A0A087XXJ5_POEFO Loading...

Endoribonuclease LACTB2

Endoribonuclease; cleaves preferentially 3' to purine-pyrimidine dinucleotide motifs in single-stranded RNA. The cleavage product contains a free 3' -OH group. Has no activity with double-stranded RNA or DNA. Required for normal mitochondrial function and cell viability.

AlphaFold DB , UniProt , Accession A0A087XXJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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	54.1	Low	89.8	Confident	242 Å²	242	92.7 Å²	92.7	100%	1.192	48%	0.475	S	S	*	.				0	123.5	0	-81.7	-174.9	-87.5	0	0	106.1
2	T	70.3	Confident	90.6	Very high	104 Å²	104	87.2 Å²	87.2	64%	0.638	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-58.2	135.7	177.3	-49.5	0	0	0	0	109.5	Q29	T2-Q29 HydrophobicContact CG2-CG 4.27Å
3	A	85.8	Confident	91.1	Very high	36 Å²	36	85.5 Å²	85.5	30%	0.298	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.2	178.7	0	0	0	0	0	110.3	Q29 E166 P198	A3-Q29 PolarHBondContact O-NE2 3.4Å; A3-E166 WeakPolarHBondContact CB-OE1 3.22Å; A3-E166 PolarHBondContact N-OE1 2.65Å; A3-P198 HydrophobicContact CB-CB 4.38Å; A3-P198 HydrophobicContact CB-CG 4.25Å
4	I	91.8	Very high	91.7	Very high	165 Å²	165	84.1 Å²	84.1	85%	0.846	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-88.9	117.8	172.6	-61.1	175.7	0	0	0	107.4
5	I	96	Very high	92.2	Very high	17 Å²	17	78.5 Å²	78.5	9%	0.087	41%	0.413	C	S	.	.			trans	-104.6	121	178.7	-68.7	171.3	0	0	0	108.8	R17 L19 Q29 G197	I5-R17 VanDerWaalsContact CG2-NH2 3.34Å; I5-L19 HydrophobicContact CG2-CD1 4.03Å; I5-L19 HydrophobicContact CG2-CD2 4.29Å; I5-Q29 HydrophobicContact CD1-CB 4.19Å; I5-Q29 HydrophobicContact CD1-CG 4.08Å; I5-Q29 HydrophobicContact CG1-CG 4.45Å; I5-G197 VanDerWaalsContact CD1-C 3.42Å; I5-G197 WeakPolarHBondContact CD1-O 3.06Å
6	P	97.3	Very high	92.6	Very high	60 Å²	60	73.6 Å²	73.6	39%	0.39	39%	0.387	S	S	.	.			trans	-60.1	147.1	171.9	-20.7	32.1	0	0	0	111.6	I8 E9	P6-I8 VanDerWaalsContact C-N 3.26Å; P6-I8 PolarHBondContact O-N 2.69Å; P6-E9 HydrophobicContact CB-CB 4.37Å
7	R	98.2	Very high	93	Very high	137 Å²	137	69.7 Å²	69.7	52%	0.517	37%	0.366	S	S	.	.	S	Bend	trans	-61.4	-33.7	178.6	-70.8	173.2	174.4	172.2	-3.7	113.3	V18 L19 E54	R7-V18 CarbonylContact O-C 3.56Å; R7-V18 WeakPolarHBondContact O-CA 3.27Å; R7-L19 PolarHBondContact O-N 3.04Å; R7-E54 IonicContact CZ-OE1 3.27Å; R7-E54 IonicContact NE-OE1 2.68Å; R7-E54 PolarHBondContact NE-OE1 2.85Å; R7-E54 IonicContact NH1-OE1 2.71Å; R7-E54 IonicContact NH2-OE1 2.83Å; R7-E54 PolarHBondContact NH2-OE1 2.86Å; R7-E54 IonicContact NH2-OE2 3.2Å
8	I	98.7	Very high	93.3	Very high	40 Å²	40	65.8 Å²	65.8	21%	0.205	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.2	176.8	-55.2	170.2	0	0	0	106.7	P6 V16 R17 V18 N58 N61 A62 F66	P6-I8 VanDerWaalsContact C-N 3.26Å; P6-I8 PolarHBondContact O-N 2.69Å; I8-V16 HydrophobicContact CG2-CG1 4.26Å; I8-R17 WeakPolarHBondContact CA-O 3.5Å; I8-V18 HydrophobicContact CG1-CG1 4.47Å; I8-N58 HydrophobicContact CD1-CB 4.25Å; I8-N58 VanDerWaalsContact CD1-O 3.27Å; I8-N58 WeakPolarHBondContact CD1-O 3.27Å; I8-N58 HydrophobicContact CG1-CB 4.21Å; I8-N61 HydrophobicContact CD1-CB 3.88Å; I8-A62 HydrophobicContact CD1-CB 4.22Å; I8-A62 HydrophobicContact CG1-CB 4.46Å; I8-A62 HydrophobicContact CG2-CB 3.92Å; I8-F66 HydrophobicContact CG2-CE2 4.14Å
9	E	98.6	Very high	93.6	Very high	69 Å²	69	63 Å²	63	32%	0.322	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.1	-179.4	-168.8	176.5	-168.5	0	0	110.6	P6 L11 V16 R17	P6-E9 HydrophobicContact CB-CB 4.37Å; E9-L11 HydrophobicContact CB-CD2 4.25Å; E9-L11 HydrophobicContact CG-CD2 3.83Å; E9-L11 PolarHBondContact O-N 3.31Å; E9-V16 CarbonylContact O-C 3.57Å; E9-V16 WeakPolarHBondContact O-CA 3.35Å; E9-R17 PolarHBondContact N-O 2.97Å; E9-R17 PolarHBondContact O-N 3.3Å; E9-R17 IonicContact OE2-CZ 3.51Å; E9-R17 IonicContact OE2-NE 3.72Å; E9-R17 IonicContact OE2-NH2 3.99Å; E9-R17 PolarHBondContact OE2-NH2 3.18Å
10	Q	98.7	Very high	93.8	Very high	108 Å²	108	59.9 Å²	59.9	51%	0.505	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.8	168.3	-176.9	172.8	7.4	0	0	108.7	S12 V16 F66	Q10-S12 WeakPolarHBondContact CG-O 3.43Å; Q10-S12 PolarHBondContact NE2-O 3.18Å; Q10-V16 HydrophobicContact CB-CG2 4.3Å; Q10-V16 HydrophobicContact CG-CG2 4.21Å; Q10-F66 HydrophobicContact CB-CE1 4.16Å; Q10-F66 HydrophobicContact CB-CZ 4Å; Q10-F66 HydrophobicContact CG-CE1 4.44Å
11	L	98.7	Very high	94	Very high	42 Å²	42	58.1 Å²	58.1	22%	0.22	31%	0.307	C	S	.	.			trans	-89.4	-29.9	-176.4	-59.3	178.9	0	0	0	112.1	E9 V15 R17 Y34 Y193 V199	E9-L11 HydrophobicContact CB-CD2 4.25Å; E9-L11 HydrophobicContact CG-CD2 3.83Å; E9-L11 PolarHBondContact O-N 3.31Å; L11-V15 HydrophobicContact CB-CB 4.48Å; L11-V15 HydrophobicContact CB-CG1 4.43Å; L11-V15 HydrophobicContact CD1-CG1 4.26Å; L11-V15 PolarHBondContact N-O 3.27Å; L11-R17 HydrophobicContact CD1-CB 3.71Å; L11-R17 HydrophobicContact CG-CB 4.13Å; L11-Y34 HydrophobicContact CD1-CD1 4.39Å; L11-Y34 HydrophobicContact CD1-CE1 3.86Å; L11-Y193 HydrophobicContact CB-CE1 4Å; L11-Y193 HydrophobicContact CD1-CD1 3.79Å; L11-Y193 HydrophobicContact CD1-CE1 3.73Å; L11-V199 HydrophobicContact CD1-CG2 3.82Å; L11-V199 HydrophobicContact CD2-CG2 4.08Å
12	S	98.8	Very high	96.1	Very high	26 Å²	26	47 Å²	47	18%	0.182	25%	0.252	C	S	.	.	S	Bend	trans	-151.7	-174.7	176.8	76.2	0	0	0	0	111.4	Q10 R14 V15 E154	Q10-S12 WeakPolarHBondContact CG-O 3.43Å; Q10-S12 PolarHBondContact NE2-O 3.18Å; S12-R14 PolarHBondContact O-N 2.79Å; S12-R14 PolarHBondContact OG-N 3.45Å; S12-R14 VanDerWaalsContact OG-N 3.15Å; S12-V15 PolarHBondContact N-O 3.15Å; S12-V15 WeakPolarHBondContact OG-CB 3.39Å; S12-V15 WeakPolarHBondContact OG-CG2 3.43Å; S12-V15 PolarHBondContact OG-N 3.27Å; S12-E154 WeakPolarHBondContact CB-OE1 3.45Å; S12-E154 VanDerWaalsContact CB-OE2 3.24Å; S12-E154 WeakPolarHBondContact CB-OE2 3.23Å; S12-E154 PolarHBondContact OG-OE1 3.26Å; S12-E154 PolarHBondContact OG-OE2 3.11Å
