolarHBondContact CG2-CE1 3.47Å; T64-H140 WeakPolarHBondContact CG2-ND1 3.36Å; T64-H140 PolarHBondContact OG1-ND1 3.48Å
65	W	98.7	Very high	98.2	Very high	14 Å²	14	41.2 Å²	41.2	5%	0.053	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	102.6	165.8	-174	13.9	0	0	0	109.7	L47 G67 V125 L128 K129 H133 F135 I139	L47-W65 HydrophobicContact CD2-CB 3.7Å; L47-W65 HydrophobicContact CD2-CG 4.11Å; W65-G67 PolarHBondContact O-N 3.23Å; W65-V125 HydrophobicContact CD2-CG1 4.35Å; W65-V125 HydrophobicContact CE3-CG1 3.8Å; W65-V125 HydrophobicContact CE3-CG2 4.31Å; W65-V125 HydrophobicContact CZ3-CG1 4.32Å; W65-L128 HydrophobicContact CH2-CB 3.84Å; W65-L128 HydrophobicContact CZ3-CB 4.06Å; W65-K129 HydrophobicContact CH2-CB 4.24Å; W65-K129 HydrophobicContact CZ2-CB 3.98Å; W65-K129 HydrophobicContact CZ2-CG 4.27Å; W65-H133 VanDerWaalsContact CZ2-O 3.3Å; W65-H133 WeakPolarHBondContact CZ2-O 3.1Å; W65-F135 AromaticContact CH2-CD2 3.87Å; W65-F135 HydrophobicContact CH2-CD2 3.87Å; W65-F135 AromaticContact CH2-CE2 3.52Å; W65-F135 HydrophobicContact CH2-CE2 3.52Å; W65-F135 AromaticContact CZ3-CD2 3.92Å; W65-F135 HydrophobicContact CZ3-CD2 3.92Å; W65-F135 AromaticContact CZ3-CE2 3.63Å; W65-F135 HydrophobicContact CZ3-CE2 3.63Å; W65-I139 HydrophobicContact CB-CB 4.43Å; W65-I139 HydrophobicContact CE3-CD1 3.88Å; W65-I139 HydrophobicContact CZ3-CD1 4.18Å; W65-I139 PolarHBondContact N-O 3.47Å; W65-I139 PolarHBondContact O-N 2.88Å
66	P	98.6	Very high	98.3	Very high	78 Å²	78	39.1 Å²	39.1	51%	0.506	25%	0.25	S	C	.	.			trans	-62.6	131	-176.7	-24.5	34.7	0	0	0	113	T64	T64-P66 HydrophobicContact CG2-CG 4.42Å
67	G	98.3	Very high	98.3	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	22%	0.219	C	C	.	.			trans	-74.1	170.6	172.1	0	0	0	0	0	112.4	W65 N69 F135 T138	W65-G67 PolarHBondContact O-N 3.23Å; G67-N69 VanDerWaalsContact C-N 3.34Å; G67-F135 CarbonylContact C-O 3.5Å; G67-F135 VanDerWaalsContact CA-O 3.25Å; G67-F135 WeakPolarHBondContact CA-O 3.14Å; G67-T138 PolarHBondContact N-OG1 2.95Å
68	T	98.7	Very high	98.4	Very high	84 Å²	84	32.7 Å²	32.7	52%	0.515	20%	0.198	S	C	.	.	S	Bend	trans	-80.3	-17.1	176.1	58.7	0	0	0	0	113	R134 F135 P136	T68-R134 HydrophobicContact CG2-CB 3.87Å; T68-F135 PolarHBondContact N-O 2.96Å; T68-F135 PolarHBondContact OG1-O 2.61Å; T68-P136 PolarHBondContact N-O 2.9Å; T68-P136 WeakPolarHBondContact OG1-CA 3.26Å
69	N	98.2	Very high	98.4	Very high	61 Å²	61	31 Å²	31	33%	0.326	19%	0.191	S	C	.	.			trans	-126.8	94.5	177.2	-173.7	-7.5	0	0	0	111.5	G67 S71 L72 P136	G67-N69 VanDerWaalsContact C-N 3.34Å; N69-S71 PolarHBondContact ND2-OG 3.35Å; N69-S71 PolarHBondContact O-N 2.62Å; N69-S71 VanDerWaalsContact O-N 3.12Å; N69-S71 WeakPolarHBondContact OD1-CB 3.42Å; N69-S71 PolarHBondContact OD1-N 3.36Å; N69-S71 VanDerWaalsContact OD1-N 3.11Å; N69-S71 PolarHBondContact OD1-OG 2.86Å; N69-L72 HydrophobicContact CB-CD1 4.14Å; N69-L72 HydrophobicContact CB-CG 4.28Å; N69-L72 PolarHBondContact O-N 2.89Å; N69-P136 CarbonylContact C-O 3.58Å; N69-P136 PolarHBondContact N-O 2.91Å
70	P	93.6	Very high	98.4	Very high	100 Å²	100	29.7 Å²	29.7	65%	0.649	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.1	-177.3	30.3	-36.2	0	0	0	114	L72 R168	P70-L72 VanDerWaalsContact C-N 3.33Å; P70-R168 PolarHBondContact O-NH1 2.94Å
71	S	97.7	Very high	98.4	Very high	69 Å²	69	30.1 Å²	30.1	48%	0.483	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.7	174.8	73.1	0	0	0	0	113	N69 R168	N69-S71 PolarHBondContact ND2-OG 3.35Å; N69-S71 PolarHBondContact O-N 2.62Å; N69-S71 VanDerWaalsContact O-N 3.12Å; N69-S71 WeakPolarHBondContact OD1-CB 3.42Å; N69-S71 PolarHBondContact OD1-N 3.36Å; N69-S71 VanDerWaalsContact OD1-N 3.11Å; N69-S71 PolarHBondContact OD1-OG 2.86Å; S71-R168 PolarHBondContact O-NH2 3.3Å
72	L	98.5	Very high	98.4	Very high	53 Å²	53	30 Å²	30	28%	0.277	18%	0.184	S	C	.	.	S	Bend	trans	-80.1	145.3	-178.2	-64.6	178.5	0	0	0	111.6	N69 P70 P136 R137	N69-L72 HydrophobicContact CB-CD1 4.14Å; N69-L72 HydrophobicContact CB-CG 4.28Å; N69-L72 PolarHBondContact O-N 2.89Å; P70-L72 VanDerWaalsContact C-N 3.33Å; L72-P136 HydrophobicContact CD1-CB 3.68Å; L72-R137 HydrophobicContact CB-CG 4.14Å; L72-R137 HydrophobicContact CD1-CG 4.1Å
73	P	98.6	Very high	98.4	Very high	51 Å²	51	30 Å²	30	33%	0.331	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-56.5	143.1	167.7	-25.4	33.9	0	0	0	112.2	R137 R168	P73-R137 WeakPolarHBondContact O-CD 3.34Å; P73-R137 WeakPolarHBondContact O-CG 2.98Å; P73-R137 PolarHBondContact O-NH1 3.02Å; P73-R168 CarbonylContact C-O 3.59Å; P73-R168 WeakPolarHBondContact CA-O 3.14Å; P73-R168 WeakPolarHBondContact CB-O 3.29Å
74	S	98.8	Very high	98.3	Very high	3 Å²	3	32 Å²	32	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	167.3	-177.5	63.1	0	0	0	0	112.8	T138 H140 L167 R168 G170 F171	S74-T138 CarbonylContact C-O 3.59Å; S74-T138 VanDerWaalsContact CA-O 3.27Å; S74-T138 WeakPolarHBondContact CA-O 3.34Å; S74-T138 VanDerWaalsContact CB-O 3.3Å; S74-T138 WeakPolarHBondContact CB-O 3.37Å; S74-H140 VanDerWaalsContact CB-CD2 3.41Å; S74-H140 WeakPolarHBondContact CB-CD2 3.3Å; S74-H140 PolarHBondContact OG-CD2 3.24Å; S74-L167 WeakPolarHBondContact CB-O 3.27Å; S74-L167 PolarHBondContact OG-O 2.81Å; S74-R168 PolarHBondContact N-O 3.44Å; S74-R168 PolarHBondContact OG-O 2.85Å; S74-G170 WeakPolarHBondContact O-CA 3.46Å; S74-G170 PolarHBondContact O-N 3.03Å; S74-F171 PolarHBondContact O-N 3.41Å
75	I	98.8	Very high	98.3	Very high	43 Å²	43	34.8 Å²	34.8	22%	0.221	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	165.6	-53.9	-59.4	0	0	0	107.8	L77 R137 T138 I139 H140 F171	I75-L77 HydrophobicContact CG2-CD2 4.22Å; I75-R137 HydrophobicContact CG1-CB 4.38Å; I75-T138 PolarHBondContact N-O 3.39Å; I75-I139 HydrophobicContact CB-CG1 4.47Å; I75-I139 WeakPolarHBondContact O-CA 3.22Å; I75-H140 PolarHBondContact O-N 3.46Å; I75-F171 HydrophobicContact CD1-CB 3.94Å; I75-F171 HydrophobicContact CD1-CD1 4.44Å; I75-F171 HydrophobicContact CG2-CD1 4.46Å
76	L	98.8	Very high	98.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.6	170.4	-91.2	117.3	0	0	0	110.5	H140 T142 L167 A169 F171 V172 L173	L76-H140 CarbonylContact C-O 3.56Å; L76-H140 WeakPolarHBondContact CA-O 3.33Å; L76-H140 HydrophobicContact CG-CB 4.26Å; L76-T142 HydrophobicContact CD2-CG2 3.4Å; L76-T142 VanDerWaalsContact CD2-CG2 3.4Å; L76-T142 WeakPolarHBondContact CD2-OG1 3.36Å; L76-L167 HydrophobicContact CD2-CD1 4.04Å; L76-A169 HydrophobicContact CD1-CB 3.15Å; L76-F171 PolarHBondContact N-O 3.33Å; L76-V172 HydrophobicContact CB-CB 4.32Å; L76-V172 HydrophobicContact CB-CG1 4.04Å; L76-V172 HydrophobicContact CB-CG2 4.05Å; L76-V172 CarbonylContact O-C 3.56Å; L76-V172 WeakPolarHBondContact O-CA 3.21Å; L76-L173 PolarHBondContact O-N 2.83Å
77	L	98.9	Very high	98.1	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	91.9	168.7	-58	-178.9	0	0	0	106.5	I75 Y121 I139 H140 M141 T142 L173	I75-L77 HydrophobicContact CG2-CD2 4.22Å; L77-Y121 HydrophobicContact CB-CD1 4.2Å; L77-Y121 HydrophobicContact CB-CD2 3.63Å; L77-Y121 HydrophobicContact CB-CE1 4.31Å; L77-Y121 HydrophobicContact CB-CE2 3.73Å; L77-Y121 HydrophobicContact CB-CG 3.86Å; L77-Y121 HydrophobicContact CD1-CD1 3.95Å; L77-Y121 HydrophobicContact CD1-CG 4.02Å; L77-Y121 HydrophobicContact CD2-CD1 4.33Å; L77-Y121 HydrophobicContact CD2-CE1 4.06Å; L77-Y121 HydrophobicContact CG-CD1 4.39Å; L77-Y121 HydrophobicContact CG-CG 4.44Å; L77-I139 HydrophobicContact CD1-CG2 3.83Å; L77-I139 HydrophobicContact CG-CG2 4.15Å; L77-H140 PolarHBondContact N-O 2.99Å; L77-M141 HydrophobicContact CB-CG 3.98Å; L77-M141 HydrophobicContact CD1-CG 4.16Å; L77-M141 VanDerWaalsContact O-CA 3.28Å; L77-M141 WeakPolarHBondContact O-CA 3.41Å; L77-T142 PolarHBondContact O-N 3.11Å; L77-L173 HydrophobicContact CD2-CB 4.14Å; L77-L173 HydrophobicContact CD2-CD1 3.86Å; L77-L173 HydrophobicContact CD2-CG 4.36Å
78	N	98.9	Very high	98	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.9	-175.9	-168.5	65.5	0	0	0	111.8	Y121 T142 M155 V172 L173 D174	N78-Y121 WeakPolarHBondContact O-CE2 3.46Å; N78-T142 WeakPolarHBondContact CA-OG1 3.43Å; N78-T142 WeakPolarHBondContact CB-OG1 3.21Å; N78-T142 WeakPolarHBondContact OD1-CB 3.46Å; N78-T142 PolarHBondContact OD1-O 3.42Å; N78-T142 PolarHBondContact OD1-OG1 2.82Å; N78-M155 VanDerWaalsContact ND2-CE 3.34Å; N78-M155 WeakPolarHBondContact ND2-CE 3.44Å; N78-M155 WeakPolarHBondContact OD1-CE 3.4Å; N78-V172 HydrophobicContact CB-CG1 4.09Å; N78-L173 PolarHBondContact N-O 2.78Å; N78-D174 WeakPolarHBondContact CB-OD2 3.34Å; N78-D174 PolarHBondContact ND2-OD2 3.21Å
79	S	98.8	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	152.3	167.6	55.6	0	0	0	0	111.2	M114 S118 T142 F143 V144	S79-M114 WeakPolarHBondContact CA-SD 3.29Å; S79-M114 VanDerWaalsContact CB-SD 3.59Å; S79-S118 WeakPolarHBondContact CB-OG 3.38Å; S79-S118 PolarHBondContact OG-OG 3.15Å; S79-T142 PolarHBondContact N-O 2.86Å; S79-F143 VanDerWaalsContact O-CA 3.32Å; S79-F143 WeakPolarHBondContact O-CA 3.35Å; S79-F143 VanDerWaalsContact OG-CD1 3.31Å; S79-F143 WeakPolarHBondContact OG-CD1 3.24Å; S79-V144 PolarHBondContact O-N 3.37Å
80	H	98.8	Very high	97.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	161.1	168.8	71.9	92.6	0	0	0	112.1	D82 D113 M114 V144 E147 E175	H80-D82 PolarHBondContact CE1-O 3.34Å; H80-D82 PolarHBondContact ND1-O 2.99Å; H80-D82 IonicContact ND1-OD1 2.87Å; H80-D113 IonicContact CE1-OD1 3.69Å; H80-D113 PolarHBondContact CE1-OD1 3.19Å; H80-D113 IonicContact NE2-OD1 3.75Å; H80-D113 PolarHBondContact NE2-OD1 3.1Å; H80-M114 VanDerWaalsContact CD2-CG 3.42Å; H80-M114 WeakPolarHBondContact CD2-CG 3.46Å; H80-M114 PolarHBondContact CD2-SD 2.86Å; H80-M114 PolarHBondContact N-SD 3.33Å; H80-M114 WeakPolarHBondContact NE2-CG 3.44Å; H80-V144 CarbonylContact C-O 3.58Å; H80-V144 VanDerWaalsContact CA-O 3.26Å; H80-V144 WeakPolarHBondContact CA-O 3.37Å; H80-V144 HydrophobicContact CB-CG2 3.85Å; H80-E147 HydrophobicContact CB-CB 3.31Å; H80-E147 HydrophobicContact CB-CG 3.89Å; H80-E147 IonicContact CD2-OE2 2.77Å; H80-E175 IonicContact CD2-OE1 2.79Å; H80-E175 IonicContact NE2-OE1 2.82Å
81	T	98.8	Very high	98.1	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.049	25%	0.248	C	C	.	.			trans	-111.5	-28.4	-172	57.4	0	0	0	0	113.1	Y19 T24 F143 V144	Y19-T81 WeakPolarHBondContact OH-CG2 3.41Å; T24-T81 WeakPolarHBondContact CB-O 3.42Å; T24-T81 PolarHBondContact OG1-O 2.89Å; T81-F143 HydrophobicContact CG2-CB 3.77Å; T81-V144 PolarHBondContact N-O 3.49Å; T81-V144 PolarHBondContact OG1-O 2.99Å
