A0A096NKG8_PAPAN Loading...

JNK pathway associated phosphatase

Dual specificity phosphatase; can dephosphorylate both phosphotyrosine and phosphoserine or phosphothreonine residues. Activates the JNK signaling pathway. Inhibits T-cell receptor signaling and T-cell mediated immune responses, acting, at least in part, by inducing degradation of E3 ubiquitin ligase UBR2. Dephosphorylates and thereby induces 'Lys-48'-linked ubiquitination of UBR2, leading to proteasomal degradation of UBR2. Dephosphorylates and thereby inactivates tyrosine kinase LCK. Inhibits UBR2-mediated 'Lys-63'-linked ubiquitination of LCK. May play a role in B-cell receptor (BCR) signaling and B-cell function.

AlphaFold DB , UniProt , Accession A0A096NKG8, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP22, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.6	Low	90.9	Very high	136 Å²	136	50.6 Å²	50.6	67%	0.67	29%	0.288	S	S	*	.				0	40.3	0	-62.6	-177.9	179.1	0	0	111.2	N16 A90 R122	M1-N16 HydrophobicContact CB-CB 4.3Å; M1-N16 PolarHBondContact O-ND2 3.26Å; M1-A90 HydrophobicContact CB-CB 4.49Å; M1-A90 HydrophobicContact CG-CB 4.06Å; M1-R122 PolarHBondContact O-NH2 3.49Å
2	G	70.3	Confident	91.6	Very high	38 Å²	38	46.4 Å²	46.4	39%	0.392	26%	0.264	S	S	.	.			trans	72.9	-175.7	-169.7	0	0	0	0	0	113.8
3	N	83.1	Confident	92.1	Very high	144 Å²	144	44.8 Å²	44.8	77%	0.77	25%	0.251	S	S	*	.	S	Bend	trans	-126.3	29.3	-176.4	61.1	-15.9	0	0	0	112.7	N6	N3-N6 PolarHBondContact OD1-ND2 3.28Å
4	G	94.5	Very high	92.6	Very high	9 Å²	9	41.6 Å²	41.6	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	128.8	178.5	-169.7	0	0	0	0	0	111.1	N6 D19 R122	G4-N6 PolarHBondContact O-OD1 2.88Å; G4-D19 VanDerWaalsContact C-CG 3.47Å; G4-D19 VanDerWaalsContact C-OD2 3.27Å; G4-D19 WeakPolarHBondContact CA-OD1 3.37Å; G4-R122 PolarHBondContact O-NH1 2.85Å
5	M	97.8	Very high	93	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.069	22%	0.218	C	C	.	.			trans	-73.3	139.4	165.4	71.3	-178	66.3	0	0	110	Y13 I14 D19 Q25 L26 N29 V31 L85	M5-Y13 HydrophobicContact CG-CD1 4.34Å; M5-Y13 HydrophobicContact SD-CD1 4.47Å; M5-I14 CarbonylContact C-O 3.31Å; M5-I14 VanDerWaalsContact CA-O 3.3Å; M5-I14 WeakPolarHBondContact CA-O 3.07Å; M5-D19 HydrophobicContact CB-CB 4.16Å; M5-D19 HydrophobicContact CE-CB 4.29Å; M5-D19 WeakPolarHBondContact CE-O 3.47Å; M5-D19 PolarHBondContact N-OD2 2.95Å; M5-Q25 HydrophobicContact CE-CB 3.58Å; M5-Q25 HydrophobicContact SD-CB 4.34Å; M5-L26 HydrophobicContact CE-CD2 3.91Å; M5-L26 HydrophobicContact CE-CG 4.3Å; M5-N29 HydrophobicContact SD-CB 4.11Å; M5-N29 PolarHBondContact SD-ND2 2.87Å; M5-N29 VanDerWaalsContact SD-ND2 3.35Å; M5-V31 HydrophobicContact SD-CG2 4.03Å; M5-L85 HydrophobicContact CB-CD1 3.94Å; M5-L85 HydrophobicContact CE-CD1 4.4Å; M5-L85 HydrophobicContact CE-CD2 3.83Å; M5-L85 HydrophobicContact SD-CD1 4.29Å
6	N	98.5	Very high	93.3	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.3	-179.6	-52.8	105.7	0	0	0	110.6	N3 G4 Y13 I14 G121 R122	N3-N6 PolarHBondContact OD1-ND2 3.28Å; G4-N6 PolarHBondContact O-OD1 2.88Å; N6-Y13 VanDerWaalsContact O-CA 3.26Å; N6-Y13 WeakPolarHBondContact O-CA 3.16Å; N6-I14 PolarHBondContact N-O 3.42Å; N6-I14 PolarHBondContact O-N 2.92Å; N6-G121 WeakPolarHBondContact CB-O 3.39Å; N6-R122 HydrophobicContact CB-CB 4.12Å; N6-R122 WeakPolarHBondContact OD1-CG 3.12Å; N6-R122 PolarHBondContact OD1-NH1 3.49Å
7	K	98.3	Very high	93.5	Very high	113 Å²	113	40.1 Å²	40.1	49%	0.491	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.1	171.7	-171.7	-177.3	176.1	-172.3	0	109.2	L9 Y13	K7-L9 WeakPolarHBondContact CE-O 3.35Å; K7-L9 WeakPolarHBondContact CG-O 3.41Å; K7-Y13 VanDerWaalsContact CA-CD1 3.48Å; K7-Y13 HydrophobicContact CB-CD1 3.91Å; K7-Y13 HydrophobicContact CB-CE1 3.55Å; K7-Y13 HydrophobicContact CG-CE1 3.98Å
8	I	98.3	Very high	93.7	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-48.9	174.8	-54	-52.4	0	0	0	110.1	L12 I14 V99 I103 V118 R122 I168	I8-L12 PolarHBondContact N-O 3.47Å; I8-I14 HydrophobicContact CD1-CB 4.48Å; I8-I14 HydrophobicContact CD1-CD1 4.14Å; I8-I14 HydrophobicContact CD1-CG1 4.32Å; I8-I14 HydrophobicContact CG1-CB 4.34Å; I8-I14 HydrophobicContact CG1-CD1 3.88Å; I8-I14 HydrophobicContact CG1-CG1 3.8Å; I8-V99 HydrophobicContact CG2-CG1 4.2Å; I8-I103 HydrophobicContact CG2-CD1 3.86Å; I8-V118 HydrophobicContact CD1-CG1 4.13Å; I8-V118 HydrophobicContact CG2-CG2 4.08Å; I8-R122 HydrophobicContact CD1-CB 4.08Å; I8-I168 WeakPolarHBondContact O-CD1 3.42Å
9	L	98.2	Very high	93.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	167.6	173.6	-74.5	175.8	0	0	0	108.8	K7 G11 L12 I103 E164 I168	K7-L9 WeakPolarHBondContact CE-O 3.35Å; K7-L9 WeakPolarHBondContact CG-O 3.41Å; L9-G11 PolarHBondContact O-N 3.17Å; L9-L12 HydrophobicContact CB-CB 4.26Å; L9-L12 PolarHBondContact N-O 2.97Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-I103 HydrophobicContact CD1-CG1 4.1Å; L9-E164 HydrophobicContact CD2-CB 3.92Å; L9-I168 HydrophobicContact CD2-CD1 4.07Å
10	P	98.2	Very high	94.1	Very high	47 Å²	47	41.7 Å²	41.7	31%	0.305	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	124.2	169.7	-27.5	36.2	0	0	0	111.5	L12 R78 E164	P10-L12 VanDerWaalsContact C-N 3.29Å; P10-L12 PolarHBondContact O-N 3.29Å; P10-R78 VanDerWaalsContact O-CZ 3.3Å; P10-R78 PolarHBondContact O-NE 3.22Å; P10-R78 PolarHBondContact O-NH2 2.67Å; P10-E164 HydrophobicContact CG-CG 4.35Å
11	G	98.4	Very high	94.1	Very high	16 Å²	16	46.5 Å²	46.5	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	10.9	-178.7	0	0	0	0	0	115.9	L9 S83 C84	L9-G11 PolarHBondContact O-N 3.17Å; G11-S83 CarbonylContact O-C 3.56Å; G11-S83 WeakPolarHBondContact O-CA 3.49Å; G11-C84 PolarHBondContact O-N 3.04Å
12	L	98.9	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125	-178.9	-176.1	57.2	0	0	0	112.2	I8 L9 P10 I74 C84 V86 V99 Y102	I8-L12 PolarHBondContact N-O 3.47Å; L9-L12 HydrophobicContact CB-CB 4.26Å; L9-L12 PolarHBondContact N-O 2.97Å; L9-L12 PolarHBondContact O-N 3.25Å; P10-L12 VanDerWaalsContact C-N 3.29Å; P10-L12 PolarHBondContact O-N 3.29Å; L12-I74 HydrophobicContact CD1-CG2 3.73Å; L12-I74 HydrophobicContact CD2-CG2 4.24Å; L12-C84 HydrophobicContact CD1-CB 4.43Å; L12-V86 HydrophobicContact CD1-CG2 3.93Å; L12-V99 HydrophobicContact CD1-CG2 4.45Å; L12-V99 HydrophobicContact CD2-CG1 4Å; L12-Y102 HydrophobicContact CD2-CD1 3.61Å; L12-Y102 HydrophobicContact CD2-CE1 3.84Å
13	Y	98.9	Very high	96.9	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.1	-175.9	-61.7	-98.9	0	0	0	112	M5 N6 K7 N29 C84 V86	M5-Y13 HydrophobicContact CG-CD1 4.34Å; M5-Y13 HydrophobicContact SD-CD1 4.47Å; N6-Y13 VanDerWaalsContact O-CA 3.26Å; N6-Y13 WeakPolarHBondContact O-CA 3.16Å; K7-Y13 VanDerWaalsContact CA-CD1 3.48Å; K7-Y13 HydrophobicContact CB-CD1 3.91Å; K7-Y13 HydrophobicContact CB-CE1 3.55Å; K7-Y13 HydrophobicContact CG-CE1 3.98Å; Y13-N29 HydrophobicContact CE1-CB 3.98Å; Y13-N29 HydrophobicContact CE2-CB 4.29Å; Y13-C84 PolarHBondContact N-O 2.9Å; Y13-V86 PolarHBondContact O-N 3.03Å
14	I	98.9	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.4	167.2	-63.1	175.9	0	0	0	110.3	M5 N6 I8 V86 V96 V99 V118 R122	M5-I14 CarbonylContact C-O 3.31Å; M5-I14 VanDerWaalsContact CA-O 3.3Å; M5-I14 WeakPolarHBondContact CA-O 3.07Å; N6-I14 PolarHBondContact N-O 3.42Å; N6-I14 PolarHBondContact O-N 2.92Å; I8-I14 HydrophobicContact CD1-CB 4.48Å; I8-I14 HydrophobicContact CD1-CD1 4.14Å; I8-I14 HydrophobicContact CD1-CG1 4.32Å; I8-I14 HydrophobicContact CG1-CB 4.34Å; I8-I14 HydrophobicContact CG1-CD1 3.88Å; I8-I14 HydrophobicContact CG1-CG1 3.8Å; I14-V86 WeakPolarHBondContact CA-O 3.5Å; I14-V96 HydrophobicContact CD1-CG2 3.97Å; I14-V96 HydrophobicContact CG2-CG2 4.35Å; I14-V99 HydrophobicContact CD1-CB 3.83Å; I14-V99 HydrophobicContact CD1-CG1 3.94Å; I14-V99 HydrophobicContact CD1-CG2 3.82Å; I14-V99 HydrophobicContact CG1-CB 4.34Å; I14-V99 HydrophobicContact CG1-CG1 4.46Å; I14-V99 HydrophobicContact CG1-CG2 3.78Å; I14-V118 HydrophobicContact CD1-CG1 3.58Å; I14-R122 VanDerWaalsContact CG2-CD 3.47Å
15	G	98.4	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	176.1	176.4	0	0	0	0	0	113.9	D19 V86 H87 G91	G15-D19 WeakPolarHBondContact CA-OD2 3.22Å; G15-V86 PolarHBondContact N-O 3.26Å; G15-H87 WeakPolarHBondContact O-CA 3.41Å; G15-H87 WeakPolarHBondContact O-CB 3.48Å; G15-G91 WeakPolarHBondContact O-CA 3.29Å
16	N	98.1	Very high	97.7	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.07	23%	0.227	C	C	.	.			trans	-91.9	-179	168.3	69.2	47.6	0	0	0	110.9	M1 K18 D19 A20 C88 L89	M1-N16 HydrophobicContact CB-CB 4.3Å; M1-N16 PolarHBondContact O-ND2 3.26Å; N16-K18 VanDerWaalsContact C-N 3.29Å; N16-K18 PolarHBondContact O-N 3.44Å; N16-K18 WeakPolarHBondContact OD1-CA 3.45Å; N16-K18 VanDerWaalsContact OD1-CB 3.27Å; N16-K18 WeakPolarHBondContact OD1-CB 3.19Å; N16-K18 PolarHBondContact OD1-N 2.9Å; N16-D19 PolarHBondContact N-OD2 3Å; N16-D19 PolarHBondContact ND2-OD2 3.25Å; N16-D19 PolarHBondContact O-N 2.79Å; N16-D19 PolarHBondContact OD1-N 2.89Å; N16-D19 PolarHBondContact OD1-OD2 2.91Å; N16-A20 PolarHBondContact O-N 2.59Å; N16-C88 CarbonylContact C-O 3.59Å; N16-L89 WeakPolarHBondContact CB-O 3.41Å
17	F	96.8	Very high	97.7	Very high	87 Å²	87	48.5 Å²	48.5	38%	0.382	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.7	-177.7	87.8	-86.2	0	0	0	114.2	C88 L89	F17-C88 PolarHBondContact N-O 3.27Å; F17-C88 VanDerWaalsContact N-O 3.13Å; F17-L89 HydrophobicContact CB-CD1 4.35Å; F17-L89 HydrophobicContact CD1-CD1 3.87Å; F17-L89 HydrophobicContact CG-CD1 4.24Å; F17-L89 PolarHBondContact N-O 3.06Å; F17-L89 VanDerWaalsContact N-O 3.08Å
18	K	97.3	Very high	97.6	Very high	142 Å²	142	51.1 Å²	51.1	62%	0.617	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-44.4	178.1	-177.1	-174.4	173.6	-174.2	0	109.8	N16 A20 R21 D22	N16-K18 VanDerWaalsContact C-N 3.29Å; N16-K18 PolarHBondContact O-N 3.44Å; N16-K18 WeakPolarHBondContact OD1-CA 3.45Å; N16-K18 VanDerWaalsContact OD1-CB 3.27Å; N16-K18 WeakPolarHBondContact OD1-CB 3.19Å; N16-K18 PolarHBondContact OD1-N 2.9Å; K18-A20 PolarHBondContact O-N 3.24Å; K18-R21 PolarHBondContact O-N 3.35Å; K18-D22 PolarHBondContact O-N 3.39Å
19	D	97.3	Very high	97.6	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.032	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59.1	-35.8	178.6	-51.8	-35.8	0	0	0	111.5	G4 M5 G15 N16 R21 D22 Q25	G4-D19 VanDerWaalsContact C-CG 3.47Å; G4-D19 VanDerWaalsContact C-OD2 3.27Å; G4-D19 WeakPolarHBondContact CA-OD1 3.37Å; M5-D19 HydrophobicContact CB-CB 4.16Å; M5-D19 HydrophobicContact CE-CB 4.29Å; M5-D19 WeakPolarHBondContact CE-O 3.47Å; M5-D19 PolarHBondContact N-OD2 2.95Å; G15-D19 WeakPolarHBondContact CA-OD2 3.22Å; N16-D19 PolarHBondContact N-OD2 3Å; N16-D19 PolarHBondContact ND2-OD2 3.25Å; N16-D19 PolarHBondContact O-N 2.79Å; N16-D19 PolarHBondContact OD1-N 2.89Å; N16-D19 PolarHBondContact OD1-OD2 2.91Å; D19-R21 PolarHBondContact O-N 3.32Å; D19-D22 PolarHBondContact O-N 3.34Å; D19-Q25 PolarHBondContact OD1-NE2 2.82Å
20	A	96.8	Very high	97.6	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-70.9	-7	177.8	0	0	0	0	0	114.9	N16 K18 L85 H87	N16-A20 PolarHBondContact O-N 2.59Å; K18-A20 PolarHBondContact O-N 3.24Å; A20-L85 HydrophobicContact CB-CD2 3.97Å; A20-H87 HydrophobicContact CB-CB 4.16Å; A20-H87 VanDerWaalsContact CB-CD2 3.46Å; A20-H87 WeakPolarHBondContact CB-CD2 3.42Å; A20-H87 VanDerWaalsContact CB-CG 3.48Å
21	R	95.5	Very high	97.6	Very high	143 Å²	143	58.7 Å²	58.7	54%	0.54	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-117.5	0.6	175.6	-61.4	-177.9	-179.5	-173.3	-0	112.5	K18 D19 A23	K18-R21 PolarHBondContact O-N 3.35Å; D19-R21 PolarHBondContact O-N 3.32Å; R21-A23 PolarHBondContact O-N 3.08Å
22	D	97.1	Very high	97.7	Very high	43 Å²	43	60 Å²	60	23%	0.23	30%	0.296	C	S	.	.			trans	-85.2	97.5	-176.9	-172.1	-34.6	0	0	0	109.2	K18 D19 E24 Q25 L26	K18-D22 PolarHBondContact O-N 3.39Å; D19-D22 PolarHBondContact O-N 3.34Å; D22-E24 PolarHBondContact O-N 3.19Å; D22-E24 WeakPolarHBondContact OD1-CB 3.42Å; D22-E24 PolarHBondContact OD1-N 3.43Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; D22-Q25 HydrophobicContact CB-CB 4.08Å; D22-Q25 HydrophobicContact CB-CG 4.19Å; D22-Q25 PolarHBondContact O-N 2.97Å; D22-Q25 PolarHBondContact OD1-N 2.94Å; D22-Q25 PolarHBondContact OD2-NE2 3.07Å; D22-L26 WeakPolarHBondContact O-CB 3.44Å; D22-L26 VanDerWaalsContact O-CG 3.22Å; D22-L26 WeakPolarHBondContact O-CG 3.42Å; D22-L26 PolarHBondContact O-N 3.44Å
23	A	95.5	Very high	97.7	Very high	76 Å²	76	60.2 Å²	60.2	63%	0.628	30%	0.297	S	S	*	.	H	α-helix	trans	-58.4	-32	-177.7	0	0	0	0	0	112.7	R21 S27	R21-A23 PolarHBondContact O-N 3.08Å; A23-S27 WeakPolarHBondContact O-CB 3.44Å; A23-S27 PolarHBondContact O-N 3.5Å
24	E	96.9	Very high	97.7	Very high	153 Å²	153	59 Å²	59	72%	0.715	29%	0.293	S	S	*	.	H	α-helix	trans	-69	-48.5	178.1	-170.8	-175.3	164.5	0	0	110.4	D22 S27 K28	D22-E24 PolarHBondContact O-N 3.19Å; D22-E24 WeakPolarHBondContact OD1-CB 3.42Å; D22-E24 PolarHBondContact OD1-N 3.43Å; D22-E24 VanDerWaalsContact OD1-N 3.12Å; E24-S27 PolarHBondContact O-N 2.99Å; E24-K28 WeakPolarHBondContact O-CB 3.43Å; E24-K28 PolarHBondContact O-N 3.42Å
25	Q	97.8	Very high	97.7	Very high	38 Å²	38	59 Å²	59	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-40.6	177.2	-68.5	-171.8	71.1	0	0	112.4	M5 D19 D22 N29	M5-Q25 HydrophobicContact CE-CB 3.58Å; M5-Q25 HydrophobicContact SD-CB 4.34Å; D19-Q25 PolarHBondContact OD1-NE2 2.82Å; D22-Q25 HydrophobicContact CB-CB 4.08Å; D22-Q25 HydrophobicContact CB-CG 4.19Å; D22-Q25 PolarHBondContact O-N 2.97Å; D22-Q25 PolarHBondContact OD1-N 2.94Å; D22-Q25 PolarHBondContact OD2-NE2 3.07Å; Q25-N29 WeakPolarHBondContact O-CB 3.4Å; Q25-N29 PolarHBondContact O-N 3.27Å; Q25-N29 PolarHBondContact O-ND2 3Å
26	L	98.2	Very high	97.7	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-46.4	178.3	-68.5	169.9	0	0	0	111.3	M5 D22 K30 V31 I34 L45 L85	M5-L26 HydrophobicContact CE-CD2 3.91Å; M5-L26 HydrophobicContact CE-CG 4.3Å; D22-L26 WeakPolarHBondContact O-CB 3.44Å; D22-L26 VanDerWaalsContact O-CG 3.22Å; D22-L26 WeakPolarHBondContact O-CG 3.42Å; D22-L26 PolarHBondContact O-N 3.44Å; L26-K30 PolarHBondContact O-N 2.89Å; L26-V31 HydrophobicContact CB-CB 4.39Å; L26-V31 HydrophobicContact CD2-CB 3.64Å; L26-V31 HydrophobicContact CD2-CG1 3.62Å; L26-V31 HydrophobicContact CD2-CG2 4.06Å; L26-V31 PolarHBondContact O-N 3.24Å; L26-I34 HydrophobicContact CD2-CD1 3.99Å; L26-L45 HydrophobicContact CD1-CD1 3.3Å; L26-L85 HydrophobicContact CD2-CD2 3.91Å
27	S	97.2	Very high	97.7	Very high	92 Å²	92	58.6 Å²	58.6	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-50.7	176.6	179.7	0	0	0	0	111.7	A23 E24 N29 K30	A23-S27 WeakPolarHBondContact O-CB 3.44Å; A23-S27 PolarHBondContact O-N 3.5Å; E24-S27 PolarHBondContact O-N 2.99Å; S27-N29 VanDerWaalsContact C-N 3.27Å; S27-N29 PolarHBondContact O-N 3.42Å; S27-K30 PolarHBondContact O-N 3.18Å