13	A	98.1	Very high	97.4	Very high	66 Å²	66	46.6 Å²	46.6	55%	0.545	25%	0.252	S	S	.	.	S	Bend	trans	-63.7	-23.9	172.6	0	0	0	0	0	112.5
14	R	98.8	Very high	97.9	Very high	66 Å²	66	46.1 Å²	46.1	25%	0.249	25%	0.25	C	S	.	.	S	Bend	trans	-110.9	-23.4	-176.6	-64	171.4	176.8	77.7	1.8	113.9	S12 V36 G37 T38 G131 L151 E154	S12-R14 PolarHBondContact O-N 2.79Å; S12-R14 PolarHBondContact OG-N 3.45Å; S12-R14 VanDerWaalsContact OG-N 3.15Å; R14-V36 CarbonylContact O-C 3.56Å; R14-V36 WeakPolarHBondContact O-CA 3.3Å; R14-G37 PolarHBondContact O-N 2.92Å; R14-T38 HydrophobicContact CG-CG2 3.9Å; R14-G131 VanDerWaalsContact CD-O 3.22Å; R14-G131 WeakPolarHBondContact CD-O 3.23Å; R14-G131 PolarHBondContact NE-O 3.47Å; R14-L151 HydrophobicContact CB-CD2 4.49Å; R14-E154 WeakPolarHBondContact CB-OE1 3.37Å; R14-E154 WeakPolarHBondContact CD-OE1 3.41Å; R14-E154 WeakPolarHBondContact CG-OE1 3.44Å; R14-E154 IonicContact NH1-OE1 3.41Å
15	V	98.9	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121	-168.9	-174.4	0	0	0	0	110.9	L11 S12 Y34 L151 F158 Y193	L11-V15 HydrophobicContact CB-CB 4.48Å; L11-V15 HydrophobicContact CB-CG1 4.43Å; L11-V15 HydrophobicContact CD1-CG1 4.26Å; L11-V15 PolarHBondContact N-O 3.27Å; S12-V15 PolarHBondContact N-O 3.15Å; S12-V15 WeakPolarHBondContact OG-CB 3.39Å; S12-V15 WeakPolarHBondContact OG-CG2 3.43Å; S12-V15 PolarHBondContact OG-N 3.27Å; V15-Y34 HydrophobicContact CG1-CD1 3.68Å; V15-Y34 HydrophobicContact CG1-CE1 4.4Å; V15-Y34 HydrophobicContact CG1-CG 4.47Å; V15-L151 HydrophobicContact CG2-CD2 3.81Å; V15-F158 HydrophobicContact CG1-CE1 4Å; V15-F158 HydrophobicContact CG1-CZ 4.12Å; V15-F158 HydrophobicContact CG2-CZ 3.82Å; V15-Y193 HydrophobicContact CB-CE2 4.35Å; V15-Y193 HydrophobicContact CG1-CD2 4.49Å; V15-Y193 HydrophobicContact CG1-CE1 4.36Å; V15-Y193 HydrophobicContact CG1-CE2 4.29Å; V15-Y193 HydrophobicContact CG2-CD2 4.49Å; V15-Y193 HydrophobicContact CG2-CE2 3.82Å
16	V	98.9	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.4	167.4	176.1	0	0	0	0	107.9	I8 E9 Q10 Y34 L35 F66	I8-V16 HydrophobicContact CG2-CG1 4.26Å; E9-V16 CarbonylContact O-C 3.57Å; E9-V16 WeakPolarHBondContact O-CA 3.35Å; Q10-V16 HydrophobicContact CB-CG2 4.3Å; Q10-V16 HydrophobicContact CG-CG2 4.21Å; V16-Y34 CarbonylContact O-C 3.59Å; V16-Y34 WeakPolarHBondContact O-CA 3.34Å; V16-L35 HydrophobicContact CB-CB 4.25Å; V16-L35 PolarHBondContact N-O 3.1Å; V16-L35 PolarHBondContact O-N 3.07Å; V16-F66 HydrophobicContact CB-CD2 4.48Å; V16-F66 HydrophobicContact CB-CE2 4.28Å; V16-F66 HydrophobicContact CG1-CD2 3.92Å; V16-F66 HydrophobicContact CG1-CE2 3.46Å; V16-F66 VanDerWaalsContact CG1-CE2 3.46Å; V16-F66 HydrophobicContact CG1-CZ 4.07Å; V16-F66 HydrophobicContact CG2-CD1 4.18Å; V16-F66 HydrophobicContact CG2-CD2 3.94Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.81Å; V16-F66 HydrophobicContact CG2-CG 4.15Å; V16-F66 HydrophobicContact CG2-CZ 3.85Å
17	R	98.9	Very high	97.9	Very high	7 Å²	7	47 Å²	47	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.2	173.1	177.3	176.3	58.1	-177.6	-3	110.6	I5 I8 E9 L11 N32 T33 Y34 G197	I5-R17 VanDerWaalsContact CG2-NH2 3.34Å; I8-R17 WeakPolarHBondContact CA-O 3.5Å; E9-R17 PolarHBondContact N-O 2.97Å; E9-R17 PolarHBondContact O-N 3.3Å; E9-R17 IonicContact OE2-CZ 3.51Å; E9-R17 IonicContact OE2-NE 3.72Å; E9-R17 IonicContact OE2-NH2 3.99Å; E9-R17 PolarHBondContact OE2-NH2 3.18Å; L11-R17 HydrophobicContact CD1-CB 3.71Å; L11-R17 HydrophobicContact CG-CB 4.13Å; R17-N32 VanDerWaalsContact CD-OD1 3.26Å; R17-N32 WeakPolarHBondContact CD-OD1 3.44Å; R17-N32 HydrophobicContact CG-CB 4.24Å; R17-T33 CarbonylContact C-O 3.55Å; R17-T33 WeakPolarHBondContact CA-O 3.27Å; R17-Y34 HydrophobicContact CB-CD1 3.98Å; R17-Y34 HydrophobicContact CB-CE1 3.91Å; R17-Y34 HydrophobicContact CG-CD1 4.35Å; R17-Y34 HydrophobicContact CG-CE1 4.02Å; R17-G197 PolarHBondContact NH1-O 3.45Å
18	V	98.9	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.7	167.2	-174.6	0	0	0	0	108.1	R7 I8 T33 L35 Y55 N58 L59 A62	R7-V18 CarbonylContact O-C 3.56Å; R7-V18 WeakPolarHBondContact O-CA 3.27Å; I8-V18 HydrophobicContact CG1-CG1 4.47Å; V18-T33 PolarHBondContact N-O 3.41Å; V18-T33 PolarHBondContact O-N 3.38Å; V18-T33 PolarHBondContact O-OG1 3.11Å; V18-L35 HydrophobicContact CG2-CD1 4.49Å; V18-Y55 HydrophobicContact CG1-CD2 4.15Å; V18-Y55 HydrophobicContact CG1-CE2 4.04Å; V18-N58 HydrophobicContact CG1-CB 3.83Å; V18-L59 HydrophobicContact CG1-CB 4.45Å; V18-L59 HydrophobicContact CG2-CD1 4.37Å; V18-A62 HydrophobicContact CG2-CB 3.58Å
19	L	98.7	Very high	97.8	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.6	-179.7	-162.9	68.7	0	0	0	110.2	I5 R7 C21 Q29 T31 N32	I5-L19 HydrophobicContact CG2-CD1 4.03Å; I5-L19 HydrophobicContact CG2-CD2 4.29Å; R7-L19 PolarHBondContact O-N 3.04Å; L19-C21 PolarHBondContact O-N 3Å; L19-C21 VanDerWaalsContact O-N 3.14Å; L19-Q29 HydrophobicContact CD2-CB 4.45Å; L19-Q29 WeakPolarHBondContact CD2-O 3.13Å; L19-T31 CarbonylContact C-O 3.51Å; L19-N32 WeakPolarHBondContact CD1-OD1 3.42Å
20	G	98.6	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.			trans	-67.8	-5.8	179.9	0	0	0	0	0	114.7	N22 T31 I52 Y55	G20-N22 WeakPolarHBondContact CA-OD1 3.25Å; G20-N22 PolarHBondContact O-N 3.15Å; G20-N22 PolarHBondContact O-OD1 3.34Å; G20-T31 PolarHBondContact N-O 2.83Å; G20-I52 WeakPolarHBondContact O-CG2 3.16Å; G20-Y55 WeakPolarHBondContact O-CB 3.27Å
21	C	97.9	Very high	97.8	Very high	23 Å²	23	34 Å²	34	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	55.3	32.2	178.7	-64.2	0	0	0	0	114.4	L19 P23 I52 E54 N58	L19-C21 PolarHBondContact O-N 3Å; L19-C21 VanDerWaalsContact O-N 3.14Å; C21-P23 VanDerWaalsContact C-CD 3.42Å; C21-P23 WeakPolarHBondContact O-CD 3.35Å; C21-I52 HydrophobicContact CB-CG2 4.12Å; C21-E54 HydrophobicContact CB-CB 4.14Å; C21-E54 HydrophobicContact CB-CG 4.19Å; C21-E54 PolarHBondContact SG-OE1 3.23Å; C21-N58 PolarHBondContact SG-ND2 3.45Å