82	D	98.7	Very high	98.1	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.			trans	-76.7	161	176.2	57.1	-48.4	0	0	0	112.3	T24 Q26 P29 Y31 H80 D146 E147 E148	T24-D82 CarbonylContact O-C 3.3Å; T24-D82 VanDerWaalsContact O-CA 3.24Å; T24-D82 WeakPolarHBondContact O-CA 3.42Å; Q26-D82 PolarHBondContact NE2-OD2 2.87Å; P29-D82 HydrophobicContact CB-CB 4.42Å; P29-D82 HydrophobicContact CG-CB 4.03Å; Y31-D82 HydrophobicContact CE1-CB 3.96Å; H80-D82 PolarHBondContact CE1-O 3.34Å; H80-D82 PolarHBondContact ND1-O 2.99Å; H80-D82 IonicContact ND1-OD1 2.87Å; D82-D146 PolarHBondContact OD1-N 3.12Å; D82-D146 VanDerWaalsContact OD1-N 3.07Å; D82-D146 WeakPolarHBondContact OD2-CA 3.43Å; D82-D146 PolarHBondContact OD2-N 2.92Å; D82-E147 PolarHBondContact OD1-N 2.81Å; D82-E147 PolarHBondContact OD2-N 2.67Å; D82-E148 WeakPolarHBondContact OD2-CB 3.25Å; D82-E148 PolarHBondContact OD2-N 2.99Å
83	V	98.6	Very high	98.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-139.2	146.4	179.4	-62.8	0	0	0	0	109.9	T24 V25 Q26 F96 R109 E148	T24-V83 PolarHBondContact O-N 3.09Å; V25-V83 WeakPolarHBondContact CA-O 3.41Å; V25-V83 HydrophobicContact CB-CG2 4.02Å; V25-V83 HydrophobicContact CG2-CG2 4.29Å; Q26-V83 PolarHBondContact N-O 2.69Å; V83-F96 HydrophobicContact CG2-CE1 4.22Å; V83-R109 HydrophobicContact CB-CG 3.73Å; V83-R109 HydrophobicContact CG2-CG 3.51Å; V83-E148 WeakPolarHBondContact CA-OE1 3Å
84	V	97.4	Very high	98	Very high	43 Å²	43	54.2 Å²	54.2	26%	0.261	26%	0.262	S	S	.	.			trans	-61.2	158.8	177	-66.1	0	0	0	0	113.9	V25 R109 E148	V25-V84 WeakPolarHBondContact CG2-O 3.24Å; V84-R109 VanDerWaalsContact O-CD 3.25Å; V84-R109 WeakPolarHBondContact O-CD 3.39Å; V84-R109 PolarHBondContact O-NE 3.37Å; V84-E148 HydrophobicContact CG1-CB 4.17Å; V84-E148 HydrophobicContact CG1-CG 4.23Å; V84-E148 VanDerWaalsContact CG1-OE1 3.31Å; V84-E148 WeakPolarHBondContact CG1-OE1 3.44Å; V84-E148 WeakPolarHBondContact CG1-OE2 3.35Å; V84-E148 PolarHBondContact N-OE1 2.84Å
85	P	97.6	Very high	98	Very high	77 Å²	77	54.1 Å²	54.1	50%	0.5	26%	0.261	S	S	.	.			trans	-58.4	171.4	174.5	-23.2	34.9	0	0	0	114.9	Q26 R109	Q26-P85 HydrophobicContact CB-CG 4.27Å; P85-R109 PolarHBondContact O-NH2 3.29Å
86	V	96.4	Very high	98	Very high	31 Å²	31	53.3 Å²	53.3	19%	0.188	26%	0.256	C	S	.	.			trans	-137.1	149	179.4	-64.8	0	0	0	0	110.9	K88 W91 P95 F96 R109	V86-K88 HydrophobicContact CG2-CG 3.96Å; V86-W91 HydrophobicContact CG1-CZ2 4.01Å; V86-P95 HydrophobicContact CB-CG 4.24Å; V86-P95 HydrophobicContact CG1-CB 4.09Å; V86-P95 HydrophobicContact CG1-CG 4.25Å; V86-P95 HydrophobicContact CG2-CB 4.46Å; V86-P95 HydrophobicContact CG2-CG 3.75Å; V86-F96 HydrophobicContact CG1-CZ 4.43Å; V86-F96 HydrophobicContact CG2-CE2 3.81Å; V86-F96 HydrophobicContact CG2-CZ 4.16Å; V86-R109 HydrophobicContact CG1-CB 3.83Å; V86-R109 HydrophobicContact CG1-CG 3.97Å
87	F	96.9	Very high	98	Very high	145 Å²	145	58.8 Å²	58.8	64%	0.636	28%	0.281	S	S	*	.			trans	-98.6	95	161.9	-60.3	-52.5	0	0	0	107.7	E89 H90 W91	F87-E89 PolarHBondContact O-N 2.78Å; F87-E89 VanDerWaalsContact O-N 3.16Å; F87-H90 VanDerWaalsContact CB-ND1 3.34Å; F87-H90 WeakPolarHBondContact CB-ND1 3.24Å; F87-H90 PolarHBondContact O-N 3.35Å; F87-W91 VanDerWaalsContact O-CD1 3.32Å
88	K	95.8	Very high	97.9	Very high	108 Å²	108	57.8 Å²	57.8	47%	0.47	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-57.3	-31.4	-169.9	-72.9	-163.7	171.5	-154.4	0	113	V86 H90 W91 D94 P95	V86-K88 HydrophobicContact CG2-CG 3.96Å; K88-H90 PolarHBondContact O-N 2.93Å; K88-W91 WeakPolarHBondContact O-CB 3.46Å; K88-W91 PolarHBondContact O-N 3.45Å; K88-D94 IonicContact NZ-OD1 3.68Å; K88-D94 IonicContact NZ-OD2 3.82Å; K88-D94 PolarHBondContact NZ-OD2 2.88Å; K88-P95 HydrophobicContact CG-CG 4.15Å
89	E	97.5	Very high	97.9	Very high	145 Å²	145	61.3 Å²	61.3	68%	0.678	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.7	-19.8	177.3	63.6	-88.2	-152.3	0	0	114.2	F87	F87-E89 PolarHBondContact O-N 2.78Å; F87-E89 VanDerWaalsContact O-N 3.16Å
90	H	97.9	Very high	97.9	Very high	139 Å²	139	64.4 Å²	64.4	64%	0.644	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-96	0.5	176.6	-59.3	120.7	0	0	0	113.3	F87 K88	F87-H90 VanDerWaalsContact CB-ND1 3.34Å; F87-H90 WeakPolarHBondContact CB-ND1 3.24Å; F87-H90 PolarHBondContact O-N 3.35Å; K88-H90 PolarHBondContact O-N 2.93Å
91	W	98.1	Very high	97.8	Very high	78 Å²	78	65.8 Å²	65.8	30%	0.295	31%	0.312	S	S	.	.			trans	-97.5	136.1	178.9	-74.4	70.5	0	0	0	111.3	V86 F87 K88 H93 P95 R109	V86-W91 HydrophobicContact CG1-CZ2 4.01Å; F87-W91 VanDerWaalsContact O-CD1 3.32Å; K88-W91 WeakPolarHBondContact O-CB 3.46Å; K88-W91 PolarHBondContact O-N 3.45Å; W91-H93 VanDerWaalsContact C-N 3.31Å; W91-H93 VanDerWaalsContact CB-O 3.29Å; W91-H93 WeakPolarHBondContact CB-O 3.42Å; W91-P95 HydrophobicContact CD2-CB 3.71Å; W91-P95 HydrophobicContact CD2-CG 4.19Å; W91-P95 HydrophobicContact CE3-CB 3.78Å; W91-P95 HydrophobicContact CG-CB 4.33Å; W91-P95 HydrophobicContact CG-CG 4.3Å; W91-P95 HydrophobicContact CH2-CB 4.06Å; W91-P95 HydrophobicContact CZ2-CB 3.98Å; W91-P95 HydrophobicContact CZ3-CB 3.96Å; W91-R109 HydrophobicContact CH2-CB 4.36Å; W91-R109 HydrophobicContact CZ2-CB 4.39Å
92	H	97.3	Very high	97.7	Very high	178 Å²	178	71.4 Å²	71.4	82%	0.824	35%	0.352	S	S	*	.	S	Bend	trans	-74	-23.3	173.5	-64.6	91	0	0	0	112.9
93	H	97.8	Very high	97.6	Very high	58 Å²	58	78.7 Å²	78.7	27%	0.269	39%	0.386	S	S	.	.	S	Bend	trans	-136.1	151.2	179.3	-56.3	-65.1	0	0	0	109.2	W91 P95 F99 Y107	W91-H93 VanDerWaalsContact C-N 3.31Å; W91-H93 VanDerWaalsContact CB-O 3.29Å; W91-H93 WeakPolarHBondContact CB-O 3.42Å; H93-P95 WeakPolarHBondContact O-CD 3.35Å; H93-P95 VanDerWaalsContact O-N 3.15Å; H93-F99 HydrophobicContact CB-CB 3.92Å; H93-F99 HydrophobicContact CB-CD1 4.29Å; H93-F99 HydrophobicContact CB-CG 4.3Å; H93-F99 AromaticContact CD2-CD1 3.61Å; H93-F99 AromaticContact CE1-CD1 3.42Å; H93-F99 VanDerWaalsContact CE1-CD1 3.42Å; H93-F99 WeakPolarHBondContact CE1-CD1 3.49Å; H93-F99 AromaticContact CE1-CE1 3.27Å; H93-F99 WeakPolarHBondContact CE1-CE1 3.42Å; H93-F99 AromaticContact CG-CD1 3.49Å; H93-F99 VanDerWaalsContact CG-CD1 3.49Å; H93-F99 AromaticContact CG-CG 3.93Å; H93-F99 AromaticContact ND1-CD1 3.37Å; H93-F99 WeakPolarHBondContact ND1-CD1 3.33Å; H93-F99 AromaticContact ND1-CE1 3.65Å; H93-F99 AromaticContact ND1-CG 3.8Å; H93-F99 AromaticContact NE2-CD1 3.57Å; H93-F99 AromaticContact NE2-CE1 3.59Å; H93-Y107 AromaticContact CD2-CD2 3.67Å; H93-Y107 AromaticContact CD2-CG 3.68Å
94	D	98.2	Very high	97.5	Very high	52 Å²	52	80.8 Å²	80.8	28%	0.278	41%	0.408	S	S	.	.			trans	-59.1	125.1	178.8	-172.5	-58.1	0	0	0	110	K88 F96 E97	K88-D94 IonicContact NZ-OD1 3.68Å; K88-D94 IonicContact NZ-OD2 3.82Å; K88-D94 PolarHBondContact NZ-OD2 2.88Å; D94-F96 PolarHBondContact O-N 3.05Å; D94-F96 PolarHBondContact OD1-N 2.87Å; D94-E97 HydrophobicContact CB-CB 4.13Å; D94-E97 HydrophobicContact CB-CG 3.72Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.15Å
95	P	98.3	Very high	97.5	Very high	1 Å²	1	85.3 Å²	85.3	1%	0.006	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.9	-174.1	19.8	-29.9	0	0	0	114.6	V86 K88 W91 H93 A108 R109	V86-P95 HydrophobicContact CB-CG 4.24Å; V86-P95 HydrophobicContact CG1-CB 4.09Å; V86-P95 HydrophobicContact CG1-CG 4.25Å; V86-P95 HydrophobicContact CG2-CB 4.46Å; V86-P95 HydrophobicContact CG2-CG 3.75Å; K88-P95 HydrophobicContact CG-CG 4.15Å; W91-P95 HydrophobicContact CD2-CB 3.71Å; W91-P95 HydrophobicContact CD2-CG 4.19Å; W91-P95 HydrophobicContact CE3-CB 3.78Å; W91-P95 HydrophobicContact CG-CB 4.33Å; W91-P95 HydrophobicContact CG-CG 4.3Å; W91-P95 HydrophobicContact CH2-CB 4.06Å; W91-P95 HydrophobicContact CZ2-CB 3.98Å; W91-P95 HydrophobicContact CZ3-CB 3.96Å; H93-P95 WeakPolarHBondContact O-CD 3.35Å; H93-P95 VanDerWaalsContact O-N 3.15Å; P95-A108 CarbonylContact O-C 3.45Å; P95-A108 WeakPolarHBondContact O-CA 3.31Å; P95-A108 WeakPolarHBondContact O-CB 3.32Å; P95-R109 HydrophobicContact CB-CB 4.02Å; P95-R109 PolarHBondContact O-N 2.81Å
96	F	98.4	Very high	97.6	Very high	25 Å²	25	83.4 Å²	83.4	11%	0.11	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	9.7	-179.3	-55.3	-71.6	0	0	0	113.1	R21 V25 V83 V86 D94 R109	R21-F96 WeakPolarHBondContact CA-O 3.36Å; R21-F96 WeakPolarHBondContact CG-O 3.45Å; V25-F96 HydrophobicContact CB-CE1 3.89Å; V25-F96 HydrophobicContact CB-CZ 3.61Å; V25-F96 HydrophobicContact CG1-CE1 4.49Å; V25-F96 HydrophobicContact CG1-CZ 4.01Å; V25-F96 HydrophobicContact CG2-CE1 4.29Å; V25-F96 HydrophobicContact CG2-CZ 3.65Å; V83-F96 HydrophobicContact CG2-CE1 4.22Å; V86-F96 HydrophobicContact CG1-CZ 4.43Å; V86-F96 HydrophobicContact CG2-CE2 3.81Å; V86-F96 HydrophobicContact CG2-CZ 4.16Å; D94-F96 PolarHBondContact O-N 3.05Å; D94-F96 PolarHBondContact OD1-N 2.87Å; F96-R109 HydrophobicContact CE1-CB 3.82Å; F96-R109 HydrophobicContact CE1-CG 3.88Å; F96-R109 HydrophobicContact CZ-CB 4.1Å; F96-R109 HydrophobicContact CZ-CG 4.11Å
97	E	98.3	Very high	97.7	Very high	118 Å²	118	85.9 Å²	85.9	55%	0.551	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.5	174	-79	-174.1	166.5	0	0	113.5	R21 D94 F99	R21-E97 PolarHBondContact NE-O 3.06Å; R21-E97 PolarHBondContact NH2-O 2.84Å; D94-E97 HydrophobicContact CB-CB 4.13Å; D94-E97 HydrophobicContact CB-CG 3.72Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.15Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.2Å
98	A	98.3	Very high	97.8	Very high	0 Å²	0	79 Å²	79	0%	0	38%	0.383	C	S	.	.			trans	51.5	52.1	-172.8	0	0	0	0	0	111.3	R17 L20 R21 I106 Y107 A108	R17-A98 HydrophobicContact CB-CB 3.86Å; R17-A98 HydrophobicContact CG-CB 4.1Å; R17-A98 PolarHBondContact NE-O 3.29Å; R17-A98 PolarHBondContact NH2-O 3.36Å; L20-A98 HydrophobicContact CB-CB 3.73Å; L20-A98 HydrophobicContact CD1-CB 4.02Å; R21-A98 HydrophobicContact CG-CB 4.12Å; A98-I106 HydrophobicContact CB-CG2 4.43Å; A98-Y107 WeakPolarHBondContact CA-O 3.38Å; A98-A108 HydrophobicContact CB-CB 4.4Å
99	F	98.4	Very high	97.9	Very high	80 Å²	80	76.9 Å²	76.9	35%	0.351	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136	175	179.8	-100.5	0	0	0	109.3	H93 E97 D101 I106 Y107	H93-F99 HydrophobicContact CB-CB 3.92Å; H93-F99 HydrophobicContact CB-CD1 4.29Å; H93-F99 HydrophobicContact CB-CG 4.3Å; H93-F99 AromaticContact CD2-CD1 3.61Å; H93-F99 AromaticContact CE1-CD1 3.42Å; H93-F99 VanDerWaalsContact CE1-CD1 3.42Å; H93-F99 WeakPolarHBondContact CE1-CD1 3.49Å; H93-F99 AromaticContact CE1-CE1 3.27Å; H93-F99 WeakPolarHBondContact CE1-CE1 3.42Å; H93-F99 AromaticContact CG-CD1 3.49Å; H93-F99 VanDerWaalsContact CG-CD1 3.49Å; H93-F99 AromaticContact CG-CG 3.93Å; H93-F99 AromaticContact ND1-CD1 3.37Å; H93-F99 WeakPolarHBondContact ND1-CD1 3.33Å; H93-F99 AromaticContact ND1-CE1 3.65Å; H93-F99 AromaticContact ND1-CG 3.8Å; H93-F99 AromaticContact NE2-CD1 3.57Å; H93-F99 AromaticContact NE2-CE1 3.59Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.2Å; F99-D101 HydrophobicContact CE1-CB 3.76Å; F99-I106 CarbonylContact O-C 3.46Å; F99-I106 WeakPolarHBondContact O-CA 3.37Å; F99-Y107 HydrophobicContact CD1-CD2 4.33Å; F99-Y107 PolarHBondContact N-O 3.29Å; F99-Y107 PolarHBondContact O-N 2.89Å