28	K	97.9	Very high	97.8	Very high	167 Å²	167	56 Å²	56	73%	0.726	28%	0.28	S	S	*	.	H	α-helix	trans	-55.9	-40.8	180	179.1	178.3	177.2	178.1	0	112.7	E24	E24-K28 WeakPolarHBondContact O-CB 3.43Å; E24-K28 PolarHBondContact O-N 3.42Å
29	N	98	Very high	97.7	Very high	35 Å²	35	53.9 Å²	53.9	19%	0.187	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	5.4	-178.7	-62.5	-55.6	0	0	0	113.5	M5 Y13 Q25 S27 V31 S83	M5-N29 HydrophobicContact SD-CB 4.11Å; M5-N29 PolarHBondContact SD-ND2 2.87Å; M5-N29 VanDerWaalsContact SD-ND2 3.35Å; Y13-N29 HydrophobicContact CE1-CB 3.98Å; Y13-N29 HydrophobicContact CE2-CB 4.29Å; Q25-N29 WeakPolarHBondContact O-CB 3.4Å; Q25-N29 PolarHBondContact O-N 3.27Å; Q25-N29 PolarHBondContact O-ND2 3Å; S27-N29 VanDerWaalsContact C-N 3.27Å; S27-N29 PolarHBondContact O-N 3.42Å; N29-V31 VanDerWaalsContact C-N 3.25Å; N29-V31 HydrophobicContact CB-CG2 4.05Å; N29-V31 PolarHBondContact O-N 3.13Å; N29-S83 WeakPolarHBondContact O-CB 3.41Å; N29-S83 PolarHBondContact O-OG 3.46Å
30	K	98	Very high	97.7	Very high	166 Å²	166	57.4 Å²	57.4	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.2	179.9	-54.9	-178.7	-178.5	-179	0	113	L26 S27 T32 S83	L26-K30 PolarHBondContact O-N 2.89Å; S27-K30 PolarHBondContact O-N 3.18Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-S83 WeakPolarHBondContact O-CB 3.44Å
31	V	98.6	Very high	97.8	Very high	13 Å²	13	57.8 Å²	57.8	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.3	-179.5	177.8	0	0	0	0	109.5	M5 L26 N29 H33 I34 L85	M5-V31 HydrophobicContact SD-CG2 4.03Å; L26-V31 HydrophobicContact CB-CB 4.39Å; L26-V31 HydrophobicContact CD2-CB 3.64Å; L26-V31 HydrophobicContact CD2-CG1 3.62Å; L26-V31 HydrophobicContact CD2-CG2 4.06Å; L26-V31 PolarHBondContact O-N 3.24Å; N29-V31 VanDerWaalsContact C-N 3.25Å; N29-V31 HydrophobicContact CB-CG2 4.05Å; N29-V31 PolarHBondContact O-N 3.13Å; V31-H33 WeakPolarHBondContact CG1-O 3.46Å; V31-I34 HydrophobicContact CG1-CG1 3.97Å; V31-L85 HydrophobicContact CG1-CB 3.7Å; V31-L85 HydrophobicContact CG2-CB 4.28Å
32	T	98.8	Very high	97.9	Very high	45 Å²	45	58.1 Å²	58.1	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-16.1	176.2	62	0	0	0	0	112.2	K30 V48 K49 E82 S83	K30-T32 PolarHBondContact O-N 3.16Å; T32-V48 WeakPolarHBondContact O-CA 3.46Å; T32-K49 PolarHBondContact O-N 3.35Å; T32-E82 WeakPolarHBondContact CB-OE2 3.26Å; T32-E82 WeakPolarHBondContact OG1-CB 3.21Å; T32-E82 PolarHBondContact OG1-OE2 3.22Å; T32-S83 PolarHBondContact N-O 2.88Å; T32-S83 VanDerWaalsContact N-O 3.08Å
33	H	98.9	Very high	97.9	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.019	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.3	179.4	-70.7	72.9	0	0	0	110.8	V31 K49 F73 C77 R80 E82 S83 C84 L85	V31-H33 WeakPolarHBondContact CG1-O 3.46Å; H33-K49 CarbonylContact C-O 3.56Å; H33-K49 WeakPolarHBondContact CA-O 3.32Å; H33-K49 WeakPolarHBondContact NE2-CD 3.33Å; H33-F73 HydrophobicContact CB-CE1 3.86Å; H33-F73 HydrophobicContact CB-CZ 3.8Å; H33-F73 AromaticContact CD2-CE2 3.77Å; H33-F73 AromaticContact CD2-CZ 3.64Å; H33-C77 HydrophobicContact CB-CB 4.21Å; H33-C77 VanDerWaalsContact CG-SG 3.59Å; H33-C77 PolarHBondContact ND1-SG 2.83Å; H33-R80 PolarHBondContact CE1-NH2 3.38Å; H33-R80 PolarHBondContact NE2-NH2 2.89Å; H33-E82 IonicContact CE1-OE2 2.93Å; H33-E82 PolarHBondContact CE1-OE2 3.49Å; H33-E82 IonicContact ND1-OE2 3.91Å; H33-E82 PolarHBondContact ND1-OE2 3.11Å; H33-S83 PolarHBondContact N-O 3.31Å; H33-C84 HydrophobicContact CB-CB 4.16Å; H33-C84 WeakPolarHBondContact O-CA 3.48Å; H33-L85 PolarHBondContact O-N 3.43Å
34	I	98.9	Very high	97.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.3	173.8	-66.2	-179.6	0	0	0	110.4	L26 V31 V48 K49 Y50 L51 L85 H87	L26-I34 HydrophobicContact CD2-CD1 3.99Å; V31-I34 HydrophobicContact CG1-CG1 3.97Å; I34-V48 HydrophobicContact CB-CG1 3.93Å; I34-V48 HydrophobicContact CD1-CG1 3.79Å; I34-V48 HydrophobicContact CG1-CG1 3.58Å; I34-K49 PolarHBondContact N-O 3.17Å; I34-Y50 HydrophobicContact CB-CD1 3.79Å; I34-Y50 HydrophobicContact CB-CE1 3.56Å; I34-Y50 HydrophobicContact CD1-CE1 4.06Å; I34-Y50 HydrophobicContact CG1-CE1 4.34Å; I34-Y50 HydrophobicContact CG2-CD1 3.9Å; I34-Y50 HydrophobicContact CG2-CE1 3.59Å; I34-Y50 WeakPolarHBondContact O-CA 3.34Å; I34-L51 PolarHBondContact O-N 3.01Å; I34-L85 CarbonylContact C-O 3.51Å; I34-L85 WeakPolarHBondContact CA-O 3.31Å; I34-L85 HydrophobicContact CD1-CD2 4.41Å; I34-L85 HydrophobicContact CG1-CB 4.26Å; I34-L85 HydrophobicContact CG1-CD2 4.41Å; I34-H87 VanDerWaalsContact CG2-CD2 3.48Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.47Å
35	L	98.9	Very high	97.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.1	164.2	-166.5	172.6	0	0	0	108.3	V37 L51 I53 F73 I74 L85 V86 H87 L98	L35-V37 HydrophobicContact CD2-CB 4.04Å; L35-V37 HydrophobicContact CD2-CG1 4.2Å; L35-L51 CarbonylContact C-O 3.58Å; L35-L51 WeakPolarHBondContact CA-O 3.42Å; L35-L51 HydrophobicContact CD1-CD2 4.01Å; L35-L51 HydrophobicContact CG-CB 4.25Å; L35-L51 HydrophobicContact CG-CD2 4.02Å; L35-L51 HydrophobicContact CG-CG 4.22Å; L35-I53 HydrophobicContact CD2-CD1 4.16Å; L35-F73 HydrophobicContact CB-CD1 4.13Å; L35-F73 HydrophobicContact CB-CE1 4.07Å; L35-I74 HydrophobicContact CD1-CD1 4.16Å; L35-I74 HydrophobicContact CD1-CG1 4.34Å; L35-L85 PolarHBondContact N-O 3.15Å; L35-V86 HydrophobicContact CB-CB 4.42Å; L35-V86 HydrophobicContact CB-CG1 4.16Å; L35-V86 HydrophobicContact CB-CG2 4.12Å; L35-V86 HydrophobicContact CD1-CG1 4.3Å; L35-V86 HydrophobicContact CD1-CG2 4.49Å; L35-V86 HydrophobicContact CD2-CG1 4.07Å; L35-V86 HydrophobicContact CG-CG1 4.39Å; L35-V86 WeakPolarHBondContact O-CA 3.44Å; L35-H87 PolarHBondContact O-N 3.14Å; L35-L98 HydrophobicContact CD1-CD1 4.16Å; L35-L98 HydrophobicContact CD2-CD1 3.63Å
36	S	98.8	Very high	97.4	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.7	-179.6	-167.6	0	0	0	0	110.4	H38 A41 L51 C52 I53 H87	S36-H38 PolarHBondContact OG-CD2 2.91Å; S36-H38 VanDerWaalsContact OG-CD2 3.26Å; S36-H38 PolarHBondContact OG-NE2 3.3Å; S36-A41 WeakPolarHBondContact O-CB 3.49Å; S36-L51 PolarHBondContact N-O 2.84Å; S36-C52 WeakPolarHBondContact O-CA 3.38Å; S36-I53 PolarHBondContact O-N 2.67Å; S36-H87 VanDerWaalsContact CB-NE2 3.32Å; S36-H87 WeakPolarHBondContact CB-NE2 3.32Å; S36-H87 PolarHBondContact OG-CE1 3.01Å; S36-H87 VanDerWaalsContact OG-CE1 3.29Å; S36-H87 PolarHBondContact OG-NE2 3.03Å
37	V	98.8	Very high	97.1	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	88.1	179.5	59.1	0	0	0	0	111.3	L35 I53 A55 L63 H87 C88 R94 L98	L35-V37 HydrophobicContact CD2-CB 4.04Å; L35-V37 HydrophobicContact CD2-CG1 4.2Å; V37-I53 WeakPolarHBondContact CA-O 3.37Å; V37-I53 HydrophobicContact CB-CB 4.37Å; V37-I53 HydrophobicContact CG2-CB 4.19Å; V37-I53 HydrophobicContact CG2-CG2 4.11Å; V37-A55 HydrophobicContact CG2-CB 3.85Å; V37-L63 HydrophobicContact CG2-CD2 4.26Å; V37-H87 WeakPolarHBondContact CG1-O 3.5Å; V37-H87 PolarHBondContact N-O 3.24Å; V37-C88 HydrophobicContact CG1-CB 4.1Å; V37-C88 VanDerWaalsContact O-CA 3.32Å; V37-C88 WeakPolarHBondContact O-CA 3.37Å; V37-C88 WeakPolarHBondContact O-CB 3.49Å; V37-R94 HydrophobicContact CG1-CB 3.98Å; V37-R94 HydrophobicContact CG2-CB 4.03Å; V37-L98 HydrophobicContact CB-CD1 3.98Å; V37-L98 HydrophobicContact CG1-CD1 3.88Å; V37-L98 HydrophobicContact CG2-CD1 4.11Å
38	H	98.2	Very high	97.1	Very high	34 Å²	34	64 Å²	64	16%	0.157	34%	0.342	C	S	.	.	S	Bend	trans	-159.3	171.9	174.8	65.3	83	0	0	0	110.9	S36 S40 A41 I53 P54 A55 H87	S36-H38 PolarHBondContact OG-CD2 2.91Å; S36-H38 VanDerWaalsContact OG-CD2 3.26Å; S36-H38 PolarHBondContact OG-NE2 3.3Å; H38-S40 VanDerWaalsContact CE1-C 3.41Å; H38-S40 PolarHBondContact CE1-O 3.08Å; H38-S40 PolarHBondContact ND1-N 3.26Å; H38-S40 PolarHBondContact O-N 2.88Å; H38-S40 VanDerWaalsContact O-N 3.07Å; H38-A41 PolarHBondContact CE1-N 2.82Å; H38-A41 PolarHBondContact ND1-N 3.01Å; H38-A41 WeakPolarHBondContact O-CB 3.18Å; H38-A41 PolarHBondContact O-N 3.34Å; H38-I53 PolarHBondContact N-O 3Å; H38-P54 WeakPolarHBondContact O-CA 3.33Å; H38-A55 CarbonylContact C-O 3.55Å; H38-A55 WeakPolarHBondContact CA-O 3.23Å; H38-A55 PolarHBondContact O-N 3.07Å; H38-H87 AromaticContact CD2-CE1 3.65Å; H38-H87 AromaticContact NE2-CE1 3.72Å
39	D	96.6	Very high	97.2	Very high	96 Å²	96	60.9 Å²	60.9	51%	0.513	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-38.5	-167.9	-55.1	-109.2	0	0	0	114.1	A55 R94	D39-A55 PolarHBondContact N-O 2.86Å; D39-R94 IonicContact OD2-CZ 3.95Å; D39-R94 IonicContact OD2-NH1 3.71Å; D39-R94 PolarHBondContact OD2-NH1 3.02Å
40	S	96.8	Very high	97.2	Very high	80 Å²	80	61.3 Å²	61.3	56%	0.559	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	33.8	-179.2	-41.9	0	0	0	0	113.2	H38 R42	H38-S40 VanDerWaalsContact CE1-C 3.41Å; H38-S40 PolarHBondContact CE1-O 3.08Å; H38-S40 PolarHBondContact ND1-N 3.26Å; H38-S40 PolarHBondContact O-N 2.88Å; H38-S40 VanDerWaalsContact O-N 3.07Å; S40-R42 PolarHBondContact O-N 2.83Å
41	A	97.8	Very high	97.2	Very high	12 Å²	12	54.8 Å²	54.8	10%	0.099	30%	0.3	C	S	.	.			trans	-57.4	125.8	-179.5	0	0	0	0	0	111.2	S36 H38 C52	S36-A41 WeakPolarHBondContact O-CB 3.49Å; H38-A41 PolarHBondContact CE1-N 2.82Å; H38-A41 PolarHBondContact ND1-N 3.01Å; H38-A41 WeakPolarHBondContact O-CB 3.18Å; H38-A41 PolarHBondContact O-N 3.34Å; A41-C52 HydrophobicContact CB-CB 4.01Å
42	R	97.3	Very high	97.2	Very high	150 Å²	150	55.9 Å²	55.9	57%	0.566	31%	0.308	S	S	*	.			trans	-155.7	157	176.8	62.6	-176.8	-179.9	-128.3	4.5	109.9	S40 M44 C52	S40-R42 PolarHBondContact O-N 2.83Å; R42-M44 HydrophobicContact CG-CG 4.39Å; R42-M44 HydrophobicContact CG-SD 4.36Å; R42-M44 WeakPolarHBondContact O-CG 3.42Å; R42-C52 VanDerWaalsContact CA-SG 3.52Å
43	P	97.3	Very high	97.2	Very high	89 Å²	89	53.9 Å²	53.9	58%	0.578	30%	0.295	S	S	*	.			trans	-56.9	140	171.7	-24.1	35	0	0	0	111.2	Y50	P43-Y50 HydrophobicContact CB-CD2 3.8Å; P43-Y50 HydrophobicContact CB-CE2 4.27Å; P43-Y50 HydrophobicContact CB-CG 4.05Å; P43-Y50 HydrophobicContact CG-CD2 4.5Å; P43-Y50 HydrophobicContact CG-CG 4.35Å
44	M	94.1	Very high	97.2	Very high	83 Å²	83	57.6 Å²	57.6	41%	0.409	32%	0.32	S	S	.	.			trans	-134.3	-27.2	-172.1	-72.3	-90	36.8	0	0	114.9	R42	R42-M44 HydrophobicContact CG-CG 4.39Å; R42-M44 HydrophobicContact CG-SD 4.36Å; R42-M44 WeakPolarHBondContact O-CG 3.42Å
45	L	94.8	Very high	97.2	Very high	62 Å²	62	57.7 Å²	57.7	33%	0.325	32%	0.321	S	S	.	.	S	Bend	trans	-120.5	144	-177.6	-57	174.7	0	0	0	109.8	L26 V48 Y50	L26-L45 HydrophobicContact CD1-CD1 3.3Å; L45-V48 HydrophobicContact CB-CG2 4.17Å; L45-Y50 WeakPolarHBondContact CB-OH 3.38Å; L45-Y50 WeakPolarHBondContact CG-OH 3.34Å; L45-Y50 PolarHBondContact N-OH 2.89Å; L45-Y50 VanDerWaalsContact N-OH 3.14Å
46	E	91.8	Very high	97.2	Very high	193 Å²	193	59.2 Å²	59.2	90%	0.902	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	155.9	169.6	-64.5	-176.6	-179.5	0	0	110.8	V48	E46-V48 PolarHBondContact O-N 2.98Å; E46-V48 VanDerWaalsContact O-N 3.15Å
47	G	91.4	Very high	97.1	Very high	84 Å²	84	62.2 Å²	62.2	87%	0.866	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	2.3	177.9	0	0	0	0	0	115.3
48	V	97.8	Very high	97.1	Very high	28 Å²	28	64 Å²	64	17%	0.17	36%	0.362	C	S	.	.			trans	-112.5	133.2	177.6	178.2	0	0	0	0	110	T32 I34 L45 E46 Y50	T32-V48 WeakPolarHBondContact O-CA 3.46Å; I34-V48 HydrophobicContact CB-CG1 3.93Å; I34-V48 HydrophobicContact CD1-CG1 3.79Å; I34-V48 HydrophobicContact CG1-CG1 3.58Å; L45-V48 HydrophobicContact CB-CG2 4.17Å; E46-V48 PolarHBondContact O-N 2.98Å; E46-V48 VanDerWaalsContact O-N 3.15Å; V48-Y50 HydrophobicContact CB-CD2 4.27Å; V48-Y50 HydrophobicContact CB-CE2 3.65Å; V48-Y50 HydrophobicContact CG1-CD2 4.05Å; V48-Y50 HydrophobicContact CG1-CE1 4.5Å; V48-Y50 HydrophobicContact CG1-CE2 3.62Å; V48-Y50 VanDerWaalsContact O-CD2 3.29Å; V48-Y50 WeakPolarHBondContact O-CD2 3.33Å
49	K	98.7	Very high	97	Very high	102 Å²	102	65.8 Å²	65.8	44%	0.443	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.9	172.3	-70.3	165.8	-178	163.1	0	109.3	T32 H33 I34 R80	T32-K49 PolarHBondContact O-N 3.35Å; H33-K49 CarbonylContact C-O 3.56Å; H33-K49 WeakPolarHBondContact CA-O 3.32Å; H33-K49 WeakPolarHBondContact NE2-CD 3.33Å; I34-K49 PolarHBondContact N-O 3.17Å; K49-R80 VanDerWaalsContact NZ-NH1 3.13Å
50	Y	98.8	Very high	97.1	Very high	44 Å²	44	66.3 Å²	66.3	17%	0.173	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.5	-175.1	-78.7	-90.7	0	0	0	113	I34 P43 L45 V48	I34-Y50 HydrophobicContact CB-CD1 3.79Å; I34-Y50 HydrophobicContact CB-CE1 3.56Å; I34-Y50 HydrophobicContact CD1-CE1 4.06Å; I34-Y50 HydrophobicContact CG1-CE1 4.34Å; I34-Y50 HydrophobicContact CG2-CD1 3.9Å; I34-Y50 HydrophobicContact CG2-CE1 3.59Å; I34-Y50 WeakPolarHBondContact O-CA 3.34Å; P43-Y50 HydrophobicContact CB-CD2 3.8Å; P43-Y50 HydrophobicContact CB-CE2 4.27Å; P43-Y50 HydrophobicContact CB-CG 4.05Å; P43-Y50 HydrophobicContact CG-CD2 4.5Å; P43-Y50 HydrophobicContact CG-CG 4.35Å; L45-Y50 WeakPolarHBondContact CB-OH 3.38Å; L45-Y50 WeakPolarHBondContact CG-OH 3.34Å; L45-Y50 PolarHBondContact N-OH 2.89Å; L45-Y50 VanDerWaalsContact N-OH 3.14Å; V48-Y50 HydrophobicContact CB-CD2 4.27Å; V48-Y50 HydrophobicContact CB-CE2 3.65Å; V48-Y50 HydrophobicContact CG1-CD2 4.05Å; V48-Y50 HydrophobicContact CG1-CE1 4.5Å; V48-Y50 HydrophobicContact CG1-CE2 3.62Å; V48-Y50 VanDerWaalsContact O-CD2 3.29Å; V48-Y50 WeakPolarHBondContact O-CD2 3.33Å
51	L	98.9	Very high	97.2	Very high	28 Å²	28	64.1 Å²	64.1	15%	0.147	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.5	154	174	60.3	0	0	0	107.4	I34 L35 S36 I53 E69 F73	I34-L51 PolarHBondContact O-N 3.01Å; L35-L51 CarbonylContact C-O 3.58Å; L35-L51 WeakPolarHBondContact CA-O 3.42Å; L35-L51 HydrophobicContact CD1-CD2 4.01Å; L35-L51 HydrophobicContact CG-CB 4.25Å; L35-L51 HydrophobicContact CG-CD2 4.02Å; L35-L51 HydrophobicContact CG-CG 4.22Å; S36-L51 PolarHBondContact N-O 2.84Å; L51-I53 HydrophobicContact CD2-CD1 4.22Å; L51-I53 HydrophobicContact CG-CD1 4.28Å; L51-I53 HydrophobicContact CG-CG1 4.36Å; L51-E69 HydrophobicContact CD2-CG 4.37Å; L51-F73 HydrophobicContact CB-CB 4.45Å; L51-F73 HydrophobicContact CB-CD1 3.96Å; L51-F73 HydrophobicContact CB-CD2 3.72Å; L51-F73 HydrophobicContact CB-CE1 4.06Å; L51-F73 HydrophobicContact CB-CE2 3.82Å; L51-F73 HydrophobicContact CB-CG 3.78Å; L51-F73 HydrophobicContact CB-CZ 3.99Å; L51-F73 HydrophobicContact CD2-CB 3.74Å; L51-F73 HydrophobicContact CD2-CD1 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.99Å
52	C	98.8	Very high	97.2	Very high	36 Å²	36	66.9 Å²	66.9	24%	0.243	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.5	-177	-64.8	0	0	0	0	110.3	S36 A41 R42 P54	S36-C52 WeakPolarHBondContact O-CA 3.38Å; A41-C52 HydrophobicContact CB-CB 4.01Å; R42-C52 VanDerWaalsContact CA-SG 3.52Å; C52-P54 WeakPolarHBondContact O-CD 3.42Å