22	N	98.1	Very high	97.8	Very high	8 Å²	8	32 Å²	32	4%	0.043	19%	0.194	C	C	.	.			trans	-122.9	62.5	-177.6	60.3	-44.8	0	0	0	111.4	G20 T27 G30 T31 E49	G20-N22 WeakPolarHBondContact CA-OD1 3.25Å; G20-N22 PolarHBondContact O-N 3.15Å; G20-N22 PolarHBondContact O-OD1 3.34Å; N22-T27 WeakPolarHBondContact O-CB 3.34Å; N22-T27 PolarHBondContact O-OG1 2.99Å; N22-G30 WeakPolarHBondContact OD1-CA 3.34Å; N22-T31 PolarHBondContact ND2-OG1 3.05Å; N22-T31 PolarHBondContact OD1-N 3.06Å; N22-T31 PolarHBondContact OD1-OG1 2.94Å; N22-E49 HydrophobicContact CB-CB 4.16Å; N22-E49 HydrophobicContact CB-CG 4.15Å; N22-E49 WeakPolarHBondContact CB-OE1 3.35Å; N22-E49 WeakPolarHBondContact ND2-CG 3.47Å; N22-E49 PolarHBondContact ND2-OE1 3.04Å
23	P	97.6	Very high	97.8	Very high	97 Å²	97	30.8 Å²	30.8	63%	0.63	19%	0.185	S	C	*	.			trans	-68.2	143.2	-177.5	30	-35.8	0	0	0	111.7	C21 L28	C21-P23 VanDerWaalsContact C-CD 3.42Å; C21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-L28 CarbonylContact C-O 3.56Å; P23-L28 VanDerWaalsContact CA-O 3.24Å; P23-L28 WeakPolarHBondContact CA-O 3.35Å; P23-L28 WeakPolarHBondContact CB-O 3.47Å
24	G	96.1	Very high	97.9	Very high	26 Å²	26	27.8 Å²	27.8	27%	0.268	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-173.3	173	-176.1	0	0	0	0	0	113.5	M26 T27 L28	G24-M26 PolarHBondContact O-N 2.78Å; G24-T27 WeakPolarHBondContact CA-OG1 3.38Å; G24-T27 PolarHBondContact N-OG1 2.82Å; G24-T27 PolarHBondContact O-N 2.82Å; G24-L28 PolarHBondContact N-O 3.37Å; G24-L28 WeakPolarHBondContact O-CA 3.49Å; G24-L28 PolarHBondContact O-N 3.29Å
25	P	93.3	Very high	97.9	Very high	134 Å²	134	24.7 Å²	24.7	87%	0.87	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.4	179.8	-24.6	34.6	0	0	0	114
26	M	94.7	Very high	97.9	Very high	117 Å²	117	24.7 Å²	24.7	58%	0.576	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-34.6	179.6	-61.3	-55.8	-62.2	0	0	112.3	G24 V170	G24-M26 PolarHBondContact O-N 2.78Å; M26-V170 HydrophobicContact CE-CG1 4Å; M26-V170 HydrophobicContact CE-CG2 3.72Å
27	T	97.1	Very high	97.9	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.4	-174.5	54.1	0	0	0	0	113.7	N22 G24 Q29 G30 D81 H196	N22-T27 WeakPolarHBondContact O-CB 3.34Å; N22-T27 PolarHBondContact O-OG1 2.99Å; G24-T27 WeakPolarHBondContact CA-OG1 3.38Å; G24-T27 PolarHBondContact N-OG1 2.82Å; G24-T27 PolarHBondContact O-N 2.82Å; T27-Q29 PolarHBondContact O-N 3.13Å; T27-G30 CarbonylContact O-C 3.57Å; T27-G30 WeakPolarHBondContact O-CA 3.14Å; T27-G30 PolarHBondContact O-N 3.22Å; T27-G30 VanDerWaalsContact O-O 3.11Å; T27-D81 HydrophobicContact CG2-CB 3.98Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.44Å; T27-H196 WeakPolarHBondContact CA-ND1 3.45Å; T27-H196 PolarHBondContact O-ND1 3.38Å; T27-H196 VanDerWaalsContact O-ND1 3.12Å
28	L	96.9	Very high	97.8	Very high	53 Å²	53	27 Å²	27	28%	0.277	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	55.3	-117.2	-177	-52.6	178.4	0	0	0	111.8	P23 G24 G30 E166 H196	P23-L28 CarbonylContact C-O 3.56Å; P23-L28 VanDerWaalsContact CA-O 3.24Å; P23-L28 WeakPolarHBondContact CA-O 3.35Å; P23-L28 WeakPolarHBondContact CB-O 3.47Å; G24-L28 PolarHBondContact N-O 3.37Å; G24-L28 WeakPolarHBondContact O-CA 3.49Å; G24-L28 PolarHBondContact O-N 3.29Å; L28-G30 PolarHBondContact O-N 3.48Å; L28-E166 HydrophobicContact CD1-CB 4.12Å; L28-H196 HydrophobicContact CB-CB 4.38Å; L28-H196 HydrophobicContact CD1-CB 3.95Å; L28-H196 HydrophobicContact CG-CB 4.15Å
29	Q	97.7	Very high	97.8	Very high	28 Å²	28	27.3 Å²	27.3	13%	0.131	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.1	175.3	-58.6	85.9	-11.1	0	0	112.9	T2 A3 I5 L19 T27 E166	T2-Q29 HydrophobicContact CG2-CG 4.27Å; A3-Q29 PolarHBondContact O-NE2 3.4Å; I5-Q29 HydrophobicContact CD1-CB 4.19Å; I5-Q29 HydrophobicContact CD1-CG 4.08Å; I5-Q29 HydrophobicContact CG1-CG 4.45Å; L19-Q29 HydrophobicContact CD2-CB 4.45Å; L19-Q29 WeakPolarHBondContact CD2-O 3.13Å; T27-Q29 PolarHBondContact O-N 3.13Å; Q29-E166 PolarHBondContact NE2-OE1 3.38Å
30	G	98.3	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.			trans	135.1	170.1	-175.1	0	0	0	0	0	111.4	N22 T27 L28 N32 H196	N22-G30 WeakPolarHBondContact OD1-CA 3.34Å; T27-G30 CarbonylContact O-C 3.57Å; T27-G30 WeakPolarHBondContact O-CA 3.14Å; T27-G30 PolarHBondContact O-N 3.22Å; T27-G30 VanDerWaalsContact O-O 3.11Å; L28-G30 PolarHBondContact O-N 3.48Å; G30-N32 PolarHBondContact O-N 2.96Å; G30-H196 PolarHBondContact O-ND1 3.49Å
31	T	98.9	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-67	127.6	174.1	-46.4	0	0	0	0	109.9	L19 G20 N22 T33 D46 D81	L19-T31 CarbonylContact C-O 3.51Å; G20-T31 PolarHBondContact N-O 2.83Å; N22-T31 PolarHBondContact ND2-OG1 3.05Å; N22-T31 PolarHBondContact OD1-N 3.06Å; N22-T31 PolarHBondContact OD1-OG1 2.94Å; T31-T33 HydrophobicContact CG2-CG2 4.37Å; T31-T33 PolarHBondContact O-N 2.84Å; T31-D46 HydrophobicContact CG2-CB 4.46Å; T31-D81 WeakPolarHBondContact CB-O 3.42Å; T31-D81 VanDerWaalsContact CG2-O 3.23Å; T31-D81 WeakPolarHBondContact CG2-O 3.28Å; T31-D81 PolarHBondContact OG1-O 2.8Å
32	N	98.9	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.2	167.4	-62.9	-36.3	0	0	0	108.6	R17 L19 G30 Y34 P194 G195 G197	R17-N32 VanDerWaalsContact CD-OD1 3.26Å; R17-N32 WeakPolarHBondContact CD-OD1 3.44Å; R17-N32 HydrophobicContact CG-CB 4.24Å; L19-N32 WeakPolarHBondContact CD1-OD1 3.42Å; G30-N32 PolarHBondContact O-N 2.96Å; N32-Y34 HydrophobicContact CB-CE1 4.37Å; N32-Y34 HydrophobicContact CB-CE2 3.65Å; N32-Y34 VanDerWaalsContact CB-OH 3.3Å; N32-Y34 WeakPolarHBondContact CB-OH 3.36Å; N32-Y34 PolarHBondContact ND2-OH 2.74Å; N32-Y34 WeakPolarHBondContact O-CE2 3.4Å; N32-P194 WeakPolarHBondContact CB-O 3.24Å; N32-P194 PolarHBondContact ND2-O 3.1Å; N32-G195 WeakPolarHBondContact CB-O 3.26Å; N32-G195 PolarHBondContact N-O 3.13Å; N32-G197 PolarHBondContact ND2-O 3.48Å