100	K	98.3	Very high	97.9	Very high	65 Å²	65	70.1 Å²	70.1	28%	0.283	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.6	173.7	-170.3	-179.7	74	-171.5	0	107.8	E9 V13 Y105 I106	E9-K100 WeakPolarHBondContact OE1-CE 3.39Å; E9-K100 IonicContact OE1-NZ 3.56Å; E9-K100 PolarHBondContact OE1-NZ 3Å; V13-K100 HydrophobicContact CG1-CD 4.34Å; K100-Y105 VanDerWaalsContact CA-O 3.24Å; K100-Y105 WeakPolarHBondContact CA-O 3.38Å; K100-I106 HydrophobicContact CB-CG1 4.06Å; K100-I106 HydrophobicContact CD-CD1 4.37Å; K100-I106 HydrophobicContact CD-CG1 3.92Å; K100-I106 HydrophobicContact CG-CG1 3.73Å
101	D	97.1	Very high	98	Very high	30 Å²	30	65 Å²	65	16%	0.16	32%	0.321	C	S	.	.			trans	-78.1	-179.7	-180	70.6	13.1	0	0	0	112.3	F99 E103 G104 Y105 Y107	F99-D101 HydrophobicContact CE1-CB 3.76Å; D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 3.32Å; D101-E103 WeakPolarHBondContact OD1-CA 3.28Å; D101-E103 PolarHBondContact OD1-N 2.78Å; D101-G104 PolarHBondContact O-N 3.06Å; D101-G104 PolarHBondContact OD1-N 2.83Å; D101-Y105 PolarHBondContact N-O 3.38Å; D101-Y105 PolarHBondContact OD1-N 2.86Å; D101-Y107 HydrophobicContact CB-CE2 4.36Å; D101-Y107 WeakPolarHBondContact OD2-CE2 3.46Å
102	S	95.9	Very high	98	Very high	127 Å²	127	68.2 Å²	68.2	89%	0.888	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.3	177.5	51.4	0	0	0	0	114	G104	S102-G104 VanDerWaalsContact C-N 3.35Å
103	E	96.7	Very high	98	Very high	153 Å²	153	62.2 Å²	62.2	72%	0.715	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.8	177	-64.1	-175.1	-172.5	0	0	111.8	D101 Y105	D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 3.32Å; D101-E103 WeakPolarHBondContact OD1-CA 3.28Å; D101-E103 PolarHBondContact OD1-N 2.78Å; E103-Y105 HydrophobicContact CB-CD2 3.72Å; E103-Y105 HydrophobicContact CB-CE2 3.78Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å
104	G	96.3	Very high	98	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	30%	0.3	S	S	.	.			trans	99.5	3.9	175.6	0	0	0	0	0	114.3	D101 S102	D101-G104 PolarHBondContact O-N 3.06Å; D101-G104 PolarHBondContact OD1-N 2.83Å; S102-G104 VanDerWaalsContact C-N 3.35Å
105	Y	98.2	Very high	98.1	Very high	137 Å²	137	57 Å²	57	54%	0.537	29%	0.287	S	S	.	.			trans	-74.5	133.9	176.6	-63.7	-81.5	0	0	0	110.7	K100 D101 E103	K100-Y105 VanDerWaalsContact CA-O 3.24Å; K100-Y105 WeakPolarHBondContact CA-O 3.38Å; D101-Y105 PolarHBondContact N-O 3.38Å; D101-Y105 PolarHBondContact OD1-N 2.86Å; E103-Y105 HydrophobicContact CB-CD2 3.72Å; E103-Y105 HydrophobicContact CB-CE2 3.78Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å
106	I	98.7	Very high	98.1	Very high	37 Å²	37	58 Å²	58	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.6	176.1	-59.4	168.4	0	0	0	108.5	V13 F16 R17 L20 A98 F99 K100	V13-I106 HydrophobicContact CG1-CD1 3.71Å; F16-I106 HydrophobicContact CD1-CD1 3.99Å; F16-I106 HydrophobicContact CE1-CD1 4.22Å; R17-I106 HydrophobicContact CG-CD1 4.12Å; R17-I106 HydrophobicContact CG-CG2 4.14Å; L20-I106 HydrophobicContact CD1-CG2 3.76Å; A98-I106 HydrophobicContact CB-CG2 4.43Å; F99-I106 CarbonylContact O-C 3.46Å; F99-I106 WeakPolarHBondContact O-CA 3.37Å; K100-I106 HydrophobicContact CB-CG1 4.06Å; K100-I106 HydrophobicContact CD-CD1 4.37Å; K100-I106 HydrophobicContact CD-CG1 3.92Å; K100-I106 HydrophobicContact CG-CG1 3.73Å
107	Y	98.8	Very high	98.1	Very high	83 Å²	83	57.8 Å²	57.8	33%	0.325	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.9	179.6	-64	-94.1	0	0	0	109.9	H93 A98 F99 D101	H93-Y107 AromaticContact CD2-CD2 3.67Å; H93-Y107 AromaticContact CD2-CG 3.68Å; A98-Y107 WeakPolarHBondContact CA-O 3.38Å; F99-Y107 HydrophobicContact CD1-CD2 4.33Å; F99-Y107 PolarHBondContact N-O 3.29Å; F99-Y107 PolarHBondContact O-N 2.89Å; D101-Y107 HydrophobicContact CB-CE2 4.36Å; D101-Y107 WeakPolarHBondContact OD2-CE2 3.46Å
108	A	98.8	Very high	98.1	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	27%	0.269	C	S	.	.			trans	-161	148.6	171.1	0	0	0	0	0	111.5	L20 P95 A98 G110 S111	L20-A108 HydrophobicContact CB-CB 4.01Å; L20-A108 HydrophobicContact CD1-CB 3.84Å; L20-A108 HydrophobicContact CD2-CB 3.86Å; L20-A108 HydrophobicContact CG-CB 4.12Å; P95-A108 CarbonylContact O-C 3.45Å; P95-A108 WeakPolarHBondContact O-CA 3.31Å; P95-A108 WeakPolarHBondContact O-CB 3.32Å; A98-A108 HydrophobicContact CB-CB 4.4Å; A108-G110 PolarHBondContact O-N 3.34Å; A108-S111 VanDerWaalsContact O-CB 3.27Å; A108-S111 WeakPolarHBondContact O-CB 3.23Å; A108-S111 PolarHBondContact O-N 3.41Å; A108-S111 PolarHBondContact O-OG 3.05Å
109	R	98.8	Very high	98.1	Very high	63 Å²	63	52.5 Å²	52.5	24%	0.238	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	124.3	159.6	168.8	57.1	67.4	-157.8	5.1	107.6	V83 V84 P85 V86 W91 P95 F96	V83-R109 HydrophobicContact CB-CG 3.73Å; V83-R109 HydrophobicContact CG2-CG 3.51Å; V84-R109 VanDerWaalsContact O-CD 3.25Å; V84-R109 WeakPolarHBondContact O-CD 3.39Å; V84-R109 PolarHBondContact O-NE 3.37Å; P85-R109 PolarHBondContact O-NH2 3.29Å; V86-R109 HydrophobicContact CG1-CB 3.83Å; V86-R109 HydrophobicContact CG1-CG 3.97Å; W91-R109 HydrophobicContact CH2-CB 4.36Å; W91-R109 HydrophobicContact CZ2-CB 4.39Å; P95-R109 HydrophobicContact CB-CB 4.02Å; P95-R109 PolarHBondContact O-N 2.81Å; F96-R109 HydrophobicContact CE1-CB 3.82Å; F96-R109 HydrophobicContact CE1-CG 3.88Å; F96-R109 HydrophobicContact CZ-CB 4.1Å; F96-R109 HydrophobicContact CZ-CG 4.11Å
110	G	98.3	Very high	98.2	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.7	-11.2	-172.1	0	0	0	0	0	114.9	L20 A108 D113 K115	L20-G110 VanDerWaalsContact CD2-C 3.47Å; A108-G110 PolarHBondContact O-N 3.34Å; G110-D113 CarbonylContact C-O 3.46Å; G110-D113 WeakPolarHBondContact CA-O 3.45Å; G110-K115 WeakPolarHBondContact O-CB 3.33Å; G110-K115 PolarHBondContact O-N 2.89Å; G110-K115 VanDerWaalsContact O-N 3.16Å
111	S	98.4	Very high	98.2	Very high	33 Å²	33	52.8 Å²	52.8	23%	0.231	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.8	-169.9	55.5	0	0	0	0	114.2	F16 A108 S116	F16-S111 WeakPolarHBondContact CZ-O 3.47Å; A108-S111 VanDerWaalsContact O-CB 3.27Å; A108-S111 WeakPolarHBondContact O-CB 3.23Å; A108-S111 PolarHBondContact O-N 3.41Å; A108-S111 PolarHBondContact O-OG 3.05Å; S111-S116 VanDerWaalsContact O-CB 3.24Å; S111-S116 WeakPolarHBondContact O-CB 3.38Å; S111-S116 PolarHBondContact O-OG 2.95Å
112	Q	98.4	Very high	98.3	Very high	144 Å²	144	51.4 Å²	51.4	67%	0.673	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-44.4	170.5	-66.8	-175.4	-4.4	0	0	110.8	S116	Q112-S116 PolarHBondContact O-OG 2.59Å; Q112-S116 VanDerWaalsContact O-OG 3.08Å
113	D	97.6	Very high	98.4	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	107	-166.4	173.2	8.6	0	0	0	110.9	H80 G110	H80-D113 IonicContact CE1-OD1 3.69Å; H80-D113 PolarHBondContact CE1-OD1 3.19Å; H80-D113 IonicContact NE2-OD1 3.75Å; H80-D113 PolarHBondContact NE2-OD1 3.1Å; G110-D113 CarbonylContact C-O 3.46Å; G110-D113 WeakPolarHBondContact CA-O 3.45Å
114	M	98.7	Very high	98.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	cis	-122	21.3	-22.9	75.8	174.3	-66.3	0	0	112.5	S79 H80 S116 V117 S118 E175	S79-M114 WeakPolarHBondContact CA-SD 3.29Å; S79-M114 VanDerWaalsContact CB-SD 3.59Å; H80-M114 VanDerWaalsContact CD2-CG 3.42Å; H80-M114 WeakPolarHBondContact CD2-CG 3.46Å; H80-M114 PolarHBondContact CD2-SD 2.86Å; H80-M114 PolarHBondContact N-SD 3.33Å; H80-M114 WeakPolarHBondContact NE2-CG 3.44Å; M114-S116 PolarHBondContact O-N 2.88Å; M114-V117 HydrophobicContact CE-CB 3.68Å; M114-V117 HydrophobicContact CE-CG1 3.56Å; M114-V117 HydrophobicContact CE-CG2 4.19Å; M114-V117 WeakPolarHBondContact O-CB 3.17Å; M114-V117 PolarHBondContact O-N 2.97Å; M114-S118 PolarHBondContact O-N 3.31Å; M114-E175 HydrophobicContact CB-CB 4.11Å; M114-E175 HydrophobicContact CE-CB 3.6Å; M114-E175 VanDerWaalsContact CE-N 3.34Å; M114-E175 HydrophobicContact SD-CB 3.79Å; M114-E175 HydrophobicContact SD-CG 4.33Å
115	K	98.8	Very high	98.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-24.1	-177	-66.6	-170	169.1	-177.4	0	113.2	F16 Y19 L20 I22 T24 G110 I119	F16-K115 HydrophobicContact CE2-CB 4.21Å; Y19-K115 HydrophobicContact CD1-CB 3.71Å; Y19-K115 HydrophobicContact CD1-CD 3.83Å; Y19-K115 HydrophobicContact CD1-CG 3.85Å; Y19-K115 HydrophobicContact CE1-CB 3.79Å; Y19-K115 HydrophobicContact CE1-CD 3.82Å; Y19-K115 HydrophobicContact CE1-CG 3.56Å; Y19-K115 HydrophobicContact CG-CD 4.43Å; Y19-K115 PolarHBondContact O-NZ 3.11Å; L20-K115 HydrophobicContact CD2-CB 4.01Å; L20-K115 HydrophobicContact CD2-CD 4.03Å; I22-K115 PolarHBondContact O-NZ 2.92Å; T24-K115 WeakPolarHBondContact OG1-CE 3.41Å; T24-K115 PolarHBondContact OG1-NZ 3.36Å; G110-K115 WeakPolarHBondContact O-CB 3.33Å; G110-K115 PolarHBondContact O-N 2.89Å; G110-K115 VanDerWaalsContact O-N 3.16Å; K115-I119 WeakPolarHBondContact O-CG1 3.47Å; K115-I119 PolarHBondContact O-N 3.35Å
116	S	98.8	Very high	98.7	Very high	20 Å²	20	36.7 Å²	36.7	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-48.6	171.5	53.5	0	0	0	0	111.5	F16 S111 Q112 M114 I119 Q120	F16-S116 VanDerWaalsContact CE2-CA 3.44Å; S111-S116 VanDerWaalsContact O-CB 3.24Å; S111-S116 WeakPolarHBondContact O-CB 3.38Å; S111-S116 PolarHBondContact O-OG 2.95Å; Q112-S116 PolarHBondContact O-OG 2.59Å; Q112-S116 VanDerWaalsContact O-OG 3.08Å; M114-S116 PolarHBondContact O-N 2.88Å; S116-I119 PolarHBondContact O-N 3.37Å; S116-Q120 WeakPolarHBondContact O-CB 3.48Å; S116-Q120 WeakPolarHBondContact O-CG 3.16Å; S116-Q120 PolarHBondContact O-N 3.05Å
117	V	98.8	Very high	98.6	Very high	22 Å²	22	41.5 Å²	41.5	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-46.2	179.5	178	0	0	0	0	110.6	M114 I119 Q120 Y121	M114-V117 HydrophobicContact CE-CB 3.68Å; M114-V117 HydrophobicContact CE-CG1 3.56Å; M114-V117 HydrophobicContact CE-CG2 4.19Å; M114-V117 WeakPolarHBondContact O-CB 3.17Å; M114-V117 PolarHBondContact O-N 2.97Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 3.5Å; V117-Q120 WeakPolarHBondContact O-CB 3.26Å; V117-Q120 PolarHBondContact O-N 2.85Å; V117-Y121 HydrophobicContact CG1-CD2 4.03Å; V117-Y121 HydrophobicContact CG1-CE1 3.95Å; V117-Y121 HydrophobicContact CG1-CE2 3.35Å; V117-Y121 WeakPolarHBondContact CG1-OH 3.35Å; V117-Y121 WeakPolarHBondContact O-CD2 3.49Å; V117-Y121 PolarHBondContact O-N 2.95Å
118	S	98.8	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.5	-45.9	175.7	-54	0	0	0	0	112.4	S79 M114 L122	S79-S118 WeakPolarHBondContact CB-OG 3.38Å; S79-S118 PolarHBondContact OG-OG 3.15Å; M114-S118 PolarHBondContact O-N 3.31Å; S118-L122 WeakPolarHBondContact O-CG 3.46Å; S118-L122 PolarHBondContact O-N 3.35Å