53	I	98.8	Very high	97.3	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	101.9	179.7	-64.7	162.9	0	0	0	108.3	L35 S36 V37 H38 L51 A55 H66 S70 L98	L35-I53 HydrophobicContact CD2-CD1 4.16Å; S36-I53 PolarHBondContact O-N 2.67Å; V37-I53 WeakPolarHBondContact CA-O 3.37Å; V37-I53 HydrophobicContact CB-CB 4.37Å; V37-I53 HydrophobicContact CG2-CB 4.19Å; V37-I53 HydrophobicContact CG2-CG2 4.11Å; H38-I53 PolarHBondContact N-O 3Å; L51-I53 HydrophobicContact CD2-CD1 4.22Å; L51-I53 HydrophobicContact CG-CD1 4.28Å; L51-I53 HydrophobicContact CG-CG1 4.36Å; I53-A55 HydrophobicContact CG2-CB 4.15Å; I53-A55 PolarHBondContact O-N 3.26Å; I53-A55 VanDerWaalsContact O-N 3.09Å; I53-H66 HydrophobicContact CD1-CB 3.9Å; I53-H66 HydrophobicContact CG2-CB 4.42Å; I53-S70 WeakPolarHBondContact CD1-OG 3.31Å; I53-L98 HydrophobicContact CD1-CD1 4.12Å
54	P	98.5	Very high	97.3	Very high	82 Å²	82	56.9 Å²	56.9	53%	0.532	34%	0.336	S	S	.	.			trans	-63	108.7	170.1	-22.3	34.7	0	0	0	110.6	H38 C52	H38-P54 WeakPolarHBondContact O-CA 3.33Å; C52-P54 WeakPolarHBondContact O-CD 3.42Å
55	A	98.3	Very high	97.5	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.017	35%	0.345	C	S	.	.			trans	-150.9	134	-177.3	0	0	0	0	0	112.5	V37 H38 D39 I53 Q61 L63 R94	V37-A55 HydrophobicContact CG2-CB 3.85Å; H38-A55 CarbonylContact C-O 3.55Å; H38-A55 WeakPolarHBondContact CA-O 3.23Å; H38-A55 PolarHBondContact O-N 3.07Å; D39-A55 PolarHBondContact N-O 2.86Å; I53-A55 HydrophobicContact CG2-CB 4.15Å; I53-A55 PolarHBondContact O-N 3.26Å; I53-A55 VanDerWaalsContact O-N 3.09Å; A55-Q61 HydrophobicContact CB-CG 3.98Å; A55-L63 HydrophobicContact CB-CD2 3.83Å; A55-R94 VanDerWaalsContact O-CD 3.3Å; A55-R94 WeakPolarHBondContact O-CD 3.22Å; A55-R94 PolarHBondContact O-NH1 3.33Å
56	A	98.3	Very high	97.7	Very high	33 Å²	33	58.7 Å²	58.7	27%	0.273	33%	0.334	S	S	.	.			trans	-79.8	153.9	174.8	0	0	0	0	0	111.6	S58 Q61	A56-S58 PolarHBondContact O-N 2.77Å; A56-S58 VanDerWaalsContact O-N 3.1Å; A56-Q61 VanDerWaalsContact N-OE1 3.14Å; A56-Q61 WeakPolarHBondContact O-CB 3.31Å; A56-Q61 WeakPolarHBondContact O-CG 3.39Å
57	D	98.3	Very high	98.1	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	29%	0.292	S	S	.	.	S	Bend	trans	-86.2	62.7	171.3	-151.3	-14.1	0	0	0	111.1	S93 R94 N128 F131	D57-S93 VanDerWaalsContact OD1-CB 3.25Å; D57-S93 WeakPolarHBondContact OD1-CB 3.36Å; D57-S93 PolarHBondContact OD1-OG 2.72Å; D57-S93 WeakPolarHBondContact OD2-CB 3.15Å; D57-R94 HydrophobicContact CB-CG 4.29Å; D57-R94 IonicContact OD2-NE 2.67Å; D57-R94 IonicContact OD2-NH2 3.25Å; D57-N128 PolarHBondContact OD1-ND2 3.06Å; D57-F131 WeakPolarHBondContact OD1-CE2 3.4Å
58	S	98.2	Very high	98.4	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	27%	0.272	S	S	.	.	S	Bend	trans	-121	143.5	-178.6	176.6	0	0	0	0	110	A56 S60 Q61	A56-S58 PolarHBondContact O-N 2.77Å; A56-S58 VanDerWaalsContact O-N 3.1Å; S58-S60 PolarHBondContact O-N 2.93Å; S58-S60 VanDerWaalsContact O-N 3.09Å; S58-S60 PolarHBondContact OG-N 2.64Å; S58-S60 PolarHBondContact OG-OG 3.45Å; S58-Q61 WeakPolarHBondContact O-CB 3.38Å; S58-Q61 PolarHBondContact O-N 3.5Å
59	P	97.1	Very high	98.5	Very high	72 Å²	72	53 Å²	53	47%	0.468	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23	169.7	-26.5	35.9	0	0	0	114.4	V129	P59-V129 HydrophobicContact CG-CG2 4.23Å
60	S	97.2	Very high	98.5	Very high	107 Å²	107	48.2 Å²	48.2	75%	0.748	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.2	176.6	61	0	0	0	0	114.4	S58 N62	S58-S60 PolarHBondContact O-N 2.93Å; S58-S60 VanDerWaalsContact O-N 3.09Å; S58-S60 PolarHBondContact OG-N 2.64Å; S58-S60 PolarHBondContact OG-OG 3.45Å; S60-N62 PolarHBondContact O-N 2.82Å
61	Q	98.6	Very high	98.5	Very high	34 Å²	34	46.1 Å²	46.1	16%	0.159	25%	0.253	C	S	.	.	S	Bend	trans	-70.8	127.5	177.2	174.8	66.4	61.5	0	0	109.5	A55 A56 S58 L63 F131 Q134	A55-Q61 HydrophobicContact CB-CG 3.98Å; A56-Q61 VanDerWaalsContact N-OE1 3.14Å; A56-Q61 WeakPolarHBondContact O-CB 3.31Å; A56-Q61 WeakPolarHBondContact O-CG 3.39Å; S58-Q61 WeakPolarHBondContact O-CB 3.38Å; S58-Q61 PolarHBondContact O-N 3.5Å; Q61-L63 HydrophobicContact CG-CD2 4.14Å; Q61-L63 HydrophobicContact CG-CG 4.28Å; Q61-L63 PolarHBondContact O-N 3.42Å; Q61-F131 HydrophobicContact CB-CE1 3.95Å; Q61-F131 HydrophobicContact CB-CZ 4.13Å; Q61-F131 HydrophobicContact CG-CE1 4.23Å; Q61-F131 HydrophobicContact CG-CZ 4.28Å; Q61-F131 WeakPolarHBondContact O-CE1 3.42Å; Q61-Q134 PolarHBondContact O-NE2 3.48Å
62	N	98.5	Very high	98.5	Very high	69 Å²	69	48.2 Å²	48.2	37%	0.369	26%	0.261	S	S	.	.			trans	-84.4	112.3	172.5	-178	-27.6	0	0	0	109.6	S60 T64 R65	S60-N62 PolarHBondContact O-N 2.82Å; N62-T64 PolarHBondContact OD1-N 3.33Å; N62-T64 PolarHBondContact OD1-OG1 3.02Å; N62-R65 PolarHBondContact OD1-N 3.17Å
63	L	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.			trans	-102.3	-21.3	171.9	-71.4	-174.1	0	0	0	113	V37 A55 Q61 R65 H66 F67 R94 T97 L98 F131	V37-L63 HydrophobicContact CG2-CD2 4.26Å; A55-L63 HydrophobicContact CB-CD2 3.83Å; Q61-L63 HydrophobicContact CG-CD2 4.14Å; Q61-L63 HydrophobicContact CG-CG 4.28Å; Q61-L63 PolarHBondContact O-N 3.42Å; L63-R65 PolarHBondContact O-N 3.05Å; L63-H66 WeakPolarHBondContact O-CA 3.49Å; L63-H66 WeakPolarHBondContact O-CB 3.47Å; L63-H66 PolarHBondContact O-N 2.93Å; L63-F67 HydrophobicContact CB-CE1 4.1Å; L63-F67 WeakPolarHBondContact O-CD1 3.14Å; L63-F67 WeakPolarHBondContact O-CE1 3.32Å; L63-F67 PolarHBondContact O-N 3.09Å; L63-R94 HydrophobicContact CD1-CB 4.45Å; L63-R94 HydrophobicContact CD1-CG 4.44Å; L63-T97 HydrophobicContact CD1-CG2 4.04Å; L63-L98 HydrophobicContact CB-CD2 4.49Å; L63-F131 HydrophobicContact CB-CE1 4.43Å; L63-F131 HydrophobicContact CD1-CD1 3.88Å; L63-F131 HydrophobicContact CD1-CD2 3.96Å; L63-F131 HydrophobicContact CD1-CE1 3.58Å; L63-F131 HydrophobicContact CD1-CE2 3.66Å; L63-F131 HydrophobicContact CD1-CG 4.09Å; L63-F131 HydrophobicContact CD1-CZ 3.47Å; L63-F131 VanDerWaalsContact CD1-CZ 3.47Å; L63-F131 HydrophobicContact CG-CD1 4.15Å; L63-F131 HydrophobicContact CG-CE1 3.65Å; L63-F131 HydrophobicContact CG-CZ 3.89Å
64	T	98.6	Very high	98.5	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.178	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.5	-38.9	177.3	32.8	0	0	0	0	112.5	N62 H66 F67 Q134	N62-T64 PolarHBondContact OD1-N 3.33Å; N62-T64 PolarHBondContact OD1-OG1 3.02Å; T64-H66 PolarHBondContact O-N 3.18Å; T64-F67 HydrophobicContact CG2-CD2 3.99Å; T64-F67 HydrophobicContact CG2-CE2 3.48Å; T64-F67 VanDerWaalsContact CG2-CE2 3.48Å; T64-F67 HydrophobicContact CG2-CZ 3.83Å; T64-F67 WeakPolarHBondContact O-CB 3.4Å; T64-F67 PolarHBondContact O-N 2.88Å; T64-Q134 HydrophobicContact CG2-CB 3.95Å; T64-Q134 HydrophobicContact CG2-CG 4.36Å
65	R	98.6	Very high	98.5	Very high	160 Å²	160	44 Å²	44	60%	0.604	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-59.7	-18.5	175.5	72.8	-178.4	-176.2	169.4	3.9	114.4	N62 L63	N62-R65 PolarHBondContact OD1-N 3.17Å; L63-R65 PolarHBondContact O-N 3.05Å
66	H	98.9	Very high	98.5	Very high	23 Å²	23	47.1 Å²	47.1	11%	0.106	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-102.6	-2.1	-179.3	-60.5	-64.6	0	0	0	113	I53 L63 T64 K68 E69 S70	I53-H66 HydrophobicContact CD1-CB 3.9Å; I53-H66 HydrophobicContact CG2-CB 4.42Å; L63-H66 WeakPolarHBondContact O-CA 3.49Å; L63-H66 WeakPolarHBondContact O-CB 3.47Å; L63-H66 PolarHBondContact O-N 2.93Å; T64-H66 PolarHBondContact O-N 3.18Å; H66-K68 PolarHBondContact O-N 2.74Å; H66-E69 HydrophobicContact CB-CG 4.46Å; H66-E69 IonicContact CE1-OE1 3.48Å; H66-E69 IonicContact CG-OE1 3.93Å; H66-E69 IonicContact ND1-OE1 2.64Å; H66-E69 PolarHBondContact ND1-OE1 3.19Å; H66-E69 VanDerWaalsContact O-CG 3.31Å; H66-E69 WeakPolarHBondContact O-CG 3.36Å; H66-S70 VanDerWaalsContact O-CB 3.22Å; H66-S70 WeakPolarHBondContact O-CB 3.46Å; H66-S70 PolarHBondContact O-N 3.03Å; H66-S70 VanDerWaalsContact O-N 3.07Å; H66-S70 PolarHBondContact O-OG 3.46Å
67	F	98.9	Very high	98.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-47.7	-177.1	-73.4	-0.5	0	0	0	111.4	L63 T64 E69 S70 I71 T97 L98 A101 L135 F138 Y146	L63-F67 HydrophobicContact CB-CE1 4.1Å; L63-F67 WeakPolarHBondContact O-CD1 3.14Å; L63-F67 WeakPolarHBondContact O-CE1 3.32Å; L63-F67 PolarHBondContact O-N 3.09Å; T64-F67 HydrophobicContact CG2-CD2 3.99Å; T64-F67 HydrophobicContact CG2-CE2 3.48Å; T64-F67 VanDerWaalsContact CG2-CE2 3.48Å; T64-F67 HydrophobicContact CG2-CZ 3.83Å; T64-F67 WeakPolarHBondContact O-CB 3.4Å; T64-F67 PolarHBondContact O-N 2.88Å; F67-E69 PolarHBondContact O-N 2.99Å; F67-S70 PolarHBondContact O-N 2.91Å; F67-I71 HydrophobicContact CB-CD1 4.27Å; F67-I71 WeakPolarHBondContact O-CB 3.46Å; F67-I71 WeakPolarHBondContact O-CD1 3.46Å; F67-I71 WeakPolarHBondContact O-CG1 3.36Å; F67-I71 PolarHBondContact O-N 2.86Å; F67-T97 HydrophobicContact CE1-CG2 4.12Å; F67-T97 HydrophobicContact CZ-CG2 4.16Å; F67-L98 HydrophobicContact CD1-CD2 3.78Å; F67-L98 HydrophobicContact CE1-CD2 3.95Å; F67-A101 HydrophobicContact CB-CB 4.46Å; F67-A101 HydrophobicContact CD1-CB 3.92Å; F67-A101 HydrophobicContact CD2-CB 3.72Å; F67-A101 HydrophobicContact CE1-CB 4.01Å; F67-A101 HydrophobicContact CE2-CB 3.8Å; F67-A101 HydrophobicContact CG-CB 3.78Å; F67-A101 HydrophobicContact CZ-CB 3.95Å; F67-L135 HydrophobicContact CE2-CD2 4.23Å; F67-L135 HydrophobicContact CZ-CD2 3.93Å; F67-F138 HydrophobicContact CD2-CB 4.44Å; F67-F138 HydrophobicContact CD2-CD1 4.21Å; F67-F138 AromaticContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CE1 4.43Å; F67-F138 AromaticContact CD2-CE2 3.97Å; F67-F138 HydrophobicContact CD2-CE2 3.97Å; F67-F138 AromaticContact CD2-CG 3.87Å; F67-F138 HydrophobicContact CD2-CG 3.87Å; F67-F138 HydrophobicContact CD2-CZ 4.32Å; F67-F138 HydrophobicContact CE2-CB 3.91Å; F67-F138 HydrophobicContact CE2-CD1 4.09Å; F67-F138 HydrophobicContact CE2-CD2 4.05Å; F67-F138 AromaticContact CE2-CG 3.75Å; F67-F138 HydrophobicContact CE2-CG 3.75Å; F67-Y146 HydrophobicContact CB-CE1 4.04Å
68	K	98.8	Very high	98.6	Very high	104 Å²	104	42.8 Å²	42.8	45%	0.452	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-47.7	-176.2	-168.6	167.9	-175.7	169.8	0	113.2	H66 I71 K72 Y146 W149	H66-K68 PolarHBondContact O-N 2.74Å; K68-I71 PolarHBondContact O-N 3.23Å; K68-K72 WeakPolarHBondContact O-CB 3.44Å; K68-K72 PolarHBondContact O-N 3.46Å; K68-Y146 HydrophobicContact CB-CE1 3.83Å; K68-Y146 HydrophobicContact CG-CE1 4.39Å; K68-W149 VanDerWaalsContact CE-CE2 3.46Å; K68-W149 HydrophobicContact CG-CH2 3.91Å; K68-W149 HydrophobicContact CG-CZ2 4.04Å; K68-W149 HydrophobicContact CG-CZ3 4.19Å
69	E	98.9	Very high	98.6	Very high	83 Å²	83	43.7 Å²	43.7	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-67.1	-37.7	178	63.8	178.8	150.8	0	0	112.3	L51 H66 F67 F73	L51-E69 HydrophobicContact CD2-CG 4.37Å; H66-E69 HydrophobicContact CB-CG 4.46Å; H66-E69 IonicContact CE1-OE1 3.48Å; H66-E69 IonicContact CG-OE1 3.93Å; H66-E69 IonicContact ND1-OE1 2.64Å; H66-E69 PolarHBondContact ND1-OE1 3.19Å; H66-E69 VanDerWaalsContact O-CG 3.31Å; H66-E69 WeakPolarHBondContact O-CG 3.36Å; F67-E69 PolarHBondContact O-N 2.99Å; E69-F73 WeakPolarHBondContact O-CB 3.39Å; E69-F73 PolarHBondContact O-N 2.91Å
70	S	98.9	Very high	98.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-45.1	177.4	-60.2	0	0	0	0	111.2	I53 H66 F67 F73 I74	I53-S70 WeakPolarHBondContact CD1-OG 3.31Å; H66-S70 VanDerWaalsContact O-CB 3.22Å; H66-S70 WeakPolarHBondContact O-CB 3.46Å; H66-S70 PolarHBondContact O-N 3.03Å; H66-S70 VanDerWaalsContact O-N 3.07Å; H66-S70 PolarHBondContact O-OG 3.46Å; F67-S70 PolarHBondContact O-N 2.91Å; S70-F73 PolarHBondContact O-N 3.21Å; S70-I74 WeakPolarHBondContact O-CD1 3.22Å; S70-I74 VanDerWaalsContact O-CG1 3.23Å; S70-I74 WeakPolarHBondContact O-CG1 3.3Å; S70-I74 PolarHBondContact O-N 3.12Å
71	I	98.9	Very high	98.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-49.6	178.5	-70.3	163.6	0	0	0	110	F67 K68 F73 I74 H75 Y102 T105 Y146 W149 L150	F67-I71 HydrophobicContact CB-CD1 4.27Å; F67-I71 WeakPolarHBondContact O-CB 3.46Å; F67-I71 WeakPolarHBondContact O-CD1 3.46Å; F67-I71 WeakPolarHBondContact O-CG1 3.36Å; F67-I71 PolarHBondContact O-N 2.86Å; K68-I71 PolarHBondContact O-N 3.23Å; I71-F73 PolarHBondContact O-N 3.23Å; I71-I74 PolarHBondContact O-N 3.03Å; I71-H75 WeakPolarHBondContact O-CB 3.32Å; I71-H75 PolarHBondContact O-N 2.9Å; I71-Y102 HydrophobicContact CB-CD2 4.33Å; I71-Y102 HydrophobicContact CG1-CD2 4.29Å; I71-Y102 HydrophobicContact CG2-CD2 4.03Å; I71-Y102 HydrophobicContact CG2-CE2 4.45Å; I71-T105 HydrophobicContact CD1-CG2 4.41Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.19Å; I71-T105 HydrophobicContact CG2-CG2 4.29Å; I71-Y146 HydrophobicContact CD1-CD1 3.62Å; I71-Y146 HydrophobicContact CD1-CE1 3.92Å; I71-W149 HydrophobicContact CB-CZ3 4.29Å; I71-W149 HydrophobicContact CG2-CH2 4.1Å; I71-W149 HydrophobicContact CG2-CZ3 3.73Å; I71-L150 HydrophobicContact CG2-CD1 4.03Å
72	K	98.9	Very high	98.7	Very high	72 Å²	72	45.2 Å²	45.2	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-54.9	-50.7	176.7	176.5	165.1	-175	79.9	0	111.4	K68 I74 H75 E76 W149 E153 Y154	K68-K72 WeakPolarHBondContact O-CB 3.44Å; K68-K72 PolarHBondContact O-N 3.46Å; K72-I74 PolarHBondContact O-N 3.31Å; K72-H75 PolarHBondContact O-N 3.47Å; K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 HydrophobicContact CG-CG 4.35Å; K72-E76 WeakPolarHBondContact CG-OE1 3.5Å; K72-E76 IonicContact NZ-OE1 3.2Å; K72-E76 PolarHBondContact NZ-OE1 2.97Å; K72-E76 WeakPolarHBondContact O-CB 3.48Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.12Å; K72-W149 HydrophobicContact CB-CH2 4.21Å; K72-W149 HydrophobicContact CB-CZ2 4.48Å; K72-E153 IonicContact NZ-OE1 2.77Å; K72-E153 PolarHBondContact NZ-OE1 3.18Å; K72-Y154 WeakPolarHBondContact CG-OH 3.36Å; K72-Y154 PolarHBondContact NZ-OH 3.26Å
73	F	98.9	Very high	98.7	Very high	32 Å²	32	42.6 Å²	42.6	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-45	-179.1	-177.7	-96.3	0	0	0	112.9	H33 L35 L51 E69 S70 I71 C77	H33-F73 HydrophobicContact CB-CE1 3.86Å; H33-F73 HydrophobicContact CB-CZ 3.8Å; H33-F73 AromaticContact CD2-CE2 3.77Å; H33-F73 AromaticContact CD2-CZ 3.64Å; L35-F73 HydrophobicContact CB-CD1 4.13Å; L35-F73 HydrophobicContact CB-CE1 4.07Å; L51-F73 HydrophobicContact CB-CB 4.45Å; L51-F73 HydrophobicContact CB-CD1 3.96Å; L51-F73 HydrophobicContact CB-CD2 3.72Å; L51-F73 HydrophobicContact CB-CE1 4.06Å; L51-F73 HydrophobicContact CB-CE2 3.82Å; L51-F73 HydrophobicContact CB-CG 3.78Å; L51-F73 HydrophobicContact CB-CZ 3.99Å; L51-F73 HydrophobicContact CD2-CB 3.74Å; L51-F73 HydrophobicContact CD2-CD1 4.39Å; L51-F73 HydrophobicContact CD2-CG 3.99Å; E69-F73 WeakPolarHBondContact O-CB 3.39Å; E69-F73 PolarHBondContact O-N 2.91Å; S70-F73 PolarHBondContact O-N 3.21Å; I71-F73 PolarHBondContact O-N 3.23Å; F73-C77 WeakPolarHBondContact O-CB 3.45Å; F73-C77 PolarHBondContact O-N 3.35Å