33	T	98.9	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149	168.4	73.1	0	0	0	0	109.3	R17 V18 T31 I45 D46 Y55	R17-T33 CarbonylContact C-O 3.55Å; R17-T33 WeakPolarHBondContact CA-O 3.27Å; V18-T33 PolarHBondContact N-O 3.41Å; V18-T33 PolarHBondContact O-N 3.38Å; V18-T33 PolarHBondContact O-OG1 3.11Å; T31-T33 HydrophobicContact CG2-CG2 4.37Å; T31-T33 PolarHBondContact O-N 2.84Å; T33-I45 VanDerWaalsContact CA-O 3.28Å; T33-I45 WeakPolarHBondContact CA-O 3.43Å; T33-I45 WeakPolarHBondContact CB-O 3.44Å; T33-D46 HydrophobicContact CG2-CB 4.49Å; T33-Y55 HydrophobicContact CG2-CE2 3.88Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.24Å
34	Y	99	Very high	97.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126	-172.1	-59	-84.3	0	0	0	112.5	L11 V15 V16 R17 N32 L44 I45 F158 Y193 P194	L11-Y34 HydrophobicContact CD1-CD1 4.39Å; L11-Y34 HydrophobicContact CD1-CE1 3.86Å; V15-Y34 HydrophobicContact CG1-CD1 3.68Å; V15-Y34 HydrophobicContact CG1-CE1 4.4Å; V15-Y34 HydrophobicContact CG1-CG 4.47Å; V16-Y34 CarbonylContact O-C 3.59Å; V16-Y34 WeakPolarHBondContact O-CA 3.34Å; R17-Y34 HydrophobicContact CB-CD1 3.98Å; R17-Y34 HydrophobicContact CB-CE1 3.91Å; R17-Y34 HydrophobicContact CG-CD1 4.35Å; R17-Y34 HydrophobicContact CG-CE1 4.02Å; N32-Y34 HydrophobicContact CB-CE1 4.37Å; N32-Y34 HydrophobicContact CB-CE2 3.65Å; N32-Y34 VanDerWaalsContact CB-OH 3.3Å; N32-Y34 WeakPolarHBondContact CB-OH 3.36Å; N32-Y34 PolarHBondContact ND2-OH 2.74Å; N32-Y34 WeakPolarHBondContact O-CE2 3.4Å; Y34-L44 CarbonylContact O-C 3.57Å; Y34-L44 WeakPolarHBondContact O-CA 3.39Å; Y34-I45 PolarHBondContact N-O 2.97Å; Y34-I45 PolarHBondContact O-N 3.36Å; Y34-F158 HydrophobicContact CD1-CD1 4.34Å; Y34-F158 AromaticContact CD1-CE1 3.83Å; Y34-F158 HydrophobicContact CD1-CE1 3.83Å; Y34-F158 AromaticContact CD2-CD1 3.66Å; Y34-F158 HydrophobicContact CD2-CD1 3.66Å; Y34-F158 AromaticContact CD2-CE1 3.92Å; Y34-F158 HydrophobicContact CD2-CE1 3.92Å; Y34-F158 HydrophobicContact CE1-CE1 4.39Å; Y34-F158 HydrophobicContact CE2-CD1 4.03Å; Y34-F158 HydrophobicContact CE2-CE1 4.47Å; Y34-F158 AromaticContact CG-CD1 3.82Å; Y34-F158 HydrophobicContact CG-CD1 3.82Å; Y34-F158 AromaticContact CG-CE1 3.55Å; Y34-F158 HydrophobicContact CG-CE1 3.55Å; Y34-Y193 HydrophobicContact CE1-CD1 4.2Å; Y34-Y193 HydrophobicContact CE1-CG 4.27Å; Y34-P194 PolarHBondContact OH-O 2.75Å
35	L	98.9	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.8	164.6	-69.5	167.9	0	0	0	108.7	V16 V18 V43 L44 L59 A62 L63 I70	V16-L35 HydrophobicContact CB-CB 4.25Å; V16-L35 PolarHBondContact N-O 3.1Å; V16-L35 PolarHBondContact O-N 3.07Å; V18-L35 HydrophobicContact CG2-CD1 4.49Å; L35-V43 CarbonylContact C-O 3.57Å; L35-V43 WeakPolarHBondContact CA-O 3.33Å; L35-L44 HydrophobicContact CD2-CB 4.33Å; L35-L44 HydrophobicContact CD2-CD1 3.95Å; L35-L44 HydrophobicContact CG-CD1 4.27Å; L35-L59 HydrophobicContact CD1-CD1 4.22Å; L35-L59 HydrophobicContact CD2-CD1 4.41Å; L35-L59 HydrophobicContact CG-CD1 4.43Å; L35-A62 HydrophobicContact CD1-CB 4.16Å; L35-L63 HydrophobicContact CD1-CD2 3.89Å; L35-L63 HydrophobicContact CD2-CD2 3.9Å; L35-I70 HydrophobicContact CD2-CG1 4.45Å
36	V	98.9	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	-174.3	-172.1	0	0	0	0	111	R14 R42 V43 I45 T129 A132 L134 L151 F158	R14-V36 CarbonylContact O-C 3.56Å; R14-V36 WeakPolarHBondContact O-CA 3.3Å; V36-R42 CarbonylContact O-C 3.56Å; V36-R42 WeakPolarHBondContact O-CA 3.44Å; V36-R42 VanDerWaalsContact O-CB 3.22Å; V36-R42 WeakPolarHBondContact O-CB 3.22Å; V36-V43 PolarHBondContact N-O 2.96Å; V36-V43 PolarHBondContact O-N 3.24Å; V36-I45 HydrophobicContact CG2-CD1 3.66Å; V36-I45 HydrophobicContact CG2-CG1 4.25Å; V36-T129 WeakPolarHBondContact O-CG2 3.28Å; V36-A132 HydrophobicContact CG1-CB 3.82Å; V36-L134 HydrophobicContact CB-CD1 4.45Å; V36-L134 HydrophobicContact CG1-CD1 4.34Å; V36-L134 HydrophobicContact CG1-CD2 4.29Å; V36-L134 HydrophobicContact CG1-CG 4.49Å; V36-L151 HydrophobicContact CG1-CD1 4.2Å; V36-L151 HydrophobicContact CG1-CD2 4.43Å; V36-F158 HydrophobicContact CG1-CZ 4.46Å; V36-F158 HydrophobicContact CG2-CE1 4.07Å; V36-F158 HydrophobicContact CG2-CE2 3.99Å; V36-F158 HydrophobicContact CG2-CZ 3.47Å; V36-F158 VanDerWaalsContact CG2-CZ 3.47Å
37	G	98.8	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.			trans	126.8	171.8	179.4	0	0	0	0	0	112	R14 R42 E130	R14-G37 PolarHBondContact O-N 2.92Å; G37-R42 VanDerWaalsContact O-CD 3.3Å; G37-R42 WeakPolarHBondContact O-CD 3.34Å; G37-R42 PolarHBondContact O-NE 2.96Å; G37-R42 VanDerWaalsContact O-NE 3.1Å; G37-R42 PolarHBondContact O-NH1 2.89Å; G37-E130 CarbonylContact C-O 3.45Å; G37-E130 WeakPolarHBondContact CA-O 3.35Å
38	T	98.8	Very high	98.6	Very high	56 Å²	56	21.9 Å²	21.9	34%	0.344	10%	0.103	S	C	.	.	S	Bend	trans	-107.1	-22.8	-179.1	60.7	0	0	0	0	112.9	R14 R42 E130	R14-T38 HydrophobicContact CG-CG2 3.9Å; T38-R42 PolarHBondContact O-NH2 2.95Å; T38-E130 PolarHBondContact N-O 2.9Å; T38-E130 PolarHBondContact OG1-O 3.46Å
39	G	97.8	Very high	98.6	Very high	7 Å²	7	22.4 Å²	22.4	7%	0.072	10%	0.104	C	C	.	.	S	Bend	trans	-82.3	-169.7	-171.1	0	0	0	0	0	116.2	R41 R42 T68 E130	G39-R41 VanDerWaalsContact C-N 3.25Å; G39-R41 PolarHBondContact O-N 2.97Å; G39-R42 PolarHBondContact O-NE 2.86Å; G39-T68 PolarHBondContact O-OG1 2.81Å; G39-E130 VanDerWaalsContact CA-OE1 3.27Å; G39-E130 WeakPolarHBondContact CA-OE1 3.46Å; G39-E130 VanDerWaalsContact CA-OE2 3.27Å; G39-E130 WeakPolarHBondContact CA-OE2 3.4Å
40	Q	98	Very high	98.6	Very high	155 Å²	155	24.2 Å²	24.2	72%	0.724	12%	0.118	S	C	*	.	S	Bend	trans	-76.4	-10	178.2	-61.5	-179.7	19.2	0	0	113.5	T68 S69	Q40-T68 CarbonylContact O-C 3.6Å; Q40-T68 WeakPolarHBondContact O-CA 3.33Å; Q40-T68 PolarHBondContact O-OG1 3.15Å; Q40-S69 PolarHBondContact O-N 3.11Å; Q40-S69 PolarHBondContact O-OG 3.15Å