119	I	98.9	Very high	98.6	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-76.1	-34.5	-178.7	-61.2	-57.7	0	0	0	111.9	L15 F16 Y19 F37 K115 S116 V117 Y121 L122 E123	L15-I119 HydrophobicContact CD2-CG2 4.14Å; L15-I119 HydrophobicContact CG-CD1 4.33Å; L15-I119 HydrophobicContact CG-CG2 4.22Å; F16-I119 HydrophobicContact CB-CB 4.42Å; F16-I119 HydrophobicContact CB-CG2 3.96Å; F16-I119 HydrophobicContact CD2-CB 4.29Å; F16-I119 HydrophobicContact CD2-CG1 4.05Å; Y19-I119 HydrophobicContact CD1-CD1 3.75Å; Y19-I119 HydrophobicContact CD1-CG1 3.8Å; Y19-I119 HydrophobicContact CG-CD1 3.88Å; Y19-I119 HydrophobicContact CG-CG1 4.28Å; F37-I119 HydrophobicContact CE1-CD1 3.9Å; F37-I119 HydrophobicContact CZ-CD1 3.93Å; K115-I119 WeakPolarHBondContact O-CG1 3.47Å; K115-I119 PolarHBondContact O-N 3.35Å; S116-I119 PolarHBondContact O-N 3.37Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 3.5Å; I119-Y121 VanDerWaalsContact C-N 3.31Å; I119-Y121 PolarHBondContact O-N 3.28Å; I119-L122 HydrophobicContact CD1-CD1 4.02Å; I119-L122 PolarHBondContact O-N 2.84Å; I119-E123 HydrophobicContact CG2-CG 4.25Å; I119-E123 WeakPolarHBondContact O-CB 3.41Å; I119-E123 PolarHBondContact O-N 3.37Å
120	Q	98.9	Very high	98.5	Very high	121 Å²	121	45.1 Å²	45.1	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-59.6	-42.9	172.6	-74.4	165.1	-3.1	0	0	111.2	S116 V117 A124	S116-Q120 WeakPolarHBondContact O-CB 3.48Å; S116-Q120 WeakPolarHBondContact O-CG 3.16Å; S116-Q120 PolarHBondContact O-N 3.05Å; V117-Q120 WeakPolarHBondContact O-CB 3.26Å; V117-Q120 PolarHBondContact O-N 2.85Å; Q120-A124 WeakPolarHBondContact O-CB 3.42Å; Q120-A124 PolarHBondContact O-N 2.97Å
121	Y	98.9	Very high	98.5	Very high	29 Å²	29	50.4 Å²	50.4	11%	0.114	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-50.2	174.8	-64.2	-26.9	0	0	0	112.4	L77 N78 V117 I119 E123 A124 V125 L173	L77-Y121 HydrophobicContact CB-CD1 4.2Å; L77-Y121 HydrophobicContact CB-CD2 3.63Å; L77-Y121 HydrophobicContact CB-CE1 4.31Å; L77-Y121 HydrophobicContact CB-CE2 3.73Å; L77-Y121 HydrophobicContact CB-CG 3.86Å; L77-Y121 HydrophobicContact CD1-CD1 3.95Å; L77-Y121 HydrophobicContact CD1-CG 4.02Å; L77-Y121 HydrophobicContact CD2-CD1 4.33Å; L77-Y121 HydrophobicContact CD2-CE1 4.06Å; L77-Y121 HydrophobicContact CG-CD1 4.39Å; L77-Y121 HydrophobicContact CG-CG 4.44Å; N78-Y121 WeakPolarHBondContact O-CE2 3.46Å; V117-Y121 HydrophobicContact CG1-CD2 4.03Å; V117-Y121 HydrophobicContact CG1-CE1 3.95Å; V117-Y121 HydrophobicContact CG1-CE2 3.35Å; V117-Y121 WeakPolarHBondContact CG1-OH 3.35Å; V117-Y121 WeakPolarHBondContact O-CD2 3.49Å; V117-Y121 PolarHBondContact O-N 2.95Å; I119-Y121 VanDerWaalsContact C-N 3.31Å; I119-Y121 PolarHBondContact O-N 3.28Å; Y121-E123 PolarHBondContact O-N 3.48Å; Y121-A124 PolarHBondContact O-N 3.23Å; Y121-V125 WeakPolarHBondContact O-CB 3.37Å; Y121-V125 WeakPolarHBondContact O-CG2 3.15Å; Y121-V125 PolarHBondContact O-N 3.27Å; Y121-L173 WeakPolarHBondContact OH-CB 3.39Å
122	L	98.8	Very high	98.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-45.3	178.9	-71	172.2	0	0	0	112	F37 L38 R41 L45 L63 S118 I119 R126 M141 F143	F37-L122 HydrophobicContact CE1-CD1 4.46Å; L38-L122 HydrophobicContact CD2-CD1 4.19Å; R41-L122 HydrophobicContact CB-CD1 4.48Å; R41-L122 HydrophobicContact CG-CD1 4.38Å; L45-L122 HydrophobicContact CD1-CD2 4.27Å; L63-L122 HydrophobicContact CD2-CD2 3.7Å; S118-L122 WeakPolarHBondContact O-CG 3.46Å; S118-L122 PolarHBondContact O-N 3.35Å; I119-L122 HydrophobicContact CD1-CD1 4.02Å; I119-L122 PolarHBondContact O-N 2.84Å; L122-R126 WeakPolarHBondContact O-CB 3.44Å; L122-R126 PolarHBondContact O-N 2.87Å; L122-M141 HydrophobicContact CD2-CE 4.09Å; L122-M141 HydrophobicContact CD2-SD 3.87Å; L122-M141 HydrophobicContact CG-SD 4.39Å; L122-F143 HydrophobicContact CD1-CZ 4.4Å; L122-F143 HydrophobicContact CD2-CZ 4.09Å; L122-F143 HydrophobicContact CG-CZ 4.18Å
123	E	98.8	Very high	98.5	Very high	20 Å²	20	48.3 Å²	48.3	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-72.8	-34.6	-178.3	-77.8	-69	101	0	0	112.9	S12 L15 I119 Y121 R126 R127	S12-E123 WeakPolarHBondContact CB-OE2 3.34Å; S12-E123 PolarHBondContact OG-OE2 2.91Å; L15-E123 HydrophobicContact CD2-CG 3.98Å; I119-E123 HydrophobicContact CG2-CG 4.25Å; I119-E123 WeakPolarHBondContact O-CB 3.41Å; I119-E123 PolarHBondContact O-N 3.37Å; Y121-E123 PolarHBondContact O-N 3.48Å; E123-R126 PolarHBondContact O-N 2.87Å; E123-R126 WeakPolarHBondContact OE1-CD 3.27Å; E123-R126 IonicContact OE1-CZ 3.53Å; E123-R126 IonicContact OE1-NE 3.24Å; E123-R126 PolarHBondContact OE1-NE 3.12Å; E123-R126 IonicContact OE1-NH2 2.91Å; E123-R126 IonicContact OE2-CZ 3.53Å; E123-R126 IonicContact OE2-NE 3.96Å; E123-R126 PolarHBondContact OE2-NE 3.35Å; E123-R126 IonicContact OE2-NH2 3.84Å; E123-R126 PolarHBondContact OE2-NH2 3.08Å; E123-R127 WeakPolarHBondContact O-CB 3.27Å; E123-R127 VanDerWaalsContact O-CG 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.18Å; E123-R127 PolarHBondContact O-N 2.84Å
124	A	98.8	Very high	98.5	Very high	46 Å²	46	54 Å²	54	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-47.9	172.8	0	0	0	0	0	111	Q120 Y121 R126 R127 L128	Q120-A124 WeakPolarHBondContact O-CB 3.42Å; Q120-A124 PolarHBondContact O-N 2.97Å; Y121-A124 PolarHBondContact O-N 3.23Å; A124-R126 PolarHBondContact O-N 3.24Å; A124-R127 PolarHBondContact O-N 3.47Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 WeakPolarHBondContact O-CG 3.41Å; A124-L128 PolarHBondContact O-N 3.18Å
125	V	98.7	Very high	98.5	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-45	175.5	168.4	0	0	0	0	110.9	L47 W65 Y121 R127 L128 K129 M141	L47-V125 HydrophobicContact CD1-CG1 4.11Å; L47-V125 HydrophobicContact CD2-CG1 4.34Å; W65-V125 HydrophobicContact CD2-CG1 4.35Å; W65-V125 HydrophobicContact CE3-CG1 3.8Å; W65-V125 HydrophobicContact CE3-CG2 4.31Å; W65-V125 HydrophobicContact CZ3-CG1 4.32Å; Y121-V125 WeakPolarHBondContact O-CB 3.37Å; Y121-V125 WeakPolarHBondContact O-CG2 3.15Å; Y121-V125 PolarHBondContact O-N 3.27Å; V125-R127 PolarHBondContact O-N 3.41Å; V125-L128 PolarHBondContact O-N 3.16Å; V125-K129 VanDerWaalsContact O-CB 3.22Å; V125-K129 WeakPolarHBondContact O-CB 3.42Å; V125-K129 PolarHBondContact O-N 2.78Å; V125-M141 HydrophobicContact CB-CE 4.25Å; V125-M141 HydrophobicContact CB-SD 4.47Å; V125-M141 HydrophobicContact CG1-CE 4.15Å; V125-M141 HydrophobicContact CG2-CE 4.01Å; V125-M141 HydrophobicContact CG2-SD 3.96Å
126	R	98.5	Very high	98.5	Very high	82 Å²	82	60.8 Å²	60.8	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-55.3	-51.6	176.3	-177	-172.6	66.4	65.7	1.8	111.4	L45 L122 E123 A124 K129 S130	L45-R126 HydrophobicContact CD1-CB 4.45Å; L45-R126 HydrophobicContact CD2-CB 3.44Å; L45-R126 VanDerWaalsContact CD2-CB 3.44Å; L45-R126 HydrophobicContact CD2-CG 3.32Å; L122-R126 WeakPolarHBondContact O-CB 3.44Å; L122-R126 PolarHBondContact O-N 2.87Å; E123-R126 PolarHBondContact O-N 2.87Å; E123-R126 WeakPolarHBondContact OE1-CD 3.27Å; E123-R126 IonicContact OE1-CZ 3.53Å; E123-R126 IonicContact OE1-NE 3.24Å; E123-R126 PolarHBondContact OE1-NE 3.12Å; E123-R126 IonicContact OE1-NH2 2.91Å; E123-R126 IonicContact OE2-CZ 3.53Å; E123-R126 IonicContact OE2-NE 3.96Å; E123-R126 PolarHBondContact OE2-NE 3.35Å; E123-R126 IonicContact OE2-NH2 3.84Å; E123-R126 PolarHBondContact OE2-NH2 3.08Å; A124-R126 PolarHBondContact O-N 3.24Å; R126-K129 PolarHBondContact O-N 3.19Å; R126-S130 WeakPolarHBondContact O-CB 3.35Å; R126-S130 PolarHBondContact O-N 3.22Å; R126-S130 PolarHBondContact O-OG 3.15Å
127	R	98.6	Very high	98.5	Very high	139 Å²	139	64.8 Å²	64.8	53%	0.525	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-53.4	-178.4	-74.5	170.8	60.2	-166.3	-3	110.9	E123 A124 V125 K129 S130 E131	E123-R127 WeakPolarHBondContact O-CB 3.27Å; E123-R127 VanDerWaalsContact O-CG 3.23Å; E123-R127 WeakPolarHBondContact O-CG 3.18Å; E123-R127 PolarHBondContact O-N 2.84Å; A124-R127 PolarHBondContact O-N 3.47Å; V125-R127 PolarHBondContact O-N 3.41Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 2.71Å; R127-S130 WeakPolarHBondContact CA-OG 3.42Å; R127-S130 PolarHBondContact O-N 3.26Å; R127-S130 VanDerWaalsContact O-N 3.11Å; R127-S130 PolarHBondContact O-OG 2.75Å; R127-E131 WeakPolarHBondContact O-CB 3.22Å; R127-E131 WeakPolarHBondContact O-CG 3.45Å; R127-E131 PolarHBondContact O-N 2.91Å
128	L	98.7	Very high	98.5	Very high	58 Å²	58	64.8 Å²	64.8	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-42.3	-179.1	-69.1	170	0	0	0	112	W65 A124 V125 E131 G132 H133 F135	W65-L128 HydrophobicContact CH2-CB 3.84Å; W65-L128 HydrophobicContact CZ3-CB 4.06Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 WeakPolarHBondContact O-CG 3.41Å; A124-L128 PolarHBondContact O-N 3.18Å; V125-L128 PolarHBondContact O-N 3.16Å; L128-E131 PolarHBondContact O-N 3.39Å; L128-G132 PolarHBondContact O-N 2.81Å; L128-H133 HydrophobicContact CB-CB 4.42Å; L128-H133 WeakPolarHBondContact O-CB 3.45Å; L128-H133 PolarHBondContact O-CD2 2.86Å; L128-H133 VanDerWaalsContact O-CD2 3.22Å; L128-H133 PolarHBondContact O-N 3.28Å; L128-H133 VanDerWaalsContact O-N 3.09Å; L128-F135 HydrophobicContact CB-CE2 4.49Å; L128-F135 HydrophobicContact CD1-CE2 4.09Å; L128-F135 HydrophobicContact CD1-CZ 4.16Å; L128-F135 HydrophobicContact CD2-CZ 4.35Å
129	K	97.7	Very high	98.5	Very high	82 Å²	82	66 Å²	66	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-39	177.4	-170.8	170.5	177.3	-75.5	0	112.1	L45 L47 W65 V125 R126 R127 E131 G132	L45-K129 VanDerWaalsContact O-CE 3.29Å; L45-K129 WeakPolarHBondContact O-CE 3.42Å; L45-K129 PolarHBondContact O-NZ 2.96Å; L47-K129 HydrophobicContact CD2-CD 4.37Å; W65-K129 HydrophobicContact CH2-CB 4.24Å; W65-K129 HydrophobicContact CZ2-CB 3.98Å; W65-K129 HydrophobicContact CZ2-CG 4.27Å; V125-K129 VanDerWaalsContact O-CB 3.22Å; V125-K129 WeakPolarHBondContact O-CB 3.42Å; V125-K129 PolarHBondContact O-N 2.78Å; R126-K129 PolarHBondContact O-N 3.19Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 2.71Å; K129-E131 VanDerWaalsContact C-N 3.3Å; K129-E131 PolarHBondContact O-N 2.66Å; K129-G132 PolarHBondContact O-N 2.95Å; K129-G132 VanDerWaalsContact O-N 3.16Å
130	S	97.4	Very high	98.5	Very high	84 Å²	84	66.4 Å²	66.4	59%	0.587	33%	0.328	S	S	*	.	H	α-helix	trans	-68.6	-28.4	177.2	69.1	0	0	0	0	113.4	R126 R127 G132	R126-S130 WeakPolarHBondContact O-CB 3.35Å; R126-S130 PolarHBondContact O-N 3.22Å; R126-S130 PolarHBondContact O-OG 3.15Å; R127-S130 WeakPolarHBondContact CA-OG 3.42Å; R127-S130 PolarHBondContact O-N 3.26Å; R127-S130 VanDerWaalsContact O-N 3.11Å; R127-S130 PolarHBondContact O-OG 2.75Å; S130-G132 PolarHBondContact O-N 2.65Å
131	E	98.3	Very high	98.5	Very high	112 Å²	112	60.6 Å²	60.6	52%	0.523	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.8	174	-70.5	166.3	-158.2	0	0	112.6	R127 L128 K129 H133	R127-E131 WeakPolarHBondContact O-CB 3.22Å; R127-E131 WeakPolarHBondContact O-CG 3.45Å; R127-E131 PolarHBondContact O-N 2.91Å; L128-E131 PolarHBondContact O-N 3.39Å; K129-E131 VanDerWaalsContact C-N 3.3Å; K129-E131 PolarHBondContact O-N 2.66Å; E131-H133 IonicContact OE2-CD2 3.86Å; E131-H133 IonicContact OE2-NE2 3.03Å; E131-H133 PolarHBondContact OE2-NE2 2.96Å
132	G	98.1	Very high	98.5	Very high	58 Å²	58	59.2 Å²	59.2	60%	0.598	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	10.3	175.4	0	0	0	0	0	115.1	L128 K129 S130	L128-G132 PolarHBondContact O-N 2.81Å; K129-G132 PolarHBondContact O-N 2.95Å; K129-G132 VanDerWaalsContact O-N 3.16Å; S130-G132 PolarHBondContact O-N 2.65Å