74	I	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-45.6	177.3	-64.8	163.2	0	0	0	110.4	L12 L35 S70 I71 K72 C77 R78 V86 Y102	L12-I74 HydrophobicContact CD1-CG2 3.73Å; L12-I74 HydrophobicContact CD2-CG2 4.24Å; L35-I74 HydrophobicContact CD1-CD1 4.16Å; L35-I74 HydrophobicContact CD1-CG1 4.34Å; S70-I74 WeakPolarHBondContact O-CD1 3.22Å; S70-I74 VanDerWaalsContact O-CG1 3.23Å; S70-I74 WeakPolarHBondContact O-CG1 3.3Å; S70-I74 PolarHBondContact O-N 3.12Å; I71-I74 PolarHBondContact O-N 3.03Å; K72-I74 PolarHBondContact O-N 3.31Å; I74-C77 WeakPolarHBondContact O-CB 3.32Å; I74-C77 PolarHBondContact O-N 3.06Å; I74-R78 HydrophobicContact CG2-CG 4.44Å; I74-R78 VanDerWaalsContact O-CG 3.31Å; I74-R78 WeakPolarHBondContact O-CG 3.4Å; I74-R78 PolarHBondContact O-N 3.26Å; I74-R78 VanDerWaalsContact O-N 3.08Å; I74-V86 HydrophobicContact CD1-CG2 3.81Å; I74-V86 HydrophobicContact CG1-CG2 4.12Å; I74-Y102 HydrophobicContact CB-CD2 3.92Å; I74-Y102 HydrophobicContact CB-CE2 4.01Å; I74-Y102 HydrophobicContact CB-CG 4.34Å; I74-Y102 HydrophobicContact CD1-CD2 4.44Å; I74-Y102 HydrophobicContact CD1-CG 4.24Å; I74-Y102 HydrophobicContact CG2-CD1 3.91Å; I74-Y102 HydrophobicContact CG2-CD2 3.79Å; I74-Y102 HydrophobicContact CG2-CE1 3.8Å; I74-Y102 HydrophobicContact CG2-CE2 3.67Å; I74-Y102 HydrophobicContact CG2-CG 3.92Å
75	H	98.8	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-49.2	-174.5	-156.5	63.8	0	0	0	111.7	I71 K72 C77 R78 L79 Y102 L150 Y154	I71-H75 WeakPolarHBondContact O-CB 3.32Å; I71-H75 PolarHBondContact O-N 2.9Å; K72-H75 PolarHBondContact O-N 3.47Å; H75-C77 VanDerWaalsContact C-N 3.29Å; H75-C77 PolarHBondContact O-N 3.3Å; H75-R78 PolarHBondContact O-N 3.29Å; H75-R78 VanDerWaalsContact O-N 3.07Å; H75-L79 WeakPolarHBondContact O-CG 3.36Å; H75-L79 PolarHBondContact O-N 2.83Å; H75-Y102 HydrophobicContact CB-CE2 3.89Å; H75-Y102 AromaticContact ND1-CE2 3.77Å; H75-Y102 AromaticContact ND1-CZ 3.87Å; H75-Y102 PolarHBondContact ND1-OH 3Å; H75-L150 HydrophobicContact CB-CD1 4.5Å; H75-Y154 AromaticContact CD2-CD2 3.53Å; H75-Y154 AromaticContact CD2-CE2 3.85Å; H75-Y154 AromaticContact CD2-CG 3.75Å
76	E	98.7	Very high	98.7	Very high	67 Å²	67	33.6 Å²	33.6	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-64.9	-31	179.1	-70.1	179.1	174.1	0	0	112.9	K72 R80 Y154	K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 HydrophobicContact CG-CG 4.35Å; K72-E76 WeakPolarHBondContact CG-OE1 3.5Å; K72-E76 IonicContact NZ-OE1 3.2Å; K72-E76 PolarHBondContact NZ-OE1 2.97Å; K72-E76 WeakPolarHBondContact O-CB 3.48Å; K72-E76 WeakPolarHBondContact O-CG 3.46Å; K72-E76 PolarHBondContact O-N 3.12Å; E76-R80 PolarHBondContact O-NE 2.87Å; E76-Y154 HydrophobicContact CG-CE1 3.81Å; E76-Y154 PolarHBondContact OE1-OH 2.9Å
77	C	98.8	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-52.5	169.2	176	0	0	0	0	110.4	H33 F73 I74 H75 L79 R80 E82 C84	H33-C77 HydrophobicContact CB-CB 4.21Å; H33-C77 VanDerWaalsContact CG-SG 3.59Å; H33-C77 PolarHBondContact ND1-SG 2.83Å; F73-C77 WeakPolarHBondContact O-CB 3.45Å; F73-C77 PolarHBondContact O-N 3.35Å; I74-C77 WeakPolarHBondContact O-CB 3.32Å; I74-C77 PolarHBondContact O-N 3.06Å; H75-C77 VanDerWaalsContact C-N 3.29Å; H75-C77 PolarHBondContact O-N 3.3Å; C77-L79 PolarHBondContact O-N 3.17Å; C77-R80 PolarHBondContact O-N 2.9Å; C77-E82 WeakPolarHBondContact O-CB 3.43Å; C77-E82 PolarHBondContact O-N 2.68Å; C77-E82 VanDerWaalsContact SG-C 3.56Å; C77-C84 HydrophobicContact CB-CB 4.16Å
78	R	98.6	Very high	98.7	Very high	7 Å²	7	33 Å²	33	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-69.5	-36	-173.9	-66.6	178.6	72.3	-124.4	5.4	113.1	P10 I74 H75 R80 G81 Y102 L159 D161	P10-R78 VanDerWaalsContact O-CZ 3.3Å; P10-R78 PolarHBondContact O-NE 3.22Å; P10-R78 PolarHBondContact O-NH2 2.67Å; I74-R78 HydrophobicContact CG2-CG 4.44Å; I74-R78 VanDerWaalsContact O-CG 3.31Å; I74-R78 WeakPolarHBondContact O-CG 3.4Å; I74-R78 PolarHBondContact O-N 3.26Å; I74-R78 VanDerWaalsContact O-N 3.08Å; H75-R78 PolarHBondContact O-N 3.29Å; H75-R78 VanDerWaalsContact O-N 3.07Å; R78-R80 PolarHBondContact O-N 2.91Å; R78-G81 PolarHBondContact O-N 3.41Å; R78-Y102 PolarHBondContact NH1-OH 3.26Å; R78-L159 HydrophobicContact CB-CD1 3.73Å; R78-L159 VanDerWaalsContact NH1-CD1 3.26Å; R78-D161 IonicContact CZ-OD1 3.87Å; R78-D161 IonicContact CZ-OD2 3.68Å; R78-D161 IonicContact NH1-OD1 2.67Å; R78-D161 PolarHBondContact NH1-OD1 2.87Å; R78-D161 IonicContact NH1-OD2 3.54Å; R78-D161 PolarHBondContact NH1-OD2 3.33Å; R78-D161 IonicContact NH2-OD1 3Å; R78-D161 PolarHBondContact NH2-OD1 3.09Å; R78-D161 IonicContact NH2-OD2 3.25Å
79	L	98.3	Very high	98.6	Very high	57 Å²	57	32 Å²	32	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-26.9	175	-72.8	-179.3	0	0	0	112.8	H75 C77 G81 Y154 P158 L159	H75-L79 WeakPolarHBondContact O-CG 3.36Å; H75-L79 PolarHBondContact O-N 2.83Å; C77-L79 PolarHBondContact O-N 3.17Å; L79-G81 PolarHBondContact O-N 2.86Å; L79-Y154 HydrophobicContact CD1-CD1 3.72Å; L79-Y154 HydrophobicContact CD1-CE1 4.41Å; L79-Y154 HydrophobicContact CD1-CG 4.07Å; L79-P158 HydrophobicContact CD2-CG 4.01Å; L79-L159 HydrophobicContact CD2-CD1 3.98Å; L79-L159 HydrophobicContact CD2-CG 4.13Å; L79-L159 HydrophobicContact CG-CD1 4.49Å
80	R	98	Very high	98.5	Very high	124 Å²	124	29 Å²	29	47%	0.468	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.4	173.7	-71.7	-179.6	-71.5	179.3	1.6	113.8	H33 K49 E76 C77 R78 E82	H33-R80 PolarHBondContact CE1-NH2 3.38Å; H33-R80 PolarHBondContact NE2-NH2 2.89Å; K49-R80 VanDerWaalsContact NZ-NH1 3.13Å; E76-R80 PolarHBondContact O-NE 2.87Å; C77-R80 PolarHBondContact O-N 2.9Å; R78-R80 PolarHBondContact O-N 2.91Å; R80-E82 HydrophobicContact CB-CG 4.01Å; R80-E82 IonicContact CZ-OE1 3.51Å; R80-E82 IonicContact NE-OE1 3.78Å; R80-E82 IonicContact NH1-OE1 3.72Å; R80-E82 PolarHBondContact O-N 2.87Å
81	G	97.8	Very high	98.5	Very high	73 Å²	73	29 Å²	29	75%	0.753	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	18.6	-174.1	0	0	0	0	0	113.5	R78 L79	R78-G81 PolarHBondContact O-N 3.41Å; L79-G81 PolarHBondContact O-N 2.86Å
82	E	98.4	Very high	98.4	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.224	17%	0.168	C	C	.	.			trans	-96.4	163.9	178.9	-59.6	-176.9	-136.3	0	0	111.8	T32 H33 C77 R80	T32-E82 WeakPolarHBondContact CB-OE2 3.26Å; T32-E82 WeakPolarHBondContact OG1-CB 3.21Å; T32-E82 PolarHBondContact OG1-OE2 3.22Å; H33-E82 IonicContact CE1-OE2 2.93Å; H33-E82 PolarHBondContact CE1-OE2 3.49Å; H33-E82 IonicContact ND1-OE2 3.91Å; H33-E82 PolarHBondContact ND1-OE2 3.11Å; C77-E82 WeakPolarHBondContact O-CB 3.43Å; C77-E82 PolarHBondContact O-N 2.68Å; C77-E82 VanDerWaalsContact SG-C 3.56Å; R80-E82 HydrophobicContact CB-CG 4.01Å; R80-E82 IonicContact CZ-OE1 3.51Å; R80-E82 IonicContact NE-OE1 3.78Å; R80-E82 IonicContact NH1-OE1 3.72Å; R80-E82 PolarHBondContact O-N 2.87Å
83	S	98.8	Very high	98.4	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.1	178.3	-62.6	0	0	0	0	113.1	G11 N29 K30 T32 H33	G11-S83 CarbonylContact O-C 3.56Å; G11-S83 WeakPolarHBondContact O-CA 3.49Å; N29-S83 WeakPolarHBondContact O-CB 3.41Å; N29-S83 PolarHBondContact O-OG 3.46Å; K30-S83 WeakPolarHBondContact O-CB 3.44Å; T32-S83 PolarHBondContact N-O 2.88Å; T32-S83 VanDerWaalsContact N-O 3.08Å; H33-S83 PolarHBondContact N-O 3.31Å
84	C	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.4	174.1	-173.4	0	0	0	0	111.4	G11 L12 Y13 H33 C77	G11-C84 PolarHBondContact O-N 3.04Å; L12-C84 HydrophobicContact CD1-CB 4.43Å; Y13-C84 PolarHBondContact N-O 2.9Å; H33-C84 HydrophobicContact CB-CB 4.16Å; H33-C84 WeakPolarHBondContact O-CA 3.48Å; C77-C84 HydrophobicContact CB-CB 4.16Å
85	L	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.3	167.5	171.7	67.2	0	0	0	109.8	M5 A20 L26 V31 H33 I34 L35 H87	M5-L85 HydrophobicContact CB-CD1 3.94Å; M5-L85 HydrophobicContact CE-CD1 4.4Å; M5-L85 HydrophobicContact CE-CD2 3.83Å; M5-L85 HydrophobicContact SD-CD1 4.29Å; A20-L85 HydrophobicContact CB-CD2 3.97Å; L26-L85 HydrophobicContact CD2-CD2 3.91Å; V31-L85 HydrophobicContact CG1-CB 3.7Å; V31-L85 HydrophobicContact CG2-CB 4.28Å; H33-L85 PolarHBondContact O-N 3.43Å; I34-L85 CarbonylContact C-O 3.51Å; I34-L85 WeakPolarHBondContact CA-O 3.31Å; I34-L85 HydrophobicContact CD1-CD2 4.41Å; I34-L85 HydrophobicContact CG1-CB 4.26Å; I34-L85 HydrophobicContact CG1-CD2 4.41Å; L35-L85 PolarHBondContact N-O 3.15Å; L85-H87 HydrophobicContact CG-CB 4.42Å
86	V	98.9	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.3	170.9	-170.4	0	0	0	0	108.6	L12 Y13 I14 G15 L35 I74 V99	L12-V86 HydrophobicContact CD1-CG2 3.93Å; Y13-V86 PolarHBondContact O-N 3.03Å; I14-V86 WeakPolarHBondContact CA-O 3.5Å; G15-V86 PolarHBondContact N-O 3.26Å; L35-V86 HydrophobicContact CB-CB 4.42Å; L35-V86 HydrophobicContact CB-CG1 4.16Å; L35-V86 HydrophobicContact CB-CG2 4.12Å; L35-V86 HydrophobicContact CD1-CG1 4.3Å; L35-V86 HydrophobicContact CD1-CG2 4.49Å; L35-V86 HydrophobicContact CD2-CG1 4.07Å; L35-V86 HydrophobicContact CG-CG1 4.39Å; L35-V86 WeakPolarHBondContact O-CA 3.44Å; I74-V86 HydrophobicContact CD1-CG2 3.81Å; I74-V86 HydrophobicContact CG1-CG2 4.12Å; V86-V99 HydrophobicContact CB-CG2 3.7Å; V86-V99 HydrophobicContact CG1-CG2 3.98Å; V86-V99 HydrophobicContact CG2-CG2 3.66Å
87	H	98.8	Very high	98.4	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.046	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.4	-177.3	88	95.8	0	0	0	112.7	G15 A20 I34 L35 S36 V37 H38 L85	G15-H87 WeakPolarHBondContact O-CA 3.41Å; G15-H87 WeakPolarHBondContact O-CB 3.48Å; A20-H87 HydrophobicContact CB-CB 4.16Å; A20-H87 VanDerWaalsContact CB-CD2 3.46Å; A20-H87 WeakPolarHBondContact CB-CD2 3.42Å; A20-H87 VanDerWaalsContact CB-CG 3.48Å; I34-H87 VanDerWaalsContact CG2-CD2 3.48Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.47Å; L35-H87 PolarHBondContact O-N 3.14Å; S36-H87 VanDerWaalsContact CB-NE2 3.32Å; S36-H87 WeakPolarHBondContact CB-NE2 3.32Å; S36-H87 PolarHBondContact OG-CE1 3.01Å; S36-H87 VanDerWaalsContact OG-CE1 3.29Å; S36-H87 PolarHBondContact OG-NE2 3.03Å; V37-H87 WeakPolarHBondContact CG1-O 3.5Å; V37-H87 PolarHBondContact N-O 3.24Å; H38-H87 AromaticContact CD2-CE1 3.65Å; H38-H87 AromaticContact NE2-CE1 3.72Å; L85-H87 HydrophobicContact CG-CB 4.42Å
88	C	98.1	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.			trans	-126.7	-152.5	165.7	68	0	0	0	0	108.8	N16 F17 V37 G91 R94 S95	N16-C88 CarbonylContact C-O 3.59Å; F17-C88 PolarHBondContact N-O 3.27Å; F17-C88 VanDerWaalsContact N-O 3.13Å; V37-C88 HydrophobicContact CG1-CB 4.1Å; V37-C88 VanDerWaalsContact O-CA 3.32Å; V37-C88 WeakPolarHBondContact O-CA 3.37Å; V37-C88 WeakPolarHBondContact O-CB 3.49Å; C88-G91 VanDerWaalsContact SG-CA 3.59Å; C88-G91 PolarHBondContact SG-N 3.29Å; C88-R94 HydrophobicContact CB-CB 3.85Å; C88-S95 PolarHBondContact SG-OG 3.25Å; C88-S95 VanDerWaalsContact SG-OG 3.34Å
89	L	97.4	Very high	98.5	Very high	82 Å²	82	22.9 Å²	22.9	43%	0.429	13%	0.133	S	C	.	.	S	Bend	trans	-66.4	-54.2	175.3	-172.7	63.1	0	0	0	111.7	N16 F17	N16-L89 WeakPolarHBondContact CB-O 3.41Å; F17-L89 HydrophobicContact CB-CD1 4.35Å; F17-L89 HydrophobicContact CD1-CD1 3.87Å; F17-L89 HydrophobicContact CG-CD1 4.24Å; F17-L89 PolarHBondContact N-O 3.06Å; F17-L89 VanDerWaalsContact N-O 3.08Å
90	A	97.4	Very high	98.5	Very high	21 Å²	21	20.1 Å²	20.1	17%	0.174	12%	0.118	C	C	.	.	S	Bend	trans	-105.5	-12.6	-174.5	0	0	0	0	0	114.4	M1 V92 R122	M1-A90 HydrophobicContact CB-CB 4.49Å; M1-A90 HydrophobicContact CG-CB 4.06Å; A90-V92 HydrophobicContact CB-CB 4.26Å; A90-V92 HydrophobicContact CB-CG2 3.87Å; A90-R122 PolarHBondContact O-NH2 3.33Å; A90-R122 VanDerWaalsContact O-NH2 3.08Å
91	G	97.6	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	65.9	34.5	-170.3	0	0	0	0	0	113.2	G15 C88 S95 R122	G15-G91 WeakPolarHBondContact O-CA 3.29Å; C88-G91 VanDerWaalsContact SG-CA 3.59Å; C88-G91 PolarHBondContact SG-N 3.29Å; G91-S95 WeakPolarHBondContact CA-OG 3.24Å; G91-R122 PolarHBondContact O-NE 3.06Å
92	V	98.4	Very high	98.6	Very high	38 Å²	38	10.8 Å²	10.8	23%	0.23	6%	0.06	C	C	.	.	S	Bend	trans	-115.1	-44.4	-172	169.4	0	0	0	0	112.6	A90 V96 C124 N126	A90-V92 HydrophobicContact CB-CB 4.26Å; A90-V92 HydrophobicContact CB-CG2 3.87Å; V92-V96 WeakPolarHBondContact O-CB 3.49Å; V92-V96 VanDerWaalsContact O-CG2 3.22Å; V92-V96 WeakPolarHBondContact O-CG2 3.21Å; V92-C124 WeakPolarHBondContact CG1-O 3.42Å; V92-C124 HydrophobicContact CG2-CB 4.45Å; V92-N126 HydrophobicContact CG1-CB 4.09Å; V92-N126 CarbonylContact O-C 3.57Å; V92-N126 VanDerWaalsContact O-C 3.26Å; V92-N126 PolarHBondContact O-N 3.07Å
93	S	98.6	Very high	98.6	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.028	5%	0.05	C	C	.	.	S	Bend	trans	-121.7	-73.1	-167.7	168.2	0	0	0	0	113.1	D57 S95 V96 T97 N128 F131	D57-S93 VanDerWaalsContact OD1-CB 3.25Å; D57-S93 WeakPolarHBondContact OD1-CB 3.36Å; D57-S93 PolarHBondContact OD1-OG 2.72Å; D57-S93 WeakPolarHBondContact OD2-CB 3.15Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-V96 PolarHBondContact O-N 3Å; S93-T97 PolarHBondContact O-N 3.14Å; S93-T97 PolarHBondContact O-OG1 2.87Å; S93-N128 PolarHBondContact OG-N 3.13Å; S93-F131 VanDerWaalsContact OG-CD2 3.24Å; S93-F131 WeakPolarHBondContact OG-CD2 3.42Å; S93-F131 WeakPolarHBondContact OG-CE2 3.32Å
94	R	98.8	Very high	98.6	Very high	8 Å²	8	7.8 Å²	7.8	3%	0.03	5%	0.045	C	C	.	.	H	α-helix	trans	-52.5	-56.4	-178.9	-71.4	167.3	-82	-167.5	-5.4	114.4	V37 D39 A55 D57 L63 C88 V96 T97 L98 F131	V37-R94 HydrophobicContact CG1-CB 3.98Å; V37-R94 HydrophobicContact CG2-CB 4.03Å; D39-R94 IonicContact OD2-CZ 3.95Å; D39-R94 IonicContact OD2-NH1 3.71Å; D39-R94 PolarHBondContact OD2-NH1 3.02Å; A55-R94 VanDerWaalsContact O-CD 3.3Å; A55-R94 WeakPolarHBondContact O-CD 3.22Å; A55-R94 PolarHBondContact O-NH1 3.33Å; D57-R94 HydrophobicContact CB-CG 4.29Å; D57-R94 IonicContact OD2-NE 2.67Å; D57-R94 IonicContact OD2-NH2 3.25Å; L63-R94 HydrophobicContact CD1-CB 4.45Å; L63-R94 HydrophobicContact CD1-CG 4.44Å; C88-R94 HydrophobicContact CB-CB 3.85Å; R94-V96 VanDerWaalsContact C-N 3.34Å; R94-V96 PolarHBondContact O-N 2.9Å; R94-T97 WeakPolarHBondContact O-CB 3.43Å; R94-T97 PolarHBondContact O-N 2.93Å; R94-L98 PolarHBondContact O-N 3.35Å; R94-F131 HydrophobicContact CB-CE2 4.38Å; R94-F131 HydrophobicContact CG-CE2 3.64Å; R94-F131 HydrophobicContact CG-CZ 3.98Å
95	S	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.1	-40.2	-179.5	54.6	0	0	0	0	112.4	C88 G91 S93 T97 L98 V99	C88-S95 PolarHBondContact SG-OG 3.25Å; C88-S95 VanDerWaalsContact SG-OG 3.34Å; G91-S95 WeakPolarHBondContact CA-OG 3.24Å; S93-S95 PolarHBondContact O-N 2.87Å; S95-T97 VanDerWaalsContact C-N 3.3Å; S95-T97 PolarHBondContact O-N 3.03Å; S95-L98 PolarHBondContact O-N 3.49Å; S95-V99 WeakPolarHBondContact O-CG2 3.29Å; S95-V99 PolarHBondContact O-N 3.19Å; S95-V99 VanDerWaalsContact O-N 3.11Å