41	R	98.4	Very high	98.5	Very high	135 Å²	135	27.7 Å²	27.7	51%	0.509	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.2	171.3	-55.9	-169.9	67.2	-156.2	-2.6	107.5	G39 S69 Q71 T129	G39-R41 VanDerWaalsContact C-N 3.25Å; G39-R41 PolarHBondContact O-N 2.97Å; R41-S69 CarbonylContact C-O 3.59Å; R41-S69 WeakPolarHBondContact CA-O 3.4Å; R41-Q71 HydrophobicContact CB-CB 4.01Å; R41-Q71 PolarHBondContact NH2-O 3.31Å; R41-Q71 VanDerWaalsContact NH2-O 3.15Å; R41-T129 PolarHBondContact O-OG1 3.41Å; R41-T129 VanDerWaalsContact O-OG1 3.07Å
42	R	98.8	Very high	98.5	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.068	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.4	-176.6	-71.5	-176.7	-162.4	-161.2	-3	111.2	V36 G37 T38 G39 T68 S69 I70 Q71	V36-R42 CarbonylContact O-C 3.56Å; V36-R42 WeakPolarHBondContact O-CA 3.44Å; V36-R42 VanDerWaalsContact O-CB 3.22Å; V36-R42 WeakPolarHBondContact O-CB 3.22Å; G37-R42 VanDerWaalsContact O-CD 3.3Å; G37-R42 WeakPolarHBondContact O-CD 3.34Å; G37-R42 PolarHBondContact O-NE 2.96Å; G37-R42 VanDerWaalsContact O-NE 3.1Å; G37-R42 PolarHBondContact O-NH1 2.89Å; T38-R42 PolarHBondContact O-NH2 2.95Å; G39-R42 PolarHBondContact O-NE 2.86Å; R42-T68 WeakPolarHBondContact CG-OG1 3.38Å; R42-S69 PolarHBondContact N-O 2.96Å; R42-I70 CarbonylContact O-C 3.57Å; R42-I70 WeakPolarHBondContact O-CA 3.29Å; R42-Q71 WeakPolarHBondContact O-CB 3.48Å; R42-Q71 PolarHBondContact O-N 2.8Å
43	V	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.2	173.3	174.1	0	0	0	0	108.7	L35 V36 I45 E72 I74 I127 T129 L134	L35-V43 CarbonylContact C-O 3.57Å; L35-V43 WeakPolarHBondContact CA-O 3.33Å; V36-V43 PolarHBondContact N-O 2.96Å; V36-V43 PolarHBondContact O-N 3.24Å; V43-I45 HydrophobicContact CG1-CG1 4.26Å; V43-E72 HydrophobicContact CG1-CG 4.5Å; V43-E72 HydrophobicContact CG2-CG 4.07Å; V43-I74 HydrophobicContact CG1-CB 4.47Å; V43-I74 HydrophobicContact CG1-CG1 3.6Å; V43-I127 HydrophobicContact CG2-CG2 3.92Å; V43-T129 HydrophobicContact CG2-CG2 4.04Å; V43-L134 HydrophobicContact CB-CD1 4.25Å; V43-L134 HydrophobicContact CG1-CD1 3.97Å; V43-L134 HydrophobicContact CG2-CD1 4.48Å
44	L	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.9	168.1	179.9	66.9	0	0	0	109.2	Y34 L35 L59 I70 E72 I73 I74 I89	Y34-L44 CarbonylContact O-C 3.57Å; Y34-L44 WeakPolarHBondContact O-CA 3.39Å; L35-L44 HydrophobicContact CD2-CB 4.33Å; L35-L44 HydrophobicContact CD2-CD1 3.95Å; L35-L44 HydrophobicContact CG-CD1 4.27Å; L44-L59 HydrophobicContact CD1-CD1 4.28Å; L44-L59 HydrophobicContact CD2-CD2 4.12Å; L44-I70 HydrophobicContact CB-CG1 4.47Å; L44-I70 HydrophobicContact CB-CG2 4.16Å; L44-I70 HydrophobicContact CD2-CD1 3.95Å; L44-E72 PolarHBondContact N-O 2.83Å; L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.3Å; L44-I73 CarbonylContact O-C 3.11Å; L44-I73 WeakPolarHBondContact O-CA 3.3Å; L44-I74 PolarHBondContact O-N 2.79Å; L44-I89 HydrophobicContact CD2-CD1 3.73Å
45	I	98.9	Very high	98.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.3	173.1	-54.5	171.6	0	0	0	108.6	T33 Y34 V36 V43 I74 T76 L134 L149 F158	T33-I45 VanDerWaalsContact CA-O 3.28Å; T33-I45 WeakPolarHBondContact CA-O 3.43Å; T33-I45 WeakPolarHBondContact CB-O 3.44Å; Y34-I45 PolarHBondContact N-O 2.97Å; Y34-I45 PolarHBondContact O-N 3.36Å; V36-I45 HydrophobicContact CG2-CD1 3.66Å; V36-I45 HydrophobicContact CG2-CG1 4.25Å; V43-I45 HydrophobicContact CG1-CG1 4.26Å; I45-I74 CarbonylContact C-O 3.54Å; I45-I74 WeakPolarHBondContact CA-O 3.32Å; I45-T76 HydrophobicContact CG2-CG2 4.07Å; I45-L134 HydrophobicContact CD1-CD1 4.22Å; I45-L149 HydrophobicContact CD1-CD1 3.67Å; I45-L149 HydrophobicContact CG1-CD1 3.95Å; I45-L149 HydrophobicContact CG2-CD1 4.06Å; I45-F158 HydrophobicContact CD1-CB 4.18Å; I45-F158 HydrophobicContact CD1-CD1 3.73Å; I45-F158 HydrophobicContact CD1-CD2 3.57Å; I45-F158 HydrophobicContact CD1-CE1 3.96Å; I45-F158 HydrophobicContact CD1-CE2 3.78Å; I45-F158 HydrophobicContact CD1-CG 3.53Å; I45-F158 HydrophobicContact CD1-CZ 3.98Å
46	D	98.9	Very high	98.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	21%	0.208	C	C	.	.			trans	58.3	166.7	-175.5	-65.8	-28.7	0	0	0	115.2	T31 T33 I74 V75 T76 H82	T31-D46 HydrophobicContact CG2-CB 4.46Å; T33-D46 HydrophobicContact CG2-CB 4.49Å; D46-I74 PolarHBondContact N-O 3.36Å; D46-V75 WeakPolarHBondContact OD1-CA 3.39Å; D46-T76 PolarHBondContact OD1-N 3.36Å; D46-T76 PolarHBondContact OD1-OG1 2.78Å; D46-T76 VanDerWaalsContact OD2-CG2 3.24Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T76 PolarHBondContact OD2-OG1 2.8Å; D46-H82 HydrophobicContact CB-CB 4.34Å; D46-H82 VanDerWaalsContact CG-ND1 3.26Å; D46-H82 IonicContact OD1-ND1 2.68Å; D46-H82 IonicContact OD2-CE1 3.22Å; D46-H82 IonicContact OD2-CG 2.73Å; D46-H82 IonicContact OD2-ND1 3.23Å; D46-H82 PolarHBondContact OD2-ND1 3.31Å
47	T	98.7	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.			trans	-134.6	1.1	-168.2	65.1	0	0	0	0	115.8	Y55 I73 H82 T83 G85 V86 I89	T47-Y55 WeakPolarHBondContact O-CE1 3.47Å; T47-I73 HydrophobicContact CG2-CG2 3.54Å; T47-H82 PolarHBondContact N-O 3.38Å; T47-H82 PolarHBondContact OG1-O 3.4Å; T47-T83 PolarHBondContact OG1-O 3Å; T47-G85 WeakPolarHBondContact O-CA 3.26Å; T47-G85 PolarHBondContact OG1-N 2.92Å; T47-V86 HydrophobicContact CG2-CG2 3.63Å; T47-V86 PolarHBondContact OG1-N 2.67Å; T47-I89 HydrophobicContact CG2-CD1 3.53Å
48	G	98.4	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.			trans	71.2	-168.6	-176.9	0	0	0	0	0	112.8	D81 G84 G85	G48-D81 CarbonylContact C-O 3.57Å; G48-D81 WeakPolarHBondContact CA-O 3.28Å; G48-D81 PolarHBondContact N-O 3.12Å; G48-D81 CarbonylContact O-C 3.32Å; G48-G84 WeakPolarHBondContact O-CA 3.39Å; G48-G84 PolarHBondContact O-N 3.25Å; G48-G84 VanDerWaalsContact O-N 3.15Å; G48-G85 PolarHBondContact O-N 3.44Å; G48-G85 VanDerWaalsContact O-N 3.07Å
49	E	98.1	Very high	98.4	Very high	64 Å²	64	39.5 Å²	39.5	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	-77.6	157.4	177.4	-87.9	176	-137.4	0	0	113.5	N22 I52 D81	N22-E49 HydrophobicContact CB-CB 4.16Å; N22-E49 HydrophobicContact CB-CG 4.15Å; N22-E49 WeakPolarHBondContact CB-OE1 3.35Å; N22-E49 WeakPolarHBondContact ND2-CG 3.47Å; N22-E49 PolarHBondContact ND2-OE1 3.04Å; E49-I52 HydrophobicContact CB-CD1 4.18Å; E49-I52 HydrophobicContact CB-CG1 3.73Å; E49-D81 HydrophobicContact CG-CB 3.8Å