133	H	98.5	Very high	98.5	Very high	76 Å²	76	59.3 Å²	59.3	35%	0.352	30%	0.296	S	S	.	.			trans	-63.5	148.3	178.7	-65.3	-80.6	0	0	0	111.8	W65 L128 E131 F135	W65-H133 VanDerWaalsContact CZ2-O 3.3Å; W65-H133 WeakPolarHBondContact CZ2-O 3.1Å; L128-H133 HydrophobicContact CB-CB 4.42Å; L128-H133 WeakPolarHBondContact O-CB 3.45Å; L128-H133 PolarHBondContact O-CD2 2.86Å; L128-H133 VanDerWaalsContact O-CD2 3.22Å; L128-H133 PolarHBondContact O-N 3.28Å; L128-H133 VanDerWaalsContact O-N 3.09Å; E131-H133 IonicContact OE2-CD2 3.86Å; E131-H133 IonicContact OE2-NE2 3.03Å; E131-H133 PolarHBondContact OE2-NE2 2.96Å; H133-F135 HydrophobicContact CB-CE1 4.38Å; H133-F135 HydrophobicContact CB-CE2 4.22Å; H133-F135 HydrophobicContact CB-CZ 3.84Å
134	R	97.9	Very high	98.5	Very high	172 Å²	172	58.5 Å²	58.5	65%	0.649	29%	0.293	S	S	*	.			trans	-140.8	132.3	171.3	-63.2	-66.8	-78.7	-86.3	-0.1	108.6	T68	T68-R134 HydrophobicContact CG2-CB 3.87Å
135	F	98.1	Very high	98.5	Very high	72 Å²	72	56.3 Å²	56.3	32%	0.316	28%	0.275	S	S	.	.			trans	-113.5	153.3	-176.8	-56	-63.8	0	0	0	111.6	W65 G67 T68 L128 H133 R137 I139	W65-F135 AromaticContact CH2-CD2 3.87Å; W65-F135 HydrophobicContact CH2-CD2 3.87Å; W65-F135 AromaticContact CH2-CE2 3.52Å; W65-F135 HydrophobicContact CH2-CE2 3.52Å; W65-F135 AromaticContact CZ3-CD2 3.92Å; W65-F135 HydrophobicContact CZ3-CD2 3.92Å; W65-F135 AromaticContact CZ3-CE2 3.63Å; W65-F135 HydrophobicContact CZ3-CE2 3.63Å; G67-F135 CarbonylContact C-O 3.5Å; G67-F135 VanDerWaalsContact CA-O 3.25Å; G67-F135 WeakPolarHBondContact CA-O 3.14Å; T68-F135 PolarHBondContact N-O 2.96Å; T68-F135 PolarHBondContact OG1-O 2.61Å; L128-F135 HydrophobicContact CB-CE2 4.49Å; L128-F135 HydrophobicContact CD1-CE2 4.09Å; L128-F135 HydrophobicContact CD1-CZ 4.16Å; L128-F135 HydrophobicContact CD2-CZ 4.35Å; H133-F135 HydrophobicContact CB-CE1 4.38Å; H133-F135 HydrophobicContact CB-CE2 4.22Å; H133-F135 HydrophobicContact CB-CZ 3.84Å; F135-R137 PolarHBondContact O-N 2.95Å; F135-I139 HydrophobicContact CD2-CD1 4.16Å
136	P	98.6	Very high	98.5	Very high	72 Å²	72	56.6 Å²	56.6	47%	0.468	28%	0.276	S	S	.	.	S	Bend	trans	-60.2	-43.3	175.6	-26.1	35.6	0	0	0	113.5	T68 N69 L72	T68-P136 PolarHBondContact N-O 2.9Å; T68-P136 WeakPolarHBondContact OG1-CA 3.26Å; N69-P136 CarbonylContact C-O 3.58Å; N69-P136 PolarHBondContact N-O 2.91Å; L72-P136 HydrophobicContact CD1-CB 3.68Å
137	R	98.8	Very high	98.5	Very high	103 Å²	103	56.2 Å²	56.2	39%	0.389	28%	0.278	S	S	.	.	S	Bend	trans	-88	141.3	-176.1	-61	-179.6	-175.7	-80.8	0	110.8	L72 P73 I75 F135	L72-R137 HydrophobicContact CB-CG 4.14Å; L72-R137 HydrophobicContact CD1-CG 4.1Å; P73-R137 WeakPolarHBondContact O-CD 3.34Å; P73-R137 WeakPolarHBondContact O-CG 2.98Å; P73-R137 PolarHBondContact O-NH1 3.02Å; I75-R137 HydrophobicContact CG1-CB 4.38Å; F135-R137 PolarHBondContact O-N 2.95Å
138	T	98.9	Very high	98.3	Very high	22 Å²	22	51.9 Å²	51.9	14%	0.135	26%	0.263	C	S	.	.			trans	-66.3	141.2	167.1	-63.7	0	0	0	0	110.1	T64 G67 S74 I75 H140	T64-T138 HydrophobicContact CG2-CG2 3.6Å; G67-T138 PolarHBondContact N-OG1 2.95Å; S74-T138 CarbonylContact C-O 3.59Å; S74-T138 VanDerWaalsContact CA-O 3.27Å; S74-T138 WeakPolarHBondContact CA-O 3.34Å; S74-T138 VanDerWaalsContact CB-O 3.3Å; S74-T138 WeakPolarHBondContact CB-O 3.37Å; I75-T138 PolarHBondContact N-O 3.39Å; T138-H140 VanDerWaalsContact CG2-CE1 3.4Å; T138-H140 WeakPolarHBondContact CG2-CE1 3.48Å; T138-H140 WeakPolarHBondContact CG2-NE2 3.17Å
139	I	98.9	Very high	98.2	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.128	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.5	172.3	-62.5	169.3	0	0	0	108	W65 I75 L77 F135	W65-I139 HydrophobicContact CB-CB 4.43Å; W65-I139 HydrophobicContact CE3-CD1 3.88Å; W65-I139 HydrophobicContact CZ3-CD1 4.18Å; W65-I139 PolarHBondContact N-O 3.47Å; W65-I139 PolarHBondContact O-N 2.88Å; I75-I139 HydrophobicContact CB-CG1 4.47Å; I75-I139 WeakPolarHBondContact O-CA 3.22Å; L77-I139 HydrophobicContact CD1-CG2 3.83Å; L77-I139 HydrophobicContact CG-CG2 4.15Å; F135-I139 HydrophobicContact CD2-CD1 4.16Å
140	H	98.9	Very high	97.9	Very high	16 Å²	16	51 Å²	51	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132	169.4	-56.2	-73.2	0	0	0	109	V62 L63 T64 S74 I75 L76 L77 T138 L167	V62-H140 HydrophobicContact CG1-CB 4.16Å; L63-H140 CarbonylContact O-C 3.55Å; L63-H140 WeakPolarHBondContact O-CA 3.45Å; T64-H140 VanDerWaalsContact CG2-CE1 3.45Å; T64-H140 WeakPolarHBondContact CG2-CE1 3.47Å; T64-H140 WeakPolarHBondContact CG2-ND1 3.36Å; T64-H140 PolarHBondContact OG1-ND1 3.48Å; S74-H140 VanDerWaalsContact CB-CD2 3.41Å; S74-H140 WeakPolarHBondContact CB-CD2 3.3Å; S74-H140 PolarHBondContact OG-CD2 3.24Å; I75-H140 PolarHBondContact O-N 3.46Å; L76-H140 CarbonylContact C-O 3.56Å; L76-H140 WeakPolarHBondContact CA-O 3.33Å; L76-H140 HydrophobicContact CG-CB 4.26Å; L77-H140 PolarHBondContact N-O 2.99Å; T138-H140 VanDerWaalsContact CG2-CE1 3.4Å; T138-H140 WeakPolarHBondContact CG2-CE1 3.48Å; T138-H140 WeakPolarHBondContact CG2-NE2 3.17Å; H140-L167 PolarHBondContact NE2-O 2.84Å
141	M	98.9	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119	165.9	-69.5	167.6	-72.4	0	0	107.8	L47 V62 L63 L77 L122 V125 F143	L47-M141 HydrophobicContact CD1-CE 3.5Å; V62-M141 WeakPolarHBondContact CA-O 3.31Å; L63-M141 HydrophobicContact CB-CB 4.28Å; L63-M141 HydrophobicContact CB-CE 3.96Å; L63-M141 HydrophobicContact CD2-CE 4.48Å; L63-M141 PolarHBondContact N-O 3.42Å; L63-M141 PolarHBondContact O-N 2.85Å; L77-M141 HydrophobicContact CB-CG 3.98Å; L77-M141 HydrophobicContact CD1-CG 4.16Å; L77-M141 VanDerWaalsContact O-CA 3.28Å; L77-M141 WeakPolarHBondContact O-CA 3.41Å; L122-M141 HydrophobicContact CD2-CE 4.09Å; L122-M141 HydrophobicContact CD2-SD 3.87Å; L122-M141 HydrophobicContact CG-SD 4.39Å; V125-M141 HydrophobicContact CB-CE 4.25Å; V125-M141 HydrophobicContact CB-SD 4.47Å; V125-M141 HydrophobicContact CG1-CE 4.15Å; V125-M141 HydrophobicContact CG2-CE 4.01Å; V125-M141 HydrophobicContact CG2-SD 3.96Å; M141-F143 HydrophobicContact CB-CE2 3.7Å; M141-F143 HydrophobicContact CB-CZ 3.82Å
142	T	98.9	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.7	179	44.1	0	0	0	0	109.7	V62 L76 L77 N78 S79 F158 L167	V62-T142 HydrophobicContact CG1-CG2 4.06Å; V62-T142 HydrophobicContact CG2-CG2 4.06Å; L76-T142 HydrophobicContact CD2-CG2 3.4Å; L76-T142 VanDerWaalsContact CD2-CG2 3.4Å; L76-T142 WeakPolarHBondContact CD2-OG1 3.36Å; L77-T142 PolarHBondContact O-N 3.11Å; N78-T142 WeakPolarHBondContact CA-OG1 3.43Å; N78-T142 WeakPolarHBondContact CB-OG1 3.21Å; N78-T142 WeakPolarHBondContact OD1-CB 3.46Å; N78-T142 PolarHBondContact OD1-O 3.42Å; N78-T142 PolarHBondContact OD1-OG1 2.82Å; S79-T142 PolarHBondContact N-O 2.86Å; T142-F158 HydrophobicContact CG2-CE1 4.06Å; T142-L167 HydrophobicContact CG2-CD1 4.25Å
143	F	98.9	Very high	97.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.8	178.9	-55.7	-83.3	0	0	0	108	L38 T61 L63 S79 T81 L122 M141	L38-F143 HydrophobicContact CD1-CB 3.51Å; L38-F143 HydrophobicContact CD1-CD1 4.06Å; L38-F143 HydrophobicContact CD1-CD2 3.72Å; L38-F143 HydrophobicContact CD1-CE2 4.47Å; L38-F143 HydrophobicContact CD1-CG 3.47Å; L38-F143 VanDerWaalsContact CD1-CG 3.47Å; L38-F143 HydrophobicContact CD2-CD1 3.89Å; L38-F143 HydrophobicContact CD2-CD2 3.86Å; L38-F143 HydrophobicContact CD2-CE1 3.8Å; L38-F143 HydrophobicContact CD2-CE2 3.77Å; L38-F143 HydrophobicContact CD2-CG 3.92Å; L38-F143 HydrophobicContact CD2-CZ 3.73Å; L38-F143 HydrophobicContact CG-CD2 4.33Å; L38-F143 HydrophobicContact CG-CG 4.34Å; T61-F143 PolarHBondContact N-O 2.89Å; T61-F143 PolarHBondContact O-N 3.29Å; L63-F143 HydrophobicContact CB-CE2 4.4Å; L63-F143 HydrophobicContact CD1-CD2 4.45Å; L63-F143 HydrophobicContact CD1-CE2 4.16Å; L63-F143 HydrophobicContact CD2-CE2 4.28Å; S79-F143 VanDerWaalsContact O-CA 3.32Å; S79-F143 WeakPolarHBondContact O-CA 3.35Å; S79-F143 VanDerWaalsContact OG-CD1 3.31Å; S79-F143 WeakPolarHBondContact OG-CD1 3.24Å; T81-F143 HydrophobicContact CG2-CB 3.77Å; L122-F143 HydrophobicContact CD1-CZ 4.4Å; L122-F143 HydrophobicContact CD2-CZ 4.09Å; L122-F143 HydrophobicContact CG-CZ 4.18Å; M141-F143 HydrophobicContact CB-CE2 3.7Å; M141-F143 HydrophobicContact CB-CZ 3.82Å
144	V	98.7	Very high	97.9	Very high	3 Å²	3	46 Å²	46	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146	-172.4	-55.9	0	0	0	0	112	I60 S79 H80 T81 M155	I60-V144 HydrophobicContact CD1-CB 4.08Å; I60-V144 HydrophobicContact CD1-CG1 3.96Å; I60-V144 HydrophobicContact CG2-CG1 4.09Å; S79-V144 PolarHBondContact O-N 3.37Å; H80-V144 CarbonylContact C-O 3.58Å; H80-V144 VanDerWaalsContact CA-O 3.26Å; H80-V144 WeakPolarHBondContact CA-O 3.37Å; H80-V144 HydrophobicContact CB-CG2 3.85Å; T81-V144 PolarHBondContact N-O 3.49Å; T81-V144 PolarHBondContact OG1-O 2.99Å; V144-M155 HydrophobicContact CG1-CE 3.47Å; V144-M155 VanDerWaalsContact CG1-CE 3.47Å; V144-M155 HydrophobicContact CG1-SD 4.37Å; V144-M155 HydrophobicContact CG2-CE 4.43Å
145	P	98.6	Very high	97.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.209	C	C	.	.	S	Bend	trans	-85.7	173.2	165.8	36.5	-32.6	0	0	0	110.9	Y31 F58 I60 E147 G154	Y31-P145 HydrophobicContact CD1-CB 3.89Å; Y31-P145 HydrophobicContact CD2-CB 4.42Å; Y31-P145 HydrophobicContact CE1-CB 3.34Å; Y31-P145 HydrophobicContact CE2-CB 3.94Å; Y31-P145 HydrophobicContact CG-CB 4.4Å; F58-P145 HydrophobicContact CB-CG 4.02Å; F58-P145 HydrophobicContact CD1-CB 4.02Å; F58-P145 HydrophobicContact CD1-CG 3.95Å; F58-P145 HydrophobicContact CG-CG 4.49Å; I60-P145 HydrophobicContact CD1-CG 4.25Å; P145-E147 VanDerWaalsContact C-N 3.33Å; P145-E147 PolarHBondContact O-N 2.93Å; P145-G154 WeakPolarHBondContact O-CA 3.17Å
146	D	98.5	Very high	97.9	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.053	21%	0.213	C	C	.	.			trans	74.3	5.8	160.6	-154.6	70.2	0	0	0	116.7	Y31 F58 D82 E148 V149 G151 H152 K153	Y31-D146 PolarHBondContact OH-N 3.23Å; F58-D146 HydrophobicContact CD1-CB 3.98Å; F58-D146 HydrophobicContact CE1-CB 3.9Å; F58-D146 WeakPolarHBondContact CE1-OD1 3.29Å; D82-D146 PolarHBondContact OD1-N 3.12Å; D82-D146 VanDerWaalsContact OD1-N 3.07Å; D82-D146 WeakPolarHBondContact OD2-CA 3.43Å; D82-D146 PolarHBondContact OD2-N 2.92Å; D146-E148 VanDerWaalsContact C-N 3.34Å; D146-E148 PolarHBondContact O-N 3.12Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 VanDerWaalsContact CG-CG2 3.45Å; D146-V149 VanDerWaalsContact O-CG2 3.29Å; D146-V149 WeakPolarHBondContact O-CG2 3.24Å; D146-V149 PolarHBondContact O-N 3.38Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.44Å; D146-G151 WeakPolarHBondContact O-CA 3.49Å; D146-G151 PolarHBondContact O-N 2.85Å; D146-H152 PolarHBondContact OD2-N 3.02Å; D146-K153 HydrophobicContact CB-CB 4.35Å; D146-K153 WeakPolarHBondContact OD2-CB 3.46Å; D146-K153 PolarHBondContact OD2-N 2.99Å