96	V	98.9	Very high	98.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-42.4	175.8	170	0	0	0	0	110.7	I14 V92 S93 R94 L98 V99 I100 L115 V118 A125 P127	I14-V96 HydrophobicContact CD1-CG2 3.97Å; I14-V96 HydrophobicContact CG2-CG2 4.35Å; V92-V96 WeakPolarHBondContact O-CB 3.49Å; V92-V96 VanDerWaalsContact O-CG2 3.22Å; V92-V96 WeakPolarHBondContact O-CG2 3.21Å; S93-V96 PolarHBondContact O-N 3Å; R94-V96 VanDerWaalsContact C-N 3.34Å; R94-V96 PolarHBondContact O-N 2.9Å; V96-L98 PolarHBondContact O-N 3.42Å; V96-V99 PolarHBondContact O-N 3Å; V96-I100 HydrophobicContact CG1-CD1 3.62Å; V96-I100 HydrophobicContact CG1-CG1 4.18Å; V96-I100 VanDerWaalsContact O-CG1 3.26Å; V96-I100 WeakPolarHBondContact O-CG1 3.35Å; V96-I100 PolarHBondContact O-N 2.98Å; V96-L115 HydrophobicContact CG1-CD1 4.17Å; V96-V118 HydrophobicContact CG1-CG1 4.08Å; V96-V118 HydrophobicContact CG2-CG1 4.28Å; V96-A125 HydrophobicContact CG1-CB 3.92Å; V96-A125 HydrophobicContact CG2-CB 3.79Å; V96-P127 HydrophobicContact CB-CG 4.48Å; V96-P127 HydrophobicContact CG1-CG 3.73Å
97	T	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59	-46.5	179.3	-55.4	0	0	0	0	111.7	L63 F67 S93 R94 S95 V99 I100 A101 F131 L135	L63-T97 HydrophobicContact CD1-CG2 4.04Å; F67-T97 HydrophobicContact CE1-CG2 4.12Å; F67-T97 HydrophobicContact CZ-CG2 4.16Å; S93-T97 PolarHBondContact O-N 3.14Å; S93-T97 PolarHBondContact O-OG1 2.87Å; R94-T97 WeakPolarHBondContact O-CB 3.43Å; R94-T97 PolarHBondContact O-N 2.93Å; S95-T97 VanDerWaalsContact C-N 3.3Å; S95-T97 PolarHBondContact O-N 3.03Å; T97-V99 PolarHBondContact O-N 3.06Å; T97-I100 PolarHBondContact O-N 2.84Å; T97-A101 PolarHBondContact O-N 3.44Å; T97-F131 HydrophobicContact CG2-CB 3.85Å; T97-F131 HydrophobicContact CG2-CG 4.19Å; T97-F131 WeakPolarHBondContact OG1-CB 3.46Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.4Å; T97-L135 HydrophobicContact CG2-CD1 4.06Å; T97-L135 HydrophobicContact CG2-CD2 4.2Å; T97-L135 HydrophobicContact CG2-CG 4.05Å
98	L	98.9	Very high	98.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-37.3	178.3	-60.8	-178.8	0	0	0	112.2	L35 V37 I53 L63 F67 R94 S95 V96 Y102	L35-L98 HydrophobicContact CD1-CD1 4.16Å; L35-L98 HydrophobicContact CD2-CD1 3.63Å; V37-L98 HydrophobicContact CB-CD1 3.98Å; V37-L98 HydrophobicContact CG1-CD1 3.88Å; V37-L98 HydrophobicContact CG2-CD1 4.11Å; I53-L98 HydrophobicContact CD1-CD1 4.12Å; L63-L98 HydrophobicContact CB-CD2 4.49Å; F67-L98 HydrophobicContact CD1-CD2 3.78Å; F67-L98 HydrophobicContact CE1-CD2 3.95Å; R94-L98 PolarHBondContact O-N 3.35Å; S95-L98 PolarHBondContact O-N 3.49Å; V96-L98 PolarHBondContact O-N 3.42Å; L98-Y102 PolarHBondContact O-N 2.85Å
99	V	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.6	-36.2	175.8	172.1	0	0	0	0	112.1	I8 L12 I14 V86 S95 V96 T97 Y102 I103 V118	I8-V99 HydrophobicContact CG2-CG1 4.2Å; L12-V99 HydrophobicContact CD1-CG2 4.45Å; L12-V99 HydrophobicContact CD2-CG1 4Å; I14-V99 HydrophobicContact CD1-CB 3.83Å; I14-V99 HydrophobicContact CD1-CG1 3.94Å; I14-V99 HydrophobicContact CD1-CG2 3.82Å; I14-V99 HydrophobicContact CG1-CB 4.34Å; I14-V99 HydrophobicContact CG1-CG1 4.46Å; I14-V99 HydrophobicContact CG1-CG2 3.78Å; V86-V99 HydrophobicContact CB-CG2 3.7Å; V86-V99 HydrophobicContact CG1-CG2 3.98Å; V86-V99 HydrophobicContact CG2-CG2 3.66Å; S95-V99 WeakPolarHBondContact O-CG2 3.29Å; S95-V99 PolarHBondContact O-N 3.19Å; S95-V99 VanDerWaalsContact O-N 3.11Å; V96-V99 PolarHBondContact O-N 3Å; T97-V99 PolarHBondContact O-N 3.06Å; V99-Y102 WeakPolarHBondContact O-CB 3.48Å; V99-Y102 PolarHBondContact O-N 3.24Å; V99-I103 HydrophobicContact CG1-CD1 3.84Å; V99-I103 HydrophobicContact CG1-CG1 4.33Å; V99-I103 WeakPolarHBondContact O-CG1 3.41Å; V99-I103 PolarHBondContact O-N 3.14Å; V99-V118 HydrophobicContact CG1-CG2 3.9Å
100	I	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-49.3	174	-70.3	166.5	0	0	0	109.9	V96 T97 Y102 I103 M104 W111 A114 L115 V118 P127 L135	V96-I100 HydrophobicContact CG1-CD1 3.62Å; V96-I100 HydrophobicContact CG1-CG1 4.18Å; V96-I100 VanDerWaalsContact O-CG1 3.26Å; V96-I100 WeakPolarHBondContact O-CG1 3.35Å; V96-I100 PolarHBondContact O-N 2.98Å; T97-I100 PolarHBondContact O-N 2.84Å; I100-Y102 PolarHBondContact O-N 3.25Å; I100-I103 PolarHBondContact O-N 2.97Å; I100-I103 VanDerWaalsContact O-N 3.13Å; I100-M104 HydrophobicContact CG2-CG 4.17Å; I100-M104 HydrophobicContact CG2-SD 3.72Å; I100-M104 WeakPolarHBondContact O-CB 3.23Å; I100-M104 VanDerWaalsContact O-CG 3.24Å; I100-M104 WeakPolarHBondContact O-CG 3.26Å; I100-M104 PolarHBondContact O-N 2.94Å; I100-W111 HydrophobicContact CG2-CB 4.21Å; I100-A114 HydrophobicContact CG2-CB 3.79Å; I100-L115 HydrophobicContact CD1-CB 3.8Å; I100-L115 HydrophobicContact CD1-CD1 3.77Å; I100-L115 HydrophobicContact CD1-CG 4.31Å; I100-L115 HydrophobicContact CG1-CB 4.4Å; I100-V118 HydrophobicContact CG1-CG2 4.01Å; I100-P127 HydrophobicContact CD1-CG 3.73Å; I100-L135 HydrophobicContact CB-CD1 4.18Å; I100-L135 HydrophobicContact CB-CD2 4.17Å; I100-L135 HydrophobicContact CD1-CD1 3.95Å; I100-L135 HydrophobicContact CG2-CD1 3.85Å; I100-L135 HydrophobicContact CG2-CD2 3.75Å; I100-L135 HydrophobicContact CG2-CG 4.37Å
101	A	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.7	-38	177	0	0	0	0	0	112	F67 T97 T105 L135 F138	F67-A101 HydrophobicContact CB-CB 4.46Å; F67-A101 HydrophobicContact CD1-CB 3.92Å; F67-A101 HydrophobicContact CD2-CB 3.72Å; F67-A101 HydrophobicContact CE1-CB 4.01Å; F67-A101 HydrophobicContact CE2-CB 3.8Å; F67-A101 HydrophobicContact CG-CB 3.78Å; F67-A101 HydrophobicContact CZ-CB 3.95Å; T97-A101 PolarHBondContact O-N 3.44Å; A101-T105 WeakPolarHBondContact O-CB 3.37Å; A101-T105 PolarHBondContact O-N 2.8Å; A101-T105 PolarHBondContact O-OG1 3.31Å; A101-L135 HydrophobicContact CB-CD2 4.23Å; A101-F138 HydrophobicContact CB-CE1 4.27Å
102	Y	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-53.2	172.1	178.3	-99.2	0	0	0	112.7	L12 I71 I74 H75 R78 L98 V99 I100 M104 T105 V106	L12-Y102 HydrophobicContact CD2-CD1 3.61Å; L12-Y102 HydrophobicContact CD2-CE1 3.84Å; I71-Y102 HydrophobicContact CB-CD2 4.33Å; I71-Y102 HydrophobicContact CG1-CD2 4.29Å; I71-Y102 HydrophobicContact CG2-CD2 4.03Å; I71-Y102 HydrophobicContact CG2-CE2 4.45Å; I74-Y102 HydrophobicContact CB-CD2 3.92Å; I74-Y102 HydrophobicContact CB-CE2 4.01Å; I74-Y102 HydrophobicContact CB-CG 4.34Å; I74-Y102 HydrophobicContact CD1-CD2 4.44Å; I74-Y102 HydrophobicContact CD1-CG 4.24Å; I74-Y102 HydrophobicContact CG2-CD1 3.91Å; I74-Y102 HydrophobicContact CG2-CD2 3.79Å; I74-Y102 HydrophobicContact CG2-CE1 3.8Å; I74-Y102 HydrophobicContact CG2-CE2 3.67Å; I74-Y102 HydrophobicContact CG2-CG 3.92Å; H75-Y102 HydrophobicContact CB-CE2 3.89Å; H75-Y102 AromaticContact ND1-CE2 3.77Å; H75-Y102 AromaticContact ND1-CZ 3.87Å; H75-Y102 PolarHBondContact ND1-OH 3Å; R78-Y102 PolarHBondContact NH1-OH 3.26Å; L98-Y102 PolarHBondContact O-N 2.85Å; V99-Y102 WeakPolarHBondContact O-CB 3.48Å; V99-Y102 PolarHBondContact O-N 3.24Å; I100-Y102 PolarHBondContact O-N 3.25Å; Y102-M104 PolarHBondContact O-N 3.2Å; Y102-T105 WeakPolarHBondContact O-CB 3.46Å; Y102-T105 PolarHBondContact O-N 2.83Å; Y102-V106 HydrophobicContact CD1-CG2 4.4Å; Y102-V106 HydrophobicContact CD2-CG1 4.39Å; Y102-V106 HydrophobicContact CE1-CG1 4.15Å; Y102-V106 HydrophobicContact CE1-CG2 3.98Å; Y102-V106 HydrophobicContact CE2-CG1 3.75Å; Y102-V106 WeakPolarHBondContact O-CG2 3.4Å; Y102-V106 PolarHBondContact O-N 3.22Å
103	I	98.9	Very high	98.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-47.9	179.4	-68	166.3	0	0	0	110.7	I8 L9 V99 I100 T105 V106 T107 F109 A114 T117 V118	I8-I103 HydrophobicContact CG2-CD1 3.86Å; L9-I103 HydrophobicContact CD1-CG1 4.1Å; V99-I103 HydrophobicContact CG1-CD1 3.84Å; V99-I103 HydrophobicContact CG1-CG1 4.33Å; V99-I103 WeakPolarHBondContact O-CG1 3.41Å; V99-I103 PolarHBondContact O-N 3.14Å; I100-I103 PolarHBondContact O-N 2.97Å; I100-I103 VanDerWaalsContact O-N 3.13Å; I103-T105 PolarHBondContact O-N 3.34Å; I103-T105 VanDerWaalsContact O-N 3.14Å; I103-V106 PolarHBondContact O-N 3.05Å; I103-T107 HydrophobicContact CG2-CG2 4.31Å; I103-T107 WeakPolarHBondContact O-CG2 3.17Å; I103-T107 PolarHBondContact O-N 3.35Å; I103-T107 PolarHBondContact O-OG1 3.07Å; I103-F109 HydrophobicContact CG2-CD2 4.35Å; I103-A114 HydrophobicContact CB-CB 3.99Å; I103-A114 HydrophobicContact CG2-CB 3.69Å; I103-T117 HydrophobicContact CD1-CG2 4.25Å; I103-V118 HydrophobicContact CD1-CG2 3.64Å
104	M	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-55.6	-32.2	176.6	-69	169.7	70.9	0	0	112.8	I100 Y102 W111 A114 L135 F138 E139 V143 R147	I100-M104 HydrophobicContact CG2-CG 4.17Å; I100-M104 HydrophobicContact CG2-SD 3.72Å; I100-M104 WeakPolarHBondContact O-CB 3.23Å; I100-M104 VanDerWaalsContact O-CG 3.24Å; I100-M104 WeakPolarHBondContact O-CG 3.26Å; I100-M104 PolarHBondContact O-N 2.94Å; Y102-M104 PolarHBondContact O-N 3.2Å; M104-W111 HydrophobicContact CE-CB 3.93Å; M104-W111 VanDerWaalsContact SD-CA 3.55Å; M104-W111 HydrophobicContact SD-CB 3.62Å; M104-A114 HydrophobicContact CG-CB 3.74Å; M104-L135 HydrophobicContact SD-CD2 4.14Å; M104-F138 HydrophobicContact CB-CE1 4.32Å; M104-F138 HydrophobicContact CE-CD1 3.62Å; M104-F138 HydrophobicContact CE-CE1 4.11Å; M104-F138 HydrophobicContact SD-CD1 4Å; M104-F138 HydrophobicContact SD-CE1 4.31Å; M104-E139 HydrophobicContact CE-CB 3.58Å; M104-E139 HydrophobicContact CE-CG 4.16Å; M104-V143 HydrophobicContact CB-CG2 3.94Å; M104-V143 HydrophobicContact CE-CG2 4.31Å; M104-R147 PolarHBondContact O-NE 3.29Å; M104-R147 PolarHBondContact O-NH2 3Å
105	T	98.8	Very high	98.6	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-82	-34.6	-178.1	-56.1	0	0	0	0	112.4	I71 A101 Y102 I103 R147 L150	I71-T105 HydrophobicContact CD1-CG2 4.41Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.19Å; I71-T105 HydrophobicContact CG2-CG2 4.29Å; A101-T105 WeakPolarHBondContact O-CB 3.37Å; A101-T105 PolarHBondContact O-N 2.8Å; A101-T105 PolarHBondContact O-OG1 3.31Å; Y102-T105 WeakPolarHBondContact O-CB 3.46Å; Y102-T105 PolarHBondContact O-N 2.83Å; I103-T105 PolarHBondContact O-N 3.34Å; I103-T105 VanDerWaalsContact O-N 3.14Å; T105-R147 WeakPolarHBondContact O-CG 3.26Å; T105-L150 HydrophobicContact CG2-CB 4.27Å; T105-L150 HydrophobicContact CG2-CD2 4.23Å
106	V	98.4	Very high	98.4	Very high	26 Å²	26	18.4 Å²	18.4	16%	0.158	10%	0.097	C	C	.	.	H	α-helix	trans	-89	-6	178.5	-60.2	0	0	0	0	113.8	Y102 I103 L150 D161	Y102-V106 HydrophobicContact CD1-CG2 4.4Å; Y102-V106 HydrophobicContact CD2-CG1 4.39Å; Y102-V106 HydrophobicContact CE1-CG1 4.15Å; Y102-V106 HydrophobicContact CE1-CG2 3.98Å; Y102-V106 HydrophobicContact CE2-CG1 3.75Å; Y102-V106 WeakPolarHBondContact O-CG2 3.4Å; Y102-V106 PolarHBondContact O-N 3.22Å; I103-V106 PolarHBondContact O-N 3.05Å; V106-L150 HydrophobicContact CG1-CD2 3.75Å; V106-D161 HydrophobicContact CB-CB 4.13Å; V106-D161 HydrophobicContact CG2-CB 3.78Å
107	T	98.1	Very high	98.4	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	10%	0.097	C	C	.	.	S	Bend	trans	-126.8	-177.3	174.8	75.7	0	0	0	0	111.4	I103 F109 R147 D161 A162 A165	I103-T107 HydrophobicContact CG2-CG2 4.31Å; I103-T107 WeakPolarHBondContact O-CG2 3.17Å; I103-T107 PolarHBondContact O-N 3.35Å; I103-T107 PolarHBondContact O-OG1 3.07Å; T107-F109 VanDerWaalsContact C-N 3.33Å; T107-F109 VanDerWaalsContact OG1-CB 3.23Å; T107-F109 WeakPolarHBondContact OG1-CB 3.43Å; T107-F109 VanDerWaalsContact OG1-CG 3.26Å; T107-F109 WeakPolarHBondContact OG1-CG 3.14Å; T107-F109 PolarHBondContact OG1-N 3.39Å; T107-R147 VanDerWaalsContact O-CZ 3.23Å; T107-R147 PolarHBondContact O-NE 3.43Å; T107-R147 PolarHBondContact O-NH2 3.48Å; T107-R147 VanDerWaalsContact O-NH2 3.09Å; T107-D161 HydrophobicContact CG2-CB 4.39Å; T107-A162 HydrophobicContact CG2-CB 4.31Å; T107-A165 HydrophobicContact CG2-CB 4.25Å
108	D	97.1	Very high	98.3	Very high	101 Å²	101	18.4 Å²	18.4	54%	0.54	10%	0.097	S	C	.	.	S	Bend	trans	-88.4	3.9	169.8	56.2	-11	0	0	0	113.4	R147 K166	D108-R147 PolarHBondContact O-NH2 3.19Å; D108-K166 IonicContact OD2-NZ 3.22Å
109	F	98.3	Very high	98.2	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.066	11%	0.108	C	C	.	.			trans	-71.1	147.5	-171.9	-68.3	3.9	0	0	0	113.7	I103 T107 D113 R147 A165 K166 L169	I103-F109 HydrophobicContact CG2-CD2 4.35Å; T107-F109 VanDerWaalsContact C-N 3.33Å; T107-F109 VanDerWaalsContact OG1-CB 3.23Å; T107-F109 WeakPolarHBondContact OG1-CB 3.43Å; T107-F109 VanDerWaalsContact OG1-CG 3.26Å; T107-F109 WeakPolarHBondContact OG1-CG 3.14Å; T107-F109 PolarHBondContact OG1-N 3.39Å; F109-D113 HydrophobicContact CB-CB 3.97Å; F109-D113 HydrophobicContact CD2-CB 3.85Å; F109-D113 HydrophobicContact CE2-CB 4.46Å; F109-D113 HydrophobicContact CG-CB 3.92Å; F109-R147 PolarHBondContact O-NH2 2.75Å; F109-A165 HydrophobicContact CD2-CB 4.32Å; F109-A165 HydrophobicContact CE2-CB 3.46Å; F109-A165 VanDerWaalsContact CE2-CB 3.46Å; F109-A165 HydrophobicContact CZ-CB 3.76Å; F109-K166 HydrophobicContact CE1-CG 4Å; F109-K166 HydrophobicContact CZ-CG 3.88Å; F109-L169 HydrophobicContact CD2-CD1 4.35Å; F109-L169 HydrophobicContact CE2-CD1 3.5Å; F109-L169 VanDerWaalsContact CE2-CD1 3.5Å; F109-L169 HydrophobicContact CE2-CG 4.38Å; F109-L169 HydrophobicContact CZ-CD1 3.68Å
110	G	98.4	Very high	98.1	Very high	15 Å²	15	23.6 Å²	23.6	16%	0.155	13%	0.126	C	C	.	.			trans	-75.7	174	159.9	0	0	0	0	0	112.2	E112 D113 A114 E139	G110-E112 VanDerWaalsContact C-N 3.28Å; G110-E112 PolarHBondContact O-N 3.13Å; G110-D113 PolarHBondContact O-N 3.45Å; G110-A114 WeakPolarHBondContact O-CB 3.41Å; G110-A114 PolarHBondContact O-N 3.43Å; G110-E139 VanDerWaalsContact CA-CD 3.44Å; G110-E139 WeakPolarHBondContact CA-OE2 3.49Å
111	W	98.6	Very high	97.8	Very high	22 Å²	22	24.9 Å²	24.9	8%	0.083	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-32.5	-176.4	78.6	-87.6	0	0	0	112.5	I100 M104 L115 Q132 L135 Q136 E139	I100-W111 HydrophobicContact CG2-CB 4.21Å; M104-W111 HydrophobicContact CE-CB 3.93Å; M104-W111 VanDerWaalsContact SD-CA 3.55Å; M104-W111 HydrophobicContact SD-CB 3.62Å; W111-L115 HydrophobicContact CE3-CD2 4.43Å; W111-L115 HydrophobicContact CZ3-CD2 3.82Å; W111-L115 VanDerWaalsContact O-CB 3.31Å; W111-L115 WeakPolarHBondContact O-CB 3.46Å; W111-L115 PolarHBondContact O-N 2.98Å; W111-Q132 HydrophobicContact CH2-CB 4.33Å; W111-Q132 HydrophobicContact CH2-CG 4.29Å; W111-Q132 HydrophobicContact CZ3-CB 4.3Å; W111-Q132 HydrophobicContact CZ3-CG 4Å; W111-L135 HydrophobicContact CB-CB 3.77Å; W111-L135 HydrophobicContact CD2-CB 4.48Å; W111-L135 HydrophobicContact CE3-CD1 4.48Å; W111-L135 HydrophobicContact CG-CB 4.11Å; W111-Q136 HydrophobicContact CD2-CG 4.38Å; W111-Q136 HydrophobicContact CG-CG 4.41Å; W111-Q136 HydrophobicContact CZ2-CG 4.17Å; W111-Q136 VanDerWaalsContact CZ2-NE2 3.33Å; W111-E139 PolarHBondContact N-OE2 2.89Å