50	P	96.8	Very high	98.5	Very high	66 Å²	66	43.7 Å²	43.7	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	148.1	175.3	31.4	-33.4	0	0	0	111.1	I52	P50-I52 PolarHBondContact O-N 3.25Å
51	A	96.8	Very high	98.5	Very high	73 Å²	73	40.5 Å²	40.5	60%	0.603	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	43.6	172.7	0	0	0	0	0	114.4	P53 D88	A51-P53 VanDerWaalsContact O-CD 3.29Å; A51-P53 WeakPolarHBondContact O-CD 3.47Å; A51-D88 PolarHBondContact N-OD2 2.9Å
52	I	98.5	Very high	98.5	Very high	37 Å²	37	34.1 Å²	34.1	19%	0.19	20%	0.195	C	C	.	.			trans	-105.7	91.5	170.4	-49.5	-60.3	0	0	0	110.1	G20 C21 E49 P50 E54 Y55 I56	G20-I52 WeakPolarHBondContact O-CG2 3.16Å; C21-I52 HydrophobicContact CB-CG2 4.12Å; E49-I52 HydrophobicContact CB-CD1 4.18Å; E49-I52 HydrophobicContact CB-CG1 3.73Å; P50-I52 PolarHBondContact O-N 3.25Å; I52-E54 HydrophobicContact CG2-CB 4.49Å; I52-E54 PolarHBondContact O-N 2.68Å; I52-Y55 PolarHBondContact O-N 2.86Å; I52-Y55 VanDerWaalsContact O-N 3.17Å; I52-I56 PolarHBondContact O-N 3.42Å
53	P	98.4	Very high	98.5	Very high	105 Å²	105	34 Å²	34	68%	0.682	20%	0.196	S	C	*	.	H	α-helix	trans	-62.6	-29.7	-175.5	-23.2	34.3	0	0	0	113.5	A51 Y55 I56 S57	A51-P53 VanDerWaalsContact O-CD 3.29Å; A51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-Y55 VanDerWaalsContact C-N 3.35Å; P53-I56 PolarHBondContact O-N 2.95Å; P53-S57 PolarHBondContact O-N 3.25Å
54	E	98.6	Very high	98.5	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-40.9	178.5	-167.3	-177.5	136.6	0	0	111.6	R7 C21 I52 S57 N58	R7-E54 IonicContact CZ-OE1 3.27Å; R7-E54 IonicContact NE-OE1 2.68Å; R7-E54 PolarHBondContact NE-OE1 2.85Å; R7-E54 IonicContact NH1-OE1 2.71Å; R7-E54 IonicContact NH2-OE1 2.83Å; R7-E54 PolarHBondContact NH2-OE1 2.86Å; R7-E54 IonicContact NH2-OE2 3.2Å; C21-E54 HydrophobicContact CB-CB 4.14Å; C21-E54 HydrophobicContact CB-CG 4.19Å; C21-E54 PolarHBondContact SG-OE1 3.23Å; I52-E54 HydrophobicContact CG2-CB 4.49Å; I52-E54 PolarHBondContact O-N 2.68Å; E54-S57 PolarHBondContact O-N 3.32Å; E54-N58 VanDerWaalsContact O-CG 3.28Å; E54-N58 PolarHBondContact O-N 3.29Å; E54-N58 PolarHBondContact O-ND2 3.3Å
55	Y	98.8	Very high	98.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-46.3	175.2	167.2	-117.1	0	0	0	111.4	V18 G20 T33 T47 I52 P53 S57 N58 L59 I89	V18-Y55 HydrophobicContact CG1-CD2 4.15Å; V18-Y55 HydrophobicContact CG1-CE2 4.04Å; G20-Y55 WeakPolarHBondContact O-CB 3.27Å; T33-Y55 HydrophobicContact CG2-CE2 3.88Å; T33-Y55 WeakPolarHBondContact OG1-CE2 3.24Å; T47-Y55 WeakPolarHBondContact O-CE1 3.47Å; I52-Y55 PolarHBondContact O-N 2.86Å; I52-Y55 VanDerWaalsContact O-N 3.17Å; P53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-S57 VanDerWaalsContact C-N 3.27Å; Y55-S57 PolarHBondContact O-N 3.27Å; Y55-N58 PolarHBondContact O-N 3.28Å; Y55-N58 VanDerWaalsContact O-N 3.12Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 HydrophobicContact CE2-CB 4.33Å; Y55-L59 WeakPolarHBondContact O-CB 3.47Å; Y55-L59 PolarHBondContact O-N 3.31Å; Y55-I89 HydrophobicContact CE1-CD1 3.99Å; Y55-I89 HydrophobicContact CE1-CG1 4.21Å
56	I	98.8	Very high	98.4	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.062	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-39.9	176.6	-61.4	-59.1	0	0	0	111.3	I52 P53 K60 D88 I89 D92 I93	I52-I56 PolarHBondContact O-N 3.42Å; P53-I56 PolarHBondContact O-N 2.95Å; I56-K60 HydrophobicContact CG2-CD 4.33Å; I56-K60 WeakPolarHBondContact O-CB 3.5Å; I56-K60 WeakPolarHBondContact O-CG 3.36Å; I56-K60 PolarHBondContact O-N 3.31Å; I56-D88 HydrophobicContact CD1-CB 3.76Å; I56-D88 HydrophobicContact CG1-CB 4.09Å; I56-I89 HydrophobicContact CD1-CG1 3.9Å; I56-D92 HydrophobicContact CG2-CB 3.87Å; I56-I93 HydrophobicContact CG2-CD1 4.41Å; I56-I93 HydrophobicContact CG2-CG1 4.48Å
57	S	98.6	Very high	98.4	Very high	61 Å²	61	49.1 Å²	49.1	43%	0.427	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-45.9	174.3	-175.1	0	0	0	0	112	P53 E54 Y55 K60 N61	P53-S57 PolarHBondContact O-N 3.25Å; E54-S57 PolarHBondContact O-N 3.32Å; Y55-S57 VanDerWaalsContact C-N 3.27Å; Y55-S57 PolarHBondContact O-N 3.27Å; S57-K60 PolarHBondContact O-N 3.3Å; S57-N61 WeakPolarHBondContact O-CB 3.2Å; S57-N61 PolarHBondContact O-N 3.1Å; S57-N61 PolarHBondContact O-ND2 2.81Å
58	N	98.7	Very high	98.4	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-40	178.6	-68.5	-29.7	0	0	0	112.2	I8 V18 C21 E54 Y55 N61 A62	I8-N58 HydrophobicContact CD1-CB 4.25Å; I8-N58 VanDerWaalsContact CD1-O 3.27Å; I8-N58 WeakPolarHBondContact CD1-O 3.27Å; I8-N58 HydrophobicContact CG1-CB 4.21Å; V18-N58 HydrophobicContact CG1-CB 3.83Å; C21-N58 PolarHBondContact SG-ND2 3.45Å; E54-N58 VanDerWaalsContact O-CG 3.28Å; E54-N58 PolarHBondContact O-N 3.29Å; E54-N58 PolarHBondContact O-ND2 3.3Å; Y55-N58 PolarHBondContact O-N 3.28Å; Y55-N58 VanDerWaalsContact O-N 3.12Å; N58-N61 PolarHBondContact O-N 2.78Å; N58-A62 WeakPolarHBondContact O-CB 3.38Å; N58-A62 PolarHBondContact O-N 2.86Å
59	L	98.9	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-44.4	176.5	-177.6	58	0	0	0	111	V18 L35 L44 Y55 N61 A62 L63 I70 I89 I93	V18-L59 HydrophobicContact CG1-CB 4.45Å; V18-L59 HydrophobicContact CG2-CD1 4.37Å; L35-L59 HydrophobicContact CD1-CD1 4.22Å; L35-L59 HydrophobicContact CD2-CD1 4.41Å; L35-L59 HydrophobicContact CG-CD1 4.43Å; L44-L59 HydrophobicContact CD1-CD1 4.28Å; L44-L59 HydrophobicContact CD2-CD2 4.12Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 HydrophobicContact CE2-CB 4.33Å; Y55-L59 WeakPolarHBondContact O-CB 3.47Å; Y55-L59 PolarHBondContact O-N 3.31Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 2.64Å; L59-A62 PolarHBondContact O-N 2.9Å; L59-L63 HydrophobicContact CD1-CD1 4.5Å; L59-L63 HydrophobicContact CD1-CG 4.35Å; L59-L63 HydrophobicContact CG-CD1 4.28Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.82Å; L59-I70 HydrophobicContact CD2-CD1 4.32Å; L59-I89 HydrophobicContact CD2-CD1 4.13Å; L59-I89 HydrophobicContact CD2-CG1 3.95Å; L59-I93 HydrophobicContact CB-CD1 4.15Å; L59-I93 HydrophobicContact CD2-CD1 3.5Å; L59-I93 HydrophobicContact CG-CD1 3.75Å