147	E	98.4	Very high	97.9	Very high	74 Å²	74	39.7 Å²	39.7	35%	0.346	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.5	-43.9	-175.3	-166.4	-68.7	145.7	0	0	111.4	H80 D82 P145 V149 G150	H80-E147 HydrophobicContact CB-CB 3.31Å; H80-E147 HydrophobicContact CB-CG 3.89Å; H80-E147 IonicContact CD2-OE2 2.77Å; D82-E147 PolarHBondContact OD1-N 2.81Å; D82-E147 PolarHBondContact OD2-N 2.67Å; P145-E147 VanDerWaalsContact C-N 3.33Å; P145-E147 PolarHBondContact O-N 2.93Å; E147-V149 PolarHBondContact O-N 3.42Å; E147-G150 PolarHBondContact O-N 3.39Å
148	E	95.7	Very high	97.9	Very high	47 Å²	47	34.8 Å²	34.8	22%	0.22	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-68.4	-6	-172.8	-67	-87.2	-130.9	0	0	113.5	Q26 D82 V83 V84 D146	Q26-E148 HydrophobicContact CG-CB 4.23Å; D82-E148 WeakPolarHBondContact OD2-CB 3.25Å; D82-E148 PolarHBondContact OD2-N 2.99Å; V83-E148 WeakPolarHBondContact CA-OE1 3Å; V84-E148 HydrophobicContact CG1-CB 4.17Å; V84-E148 HydrophobicContact CG1-CG 4.23Å; V84-E148 VanDerWaalsContact CG1-OE1 3.31Å; V84-E148 WeakPolarHBondContact CG1-OE1 3.44Å; V84-E148 WeakPolarHBondContact CG1-OE2 3.35Å; V84-E148 PolarHBondContact N-OE1 2.84Å; D146-E148 VanDerWaalsContact C-N 3.34Å; D146-E148 PolarHBondContact O-N 3.12Å
149	V	94.6	Very high	97.9	Very high	75 Å²	75	36.3 Å²	36.3	46%	0.455	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-121.5	14.6	175.6	-61.4	0	0	0	0	112.6	Q26 D146 E147	Q26-V149 HydrophobicContact CG-CG1 4.18Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 VanDerWaalsContact CG-CG2 3.45Å; D146-V149 VanDerWaalsContact O-CG2 3.29Å; D146-V149 WeakPolarHBondContact O-CG2 3.24Å; D146-V149 PolarHBondContact O-N 3.38Å; D146-V149 WeakPolarHBondContact OD1-CG2 3.44Å; E147-V149 PolarHBondContact O-N 3.42Å
150	G	92.7	Very high	97.8	Very high	47 Å²	47	41.5 Å²	41.5	49%	0.485	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	-1.9	173.2	0	0	0	0	0	115.5	E147 H152	E147-G150 PolarHBondContact O-N 3.39Å; G150-H152 PolarHBondContact O-N 3.03Å
151	G	96.6	Very high	97.7	Very high	7 Å²	7	45 Å²	45	7%	0.072	23%	0.228	C	C	.	.	S	Bend	trans	71.1	10.3	174.8	0	0	0	0	0	115.4	D146 K153 G154 M155 E156	D146-G151 WeakPolarHBondContact O-CA 3.49Å; D146-G151 PolarHBondContact O-N 2.85Å; G151-K153 VanDerWaalsContact C-N 3.26Å; G151-K153 PolarHBondContact O-N 3.2Å; G151-G154 CarbonylContact O-C 3.47Å; G151-G154 PolarHBondContact O-N 2.86Å; G151-M155 PolarHBondContact O-N 3.21Å; G151-E156 WeakPolarHBondContact O-CB 3.41Å; G151-E156 PolarHBondContact O-N 3.33Å; G151-E156 VanDerWaalsContact O-N 3.07Å
152	H	97.9	Very high	97.7	Very high	113 Å²	113	49.5 Å²	49.5	52%	0.523	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.4	-175.1	-62.7	-53.6	0	0	0	113.7	D146 G150 E156 L157	D146-H152 PolarHBondContact OD2-N 3.02Å; G150-H152 PolarHBondContact O-N 3.03Å; H152-E156 IonicContact CE1-OE2 3.64Å; H152-E156 IonicContact CG-OE2 2.62Å; H152-E156 IonicContact ND1-OE2 3.53Å; H152-E156 PolarHBondContact ND1-OE2 2.82Å; H152-L157 VanDerWaalsContact O-CG 3.29Å; H152-L157 WeakPolarHBondContact O-CG 3.49Å
153	K	98.3	Very high	97.7	Very high	106 Å²	106	51.6 Å²	51.6	46%	0.461	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	3.5	174.5	-61.7	176.5	-176.5	169.2	0	112.8	V54 V55 F58 D146 G151	V54-K153 WeakPolarHBondContact CG2-O 3.45Å; V55-K153 HydrophobicContact CG2-CB 3.8Å; V55-K153 HydrophobicContact CG2-CG 4.18Å; F58-K153 WeakPolarHBondContact CB-O 3.45Å; F58-K153 HydrophobicContact CD1-CB 3.71Å; F58-K153 HydrophobicContact CD2-CB 4.28Å; F58-K153 HydrophobicContact CD2-CD 4.24Å; F58-K153 HydrophobicContact CE1-CB 3.91Å; F58-K153 HydrophobicContact CE1-CD 4.04Å; F58-K153 HydrophobicContact CE2-CB 4.46Å; F58-K153 HydrophobicContact CE2-CD 3.72Å; F58-K153 HydrophobicContact CG-CB 3.92Å; F58-K153 HydrophobicContact CZ-CB 4.28Å; F58-K153 HydrophobicContact CZ-CD 3.61Å; D146-K153 HydrophobicContact CB-CB 4.35Å; D146-K153 WeakPolarHBondContact OD2-CB 3.46Å; D146-K153 PolarHBondContact OD2-N 2.99Å; G151-K153 VanDerWaalsContact C-N 3.26Å; G151-K153 PolarHBondContact O-N 3.2Å
154	G	98.6	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-109.9	-179.2	0	0	0	0	0	111.6	P145 G151 E156 L157 F158	P145-G154 WeakPolarHBondContact O-CA 3.17Å; G151-G154 CarbonylContact O-C 3.47Å; G151-G154 PolarHBondContact O-N 2.86Å; G154-E156 VanDerWaalsContact C-N 3.3Å; G154-E156 PolarHBondContact O-N 3.07Å; G154-L157 PolarHBondContact O-N 3.15Å; G154-F158 PolarHBondContact O-N 3.49Å
155	M	98.3	Very high	97.7	Very high	49 Å²	49	58.2 Å²	58.2	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-37.4	-173.5	-173.5	57.3	83.8	0	0	113.1	N78 V144 G151 L157 F158 V159	N78-M155 VanDerWaalsContact ND2-CE 3.34Å; N78-M155 WeakPolarHBondContact ND2-CE 3.44Å; N78-M155 WeakPolarHBondContact OD1-CE 3.4Å; V144-M155 HydrophobicContact CG1-CE 3.47Å; V144-M155 VanDerWaalsContact CG1-CE 3.47Å; V144-M155 HydrophobicContact CG1-SD 4.37Å; V144-M155 HydrophobicContact CG2-CE 4.43Å; G151-M155 PolarHBondContact O-N 3.21Å; M155-L157 PolarHBondContact O-N 2.97Å; M155-F158 PolarHBondContact O-N 3.05Å; M155-F158 VanDerWaalsContact O-N 3.09Å; M155-F158 HydrophobicContact SD-CB 4.38Å; M155-F158 HydrophobicContact SD-CD1 3.96Å; M155-V159 HydrophobicContact CG-CG1 4.1Å; M155-V159 PolarHBondContact O-N 3.31Å; M155-V159 HydrophobicContact SD-CG1 3.64Å
156	E	98.3	Very high	97.7	Very high	82 Å²	82	61.7 Å²	61.7	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-36.1	-177.8	-160.2	-153.4	144.9	0	0	112.4	G151 H152 G154 K160	G151-E156 WeakPolarHBondContact O-CB 3.41Å; G151-E156 PolarHBondContact O-N 3.33Å; G151-E156 VanDerWaalsContact O-N 3.07Å; H152-E156 IonicContact CE1-OE2 3.64Å; H152-E156 IonicContact CG-OE2 2.62Å; H152-E156 IonicContact ND1-OE2 3.53Å; H152-E156 PolarHBondContact ND1-OE2 2.82Å; G154-E156 VanDerWaalsContact C-N 3.3Å; G154-E156 PolarHBondContact O-N 3.07Å; E156-K160 WeakPolarHBondContact O-CD 3.4Å; E156-K160 WeakPolarHBondContact O-CE 3.11Å; E156-K160 IonicContact OE1-NZ 3.8Å; E156-K160 PolarHBondContact OE1-NZ 3.04Å
157	L	98.6	Very high	97.7	Very high	51 Å²	51	61.8 Å²	61.8	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-79.2	-41.3	174	-63.2	179.3	0	0	0	110.9	V54 V55 H152 G154 M155 V159 K160 R161	V54-L157 HydrophobicContact CB-CB 4.03Å; V54-L157 HydrophobicContact CB-CD1 4.5Å; V54-L157 HydrophobicContact CG2-CB 4.44Å; V55-L157 HydrophobicContact CG1-CD1 3.48Å; V55-L157 VanDerWaalsContact CG1-CD1 3.48Å; V55-L157 HydrophobicContact CG2-CD1 4.32Å; H152-L157 VanDerWaalsContact O-CG 3.29Å; H152-L157 WeakPolarHBondContact O-CG 3.49Å; G154-L157 PolarHBondContact O-N 3.15Å; M155-L157 PolarHBondContact O-N 2.97Å; L157-V159 PolarHBondContact O-N 3Å; L157-K160 WeakPolarHBondContact O-CB 3.5Å; L157-K160 PolarHBondContact O-N 3.09Å; L157-K160 VanDerWaalsContact O-N 3.08Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å
158	F	98.7	Very high	97.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-43	-174.9	-175.2	-133	0	0	0	113	I52 V54 I60 V62 T142 G154 M155 K160 R161 E163 F164 L167	I52-F158 HydrophobicContact CD1-CE2 3.54Å; I52-F158 HydrophobicContact CD1-CZ 3.97Å; I52-F158 HydrophobicContact CG2-CD2 4.42Å; I52-F158 HydrophobicContact CG2-CE2 4.29Å; V54-F158 HydrophobicContact CG1-CB 4.14Å; V54-F158 HydrophobicContact CG1-CD2 4.26Å; I60-F158 HydrophobicContact CB-CD2 4.32Å; I60-F158 HydrophobicContact CB-CE2 4.48Å; I60-F158 HydrophobicContact CB-CG 4.41Å; I60-F158 HydrophobicContact CD1-CB 4.21Å; I60-F158 HydrophobicContact CD1-CG 4.43Å; I60-F158 HydrophobicContact CG1-CB 3.92Å; I60-F158 HydrophobicContact CG1-CD1 4.27Å; I60-F158 HydrophobicContact CG1-CD2 3.84Å; I60-F158 HydrophobicContact CG1-CE2 4.48Å; I60-F158 HydrophobicContact CG1-CG 3.74Å; I60-F158 HydrophobicContact CG2-CD1 3.92Å; I60-F158 HydrophobicContact CG2-CD2 4.38Å; I60-F158 HydrophobicContact CG2-CE1 3.8Å; I60-F158 HydrophobicContact CG2-CE2 4.32Å; I60-F158 HydrophobicContact CG2-CG 4.21Å; I60-F158 HydrophobicContact CG2-CZ 4.03Å; V62-F158 HydrophobicContact CG2-CZ 4.06Å; T142-F158 HydrophobicContact CG2-CE1 4.06Å; G154-F158 PolarHBondContact O-N 3.49Å; M155-F158 PolarHBondContact O-N 3.05Å; M155-F158 VanDerWaalsContact O-N 3.09Å; M155-F158 HydrophobicContact SD-CB 4.38Å; M155-F158 HydrophobicContact SD-CD1 3.96Å; F158-K160 PolarHBondContact O-N 2.81Å; F158-R161 HydrophobicContact CD2-CB 4.34Å; F158-R161 HydrophobicContact CD2-CG 4.41Å; F158-R161 WeakPolarHBondContact O-CB 3.36Å; F158-R161 PolarHBondContact O-N 3.25Å; F158-E163 HydrophobicContact CE2-CB 4.45Å; F158-F164 HydrophobicContact CD1-CB 4.49Å; F158-F164 AromaticContact CD1-CD2 3.79Å; F158-F164 HydrophobicContact CD1-CD2 3.79Å; F158-F164 HydrophobicContact CD2-CB 4.27Å; F158-F164 HydrophobicContact CE1-CB 4.28Å; F158-F164 AromaticContact CE1-CD2 3.56Å; F158-F164 HydrophobicContact CE1-CD2 3.56Å; F158-F164 HydrophobicContact CE1-CE2 4.42Å; F158-F164 HydrophobicContact CE1-CG 4.4Å; F158-F164 HydrophobicContact CE2-CB 3.99Å; F158-F164 HydrophobicContact CG-CB 4.5Å; F158-F164 HydrophobicContact CZ-CB 4.01Å; F158-F164 HydrophobicContact CZ-CD2 4.07Å; F158-F164 WeakPolarHBondContact O-CB 3.46Å; F158-L167 HydrophobicContact CE1-CD1 4.37Å; F158-L167 HydrophobicContact CZ-CD1 4.12Å
159	V	98.3	Very high	97.8	Very high	55 Å²	55	64.1 Å²	64.1	33%	0.333	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15	179.8	-61.6	0	0	0	0	114	M155 L157 F164 Q165	M155-V159 HydrophobicContact CG-CG1 4.1Å; M155-V159 PolarHBondContact O-N 3.31Å; M155-V159 HydrophobicContact SD-CG1 3.64Å; L157-V159 PolarHBondContact O-N 3Å; V159-F164 HydrophobicContact CB-CD1 4.26Å; V159-F164 HydrophobicContact CB-CE1 4.15Å; V159-F164 HydrophobicContact CB-CZ 4.4Å; V159-F164 HydrophobicContact CG1-CD2 4.41Å; V159-F164 HydrophobicContact CG1-CE1 4.16Å; V159-F164 HydrophobicContact CG1-CE2 4.03Å; V159-F164 HydrophobicContact CG1-CZ 3.9Å; V159-Q165 PolarHBondContact O-NE2 3.03Å; V159-Q165 PolarHBondContact O-OE1 3.4Å
160	K	98.1	Very high	97.9	Very high	133 Å²	133	63 Å²	63	58%	0.578	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.6	177.5	-56.2	169.4	-171.1	163.1	0	112.3	E156 L157 F158	E156-K160 WeakPolarHBondContact O-CD 3.4Å; E156-K160 WeakPolarHBondContact O-CE 3.11Å; E156-K160 IonicContact OE1-NZ 3.8Å; E156-K160 PolarHBondContact OE1-NZ 3.04Å; L157-K160 WeakPolarHBondContact O-CB 3.5Å; L157-K160 PolarHBondContact O-N 3.09Å; L157-K160 VanDerWaalsContact O-N 3.08Å; F158-K160 PolarHBondContact O-N 2.81Å