112	E	98.1	Very high	97.7	Very high	94 Å²	94	25 Å²	25	44%	0.439	14%	0.14	S	C	.	.	H	α-helix	trans	-65.9	-54	177.3	-70.2	-171.2	-146.1	0	0	110.6	G110 A114 L115 H116	G110-E112 VanDerWaalsContact C-N 3.28Å; G110-E112 PolarHBondContact O-N 3.13Å; E112-A114 VanDerWaalsContact C-N 3.28Å; E112-A114 PolarHBondContact O-N 2.86Å; E112-L115 CarbonylContact O-C 3.58Å; E112-L115 WeakPolarHBondContact O-CA 3.38Å; E112-L115 WeakPolarHBondContact O-CB 3.3Å; E112-L115 PolarHBondContact O-N 3.45Å; E112-H116 VanDerWaalsContact C-ND1 3.3Å; E112-H116 PolarHBondContact O-N 3.24Å; E112-H116 PolarHBondContact O-ND1 3.49Å
113	D	98	Very high	97.6	Very high	63 Å²	63	30.2 Å²	30.2	34%	0.337	18%	0.176	S	C	.	.	H	α-helix	trans	-60.2	-40.5	179.2	-70	-29.7	0	0	0	111.2	F109 G110 L115 H116 T117 L169	F109-D113 HydrophobicContact CB-CB 3.97Å; F109-D113 HydrophobicContact CD2-CB 3.85Å; F109-D113 HydrophobicContact CE2-CB 4.46Å; F109-D113 HydrophobicContact CG-CB 3.92Å; G110-D113 PolarHBondContact O-N 3.45Å; D113-L115 PolarHBondContact O-N 3.33Å; D113-H116 WeakPolarHBondContact O-CB 3Å; D113-H116 PolarHBondContact O-N 3.47Å; D113-H116 VanDerWaalsContact O-N 3.16Å; D113-T117 PolarHBondContact O-N 3.44Å; D113-T117 PolarHBondContact O-OG1 2.84Å; D113-T117 VanDerWaalsContact O-OG1 3.12Å; D113-L169 HydrophobicContact CB-CD1 4.28Å
114	A	98.5	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-40.4	172.9	0	0	0	0	0	112.8	I100 I103 M104 G110 E112 H116 T117 V118	I100-A114 HydrophobicContact CG2-CB 3.79Å; I103-A114 HydrophobicContact CB-CB 3.99Å; I103-A114 HydrophobicContact CG2-CB 3.69Å; M104-A114 HydrophobicContact CG-CB 3.74Å; G110-A114 WeakPolarHBondContact O-CB 3.41Å; G110-A114 PolarHBondContact O-N 3.43Å; E112-A114 VanDerWaalsContact C-N 3.28Å; E112-A114 PolarHBondContact O-N 2.86Å; A114-H116 VanDerWaalsContact C-N 3.32Å; A114-H116 PolarHBondContact O-N 3.34Å; A114-T117 WeakPolarHBondContact O-CB 3.3Å; A114-T117 PolarHBondContact O-N 3.32Å; A114-V118 WeakPolarHBondContact O-CG2 3.32Å; A114-V118 PolarHBondContact O-N 3.43Å
115	L	98.4	Very high	97.4	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-38.6	171.9	174	60.5	0	0	0	111.5	V96 I100 W111 E112 D113 V118 R119 A125 P127	V96-L115 HydrophobicContact CG1-CD1 4.17Å; I100-L115 HydrophobicContact CD1-CB 3.8Å; I100-L115 HydrophobicContact CD1-CD1 3.77Å; I100-L115 HydrophobicContact CD1-CG 4.31Å; I100-L115 HydrophobicContact CG1-CB 4.4Å; W111-L115 HydrophobicContact CE3-CD2 4.43Å; W111-L115 HydrophobicContact CZ3-CD2 3.82Å; W111-L115 VanDerWaalsContact O-CB 3.31Å; W111-L115 WeakPolarHBondContact O-CB 3.46Å; W111-L115 PolarHBondContact O-N 2.98Å; E112-L115 CarbonylContact O-C 3.58Å; E112-L115 WeakPolarHBondContact O-CA 3.38Å; E112-L115 WeakPolarHBondContact O-CB 3.3Å; E112-L115 PolarHBondContact O-N 3.45Å; D113-L115 PolarHBondContact O-N 3.33Å; L115-V118 PolarHBondContact O-N 3.29Å; L115-R119 HydrophobicContact CD1-CG 4.15Å; L115-R119 HydrophobicContact CG-CG 4.47Å; L115-R119 WeakPolarHBondContact O-CB 3.41Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.18Å; L115-A125 HydrophobicContact CD1-CB 4.3Å; L115-P127 HydrophobicContact CD1-CG 4.35Å
116	H	96.1	Very high	97.4	Very high	27 Å²	27	36 Å²	36	13%	0.125	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175.3	-68.5	100.7	0	0	0	111.2	E112 D113 A114 V118 R119 A120 L169 W178	E112-H116 VanDerWaalsContact C-ND1 3.3Å; E112-H116 PolarHBondContact O-N 3.24Å; E112-H116 PolarHBondContact O-ND1 3.49Å; D113-H116 WeakPolarHBondContact O-CB 3Å; D113-H116 PolarHBondContact O-N 3.47Å; D113-H116 VanDerWaalsContact O-N 3.16Å; A114-H116 VanDerWaalsContact C-N 3.32Å; A114-H116 PolarHBondContact O-N 3.34Å; H116-V118 VanDerWaalsContact C-N 3.3Å; H116-V118 PolarHBondContact O-N 3.37Å; H116-R119 PolarHBondContact O-N 3.48Å; H116-A120 PolarHBondContact O-N 3.33Å; H116-L169 HydrophobicContact CB-CD2 3.55Å; H116-W178 AromaticContact CD2-CE3 3.8Å; H116-W178 AromaticContact CD2-CH2 3.93Å; H116-W178 AromaticContact CD2-CZ3 3.71Å; H116-W178 AromaticContact NE2-CE3 3.54Å; H116-W178 AromaticContact NE2-CZ3 3.47Å; H116-W178 WeakPolarHBondContact NE2-CZ3 3.39Å
117	T	97.4	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-44.7	172.3	-54.4	0	0	0	0	111.1	I103 D113 A114 A120 A165 I168	I103-T117 HydrophobicContact CD1-CG2 4.25Å; D113-T117 PolarHBondContact O-N 3.44Å; D113-T117 PolarHBondContact O-OG1 2.84Å; D113-T117 VanDerWaalsContact O-OG1 3.12Å; A114-T117 WeakPolarHBondContact O-CB 3.3Å; A114-T117 PolarHBondContact O-N 3.32Å; T117-A120 PolarHBondContact O-N 2.88Å; T117-A165 HydrophobicContact CG2-CB 4.15Å; T117-I168 HydrophobicContact CG2-CD1 4.06Å; T117-I168 HydrophobicContact CG2-CG2 4.31Å
118	V	98.3	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-43.3	176.4	178.9	0	0	0	0	111.8	I8 I14 V96 V99 I100 I103 A114 L115 H116 A120 G121 R122 A125	I8-V118 HydrophobicContact CD1-CG1 4.13Å; I8-V118 HydrophobicContact CG2-CG2 4.08Å; I14-V118 HydrophobicContact CD1-CG1 3.58Å; V96-V118 HydrophobicContact CG1-CG1 4.08Å; V96-V118 HydrophobicContact CG2-CG1 4.28Å; V99-V118 HydrophobicContact CG1-CG2 3.9Å; I100-V118 HydrophobicContact CG1-CG2 4.01Å; I103-V118 HydrophobicContact CD1-CG2 3.64Å; A114-V118 WeakPolarHBondContact O-CG2 3.32Å; A114-V118 PolarHBondContact O-N 3.43Å; L115-V118 PolarHBondContact O-N 3.29Å; H116-V118 VanDerWaalsContact C-N 3.3Å; H116-V118 PolarHBondContact O-N 3.37Å; V118-A120 VanDerWaalsContact C-N 3.28Å; V118-A120 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 3.45Å; V118-R122 PolarHBondContact O-N 3.24Å; V118-A125 HydrophobicContact CG1-CB 3.68Å
119	R	97.2	Very high	97.4	Very high	65 Å²	65	35.1 Å²	35.1	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-31.1	-179.5	-80.6	179.2	171.7	164.2	-1.7	113.1	L115 H116 G121 R122 S123 A125 N126	L115-R119 HydrophobicContact CD1-CG 4.15Å; L115-R119 HydrophobicContact CG-CG 4.47Å; L115-R119 WeakPolarHBondContact O-CB 3.41Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.18Å; H116-R119 PolarHBondContact O-N 3.48Å; R119-G121 VanDerWaalsContact C-N 3.32Å; R119-G121 PolarHBondContact O-N 3.01Å; R119-R122 CarbonylContact O-C 3.26Å; R119-R122 VanDerWaalsContact O-C 3.31Å; R119-R122 PolarHBondContact O-N 3.39Å; R119-S123 VanDerWaalsContact O-CA 3.31Å; R119-S123 WeakPolarHBondContact O-CA 3.49Å; R119-S123 PolarHBondContact O-N 3.12Å; R119-S123 VanDerWaalsContact O-N 3.15Å; R119-A125 HydrophobicContact CG-CB 3.94Å; R119-A125 PolarHBondContact NE-O 3.15Å; R119-A125 PolarHBondContact NH2-O 3.14Å; R119-N126 PolarHBondContact NH2-OD1 3.5Å
120	A	95.3	Very high	97.5	Very high	45 Å²	45	34.8 Å²	34.8	37%	0.372	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-40	174.6	0	0	0	0	0	112.2	H116 T117 V118 I168 I174	H116-A120 PolarHBondContact O-N 3.33Å; T117-A120 PolarHBondContact O-N 2.88Å; V118-A120 VanDerWaalsContact C-N 3.28Å; V118-A120 PolarHBondContact O-N 3.44Å; A120-I168 HydrophobicContact CB-CG2 3.3Å; A120-I174 HydrophobicContact CB-CD1 3.58Å
121	G	94.1	Very high	97.5	Very high	27 Å²	27	34.1 Å²	34.1	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-82.3	-35.8	173.5	0	0	0	0	0	113.5	N6 V118 R119	N6-G121 WeakPolarHBondContact CB-O 3.39Å; V118-G121 PolarHBondContact O-N 3.45Å; R119-G121 VanDerWaalsContact C-N 3.32Å; R119-G121 PolarHBondContact O-N 3.01Å
122	R	96.7	Very high	97.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.008	21%	0.207	C	C	.	.			trans	-138.4	88.2	-174.8	-171.4	168.3	-178.1	92	-6.7	111.3	M1 G4 N6 I8 I14 A90 G91 V118 R119 C124 A125	M1-R122 PolarHBondContact O-NH2 3.49Å; G4-R122 PolarHBondContact O-NH1 2.85Å; N6-R122 HydrophobicContact CB-CB 4.12Å; N6-R122 WeakPolarHBondContact OD1-CG 3.12Å; N6-R122 PolarHBondContact OD1-NH1 3.49Å; I8-R122 HydrophobicContact CD1-CB 4.08Å; I14-R122 VanDerWaalsContact CG2-CD 3.47Å; A90-R122 PolarHBondContact O-NH2 3.33Å; A90-R122 VanDerWaalsContact O-NH2 3.08Å; G91-R122 PolarHBondContact O-NE 3.06Å; V118-R122 PolarHBondContact O-N 3.24Å; R119-R122 CarbonylContact O-C 3.26Å; R119-R122 VanDerWaalsContact O-C 3.31Å; R119-R122 PolarHBondContact O-N 3.39Å; R122-C124 PolarHBondContact O-N 2.91Å; R122-A125 WeakPolarHBondContact O-CB 3.41Å; R122-A125 PolarHBondContact O-N 2.92Å
123	S	95.8	Very high	97.5	Very high	110 Å²	110	39.1 Å²	39.1	77%	0.769	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.2	-174.1	59.7	0	0	0	0	115.4	R119 A125	R119-S123 VanDerWaalsContact O-CA 3.31Å; R119-S123 WeakPolarHBondContact O-CA 3.49Å; R119-S123 PolarHBondContact O-N 3.12Å; R119-S123 VanDerWaalsContact O-N 3.15Å; S123-A125 PolarHBondContact O-N 3.37Å
124	C	95.6	Very high	97.6	Very high	42 Å²	42	37.5 Å²	37.5	28%	0.284	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	1.4	177.4	69.1	0	0	0	0	114.7	V92 R122 N126	V92-C124 WeakPolarHBondContact CG1-O 3.42Å; V92-C124 HydrophobicContact CG2-CB 4.45Å; R122-C124 PolarHBondContact O-N 2.91Å; C124-N126 PolarHBondContact O-N 3.49Å
125	A	98.3	Very high	97.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	21%	0.208	C	C	.	.			trans	-63.9	121.3	179.1	0	0	0	0	0	112.1	V96 L115 V118 R119 R122 S123	V96-A125 HydrophobicContact CG1-CB 3.92Å; V96-A125 HydrophobicContact CG2-CB 3.79Å; L115-A125 HydrophobicContact CD1-CB 4.3Å; V118-A125 HydrophobicContact CG1-CB 3.68Å; R119-A125 HydrophobicContact CG-CB 3.94Å; R119-A125 PolarHBondContact NE-O 3.15Å; R119-A125 PolarHBondContact NH2-O 3.14Å; R122-A125 WeakPolarHBondContact O-CB 3.41Å; R122-A125 PolarHBondContact O-N 2.92Å; S123-A125 PolarHBondContact O-N 3.37Å
126	N	98.1	Very high	97.6	Very high	84 Å²	84	40.9 Å²	40.9	45%	0.449	22%	0.224	S	C	.	.			trans	-159.4	87	-178.7	-163.7	36.1	0	0	0	110.3	V92 R119 C124	V92-N126 HydrophobicContact CG1-CB 4.09Å; V92-N126 CarbonylContact O-C 3.57Å; V92-N126 VanDerWaalsContact O-C 3.26Å; V92-N126 PolarHBondContact O-N 3.07Å; R119-N126 PolarHBondContact NH2-OD1 3.5Å; C124-N126 PolarHBondContact O-N 3.49Å
127	P	98.6	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	24%	0.24	C	C	.	.			trans	-51.4	141.4	170.6	-25.3	35.6	0	0	0	111.4	V96 I100 L115 F131 Q132	V96-P127 HydrophobicContact CB-CG 4.48Å; V96-P127 HydrophobicContact CG1-CG 3.73Å; I100-P127 HydrophobicContact CD1-CG 3.73Å; L115-P127 HydrophobicContact CD1-CG 4.35Å; P127-F131 HydrophobicContact CB-CB 4.07Å; P127-Q132 HydrophobicContact CB-CG 4Å; P127-Q132 PolarHBondContact O-NE2 3.44Å
128	N	98.6	Very high	97.8	Very high	28 Å²	28	44.2 Å²	44.2	15%	0.15	24%	0.24	C	C	.	.			trans	-62.8	160.9	172	78	51.8	0	0	0	110.7	D57 S93 G130 F131 Q132	D57-N128 PolarHBondContact OD1-ND2 3.06Å; S93-N128 PolarHBondContact OG-N 3.13Å; N128-G130 PolarHBondContact O-N 3.43Å; N128-G130 VanDerWaalsContact O-N 3.17Å; N128-G130 WeakPolarHBondContact OD1-CA 3.42Å; N128-G130 PolarHBondContact OD1-N 3.48Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.26Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.39Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.4Å; N128-F131 PolarHBondContact O-N 2.9Å; N128-F131 PolarHBondContact OD1-N 3.42Å; N128-Q132 PolarHBondContact O-N 3.33Å
129	V	98.3	Very high	97.8	Very high	89 Å²	89	47.8 Å²	47.8	54%	0.539	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-29.6	-173.8	-64.1	0	0	0	0	114.1	P59 R133	P59-V129 HydrophobicContact CG-CG2 4.23Å; V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 3.04Å; V129-R133 VanDerWaalsContact O-N 3.13Å
130	G	98.8	Very high	97.9	Very high	9 Å²	9	51.5 Å²	51.5	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-72.3	-37.8	175.9	0	0	0	0	0	112	N128 R133 Q134	N128-G130 PolarHBondContact O-N 3.43Å; N128-G130 VanDerWaalsContact O-N 3.17Å; N128-G130 WeakPolarHBondContact OD1-CA 3.42Å; N128-G130 PolarHBondContact OD1-N 3.48Å; G130-R133 PolarHBondContact O-N 2.95Å; G130-Q134 WeakPolarHBondContact O-CG 3.43Å; G130-Q134 PolarHBondContact O-N 3.21Å
131	F	98.8	Very high	98.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-35.5	173.5	-62.7	-20	0	0	0	112.6	D57 Q61 L63 S93 R94 T97 P127 N128 R133 Q134 L135	D57-F131 WeakPolarHBondContact OD1-CE2 3.4Å; Q61-F131 HydrophobicContact CB-CE1 3.95Å; Q61-F131 HydrophobicContact CB-CZ 4.13Å; Q61-F131 HydrophobicContact CG-CE1 4.23Å; Q61-F131 HydrophobicContact CG-CZ 4.28Å; Q61-F131 WeakPolarHBondContact O-CE1 3.42Å; L63-F131 HydrophobicContact CB-CE1 4.43Å; L63-F131 HydrophobicContact CD1-CD1 3.88Å; L63-F131 HydrophobicContact CD1-CD2 3.96Å; L63-F131 HydrophobicContact CD1-CE1 3.58Å; L63-F131 HydrophobicContact CD1-CE2 3.66Å; L63-F131 HydrophobicContact CD1-CG 4.09Å; L63-F131 HydrophobicContact CD1-CZ 3.47Å; L63-F131 VanDerWaalsContact CD1-CZ 3.47Å; L63-F131 HydrophobicContact CG-CD1 4.15Å; L63-F131 HydrophobicContact CG-CE1 3.65Å; L63-F131 HydrophobicContact CG-CZ 3.89Å; S93-F131 VanDerWaalsContact OG-CD2 3.24Å; S93-F131 WeakPolarHBondContact OG-CD2 3.42Å; S93-F131 WeakPolarHBondContact OG-CE2 3.32Å; R94-F131 HydrophobicContact CB-CE2 4.38Å; R94-F131 HydrophobicContact CG-CE2 3.64Å; R94-F131 HydrophobicContact CG-CZ 3.98Å; T97-F131 HydrophobicContact CG2-CB 3.85Å; T97-F131 HydrophobicContact CG2-CG 4.19Å; T97-F131 WeakPolarHBondContact OG1-CB 3.46Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.4Å; P127-F131 HydrophobicContact CB-CB 4.07Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.26Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.39Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.4Å; N128-F131 PolarHBondContact O-N 2.9Å; N128-F131 PolarHBondContact OD1-N 3.42Å; F131-R133 VanDerWaalsContact C-N 3.35Å; F131-Q134 PolarHBondContact O-N 3.35Å; F131-L135 VanDerWaalsContact O-CG 3.32Å; F131-L135 WeakPolarHBondContact O-CG 3.1Å; F131-L135 PolarHBondContact O-N 3.34Å
132	Q	98.8	Very high	98.3	Very high	46 Å²	46	56.2 Å²	56.2	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-45.3	171.8	-65.6	-179.8	26.9	0	0	111.1	W111 P127 N128 Q134 L135 Q136	W111-Q132 HydrophobicContact CH2-CB 4.33Å; W111-Q132 HydrophobicContact CH2-CG 4.29Å; W111-Q132 HydrophobicContact CZ3-CB 4.3Å; W111-Q132 HydrophobicContact CZ3-CG 4Å; P127-Q132 HydrophobicContact CB-CG 4Å; P127-Q132 PolarHBondContact O-NE2 3.44Å; N128-Q132 PolarHBondContact O-N 3.33Å; Q132-Q134 PolarHBondContact O-N 3.42Å; Q132-L135 PolarHBondContact O-N 3.4Å; Q132-Q136 WeakPolarHBondContact O-CG 3.4Å; Q132-Q136 PolarHBondContact O-N 2.93Å
133	R	98.8	Very high	98.4	Very high	176 Å²	176	56.1 Å²	56.1	66%	0.664	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-42.7	174.1	-70.3	177.9	-171.1	-166.3	1.7	112.1	V129 G130 F131 L135 Q136 E137	V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 3.04Å; V129-R133 VanDerWaalsContact O-N 3.13Å; G130-R133 PolarHBondContact O-N 2.95Å; F131-R133 VanDerWaalsContact C-N 3.35Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 2.94Å; R133-Q136 WeakPolarHBondContact O-CB 3.37Å; R133-Q136 PolarHBondContact O-N 3.25Å; R133-E137 WeakPolarHBondContact O-CG 3.4Å; R133-E137 PolarHBondContact O-N 3.02Å