60	K	98.8	Very high	98.4	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-43.5	172.6	-75.9	177.9	178.2	-175.7	0	112.1	I56 S57 L63 G64 D92 I93	I56-K60 HydrophobicContact CG2-CD 4.33Å; I56-K60 WeakPolarHBondContact O-CB 3.5Å; I56-K60 WeakPolarHBondContact O-CG 3.36Å; I56-K60 PolarHBondContact O-N 3.31Å; S57-K60 PolarHBondContact O-N 3.3Å; K60-L63 PolarHBondContact O-N 3.43Å; K60-G64 PolarHBondContact O-N 2.87Å; K60-D92 WeakPolarHBondContact CE-O 3.42Å; K60-D92 PolarHBondContact NZ-O 3.23Å; K60-I93 HydrophobicContact CG-CD1 4.06Å; K60-I93 HydrophobicContact CG-CG1 3.98Å
61	N	98.7	Very high	98.5	Very high	88 Å²	88	48.7 Å²	48.7	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-43.7	177.4	-70	-21.7	0	0	0	111.5	I8 S57 N58 L59 G64 Q65	I8-N61 HydrophobicContact CD1-CB 3.88Å; S57-N61 WeakPolarHBondContact O-CB 3.2Å; S57-N61 PolarHBondContact O-N 3.1Å; S57-N61 PolarHBondContact O-ND2 2.81Å; N58-N61 PolarHBondContact O-N 2.78Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 2.64Å; N61-G64 PolarHBondContact O-N 3.43Å; N61-Q65 VanDerWaalsContact O-CB 3.25Å; N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.48Å
62	A	98.8	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-48.5	176.6	0	0	0	0	0	111.3	I8 V18 L35 N58 L59 G64 Q65 F66	I8-A62 HydrophobicContact CD1-CB 4.22Å; I8-A62 HydrophobicContact CG1-CB 4.46Å; I8-A62 HydrophobicContact CG2-CB 3.92Å; V18-A62 HydrophobicContact CG2-CB 3.58Å; L35-A62 HydrophobicContact CD1-CB 4.16Å; N58-A62 WeakPolarHBondContact O-CB 3.38Å; N58-A62 PolarHBondContact O-N 2.86Å; L59-A62 PolarHBondContact O-N 2.9Å; A62-G64 VanDerWaalsContact C-N 3.28Å; A62-G64 PolarHBondContact O-N 3.13Å; A62-Q65 PolarHBondContact O-N 2.85Å; A62-F66 HydrophobicContact CB-CD2 4.44Å; A62-F66 WeakPolarHBondContact O-CD2 3.36Å; A62-F66 PolarHBondContact O-N 2.89Å
63	L	98.8	Very high	98.6	Very high	16 Å²	16	44 Å²	44	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-42.6	177.2	-68.5	174.3	0	0	0	111.8	L35 L59 K60 S67 T68 I70 I93	L35-L63 HydrophobicContact CD1-CD2 3.89Å; L35-L63 HydrophobicContact CD2-CD2 3.9Å; L59-L63 HydrophobicContact CD1-CD1 4.5Å; L59-L63 HydrophobicContact CD1-CG 4.35Å; L59-L63 HydrophobicContact CG-CD1 4.28Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.82Å; K60-L63 PolarHBondContact O-N 3.43Å; L63-S67 WeakPolarHBondContact O-CA 3.49Å; L63-S67 PolarHBondContact O-N 2.76Å; L63-T68 WeakPolarHBondContact CB-O 3.37Å; L63-T68 HydrophobicContact CD2-CG2 3.86Å; L63-T68 PolarHBondContact O-N 2.76Å; L63-I70 HydrophobicContact CD1-CD1 4.27Å; L63-I70 HydrophobicContact CD1-CG1 4.29Å; L63-I70 HydrophobicContact CD2-CG1 4.14Å; L63-I93 HydrophobicContact CD1-CG2 3.57Å
64	G	98.5	Very high	98.6	Very high	53 Å²	53	39 Å²	39	55%	0.546	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-48.3	174.9	0	0	0	0	0	113.6	K60 N61 A62 F66 S67	K60-G64 PolarHBondContact O-N 2.87Å; N61-G64 PolarHBondContact O-N 3.43Å; A62-G64 VanDerWaalsContact C-N 3.28Å; A62-G64 PolarHBondContact O-N 3.13Å; G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 3.23Å; G64-S67 PolarHBondContact O-N 2.8Å; G64-S67 VanDerWaalsContact O-N 3.15Å
65	Q	98.3	Very high	98.6	Very high	133 Å²	133	35.3 Å²	35.3	62%	0.621	21%	0.206	S	C	*	.	H	α-helix	trans	-59	-40	-179.9	178.5	177.8	-13.8	0	0	111.9	N61 A62	N61-Q65 VanDerWaalsContact O-CB 3.25Å; N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.48Å; A62-Q65 PolarHBondContact O-N 2.85Å
66	F	98	Very high	98.6	Very high	35 Å²	35	35.3 Å²	35.3	15%	0.154	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8	-179.4	-61.9	-72.2	0	0	0	113.3	I8 Q10 V16 A62 G64 T68	I8-F66 HydrophobicContact CG2-CE2 4.14Å; Q10-F66 HydrophobicContact CB-CE1 4.16Å; Q10-F66 HydrophobicContact CB-CZ 4Å; Q10-F66 HydrophobicContact CG-CE1 4.44Å; V16-F66 HydrophobicContact CB-CD2 4.48Å; V16-F66 HydrophobicContact CB-CE2 4.28Å; V16-F66 HydrophobicContact CG1-CD2 3.92Å; V16-F66 HydrophobicContact CG1-CE2 3.46Å; V16-F66 VanDerWaalsContact CG1-CE2 3.46Å; V16-F66 HydrophobicContact CG1-CZ 4.07Å; V16-F66 HydrophobicContact CG2-CD1 4.18Å; V16-F66 HydrophobicContact CG2-CD2 3.94Å; V16-F66 HydrophobicContact CG2-CE1 4.02Å; V16-F66 HydrophobicContact CG2-CE2 3.81Å; V16-F66 HydrophobicContact CG2-CG 4.15Å; V16-F66 HydrophobicContact CG2-CZ 3.85Å; A62-F66 HydrophobicContact CB-CD2 4.44Å; A62-F66 WeakPolarHBondContact O-CD2 3.36Å; A62-F66 PolarHBondContact O-N 2.89Å; G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 3.23Å; F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 HydrophobicContact CB-CG2 4.15Å; F66-T68 PolarHBondContact O-N 3.06Å
67	S	98.1	Very high	98.6	Very high	99 Å²	99	34.7 Å²	34.7	69%	0.692	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	46.7	177.8	-61.3	0	0	0	0	113.3	L63 G64	L63-S67 WeakPolarHBondContact O-CA 3.49Å; L63-S67 PolarHBondContact O-N 2.76Å; G64-S67 PolarHBondContact O-N 2.8Å; G64-S67 VanDerWaalsContact O-N 3.15Å
68	T	98.5	Very high	98.5	Very high	14 Å²	14	34.9 Å²	34.9	9%	0.086	19%	0.194	C	C	.	.			trans	-131.8	163	-176	-172.4	0	0	0	0	111.6	G39 Q40 R42 L63 F66	G39-T68 PolarHBondContact O-OG1 2.81Å; Q40-T68 CarbonylContact O-C 3.6Å; Q40-T68 WeakPolarHBondContact O-CA 3.33Å; Q40-T68 PolarHBondContact O-OG1 3.15Å; R42-T68 WeakPolarHBondContact CG-OG1 3.38Å; L63-T68 WeakPolarHBondContact CB-O 3.37Å; L63-T68 HydrophobicContact CD2-CG2 3.86Å; L63-T68 PolarHBondContact O-N 2.76Å; F66-T68 VanDerWaalsContact C-N 3.27Å; F66-T68 HydrophobicContact CB-CG2 4.15Å; F66-T68 PolarHBondContact O-N 3.06Å