161	R	97.2	Very high	98.2	Very high	90 Å²	90	66.2 Å²	66.2	34%	0.34	34%	0.344	S	S	.	.	S	Bend	trans	-90.5	137.5	-172.1	-69.5	-61.7	-59.1	-158.4	-9	113	V54 L157 F158 E163 F164 Q165	V54-R161 HydrophobicContact CG1-CG 4.13Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; F158-R161 HydrophobicContact CD2-CB 4.34Å; F158-R161 HydrophobicContact CD2-CG 4.41Å; F158-R161 WeakPolarHBondContact O-CB 3.36Å; F158-R161 PolarHBondContact O-N 3.25Å; R161-E163 WeakPolarHBondContact CB-OE2 3.02Å; R161-E163 IonicContact CZ-OE1 3.75Å; R161-E163 IonicContact CZ-OE2 2.92Å; R161-E163 IonicContact NE-OE1 3.74Å; R161-E163 IonicContact NE-OE2 3.42Å; R161-E163 PolarHBondContact NE-OE2 3.05Å; R161-E163 IonicContact NH2-OE1 3.97Å; R161-E163 PolarHBondContact NH2-OE1 3.07Å; R161-E163 IonicContact NH2-OE2 3.03Å; R161-E163 PolarHBondContact O-N 3.25Å; R161-F164 WeakPolarHBondContact O-CB 3.31Å; R161-F164 PolarHBondContact O-N 3.35Å; R161-Q165 PolarHBondContact O-N 2.9Å; R161-Q165 PolarHBondContact O-OE1 3.3Å
162	P	98.4	Very high	98.3	Very high	94 Å²	94	69.3 Å²	69.3	61%	0.61	36%	0.361	S	S	*	.	H	α-helix	trans	-51.4	-31.3	176.9	4.6	-11.6	0	0	0	114.2	Q165 A166	P162-Q165 PolarHBondContact O-N 3.14Å; P162-A166 WeakPolarHBondContact O-CB 3.36Å; P162-A166 PolarHBondContact O-N 3.21Å
163	E	98.5	Very high	98.3	Very high	45 Å²	45	67.5 Å²	67.5	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-38.2	175.3	-56.7	91.2	141.8	0	0	113	I52 F158 R161 L167	I52-E163 HydrophobicContact CD1-CB 3.66Å; I52-E163 HydrophobicContact CD1-CG 4.2Å; I52-E163 HydrophobicContact CG1-CB 4.32Å; I52-E163 HydrophobicContact CG1-CG 4.33Å; I52-E163 HydrophobicContact CG2-CB 4.38Å; I52-E163 HydrophobicContact CG2-CG 4.22Å; F158-E163 HydrophobicContact CE2-CB 4.45Å; R161-E163 WeakPolarHBondContact CB-OE2 3.02Å; R161-E163 IonicContact CZ-OE1 3.75Å; R161-E163 IonicContact CZ-OE2 2.92Å; R161-E163 IonicContact NE-OE1 3.74Å; R161-E163 IonicContact NE-OE2 3.42Å; R161-E163 PolarHBondContact NE-OE2 3.05Å; R161-E163 IonicContact NH2-OE1 3.97Å; R161-E163 PolarHBondContact NH2-OE1 3.07Å; R161-E163 IonicContact NH2-OE2 3.03Å; R161-E163 PolarHBondContact O-N 3.25Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å
164	F	98.6	Very high	98.3	Very high	39 Å²	39	65.8 Å²	65.8	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-69.3	-42.7	174.5	178	-95.2	0	0	0	111.3	F158 V159 R161 A166 L167	F158-F164 HydrophobicContact CD1-CB 4.49Å; F158-F164 AromaticContact CD1-CD2 3.79Å; F158-F164 HydrophobicContact CD1-CD2 3.79Å; F158-F164 HydrophobicContact CD2-CB 4.27Å; F158-F164 HydrophobicContact CE1-CB 4.28Å; F158-F164 AromaticContact CE1-CD2 3.56Å; F158-F164 HydrophobicContact CE1-CD2 3.56Å; F158-F164 HydrophobicContact CE1-CE2 4.42Å; F158-F164 HydrophobicContact CE1-CG 4.4Å; F158-F164 HydrophobicContact CE2-CB 3.99Å; F158-F164 HydrophobicContact CG-CB 4.5Å; F158-F164 HydrophobicContact CZ-CB 4.01Å; F158-F164 HydrophobicContact CZ-CD2 4.07Å; F158-F164 WeakPolarHBondContact O-CB 3.46Å; V159-F164 HydrophobicContact CB-CD1 4.26Å; V159-F164 HydrophobicContact CB-CE1 4.15Å; V159-F164 HydrophobicContact CB-CZ 4.4Å; V159-F164 HydrophobicContact CG1-CD2 4.41Å; V159-F164 HydrophobicContact CG1-CE1 4.16Å; V159-F164 HydrophobicContact CG1-CE2 4.03Å; V159-F164 HydrophobicContact CG1-CZ 3.9Å; R161-F164 WeakPolarHBondContact O-CB 3.31Å; R161-F164 PolarHBondContact O-N 3.35Å; F164-A166 PolarHBondContact O-N 3.08Å; F164-L167 HydrophobicContact CD2-CD1 4.26Å; F164-L167 VanDerWaalsContact O-CB 3.23Å; F164-L167 WeakPolarHBondContact O-CB 3.22Å; F164-L167 WeakPolarHBondContact O-CG 3.42Å; F164-L167 PolarHBondContact O-N 3.37Å
165	Q	98.2	Very high	98.2	Very high	104 Å²	104	68.7 Å²	68.7	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-34.9	179.4	-84.9	60.6	3.8	0	0	110.2	V159 R161 P162 L167 R168	V159-Q165 PolarHBondContact O-NE2 3.03Å; V159-Q165 PolarHBondContact O-OE1 3.4Å; R161-Q165 PolarHBondContact O-N 2.9Å; R161-Q165 PolarHBondContact O-OE1 3.3Å; P162-Q165 PolarHBondContact O-N 3.14Å; Q165-L167 VanDerWaalsContact C-N 3.25Å; Q165-L167 PolarHBondContact O-N 3.44Å; Q165-R168 PolarHBondContact O-N 2.92Å; Q165-R168 VanDerWaalsContact O-N 3.15Å
166	A	98.4	Very high	98	Very high	75 Å²	75	67.7 Å²	67.7	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-66	-22.4	174	0	0	0	0	0	113.8	P162 F164 R168	P162-A166 WeakPolarHBondContact O-CB 3.36Å; P162-A166 PolarHBondContact O-N 3.21Å; F164-A166 PolarHBondContact O-N 3.08Å; A166-R168 PolarHBondContact O-N 3.37Å
167	L	98.5	Very high	97.8	Very high	11 Å²	11	69.7 Å²	69.7	6%	0.058	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.4	173.6	-54	-177.8	0	0	0	112.2	V62 S74 L76 H140 T142 F158 E163 F164 Q165 A169	V62-L167 HydrophobicContact CG1-CD1 4.47Å; V62-L167 HydrophobicContact CG1-CD2 4.16Å; S74-L167 WeakPolarHBondContact CB-O 3.27Å; S74-L167 PolarHBondContact OG-O 2.81Å; L76-L167 HydrophobicContact CD2-CD1 4.04Å; H140-L167 PolarHBondContact NE2-O 2.84Å; T142-L167 HydrophobicContact CG2-CD1 4.25Å; F158-L167 HydrophobicContact CE1-CD1 4.37Å; F158-L167 HydrophobicContact CZ-CD1 4.12Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å; F164-L167 HydrophobicContact CD2-CD1 4.26Å; F164-L167 VanDerWaalsContact O-CB 3.23Å; F164-L167 WeakPolarHBondContact O-CB 3.22Å; F164-L167 WeakPolarHBondContact O-CG 3.42Å; F164-L167 PolarHBondContact O-N 3.37Å; Q165-L167 VanDerWaalsContact C-N 3.25Å; Q165-L167 PolarHBondContact O-N 3.44Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 2.96Å
168	R	98.4	Very high	97.6	Very high	130 Å²	130	69.8 Å²	69.8	49%	0.491	39%	0.388	S	S	.	.			trans	50.9	49.3	-179.4	-59.5	179.7	62.1	-167.9	-6.9	112.2	P70 S71 P73 S74 Q165 A166 G170	P70-R168 PolarHBondContact O-NH1 2.94Å; S71-R168 PolarHBondContact O-NH2 3.3Å; P73-R168 CarbonylContact C-O 3.59Å; P73-R168 WeakPolarHBondContact CA-O 3.14Å; P73-R168 WeakPolarHBondContact CB-O 3.29Å; S74-R168 PolarHBondContact N-O 3.44Å; S74-R168 PolarHBondContact OG-O 2.85Å; Q165-R168 PolarHBondContact O-N 2.92Å; Q165-R168 VanDerWaalsContact O-N 3.15Å; A166-R168 PolarHBondContact O-N 3.37Å; R168-G170 PolarHBondContact O-N 3.18Å
169	A	98.2	Very high	97.6	Very high	41 Å²	41	72.4 Å²	72.4	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	122.3	-179.4	0	0	0	0	0	112.1	L76 L167	L76-A169 HydrophobicContact CD1-CB 3.15Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 2.96Å
170	G	98.2	Very high	97.5	Very high	51 Å²	51	76 Å²	76	53%	0.526	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-29.4	172.9	0	0	0	0	0	113.8	S74 R168	S74-G170 WeakPolarHBondContact O-CA 3.46Å; S74-G170 PolarHBondContact O-N 3.03Å; R168-G170 PolarHBondContact O-N 3.18Å
171	F	98.3	Very high	97.5	Very high	115 Å²	115	74 Å²	74	50%	0.504	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	146.5	178.9	179.5	-108.5	0	0	0	109.3	S74 I75 L76 L173	S74-F171 PolarHBondContact O-N 3.41Å; I75-F171 HydrophobicContact CD1-CB 3.94Å; I75-F171 HydrophobicContact CD1-CD1 4.44Å; I75-F171 HydrophobicContact CG2-CD1 4.46Å; L76-F171 PolarHBondContact N-O 3.33Å; F171-L173 HydrophobicContact CD1-CG 4.44Å; F171-L173 HydrophobicContact CE1-CD1 4.37Å; F171-L173 HydrophobicContact CE1-CD2 3.48Å; F171-L173 VanDerWaalsContact CE1-CD2 3.48Å; F171-L173 HydrophobicContact CE1-CG 3.62Å; F171-L173 HydrophobicContact CZ-CD2 3.62Å; F171-L173 HydrophobicContact CZ-CG 4.26Å
172	V	98.2	Very high	97.5	Very high	71 Å²	71	77.8 Å²	77.8	43%	0.43	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.6	-176.8	-170.7	0	0	0	0	109	L76 N78	L76-V172 HydrophobicContact CB-CB 4.32Å; L76-V172 HydrophobicContact CB-CG1 4.04Å; L76-V172 HydrophobicContact CB-CG2 4.05Å; L76-V172 CarbonylContact O-C 3.56Å; L76-V172 WeakPolarHBondContact O-CA 3.21Å; N78-V172 HydrophobicContact CB-CG1 4.09Å
173	L	98.7	Very high	97.5	Very high	75 Å²	75	75.8 Å²	75.8	39%	0.393	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144	161.7	-67.3	177.5	0	0	0	109.1	L76 L77 N78 Y121 F171	L76-L173 PolarHBondContact O-N 2.83Å; L77-L173 HydrophobicContact CD2-CB 4.14Å; L77-L173 HydrophobicContact CD2-CD1 3.86Å; L77-L173 HydrophobicContact CD2-CG 4.36Å; N78-L173 PolarHBondContact N-O 2.78Å; Y121-L173 WeakPolarHBondContact OH-CB 3.39Å; F171-L173 HydrophobicContact CD1-CG 4.44Å; F171-L173 HydrophobicContact CE1-CD1 4.37Å; F171-L173 HydrophobicContact CE1-CD2 3.48Å; F171-L173 VanDerWaalsContact CE1-CD2 3.48Å; F171-L173 HydrophobicContact CE1-CG 3.62Å; F171-L173 HydrophobicContact CZ-CD2 3.62Å; F171-L173 HydrophobicContact CZ-CG 4.26Å
174	D	98.5	Very high	97.5	Very high	70 Å²	70	83 Å²	83	37%	0.374	47%	0.474	S	S	.	.			trans	-141.1	-168.6	176.1	-142.8	-41.2	0	0	0	109.2	N78	N78-D174 WeakPolarHBondContact CB-OD2 3.34Å; N78-D174 PolarHBondContact ND2-OD2 3.21Å
175	E	95.8	Very high	97.4	Very high	61 Å²	61	83.7 Å²	83.7	29%	0.285	48%	0.482	S	S	.	.			trans	-57.2	158.2	175.1	66.7	-179.8	128.4	0	0	114.2	H80 M114	H80-E175 IonicContact CD2-OE1 2.79Å; H80-E175 IonicContact NE2-OE1 2.82Å; M114-E175 HydrophobicContact CB-CB 4.11Å; M114-E175 HydrophobicContact CE-CB 3.6Å; M114-E175 VanDerWaalsContact CE-N 3.34Å; M114-E175 HydrophobicContact SD-CB 3.79Å; M114-E175 HydrophobicContact SD-CG 4.33Å
176	G	94.9	Very high	97.3	Very high	29 Å²	29	84.4 Å²	84.4	30%	0.299	49%	0.493	S	S	.	.			trans	-120.1	-131.9	167.6	0	0	0	0	0	109.1
177	L	93.4	Very high	97.1	Very high	123 Å²	123	87.3 Å²	87.3	64%	0.644	49%	0.492	S	S	*	.			trans	-148.3	147	173.5	-170.5	66.3	0	0	0	109.5	T185 F187	L177-T185 HydrophobicContact CB-CG2 4.42Å; L177-F187 HydrophobicContact CB-CE2 4.45Å; L177-F187 HydrophobicContact CB-CZ 3.85Å
178	A	94.6	Very high	96.8	Very high	54 Å²	54	95.3 Å²	95.3	45%	0.446	52%	0.523	S	S	.	.			trans	-55.7	145	171.4	0	0	0	0	0	110.7
179	N	97.4	Very high	96.4	Very high	54 Å²	54	92.9 Å²	92.9	29%	0.289	53%	0.526	S	S	.	.			trans	-121.6	127	176.7	-164.9	-53	0	0	0	108.4	T181 A183 T185	N179-T181 PolarHBondContact O-N 3.46Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 2.81Å; N179-T181 PolarHBondContact OD1-OG1 3.27Å; N179-A183 WeakPolarHBondContact CB-O 3.34Å; N179-T185 PolarHBondContact ND2-OG1 2.87Å
180	P	97	Very high	95	Very high	132 Å²	132	96.5 Å²	96.5	86%	0.857	54%	0.536	S	S	*	.	S	Bend	trans	-79.7	-2.3	-179.1	33.2	-36.4	0	0	0	113.4
181	T	98.2	Very high	94.4	Very high	89 Å²	89	105.5 Å²	105.5	55%	0.546	55%	0.554	S	S	.	*	S	Bend	trans	-108.2	-179.6	178	75	0	0	0	0	110.6	N179 A183	N179-T181 PolarHBondContact O-N 3.46Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 2.81Å; N179-T181 PolarHBondContact OD1-OG1 3.27Å; T181-A183 PolarHBondContact O-N 3.23Å; T181-A183 PolarHBondContact OG1-N 2.79Å
182	D	98	Very high	93.3	Very high	170 Å²	170	104.7 Å²	104.7	91%	0.909	56%	0.562	S	S	*	*	S	Bend	trans	-70.3	-6.3	175.7	-59.5	-23.2	0	0	0	113.7
183	A	98.2	Very high	92.3	Very high	52 Å²	52	103.8 Å²	103.8	43%	0.43	56%	0.558	S	S	.	*	S	Bend	trans	-83.6	161.2	177.9	0	0	0	0	0	112.5	N179 T181	N179-A183 WeakPolarHBondContact CB-O 3.34Å; T181-A183 PolarHBondContact O-N 3.23Å; T181-A183 PolarHBondContact OG1-N 2.79Å
184	F	97.5	Very high	91.1	Very high	197 Å²	197	110.9 Å²	110.9	86%	0.864	58%	0.58	S	S	*	*			trans	-109	131.2	171	-66.4	-89	0	0	0	110.3