134	Q	98.9	Very high	98.5	Very high	28 Å²	28	56.9 Å²	56.9	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-39.3	175.3	-77.6	175	51.6	0	0	112.6	Q61 T64 G130 F131 Q132 F138	Q61-Q134 PolarHBondContact O-NE2 3.48Å; T64-Q134 HydrophobicContact CG2-CB 3.95Å; T64-Q134 HydrophobicContact CG2-CG 4.36Å; G130-Q134 WeakPolarHBondContact O-CG 3.43Å; G130-Q134 PolarHBondContact O-N 3.21Å; F131-Q134 PolarHBondContact O-N 3.35Å; Q132-Q134 PolarHBondContact O-N 3.42Å; Q134-F138 VanDerWaalsContact O-CB 3.29Å; Q134-F138 WeakPolarHBondContact O-CB 3.43Å; Q134-F138 PolarHBondContact O-N 2.74Å
135	L	98.9	Very high	98.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-37.2	175.7	-71.8	166.3	0	0	0	112.6	F67 T97 I100 A101 M104 W111 F131 Q132 R133 F138 E139	F67-L135 HydrophobicContact CE2-CD2 4.23Å; F67-L135 HydrophobicContact CZ-CD2 3.93Å; T97-L135 HydrophobicContact CG2-CD1 4.06Å; T97-L135 HydrophobicContact CG2-CD2 4.2Å; T97-L135 HydrophobicContact CG2-CG 4.05Å; I100-L135 HydrophobicContact CB-CD1 4.18Å; I100-L135 HydrophobicContact CB-CD2 4.17Å; I100-L135 HydrophobicContact CD1-CD1 3.95Å; I100-L135 HydrophobicContact CG2-CD1 3.85Å; I100-L135 HydrophobicContact CG2-CD2 3.75Å; I100-L135 HydrophobicContact CG2-CG 4.37Å; A101-L135 HydrophobicContact CB-CD2 4.23Å; M104-L135 HydrophobicContact SD-CD2 4.14Å; W111-L135 HydrophobicContact CB-CB 3.77Å; W111-L135 HydrophobicContact CD2-CB 4.48Å; W111-L135 HydrophobicContact CE3-CD1 4.48Å; W111-L135 HydrophobicContact CG-CB 4.11Å; F131-L135 VanDerWaalsContact O-CG 3.32Å; F131-L135 WeakPolarHBondContact O-CG 3.1Å; F131-L135 PolarHBondContact O-N 3.34Å; Q132-L135 PolarHBondContact O-N 3.4Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 2.94Å; L135-F138 PolarHBondContact O-N 3.34Å; L135-E139 PolarHBondContact O-N 3.08Å
136	Q	98.8	Very high	98.7	Very high	79 Å²	79	62.2 Å²	62.2	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-46.6	173.4	-74	166.2	-6.5	0	0	111.7	W111 Q132 R133 F138 E139 K140	W111-Q136 HydrophobicContact CD2-CG 4.38Å; W111-Q136 HydrophobicContact CG-CG 4.41Å; W111-Q136 HydrophobicContact CZ2-CG 4.17Å; W111-Q136 VanDerWaalsContact CZ2-NE2 3.33Å; Q132-Q136 WeakPolarHBondContact O-CG 3.4Å; Q132-Q136 PolarHBondContact O-N 2.93Å; R133-Q136 WeakPolarHBondContact O-CB 3.37Å; R133-Q136 PolarHBondContact O-N 3.25Å; Q136-F138 VanDerWaalsContact C-N 3.34Å; Q136-E139 PolarHBondContact O-N 3.5Å; Q136-K140 WeakPolarHBondContact O-CB 3.38Å; Q136-K140 PolarHBondContact O-N 2.95Å
137	E	98.8	Very high	98.7	Very high	97 Å²	97	59.8 Å²	59.8	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-39.8	176	-66.7	-56.5	132.1	0	0	111.3	R133 E139 K140 H141	R133-E137 WeakPolarHBondContact O-CG 3.4Å; R133-E137 PolarHBondContact O-N 3.02Å; E137-E139 PolarHBondContact O-N 3.35Å; E137-K140 PolarHBondContact O-N 3.26Å; E137-H141 WeakPolarHBondContact O-CB 3.27Å; E137-H141 PolarHBondContact O-N 2.88Å; E137-H141 IonicContact OE2-CD2 2.73Å; E137-H141 PolarHBondContact OE2-CD2 3.48Å; E137-H141 IonicContact OE2-NE2 3.85Å; E137-H141 PolarHBondContact OE2-NE2 3.22Å
138	F	98.9	Very high	98.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-46.3	173.9	177.7	-112.2	0	0	0	111.8	F67 A101 M104 Q134 L135 Q136 K140 E142 V143 Y146	F67-F138 HydrophobicContact CD2-CB 4.44Å; F67-F138 HydrophobicContact CD2-CD1 4.21Å; F67-F138 AromaticContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CD2 3.71Å; F67-F138 HydrophobicContact CD2-CE1 4.43Å; F67-F138 AromaticContact CD2-CE2 3.97Å; F67-F138 HydrophobicContact CD2-CE2 3.97Å; F67-F138 AromaticContact CD2-CG 3.87Å; F67-F138 HydrophobicContact CD2-CG 3.87Å; F67-F138 HydrophobicContact CD2-CZ 4.32Å; F67-F138 HydrophobicContact CE2-CB 3.91Å; F67-F138 HydrophobicContact CE2-CD1 4.09Å; F67-F138 HydrophobicContact CE2-CD2 4.05Å; F67-F138 AromaticContact CE2-CG 3.75Å; F67-F138 HydrophobicContact CE2-CG 3.75Å; A101-F138 HydrophobicContact CB-CE1 4.27Å; M104-F138 HydrophobicContact CB-CE1 4.32Å; M104-F138 HydrophobicContact CE-CD1 3.62Å; M104-F138 HydrophobicContact CE-CE1 4.11Å; M104-F138 HydrophobicContact SD-CD1 4Å; M104-F138 HydrophobicContact SD-CE1 4.31Å; Q134-F138 VanDerWaalsContact O-CB 3.29Å; Q134-F138 WeakPolarHBondContact O-CB 3.43Å; Q134-F138 PolarHBondContact O-N 2.74Å; L135-F138 PolarHBondContact O-N 3.34Å; Q136-F138 VanDerWaalsContact C-N 3.34Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 2.81Å; F138-E142 HydrophobicContact CD2-CB 3.56Å; F138-E142 HydrophobicContact CE2-CB 3.88Å; F138-E142 CarbonylContact O-C 3.45Å; F138-E142 PolarHBondContact O-N 3.18Å; F138-V143 HydrophobicContact CD1-CB 4.22Å; F138-V143 HydrophobicContact CD1-CG2 4.41Å; F138-V143 HydrophobicContact CE1-CB 3.88Å; F138-V143 HydrophobicContact CE1-CG2 3.72Å; F138-V143 HydrophobicContact CZ-CB 4.08Å; F138-V143 HydrophobicContact CZ-CG2 4.06Å; F138-V143 PolarHBondContact O-N 3.29Å; F138-Y146 AromaticContact CE2-CD1 3.96Å; F138-Y146 HydrophobicContact CE2-CD1 3.96Å; F138-Y146 AromaticContact CE2-CD2 3.56Å; F138-Y146 HydrophobicContact CE2-CD2 3.56Å; F138-Y146 HydrophobicContact CE2-CE1 4.09Å; F138-Y146 AromaticContact CE2-CE2 3.7Å; F138-Y146 HydrophobicContact CE2-CE2 3.7Å; F138-Y146 AromaticContact CE2-CG 3.68Å; F138-Y146 HydrophobicContact CE2-CG 3.68Å; F138-Y146 AromaticContact CE2-CZ 3.96Å; F138-Y146 AromaticContact CZ-CD1 3.97Å; F138-Y146 HydrophobicContact CZ-CD1 3.97Å; F138-Y146 HydrophobicContact CZ-CD2 4.16Å; F138-Y146 HydrophobicContact CZ-CE1 4.43Å; F138-Y146 AromaticContact CZ-CG 3.8Å; F138-Y146 HydrophobicContact CZ-CG 3.8Å
139	E	98.8	Very high	98.7	Very high	74 Å²	74	64.8 Å²	64.8	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-57	-47	174.5	-175.2	175.1	147.1	0	0	111.9	M104 G110 W111 L135 Q136 E137 V143	M104-E139 HydrophobicContact CE-CB 3.58Å; M104-E139 HydrophobicContact CE-CG 4.16Å; G110-E139 VanDerWaalsContact CA-CD 3.44Å; G110-E139 WeakPolarHBondContact CA-OE2 3.49Å; W111-E139 PolarHBondContact N-OE2 2.89Å; L135-E139 PolarHBondContact O-N 3.08Å; Q136-E139 PolarHBondContact O-N 3.5Å; E137-E139 PolarHBondContact O-N 3.35Å; E139-V143 VanDerWaalsContact O-CG1 3.26Å; E139-V143 WeakPolarHBondContact O-CG1 3.39Å
140	K	98.5	Very high	98.7	Very high	143 Å²	143	61.1 Å²	61.1	62%	0.622	27%	0.274	S	S	*	.	H	α-helix	trans	-72.5	-33.6	-173	-171.7	178.3	167.3	-155.3	0	113.2	Q136 E137 F138	Q136-K140 WeakPolarHBondContact O-CB 3.38Å; Q136-K140 PolarHBondContact O-N 2.95Å; E137-K140 PolarHBondContact O-N 3.26Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 2.81Å
141	H	98.5	Very high	98.6	Very high	102 Å²	102	68.3 Å²	68.3	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-122	-26.6	-164.7	-65	-57.7	0	0	0	114.9	E137 Q145	E137-H141 WeakPolarHBondContact O-CB 3.27Å; E137-H141 PolarHBondContact O-N 2.88Å; E137-H141 IonicContact OE2-CD2 2.73Å; E137-H141 PolarHBondContact OE2-CD2 3.48Å; E137-H141 IonicContact OE2-NE2 3.85Å; E137-H141 PolarHBondContact OE2-NE2 3.22Å; H141-Q145 PolarHBondContact O-NE2 2.85Å
142	E	98.5	Very high	98.5	Very high	69 Å²	69	74.9 Å²	74.9	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-30.4	-165.8	-65.6	-172.7	92.9	0	0	114.2	F138 H144 Q145 Y146	F138-E142 HydrophobicContact CD2-CB 3.56Å; F138-E142 HydrophobicContact CE2-CB 3.88Å; F138-E142 CarbonylContact O-C 3.45Å; F138-E142 PolarHBondContact O-N 3.18Å; E142-H144 PolarHBondContact O-N 3.08Å; E142-H144 VanDerWaalsContact O-N 3.12Å; E142-Q145 WeakPolarHBondContact O-CA 3.25Å; E142-Q145 WeakPolarHBondContact O-CB 3.42Å; E142-Q145 PolarHBondContact O-N 3.05Å; E142-Y146 HydrophobicContact CB-CD2 4.26Å; E142-Y146 HydrophobicContact CB-CE2 4.21Å; E142-Y146 WeakPolarHBondContact O-CD2 3.24Å; E142-Y146 PolarHBondContact O-N 2.8Å
143	V	98.8	Very high	98.5	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-35.7	-170.9	74.5	0	0	0	0	112.8	M104 F138 E139 Q145 Y146 R147	M104-V143 HydrophobicContact CB-CG2 3.94Å; M104-V143 HydrophobicContact CE-CG2 4.31Å; F138-V143 HydrophobicContact CD1-CB 4.22Å; F138-V143 HydrophobicContact CD1-CG2 4.41Å; F138-V143 HydrophobicContact CE1-CB 3.88Å; F138-V143 HydrophobicContact CE1-CG2 3.72Å; F138-V143 HydrophobicContact CZ-CB 4.08Å; F138-V143 HydrophobicContact CZ-CG2 4.06Å; F138-V143 PolarHBondContact O-N 3.29Å; E139-V143 VanDerWaalsContact O-CG1 3.26Å; E139-V143 WeakPolarHBondContact O-CG1 3.39Å; V143-Q145 VanDerWaalsContact C-N 3.33Å; V143-Q145 PolarHBondContact O-N 2.86Å; V143-Y146 PolarHBondContact O-N 2.78Å; V143-R147 VanDerWaalsContact O-CG 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.01Å; V143-R147 PolarHBondContact O-N 3.48Å
144	H	98.5	Very high	98.4	Very high	125 Å²	125	71.7 Å²	71.7	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-64.2	-38.8	176.8	-68.1	-70.3	0	0	0	112.2	E142 Y146 R147 Q148	E142-H144 PolarHBondContact O-N 3.08Å; E142-H144 VanDerWaalsContact O-N 3.12Å; H144-Y146 VanDerWaalsContact C-N 3.34Å; H144-R147 PolarHBondContact O-N 2.73Å; H144-Q148 WeakPolarHBondContact O-CB 3.22Å; H144-Q148 PolarHBondContact O-N 3.15Å
145	Q	98.6	Very high	98.2	Very high	124 Å²	124	72.2 Å²	72.2	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-68.4	-37.8	175.5	-56.5	175.7	26.2	0	0	110.5	H141 E142 V143 Q148 W149	H141-Q145 PolarHBondContact O-NE2 2.85Å; E142-Q145 WeakPolarHBondContact O-CA 3.25Å; E142-Q145 WeakPolarHBondContact O-CB 3.42Å; E142-Q145 PolarHBondContact O-N 3.05Å; V143-Q145 VanDerWaalsContact C-N 3.33Å; V143-Q145 PolarHBondContact O-N 2.86Å; Q145-Q148 PolarHBondContact O-N 3.42Å; Q145-W149 WeakPolarHBondContact O-CB 3.43Å; Q145-W149 PolarHBondContact O-N 2.78Å
146	Y	98.8	Very high	97.8	Very high	31 Å²	31	81.5 Å²	81.5	12%	0.122	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-40.6	175.7	-85.7	-115.1	0	0	0	112.4	F67 K68 I71 F138 E142 V143 H144 Q148 W149 L150	F67-Y146 HydrophobicContact CB-CE1 4.04Å; K68-Y146 HydrophobicContact CB-CE1 3.83Å; K68-Y146 HydrophobicContact CG-CE1 4.39Å; I71-Y146 HydrophobicContact CD1-CD1 3.62Å; I71-Y146 HydrophobicContact CD1-CE1 3.92Å; F138-Y146 AromaticContact CE2-CD1 3.96Å; F138-Y146 HydrophobicContact CE2-CD1 3.96Å; F138-Y146 AromaticContact CE2-CD2 3.56Å; F138-Y146 HydrophobicContact CE2-CD2 3.56Å; F138-Y146 HydrophobicContact CE2-CE1 4.09Å; F138-Y146 AromaticContact CE2-CE2 3.7Å; F138-Y146 HydrophobicContact CE2-CE2 3.7Å; F138-Y146 AromaticContact CE2-CG 3.68Å; F138-Y146 HydrophobicContact CE2-CG 3.68Å; F138-Y146 AromaticContact CE2-CZ 3.96Å; F138-Y146 AromaticContact CZ-CD1 3.97Å; F138-Y146 HydrophobicContact CZ-CD1 3.97Å; F138-Y146 HydrophobicContact CZ-CD2 4.16Å; F138-Y146 HydrophobicContact CZ-CE1 4.43Å; F138-Y146 AromaticContact CZ-CG 3.8Å; F138-Y146 HydrophobicContact CZ-CG 3.8Å; E142-Y146 HydrophobicContact CB-CD2 4.26Å; E142-Y146 HydrophobicContact CB-CE2 4.21Å; E142-Y146 WeakPolarHBondContact O-CD2 3.24Å; E142-Y146 PolarHBondContact O-N 2.8Å; V143-Y146 PolarHBondContact O-N 2.78Å; H144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-Q148 VanDerWaalsContact C-N 3.35Å; Y146-W149 HydrophobicContact CD1-CE3 4.21Å; Y146-W149 HydrophobicContact CD1-CZ3 4.27Å; Y146-W149 PolarHBondContact O-N 3.45Å; Y146-L150 WeakPolarHBondContact O-CB 3.2Å; Y146-L150 PolarHBondContact O-N 3.01Å
147	R	98.5	Very high	97.2	Very high	33 Å²	33	79.9 Å²	79.9	13%	0.125	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-43.1	173	-73.1	166	179	165.6	2.9	111.6	M104 T105 T107 D108 F109 V143 H144 R151	M104-R147 PolarHBondContact O-NE 3.29Å; M104-R147 PolarHBondContact O-NH2 3Å; T105-R147 WeakPolarHBondContact O-CG 3.26Å; T107-R147 VanDerWaalsContact O-CZ 3.23Å; T107-R147 PolarHBondContact O-NE 3.43Å; T107-R147 PolarHBondContact O-NH2 3.48Å; T107-R147 VanDerWaalsContact O-NH2 3.09Å; D108-R147 PolarHBondContact O-NH2 3.19Å; F109-R147 PolarHBondContact O-NH2 2.75Å; V143-R147 VanDerWaalsContact O-CG 3.3Å; V143-R147 WeakPolarHBondContact O-CG 3.01Å; V143-R147 PolarHBondContact O-N 3.48Å; H144-R147 PolarHBondContact O-N 2.73Å; R147-R151 WeakPolarHBondContact O-CG 3.33Å; R147-R151 PolarHBondContact O-N 3.04Å; R147-R151 VanDerWaalsContact O-N 3.16Å
148	Q	98.3	Very high	96.8	Very high	100 Å²	100	80.2 Å²	80.2	47%	0.467	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-50.7	175.7	178.7	175.7	-2.2	0	0	111.1	H144 Q145 Y146 L150 R151 E152	H144-Q148 WeakPolarHBondContact O-CB 3.22Å; H144-Q148 PolarHBondContact O-N 3.15Å; Q145-Q148 PolarHBondContact O-N 3.42Å; Y146-Q148 VanDerWaalsContact C-N 3.35Å; Q148-L150 VanDerWaalsContact C-N 3.28Å; Q148-L150 PolarHBondContact O-N 2.63Å; Q148-R151 PolarHBondContact O-N 2.77Å; Q148-R151 VanDerWaalsContact O-N 3.13Å; Q148-E152 HydrophobicContact CG-CG 4.36Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.31Å; Q148-E152 PolarHBondContact NE2-OE1 3.32Å; Q148-E152 WeakPolarHBondContact O-CG 3.45Å; Q148-E152 PolarHBondContact O-N 2.86Å
149	W	98.6	Very high	96.4	Very high	34 Å²	34	82.3 Å²	82.3	13%	0.129	40%	0.396	C	S	.	.	H	α-helix	trans	-54.1	-44.8	176	160.1	62.3	0	0	0	111.8	K68 I71 K72 Q145 Y146 R151 E152 E153	K68-W149 VanDerWaalsContact CE-CE2 3.46Å; K68-W149 HydrophobicContact CG-CH2 3.91Å; K68-W149 HydrophobicContact CG-CZ2 4.04Å; K68-W149 HydrophobicContact CG-CZ3 4.19Å; I71-W149 HydrophobicContact CB-CZ3 4.29Å; I71-W149 HydrophobicContact CG2-CH2 4.1Å; I71-W149 HydrophobicContact CG2-CZ3 3.73Å; K72-W149 HydrophobicContact CB-CH2 4.21Å; K72-W149 HydrophobicContact CB-CZ2 4.48Å; Q145-W149 WeakPolarHBondContact O-CB 3.43Å; Q145-W149 PolarHBondContact O-N 2.78Å; Y146-W149 HydrophobicContact CD1-CE3 4.21Å; Y146-W149 HydrophobicContact CD1-CZ3 4.27Å; Y146-W149 PolarHBondContact O-N 3.45Å; W149-R151 VanDerWaalsContact C-N 3.34Å; W149-R151 PolarHBondContact O-N 3.1Å; W149-E152 PolarHBondContact O-N 2.95Å; W149-E153 WeakPolarHBondContact O-CB 3.48Å; W149-E153 PolarHBondContact O-N 2.83Å
150	L	98.3	Very high	96.2	Very high	13 Å²	13	85.6 Å²	85.6	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-62.5	-41.7	-179.9	-161.5	80.8	0	0	0	111.7	I71 H75 T105 V106 Y146 Q148 Y154	I71-L150 HydrophobicContact CG2-CD1 4.03Å; H75-L150 HydrophobicContact CB-CD1 4.5Å; T105-L150 HydrophobicContact CG2-CB 4.27Å; T105-L150 HydrophobicContact CG2-CD2 4.23Å; V106-L150 HydrophobicContact CG1-CD2 3.75Å; Y146-L150 WeakPolarHBondContact O-CB 3.2Å; Y146-L150 PolarHBondContact O-N 3.01Å; Q148-L150 VanDerWaalsContact C-N 3.28Å; Q148-L150 PolarHBondContact O-N 2.63Å; L150-Y154 HydrophobicContact CD1-CD2 3.64Å; L150-Y154 HydrophobicContact CD1-CE2 3.67Å; L150-Y154 HydrophobicContact CG-CD2 3.96Å; L150-Y154 HydrophobicContact CG-CE2 4.48Å; L150-Y154 WeakPolarHBondContact O-CD2 3.33Å; L150-Y154 PolarHBondContact O-N 3.2Å
151	R	97.1	Very high	95.9	Very high	160 Å²	160	79 Å²	79	60%	0.604	38%	0.383	S	S	*	.	H	α-helix	trans	-67	-38	175.3	-73.3	-170.7	-63.2	-110.4	0.8	112.8	R147 Q148 W149 G155	R147-R151 WeakPolarHBondContact O-CG 3.33Å; R147-R151 PolarHBondContact O-N 3.04Å; R147-R151 VanDerWaalsContact O-N 3.16Å; Q148-R151 PolarHBondContact O-N 2.77Å; Q148-R151 VanDerWaalsContact O-N 3.13Å; W149-R151 VanDerWaalsContact C-N 3.34Å; W149-R151 PolarHBondContact O-N 3.1Å; R151-G155 WeakPolarHBondContact O-CA 3.34Å; R151-G155 PolarHBondContact O-N 3.38Å
152	E	98.1	Very high	95.6	Very high	137 Å²	137	75.7 Å²	75.7	64%	0.64	37%	0.373	S	S	*	.	H	α-helix	trans	-68	-39.3	177.8	-72.5	170.6	180	0	0	111.8	Q148 W149	Q148-E152 HydrophobicContact CG-CG 4.36Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.31Å; Q148-E152 PolarHBondContact NE2-OE1 3.32Å; Q148-E152 WeakPolarHBondContact O-CG 3.45Å; Q148-E152 PolarHBondContact O-N 2.86Å; W149-E152 PolarHBondContact O-N 2.95Å
153	E	98.1	Very high	95.4	Very high	103 Å²	103	77 Å²	77	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-78.1	-41	-178	-175.1	82.4	174.7	0	0	112.8	K72 W149	K72-E153 IonicContact NZ-OE1 2.77Å; K72-E153 PolarHBondContact NZ-OE1 3.18Å; W149-E153 WeakPolarHBondContact O-CB 3.48Å; W149-E153 PolarHBondContact O-N 2.83Å
154	Y	97.1	Very high	95.2	Very high	52 Å²	52	80.5 Å²	80.5	20%	0.204	40%	0.395	C	S	.	.	H	α-helix	trans	-117.5	-6.7	-170.5	-55.8	-74.7	0	0	0	114.8	K72 H75 E76 L79 L150	K72-Y154 WeakPolarHBondContact CG-OH 3.36Å; K72-Y154 PolarHBondContact NZ-OH 3.26Å; H75-Y154 AromaticContact CD2-CD2 3.53Å; H75-Y154 AromaticContact CD2-CE2 3.85Å; H75-Y154 AromaticContact CD2-CG 3.75Å; E76-Y154 HydrophobicContact CG-CE1 3.81Å; E76-Y154 PolarHBondContact OE1-OH 2.9Å; L79-Y154 HydrophobicContact CD1-CD1 3.72Å; L79-Y154 HydrophobicContact CD1-CE1 4.41Å; L79-Y154 HydrophobicContact CD1-CG 4.07Å; L150-Y154 HydrophobicContact CD1-CD2 3.64Å; L150-Y154 HydrophobicContact CD1-CE2 3.67Å; L150-Y154 HydrophobicContact CG-CD2 3.96Å; L150-Y154 HydrophobicContact CG-CE2 4.48Å; L150-Y154 WeakPolarHBondContact O-CD2 3.33Å; L150-Y154 PolarHBondContact O-N 3.2Å
155	G	95.1	Very high	94.9	Very high	40 Å²	40	74.6 Å²	74.6	41%	0.412	37%	0.368	S	S	.	.			trans	71.4	-149	-175	0	0	0	0	0	113.2	R151 S157	R151-G155 WeakPolarHBondContact O-CA 3.34Å; R151-G155 PolarHBondContact O-N 3.38Å; G155-S157 PolarHBondContact O-N 3.48Å
156	E	89.6	Confident	94.6	Very high	194 Å²	194	73 Å²	73	91%	0.907	36%	0.359	S	S	*	.	S	Bend	trans	-74.1	122.2	172	-69.5	-170.2	162.8	0	0	110.3
157	S	87.1	Confident	94.3	Very high	46 Å²	46	75.5 Å²	75.5	32%	0.322	38%	0.375	S	S	.	.			trans	-71.8	128.7	177.6	177.8	0	0	0	0	110.3	G155 L159	G155-S157 PolarHBondContact O-N 3.48Å; S157-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact OG-CB 3.31Å; S157-L159 WeakPolarHBondContact OG-CB 3.38Å; S157-L159 WeakPolarHBondContact OG-CG 3.18Å; S157-L159 PolarHBondContact OG-N 2.98Å
158	P	89.6	Confident	93.9	Very high	104 Å²	104	75.9 Å²	75.9	68%	0.675	38%	0.379	S	S	*	.	S	Bend	trans	-71.2	-7.7	171.4	32	-36.4	0	0	0	112.6	L79	L79-P158 HydrophobicContact CD2-CG 4.01Å
159	L	90.5	Very high	93.3	Very high	43 Å²	43	72.9 Å²	72.9	23%	0.225	37%	0.366	C	S	.	.	S	Bend	trans	-80.2	124.1	179.3	-49.7	173.6	0	0	0	108.9	R78 L79 S157 D161	R78-L159 HydrophobicContact CB-CD1 3.73Å; R78-L159 VanDerWaalsContact NH1-CD1 3.26Å; L79-L159 HydrophobicContact CD2-CD1 3.98Å; L79-L159 HydrophobicContact CD2-CG 4.13Å; L79-L159 HydrophobicContact CG-CD1 4.49Å; S157-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact OG-CB 3.31Å; S157-L159 WeakPolarHBondContact OG-CB 3.38Å; S157-L159 WeakPolarHBondContact OG-CG 3.18Å; S157-L159 PolarHBondContact OG-N 2.98Å; L159-D161 WeakPolarHBondContact CB-OD2 3.38Å; L159-D161 PolarHBondContact O-N 2.79Å
160	Q	93.6	Very high	92.6	Very high	144 Å²	144	74.2 Å²	74.2	67%	0.673	38%	0.383	S	S	*	.			trans	-79.4	44.7	179.9	-60.1	-178.4	27.6	0	0	112.2	A162 E163 E164	Q160-A162 PolarHBondContact O-N 2.79Å; Q160-E163 HydrophobicContact CB-CB 4.4Å; Q160-E163 PolarHBondContact O-N 3.04Å; Q160-E163 VanDerWaalsContact O-N 3.17Å; Q160-E164 WeakPolarHBondContact O-CB 3.42Å; Q160-E164 WeakPolarHBondContact O-CG 3.42Å; Q160-E164 PolarHBondContact O-N 3.23Å
161	D	93.6	Very high	91.7	Very high	5 Å²	5	75.5 Å²	75.5	3%	0.027	40%	0.396	C	S	.	.	H	α-helix	trans	-59.8	-42.7	-168	-75.3	-36.4	0	0	0	113.4	R78 V106 T107 L159 A165	R78-D161 IonicContact CZ-OD1 3.87Å; R78-D161 IonicContact CZ-OD2 3.68Å; R78-D161 IonicContact NH1-OD1 2.67Å; R78-D161 PolarHBondContact NH1-OD1 2.87Å; R78-D161 IonicContact NH1-OD2 3.54Å; R78-D161 PolarHBondContact NH1-OD2 3.33Å; R78-D161 IonicContact NH2-OD1 3Å; R78-D161 PolarHBondContact NH2-OD1 3.09Å; R78-D161 IonicContact NH2-OD2 3.25Å; V106-D161 HydrophobicContact CB-CB 4.13Å; V106-D161 HydrophobicContact CG2-CB 3.78Å; T107-D161 HydrophobicContact CG2-CB 4.39Å; L159-D161 WeakPolarHBondContact CB-OD2 3.38Å; L159-D161 PolarHBondContact O-N 2.79Å; D161-A165 WeakPolarHBondContact O-CB 3.31Å; D161-A165 PolarHBondContact O-N 3.09Å
162	A	91.8	Very high	89.7	Confident	32 Å²	32	74.5 Å²	74.5	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-39.8	178.8	0	0	0	0	0	112.2	T107 Q160 K166	T107-A162 HydrophobicContact CG2-CB 4.31Å; Q160-A162 PolarHBondContact O-N 2.79Å; A162-K166 WeakPolarHBondContact O-CB 3.48Å; A162-K166 WeakPolarHBondContact O-CD 3.47Å; A162-K166 WeakPolarHBondContact O-CG 3.33Å; A162-K166 PolarHBondContact O-N 3.11Å
163	E	93.9	Very high	87.9	Confident	96 Å²	96	70.3 Å²	70.3	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-71.2	-45.6	179.6	-174.7	57.1	-156.5	0	0	111.1	Q160 A165 K166 N167	Q160-E163 HydrophobicContact CB-CB 4.4Å; Q160-E163 PolarHBondContact O-N 3.04Å; Q160-E163 VanDerWaalsContact O-N 3.17Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.89Å; E163-K166 PolarHBondContact O-N 2.98Å; E163-N167 WeakPolarHBondContact O-CB 3.35Å; E163-N167 VanDerWaalsContact O-CG 3.3Å; E163-N167 PolarHBondContact O-N 3.46Å; E163-N167 PolarHBondContact O-ND2 3.02Å; E163-N167 VanDerWaalsContact O-ND2 3.14Å; E163-N167 PolarHBondContact OE1-ND2 2.85Å
164	E	94.3	Very high	85.8	Confident	75 Å²	75	67.5 Å²	67.5	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-45.6	174.8	-71.5	-77.5	-153.9	0	0	111.5	L9 P10 Q160 K166 N167 I168	L9-E164 HydrophobicContact CD2-CB 3.92Å; P10-E164 HydrophobicContact CG-CG 4.35Å; Q160-E164 WeakPolarHBondContact O-CB 3.42Å; Q160-E164 WeakPolarHBondContact O-CG 3.42Å; Q160-E164 PolarHBondContact O-N 3.23Å; E164-K166 PolarHBondContact O-N 3.41Å; E164-N167 PolarHBondContact O-N 3.27Å; E164-I168 VanDerWaalsContact O-CG1 3.27Å; E164-I168 WeakPolarHBondContact O-CG1 3.42Å; E164-I168 PolarHBondContact O-N 3.16Å
165	A	92.6	Very high	83.5	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-65.7	-39.2	178.6	0	0	0	0	0	112.1	T107 F109 T117 D161 E163 I168 L169	T107-A165 HydrophobicContact CG2-CB 4.25Å; F109-A165 HydrophobicContact CD2-CB 4.32Å; F109-A165 HydrophobicContact CE2-CB 3.46Å; F109-A165 VanDerWaalsContact CE2-CB 3.46Å; F109-A165 HydrophobicContact CZ-CB 3.76Å; T117-A165 HydrophobicContact CG2-CB 4.15Å; D161-A165 WeakPolarHBondContact O-CB 3.31Å; D161-A165 PolarHBondContact O-N 3.09Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.89Å; A165-I168 PolarHBondContact O-N 3.13Å; A165-L169 WeakPolarHBondContact O-CG 3.45Å; A165-L169 PolarHBondContact O-N 3.03Å; A165-L169 VanDerWaalsContact O-N 3.14Å
166	K	92.1	Very high	81.2	Confident	92 Å²	92	77.3 Å²	77.3	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.3	-76.2	170.2	-174.5	177.8	0	111.8	D108 F109 A162 E163 E164 I168 L169 A170	D108-K166 IonicContact OD2-NZ 3.22Å; F109-K166 HydrophobicContact CE1-CG 4Å; F109-K166 HydrophobicContact CZ-CG 3.88Å; A162-K166 WeakPolarHBondContact O-CB 3.48Å; A162-K166 WeakPolarHBondContact O-CD 3.47Å; A162-K166 WeakPolarHBondContact O-CG 3.33Å; A162-K166 PolarHBondContact O-N 3.11Å; E163-K166 PolarHBondContact O-N 2.98Å; E164-K166 PolarHBondContact O-N 3.41Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.92Å; K166-L169 PolarHBondContact O-N 3.32Å; K166-L169 VanDerWaalsContact O-N 3.15Å; K166-A170 WeakPolarHBondContact O-CB 3.43Å; K166-A170 PolarHBondContact O-N 2.9Å
167	N	92.1	Very high	79.3	Confident	83 Å²	83	76.2 Å²	76.2	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-39.3	177.2	-75.1	-34.9	0	0	0	112.2	E163 E164 L169 A170 A171	E163-N167 WeakPolarHBondContact O-CB 3.35Å; E163-N167 VanDerWaalsContact O-CG 3.3Å; E163-N167 PolarHBondContact O-N 3.46Å; E163-N167 PolarHBondContact O-ND2 3.02Å; E163-N167 VanDerWaalsContact O-ND2 3.14Å; E163-N167 PolarHBondContact OE1-ND2 2.85Å; E164-N167 PolarHBondContact O-N 3.27Å; N167-L169 PolarHBondContact O-N 3.44Å; N167-A170 PolarHBondContact O-N 2.93Å; N167-A171 PolarHBondContact O-N 2.96Å
168	I	90.7	Very high	77.6	Confident	41 Å²	41	77 Å²	77	21%	0.21	41%	0.414	C	S	.	.	H	α-helix	trans	-59.7	-45.4	172.7	-71.6	165.8	0	0	0	111	I8 L9 T117 A120 E164 A165 K166 A171 I174	I8-I168 WeakPolarHBondContact O-CD1 3.42Å; L9-I168 HydrophobicContact CD2-CD1 4.07Å; T117-I168 HydrophobicContact CG2-CD1 4.06Å; T117-I168 HydrophobicContact CG2-CG2 4.31Å; A120-I168 HydrophobicContact CB-CG2 3.3Å; E164-I168 VanDerWaalsContact O-CG1 3.27Å; E164-I168 WeakPolarHBondContact O-CG1 3.42Å; E164-I168 PolarHBondContact O-N 3.16Å; A165-I168 PolarHBondContact O-N 3.13Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.92Å; I168-A171 PolarHBondContact O-N 2.69Å; I168-I174 WeakPolarHBondContact O-CD1 3.47Å
169	L	85.6	Confident	75.5	Confident	37 Å²	37	75.4 Å²	75.4	19%	0.194	41%	0.409	C	S	.	.	H	α-helix	trans	-70.5	-30.7	-179.8	-66.5	179.2	0	0	0	113.2	F109 D113 H116 A165 K166 N167 A171	F109-L169 HydrophobicContact CD2-CD1 4.35Å; F109-L169 HydrophobicContact CE2-CD1 3.5Å; F109-L169 VanDerWaalsContact CE2-CD1 3.5Å; F109-L169 HydrophobicContact CE2-CG 4.38Å; F109-L169 HydrophobicContact CZ-CD1 3.68Å; D113-L169 HydrophobicContact CB-CD1 4.28Å; H116-L169 HydrophobicContact CB-CD2 3.55Å; A165-L169 WeakPolarHBondContact O-CG 3.45Å; A165-L169 PolarHBondContact O-N 3.03Å; A165-L169 VanDerWaalsContact O-N 3.14Å; K166-L169 PolarHBondContact O-N 3.32Å; K166-L169 VanDerWaalsContact O-N 3.15Å; N167-L169 PolarHBondContact O-N 3.44Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 3.17Å
170	A	83.4	Confident	73.3	Confident	61 Å²	61	80.2 Å²	80.2	50%	0.504	43%	0.428	S	S	.	.	H	α-helix	trans	-77.6	-11.9	180	0	0	0	0	0	114	K166 N167	K166-A170 WeakPolarHBondContact O-CB 3.43Å; K166-A170 PolarHBondContact O-N 2.9Å; N167-A170 PolarHBondContact O-N 2.93Å
171	A	79.4	Confident	71.1	Confident	41 Å²	41	76.8 Å²	76.8	34%	0.339	41%	0.414	S	S	.	.	S	Bend	trans	-61	127.7	-173.7	0	0	0	0	0	112.6	N167 I168 L169 G173 I174	N167-A171 PolarHBondContact O-N 2.96Å; I168-A171 PolarHBondContact O-N 2.69Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 3.17Å; A171-G173 PolarHBondContact O-N 2.83Å; A171-I174 HydrophobicContact CB-CD1 4.46Å; A171-I174 PolarHBondContact O-N 3.2Å; A171-I174 VanDerWaalsContact O-N 3.11Å
172	P	56.6	Low	68.7	Low	139 Å²	139	85.8 Å²	85.8	90%	0.903	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	98.7	-176.4	23.1	-30.7	0	0	0	111.2
173	G	58.4	Low	66.4	Low	48 Å²	48	95.1 Å²	95.1	50%	0.495	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	155.4	-33.9	-174.4	0	0	0	0	0	110.8	A171	A171-G173 PolarHBondContact O-N 2.83Å
174	I	54.9	Low	63.8	Low	44 Å²	44	99.3 Å²	99.3	23%	0.226	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.5	176	-62.5	164.5	0	0	0	111.9	A120 I168 A171 W178	A120-I174 HydrophobicContact CB-CD1 3.58Å; I168-I174 WeakPolarHBondContact O-CD1 3.47Å; A171-I174 HydrophobicContact CB-CD1 4.46Å; A171-I174 PolarHBondContact O-N 3.2Å; A171-I174 VanDerWaalsContact O-N 3.11Å; I174-W178 VanDerWaalsContact O-CG 3.27Å; I174-W178 PolarHBondContact O-NE1 3.26Å
175	L	48.9	Very low	62.3	Low	113 Å²	113	100.5 Å²	100.5	59%	0.592	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-35.2	172.2	-87.7	122.6	0	0	0	113.7	W178 A179	L175-W178 PolarHBondContact O-N 3.35Å; L175-A179 PolarHBondContact O-N 3.46Å
176	K	47.3	Very low	60.7	Low	185 Å²	185	105.8 Å²	105.8	80%	0.804	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-37.1	-173	-73.7	-172.6	178.3	-179.3	0	114.3	W178	K176-W178 PolarHBondContact O-N 3.49Å
177	Y	48.6	Very low	58.9	Low	171 Å²	171	106.6 Å²	106.6	67%	0.671	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.9	178.2	-149.5	-95.3	0	0	0	112.3	L181	Y177-L181 HydrophobicContact CD1-CD1 4.12Å; Y177-L181 HydrophobicContact CE1-CD1 4.4Å
178	W	50.9	Low	57	Low	64 Å²	64	107.9 Å²	107.9	24%	0.242	55%	0.548	C	S	.	.	H	α-helix	trans	-111.8	-24.9	-162.9	-63.4	82	0	0	0	114.3	H116 I174 L175 K176 F180 L181 R182	H116-W178 AromaticContact CD2-CE3 3.8Å; H116-W178 AromaticContact CD2-CH2 3.93Å; H116-W178 AromaticContact CD2-CZ3 3.71Å; H116-W178 AromaticContact NE2-CE3 3.54Å; H116-W178 AromaticContact NE2-CZ3 3.47Å; H116-W178 WeakPolarHBondContact NE2-CZ3 3.39Å; I174-W178 VanDerWaalsContact O-CG 3.27Å; I174-W178 PolarHBondContact O-NE1 3.26Å; L175-W178 PolarHBondContact O-N 3.35Å; K176-W178 PolarHBondContact O-N 3.49Å; W178-F180 PolarHBondContact O-N 3.15Å; W178-F180 VanDerWaalsContact O-N 3.15Å; W178-L181 HydrophobicContact CD2-CD1 4.2Å; W178-L181 HydrophobicContact CE3-CB 4.34Å; W178-L181 HydrophobicContact CE3-CD1 3.64Å; W178-L181 HydrophobicContact CH2-CD1 4.2Å; W178-L181 HydrophobicContact CZ3-CD1 3.63Å; W178-L181 PolarHBondContact O-N 3.17Å; W178-R182 PolarHBondContact O-N 3.15Å; W178-R182 VanDerWaalsContact O-N 3.15Å
179	A	47.2	Very low	54.9	Low	69 Å²	69	112.1 Å²	112.1	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-56.6	-24.3	160.9	0	0	0	0	0	112.2	L175	L175-A179 PolarHBondContact O-N 3.46Å
180	F	44.3	Very low	52.8	Low	144 Å²	144	117.1 Å²	117.1	63%	0.632	59%	0.594	S	S	*	*	H	α-helix	trans	-79.5	-40.9	175.6	-173.3	-101.6	0	0	0	112.9	W178 R183 L184	W178-F180 PolarHBondContact O-N 3.15Å; W178-F180 VanDerWaalsContact O-N 3.15Å; F180-R183 PolarHBondContact O-N 3.4Å; F180-L184 HydrophobicContact CE1-CD1 4.03Å; F180-L184 HydrophobicContact CZ-CD1 4.45Å
181	L	46.1	Very low	50.7	Low	73 Å²	73	121.1 Å²	121.1	38%	0.382	60%	0.6	S	S	.	*	H	α-helix	trans	-77.7	-25.9	-177.4	-73.8	168	0	0	0	114.2	Y177 W178 R183	Y177-L181 HydrophobicContact CD1-CD1 4.12Å; Y177-L181 HydrophobicContact CE1-CD1 4.4Å; W178-L181 HydrophobicContact CD2-CD1 4.2Å; W178-L181 HydrophobicContact CE3-CB 4.34Å; W178-L181 HydrophobicContact CE3-CD1 3.64Å; W178-L181 HydrophobicContact CH2-CD1 4.2Å; W178-L181 HydrophobicContact CZ3-CD1 3.63Å; W178-L181 PolarHBondContact O-N 3.17Å; L181-R183 PolarHBondContact O-N 3.41Å
182	R	44.7	Very low	48.4	Very low	194 Å²	194	127.3 Å²	127.3	73%	0.732	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-4.4	172.2	-76.6	-171.1	178.9	-170.8	1.2	114.2	W178	W178-R182 PolarHBondContact O-N 3.15Å; W178-R182 VanDerWaalsContact O-N 3.15Å
183	R	41.8	Very low	47.8	Very low	227 Å²	227	126.3 Å²	126.3	86%	0.857	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	0.5	-179.7	-88.4	-177.1	173.1	-174.3	-0.9	113.8	F180 L181	F180-R183 PolarHBondContact O-N 3.4Å; L181-R183 PolarHBondContact O-N 3.41Å
184	L	40	Very low	46.8	Very low	184 Å²	184	133.5 Å²	133.5	96%	0.963	61%	0.606	S	S	*	*			trans	-108.9	0	173.4	-68.5	171.3	0	0	0	109.1	F180	F180-L184 HydrophobicContact CE1-CD1 4.03Å; F180-L184 HydrophobicContact CZ-CD1 4.45Å

Retrieved 184 of 184 residues in 39.2 ms (Link to these results)

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