185	T	96.6	Very high	90.4	Very high	53 Å²	53	116.6 Å²	116.6	33%	0.325	60%	0.596	S	S	.	*			trans	-77.6	133.2	173.4	-55.5	0	0	0	0	109.5	L177 N179 F187	L177-T185 HydrophobicContact CB-CG2 4.42Å; N179-T185 PolarHBondContact ND2-OG1 2.87Å; T185-F187 HydrophobicContact CG2-CD1 4.34Å; T185-F187 HydrophobicContact CG2-CE1 3.87Å; T185-F187 HydrophobicContact CG2-CZ 4.46Å
186	V	97.1	Very high	89.5	Confident	120 Å²	120	119.4 Å²	119.4	73%	0.727	62%	0.617	S	S	*	*			trans	-131.6	128.1	172.4	59.9	0	0	0	0	109.1
187	F	93.1	Very high	88.8	Confident	136 Å²	136	126.5 Å²	126.5	60%	0.596	64%	0.642	S	S	*	*			trans	-84.2	119.3	171.5	-58.4	-39.3	0	0	0	109	L177 T185	L177-F187 HydrophobicContact CB-CE2 4.45Å; L177-F187 HydrophobicContact CB-CZ 3.85Å; T185-F187 HydrophobicContact CG2-CD1 4.34Å; T185-F187 HydrophobicContact CG2-CE1 3.87Å; T185-F187 HydrophobicContact CG2-CZ 4.46Å
188	Y	92.4	Very high	88.3	Confident	178 Å²	178	125.5 Å²	125.5	70%	0.698	64%	0.641	S	S	*	*			trans	-104.7	134.1	-178.1	-175.5	-94.7	0	0	0	110.4	E190	Y188-E190 HydrophobicContact CE1-CB 3.87Å; Y188-E190 HydrophobicContact CE1-CG 3.83Å; Y188-E190 PolarHBondContact OH-OE2 3.44Å; Y188-E190 VanDerWaalsContact OH-OE2 3.12Å
189	S	89.8	Confident	87.9	Confident	80 Å²	80	128.1 Å²	128.1	56%	0.559	65%	0.652	S	S	*	*			trans	-138.4	137.7	171.3	-168.5	0	0	0	0	109.7
190	E	70.3	Confident	87.4	Confident	117 Å²	117	127 Å²	127	55%	0.547	65%	0.648	S	S	.	*			trans	-134.9	161.8	171.7	63.9	167.5	-137.7	0	0	109.9	Y188 S192	Y188-E190 HydrophobicContact CE1-CB 3.87Å; Y188-E190 HydrophobicContact CE1-CG 3.83Å; Y188-E190 PolarHBondContact OH-OE2 3.44Å; Y188-E190 VanDerWaalsContact OH-OE2 3.12Å; E190-S192 PolarHBondContact O-N 3.17Å; E190-S192 VanDerWaalsContact O-N 3.12Å
191	R	84.2	Confident	87	Confident	239 Å²	239	125.9 Å²	125.9	90%	0.902	64%	0.639	S	S	*	*	S	Bend	trans	58.5	-110.7	-179	-54.9	168.1	58.9	114.3	1.8	111.9
192	S	75.6	Confident	86.6	Confident	98 Å²	98	123.2 Å²	123.2	69%	0.685	63%	0.629	S	S	*	*	S	Bend	trans	-113.1	138.7	175.5	-62.3	0	0	0	0	108.1	E190	E190-S192 PolarHBondContact O-N 3.17Å; E190-S192 VanDerWaalsContact O-N 3.12Å
193	P	76.5	Confident	86.1	Confident	52 Å²	52	120.8 Å²	120.8	34%	0.338	61%	0.61	S	S	.	*			trans	-59.9	149	174.4	25.4	-32.7	0	0	0	110.9	W195	P193-W195 VanDerWaalsContact C-N 3.34Å; P193-W195 HydrophobicContact CB-CD2 3.7Å; P193-W195 HydrophobicContact CB-CE3 3.4Å; P193-W195 VanDerWaalsContact CB-CE3 3.4Å; P193-W195 HydrophobicContact CB-CH2 3.27Å; P193-W195 HydrophobicContact CB-CZ2 3.58Å; P193-W195 HydrophobicContact CB-CZ3 3.18Å; P193-W195 HydrophobicContact CG-CD2 4.04Å; P193-W195 HydrophobicContact CG-CE3 4.15Å; P193-W195 HydrophobicContact CG-CH2 3.33Å; P193-W195 HydrophobicContact CG-CZ2 3.18Å; P193-W195 HydrophobicContact CG-CZ3 3.82Å; P193-W195 PolarHBondContact O-N 3.03Å
194	W	74.2	Confident	85.2	Confident	225 Å²	225	124.6 Å²	124.6	85%	0.852	63%	0.631	S	S	*	*			trans	-80.4	-11.8	-169.1	65.7	-95	0	0	0	114.3	V196	W194-V196 PolarHBondContact O-N 3.16Å
195	W	83.3	Confident	84.2	Confident	190 Å²	190	117.5 Å²	117.5	72%	0.72	61%	0.614	S	S	*	*			trans	-62.8	135.5	-173.3	59.1	72.6	0	0	0	111.6	P193	P193-W195 VanDerWaalsContact C-N 3.34Å; P193-W195 HydrophobicContact CB-CD2 3.7Å; P193-W195 HydrophobicContact CB-CE3 3.4Å; P193-W195 VanDerWaalsContact CB-CE3 3.4Å; P193-W195 HydrophobicContact CB-CH2 3.27Å; P193-W195 HydrophobicContact CB-CZ2 3.58Å; P193-W195 HydrophobicContact CB-CZ3 3.18Å; P193-W195 HydrophobicContact CG-CD2 4.04Å; P193-W195 HydrophobicContact CG-CE3 4.15Å; P193-W195 HydrophobicContact CG-CH2 3.33Å; P193-W195 HydrophobicContact CG-CZ2 3.18Å; P193-W195 HydrophobicContact CG-CZ3 3.82Å; P193-W195 PolarHBondContact O-N 3.03Å
196	V	76.9	Confident	83.3	Confident	119 Å²	119	121.3 Å²	121.3	72%	0.721	63%	0.627	S	S	*	*			trans	-126	137.8	174.4	-68.4	0	0	0	0	109.1	W194 V198	W194-V196 PolarHBondContact O-N 3.16Å; V196-V198 HydrophobicContact CG2-CG2 4.25Å
197	Q	79.9	Confident	82	Confident	178 Å²	178	120.8 Å²	120.8	83%	0.832	64%	0.636	S	S	*	*			trans	-91.5	112.7	171.7	-173.7	175.3	-17.8	0	0	108.7
198	V	83.3	Confident	81.3	Confident	102 Å²	102	118.8 Å²	118.8	62%	0.618	64%	0.639	S	S	*	*			trans	-100.1	113.1	174.4	-176	0	0	0	0	108.5	V196 L219	V196-V198 HydrophobicContact CG2-CG2 4.25Å; V198-L219 HydrophobicContact CB-CD2 4.49Å; V198-L219 HydrophobicContact CG1-CD2 3.83Å
199	T	87.3	Confident	80.4	Confident	109 Å²	109	119.1 Å²	119.1	67%	0.669	64%	0.639	S	S	*	*			trans	-102.7	113.7	173.8	-58.2	0	0	0	0	108.9	T201	T199-T201 HydrophobicContact CG2-CG2 4.48Å
200	S	86.9	Confident	79.7	Confident	30 Å²	30	125.8 Å²	125.8	21%	0.21	66%	0.658	C	S	.	*			trans	-106.4	132.6	171.5	175.7	0	0	0	0	110.3	A215 K218	S200-A215 WeakPolarHBondContact CB-O 3.49Å; S200-A215 WeakPolarHBondContact OG-CA 3.5Å; S200-A215 PolarHBondContact OG-O 2.62Å; S200-K218 WeakPolarHBondContact OG-CB 2.8Å
201	T	88.6	Confident	80.2	Confident	109 Å²	109	122.9 Å²	122.9	67%	0.669	65%	0.646	S	S	*	*			trans	-117.5	136.2	176.2	57.2	0	0	0	0	110.2	T199 K218	T199-T201 HydrophobicContact CG2-CG2 4.48Å; T201-K218 PolarHBondContact O-NZ 3.16Å
202	G	89.4	Confident	80.3	Confident	33 Å²	33	119 Å²	119	34%	0.34	64%	0.638	S	S	.	*			trans	-159.7	-179.8	178.7	0	0	0	0	0	112.5	D213	G202-D213 CarbonylContact C-O 3.57Å; G202-D213 WeakPolarHBondContact CA-O 3.49Å
203	K	86.2	Confident	80.8	Confident	119 Å²	119	117.7 Å²	117.7	52%	0.517	62%	0.623	S	S	.	*			trans	-70.8	134.8	-177	-65.8	173.2	-171.6	164	0	110.9	I211 D213	K203-I211 HydrophobicContact CB-CG2 4.35Å; K203-D213 HydrophobicContact CD-CB 4.37Å; K203-D213 PolarHBondContact N-O 2.86Å
204	P	79.8	Confident	81.3	Confident	132 Å²	132	116.9 Å²	116.9	86%	0.857	62%	0.617	S	S	*	*			trans	-69.9	142.5	170.6	29.5	-33.2	0	0	0	110.1
205	G	76.9	Confident	81.8	Confident	49 Å²	49	107.9 Å²	107.9	51%	0.505	59%	0.591	S	S	.	*			trans	-159.1	148.7	-172.1	0	0	0	0	0	114.6
206	H	76.6	Confident	81.7	Confident	132 Å²	132	102.4 Å²	102.4	61%	0.611	59%	0.586	S	S	*	*			trans	-73.2	125.4	173.7	-169.8	-78.5	0	0	0	109.5	S208 R209	H206-S208 PolarHBondContact CE1-OG 3.4Å; H206-S208 PolarHBondContact ND1-N 3.32Å; H206-S208 PolarHBondContact ND1-OG 3.44Å; H206-S208 PolarHBondContact O-N 3.3Å; H206-R209 PolarHBondContact O-N 2.78Å
207	A	70.9	Confident	81.9	Confident	110 Å²	110	102.5 Å²	102.5	91%	0.909	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-19.7	-170.5	0	0	0	0	0	115.2	R209	A207-R209 VanDerWaalsContact C-N 3.29Å
208	S	77.9	Confident	81.9	Confident	93 Å²	93	98.7 Å²	98.7	65%	0.65	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	0.3	174.2	72.6	0	0	0	0	114.9	H206	H206-S208 PolarHBondContact CE1-OG 3.4Å; H206-S208 PolarHBondContact ND1-N 3.32Å; H206-S208 PolarHBondContact ND1-OG 3.44Å; H206-S208 PolarHBondContact O-N 3.3Å
209	R	74.4	Confident	81.4	Confident	185 Å²	185	101.3 Å²	101.3	70%	0.698	57%	0.569	S	S	*	*	S	Bend	trans	-112.8	135.9	175.9	-64.8	-168.9	177.4	-167.9	0.3	109.8	H206 A207 I211	H206-R209 PolarHBondContact O-N 2.78Å; A207-R209 VanDerWaalsContact C-N 3.29Å; R209-I211 VanDerWaalsContact C-N 3.26Å; R209-I211 HydrophobicContact CB-CD1 4.09Å; R209-I211 HydrophobicContact CB-CG1 4Å; R209-I211 PolarHBondContact O-N 3.34Å
210	F	74.2	Confident	81.1	Confident	220 Å²	220	101 Å²	101	97%	0.965	56%	0.564	S	S	*	*			trans	-75.4	79.7	171.8	-63	-78.2	0	0	0	109.6
211	I	81.4	Confident	80.8	Confident	57 Å²	57	104.7 Å²	104.7	29%	0.292	58%	0.583	S	S	.	*			trans	-90.3	121.5	175.6	-65.7	166.3	0	0	0	107.1	K203 R209 T214	K203-I211 HydrophobicContact CB-CG2 4.35Å; R209-I211 VanDerWaalsContact C-N 3.26Å; R209-I211 HydrophobicContact CB-CD1 4.09Å; R209-I211 HydrophobicContact CB-CG1 4Å; R209-I211 PolarHBondContact O-N 3.34Å; I211-T214 HydrophobicContact CB-CG2 4.23Å; I211-T214 HydrophobicContact CG2-CG2 4.09Å; I211-T214 VanDerWaalsContact O-CG2 3.22Å; I211-T214 WeakPolarHBondContact O-CG2 3.4Å
212	E	84.9	Confident	80.3	Confident	157 Å²	157	104.4 Å²	104.4	73%	0.734	58%	0.578	S	S	*	*	S	Bend	trans	-75.2	158.2	174	-61.8	177.1	174.3	0	0	110.8
213	D	86.3	Confident	79.8	Confident	70 Å²	70	108.6 Å²	108.6	37%	0.374	59%	0.592	S	S	.	*	S	Bend	trans	70.3	31.1	174.6	-164.8	55.5	0	0	0	113	G202 K203 E217 K218	G202-D213 CarbonylContact C-O 3.57Å; G202-D213 WeakPolarHBondContact CA-O 3.49Å; K203-D213 HydrophobicContact CD-CB 4.37Å; K203-D213 PolarHBondContact N-O 2.86Å; D213-E217 PolarHBondContact N-OE2 2.91Å; D213-K218 VanDerWaalsContact CG-NZ 3.26Å; D213-K218 WeakPolarHBondContact OD1-CE 3.07Å; D213-K218 IonicContact OD1-NZ 2.69Å; D213-K218 PolarHBondContact OD1-NZ 2.92Å; D213-K218 IonicContact OD2-NZ 3.09Å
214	T	87.6	Confident	79.4	Confident	35 Å²	35	108 Å²	108	22%	0.215	60%	0.597	C	S	.	*			trans	-78.1	155.7	176.8	64.3	0	0	0	0	111.3	I211 A216 E217 K218	I211-T214 HydrophobicContact CB-CG2 4.23Å; I211-T214 HydrophobicContact CG2-CG2 4.09Å; I211-T214 VanDerWaalsContact O-CG2 3.22Å; I211-T214 WeakPolarHBondContact O-CG2 3.4Å; T214-A216 PolarHBondContact O-N 2.85Å; T214-E217 PolarHBondContact O-N 2.97Å; T214-E217 WeakPolarHBondContact OG1-CB 3.33Å; T214-E217 PolarHBondContact OG1-N 2.88Å; T214-K218 WeakPolarHBondContact O-CG 3.22Å
215	A	85.3	Confident	79.4	Confident	36 Å²	36	106.4 Å²	106.4	30%	0.298	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	-35.4	177.1	0	0	0	0	0	111.7	S200 K218	S200-A215 WeakPolarHBondContact CB-O 3.49Å; S200-A215 WeakPolarHBondContact OG-CA 3.5Å; S200-A215 PolarHBondContact OG-O 2.62Å; A215-K218 PolarHBondContact O-N 2.77Å
216	A	80.4	Confident	79.5	Confident	75 Å²	75	110.5 Å²	110.5	62%	0.62	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-32.9	179.5	0	0	0	0	0	113.4	T214 K218	T214-A216 PolarHBondContact O-N 2.85Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 3.35Å
217	E	81.7	Confident	79.8	Confident	122 Å²	122	108.8 Å²	108.8	57%	0.57	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-26.1	176.9	-179.1	-177.2	-171.4	0	0	112.9	D213 T214	D213-E217 PolarHBondContact N-OE2 2.91Å; T214-E217 PolarHBondContact O-N 2.97Å; T214-E217 WeakPolarHBondContact OG1-CB 3.33Å; T214-E217 PolarHBondContact OG1-N 2.88Å
218	K	79.8	Confident	80.5	Confident	97 Å²	97	108.8 Å²	108.8	42%	0.422	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.3	-0.3	-174.6	-60.9	172.2	-170	-177.3	0	113.8	S200 T201 D213 T214 A215 A216	S200-K218 WeakPolarHBondContact OG-CB 2.8Å; T201-K218 PolarHBondContact O-NZ 3.16Å; D213-K218 VanDerWaalsContact CG-NZ 3.26Å; D213-K218 WeakPolarHBondContact OD1-CE 3.07Å; D213-K218 IonicContact OD1-NZ 2.69Å; D213-K218 PolarHBondContact OD1-NZ 2.92Å; D213-K218 IonicContact OD2-NZ 3.09Å; T214-K218 WeakPolarHBondContact O-CG 3.22Å; A215-K218 PolarHBondContact O-N 2.77Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 3.35Å
219	L	71.8	Confident	80.7	Confident	158 Å²	158	110.2 Å²	110.2	83%	0.827	55%	0.547	S	S	*	.			trans	-92.6	0	173.4	-75.8	169.3	0	0	0	109.5	V198	V198-L219 HydrophobicContact CB-CD2 4.49Å; V198-L219 HydrophobicContact CG1-CD2 3.83Å

Retrieved 219 of 219 residues in 111.4 ms (Link to these results)

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