69	S	98.5	Very high	98.5	Very high	54 Å²	54	36.3 Å²	36.3	38%	0.378	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	172	171.1	61.1	0	0	0	0	110.6	Q40 R41 R42	Q40-S69 PolarHBondContact O-N 3.11Å; Q40-S69 PolarHBondContact O-OG 3.15Å; R41-S69 CarbonylContact C-O 3.59Å; R41-S69 WeakPolarHBondContact CA-O 3.4Å; R42-S69 PolarHBondContact N-O 2.96Å
70	I	98.7	Very high	98.4	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125	178	-62.5	167.5	0	0	0	109.3	L35 R42 L44 L59 L63 I73 I89 I93 T94 V98	L35-I70 HydrophobicContact CD2-CG1 4.45Å; R42-I70 CarbonylContact O-C 3.57Å; R42-I70 WeakPolarHBondContact O-CA 3.29Å; L44-I70 HydrophobicContact CB-CG1 4.47Å; L44-I70 HydrophobicContact CB-CG2 4.16Å; L44-I70 HydrophobicContact CD2-CD1 3.95Å; L59-I70 HydrophobicContact CD2-CD1 4.32Å; L63-I70 HydrophobicContact CD1-CD1 4.27Å; L63-I70 HydrophobicContact CD1-CG1 4.29Å; L63-I70 HydrophobicContact CD2-CG1 4.14Å; I70-I73 HydrophobicContact CG2-CG1 4.01Å; I70-I89 HydrophobicContact CD1-CG2 3.83Å; I70-I93 HydrophobicContact CD1-CG2 4.18Å; I70-T94 HydrophobicContact CB-CG2 3.8Å; I70-T94 HydrophobicContact CD1-CG2 3.69Å; I70-T94 HydrophobicContact CG1-CG2 4.23Å; I70-T94 HydrophobicContact CG2-CG2 4.3Å; I70-V98 HydrophobicContact CG2-CG2 3.93Å
71	Q	98.6	Very high	98.4	Very high	43 Å²	43	39 Å²	39	20%	0.201	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-55	172.6	-178.6	178.1	-66.4	0	0	110.4	R41 R42 Q128 T129	R41-Q71 HydrophobicContact CB-CB 4.01Å; R41-Q71 PolarHBondContact NH2-O 3.31Å; R41-Q71 VanDerWaalsContact NH2-O 3.15Å; R42-Q71 WeakPolarHBondContact O-CB 3.48Å; R42-Q71 PolarHBondContact O-N 2.8Å; Q71-Q128 PolarHBondContact NE2-O 2.97Å; Q71-T129 VanDerWaalsContact OE1-CB 3.3Å; Q71-T129 PolarHBondContact OE1-OG1 2.85Å
72	E	98.5	Very high	98.4	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	164.1	179.2	62.4	-177.6	119.5	0	0	109.5	V43 L44 I74 R99	V43-E72 HydrophobicContact CG1-CG 4.5Å; V43-E72 HydrophobicContact CG2-CG 4.07Å; L44-E72 PolarHBondContact N-O 2.83Å; E72-I74 HydrophobicContact CG-CD1 4.24Å; E72-R99 HydrophobicContact CB-CB 4.26Å; E72-R99 VanDerWaalsContact CD-NH2 3.29Å; E72-R99 IonicContact OE1-NH2 2.85Å; E72-R99 PolarHBondContact OE1-NH2 2.96Å; E72-R99 IonicContact OE2-CZ 2.81Å; E72-R99 IonicContact OE2-NE 2.67Å; E72-R99 PolarHBondContact OE2-NE 3.49Å; E72-R99 IonicContact OE2-NH2 3.59Å; E72-R99 PolarHBondContact OE2-NH2 3.27Å
73	I	98.8	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.8	177.8	-58	173.4	0	0	0	108.2	L44 T47 I70 V75 I89 V98 R99 V100 S101	L44-I73 HydrophobicContact CB-CG1 4.38Å; L44-I73 HydrophobicContact CD2-CG1 4.3Å; L44-I73 CarbonylContact O-C 3.11Å; L44-I73 WeakPolarHBondContact O-CA 3.3Å; T47-I73 HydrophobicContact CG2-CG2 3.54Å; I70-I73 HydrophobicContact CG2-CG1 4.01Å; I73-V75 HydrophobicContact CG2-CG2 4.11Å; I73-I89 HydrophobicContact CD1-CB 4.48Å; I73-I89 HydrophobicContact CD1-CG2 3.88Å; I73-V98 HydrophobicContact CD1-CG1 4.11Å; I73-V98 HydrophobicContact CD1-CG2 4.46Å; I73-V98 HydrophobicContact CG1-CG2 4.16Å; I73-R99 PolarHBondContact N-O 2.83Å; I73-V100 HydrophobicContact CB-CG1 4.22Å; I73-V100 HydrophobicContact CB-CG2 4.28Å; I73-V100 HydrophobicContact CD1-CG2 4.29Å; I73-V100 HydrophobicContact CG2-CG1 4.16Å; I73-V100 CarbonylContact O-C 3.38Å; I73-V100 WeakPolarHBondContact O-CA 3.06Å; I73-S101 PolarHBondContact O-N 2.82Å
74	I	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.3	173.1	-50.7	-61.6	0	0	0	107.6	V43 L44 I45 D46 E72 S101 L121 I127 M147 L149	V43-I74 HydrophobicContact CG1-CB 4.47Å; V43-I74 HydrophobicContact CG1-CG1 3.6Å; L44-I74 PolarHBondContact O-N 2.79Å; I45-I74 CarbonylContact C-O 3.54Å; I45-I74 WeakPolarHBondContact CA-O 3.32Å; D46-I74 PolarHBondContact N-O 3.36Å; E72-I74 HydrophobicContact CG-CD1 4.24Å; I74-S101 WeakPolarHBondContact CA-O 3.32Å; I74-L121 HydrophobicContact CD1-CD1 4.33Å; I74-L121 HydrophobicContact CG2-CD1 4.44Å; I74-I127 HydrophobicContact CD1-CD1 3.67Å; I74-I127 HydrophobicContact CD1-CG1 4.28Å; I74-I127 HydrophobicContact CD1-CG2 4.45Å; I74-I127 HydrophobicContact CG1-CD1 3.99Å; I74-I127 HydrophobicContact CG2-CD1 4.36Å; I74-M147 HydrophobicContact CG2-CE 4.25Å; I74-M147 HydrophobicContact CG2-SD 3.9Å; I74-L149 HydrophobicContact CG2-CD1 3.91Å; I74-L149 HydrophobicContact CG2-CD2 4.4Å
75	V	98.6	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-110.2	129.8	178.9	-178.5	0	0	0	0	109.6	D46 I73 H77 H82 T83 V86 V100 S101 K102	D46-V75 WeakPolarHBondContact OD1-CA 3.39Å; I73-V75 HydrophobicContact CG2-CG2 4.11Å; V75-H77 VanDerWaalsContact CG1-O 3.31Å; V75-H77 WeakPolarHBondContact CG1-O 3.48Å; V75-H82 HydrophobicContact CG1-CB 4.21Å; V75-T83 HydrophobicContact CG1-CG2 3.57Å; V75-V86 HydrophobicContact CG2-CG2 4.23Å; V75-V100 HydrophobicContact CG2-CG1 4.16Å; V75-S101 PolarHBondContact N-O 2.94Å; V75-K102 HydrophobicContact CB-CB 4.32Å; V75-K102 WeakPolarHBondContact O-CB 3.37Å
76	T	98.8	Very high	98.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.145	C	C	.	.	S	Bend	trans	-69.3	-40.4	-174.4	53.7	0	0	0	0	112.7	I45 D46 H82 M147	I45-T76 HydrophobicContact CG2-CG2 4.07Å; D46-T76 PolarHBondContact OD1-N 3.36Å; D46-T76 PolarHBondContact OD1-OG1 2.78Å; D46-T76 VanDerWaalsContact OD2-CG2 3.24Å; D46-T76 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T76 PolarHBondContact OD2-OG1 2.8Å; T76-H82 PolarHBondContact OG1-ND1 2.83Å; T76-M147 WeakPolarHBondContact O-CG 3.44Å; T76-M147 PolarHBondContact O-N 3.2Å
77	H	98.5	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-164.4	174.1	-179.5	64.7	-71.9	0	0	0	112.5	V75 H79 H82 T83 H142 T143 D145 H146	V75-H77 VanDerWaalsContact CG1-O 3.31Å; V75-H77 WeakPolarHBondContact CG1-O 3.48Å; H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CD2-CG 3.46Å; H77-H79 VanDerWaalsContact CD2-CG 3.46Å; H77-H79 AromaticContact CD2-ND1 3.19Å; H77-H79 PolarHBondContact CD2-ND1 2.85Å; H77-H79 WeakPolarHBondContact NE2-CB 3.21Å; H77-H79 AromaticContact NE2-CE1 3.99Å; H77-H79 AromaticContact NE2-CG 3.4Å; H77-H79 AromaticContact NE2-ND1 2.9Å; H77-H79 PolarHBondContact NE2-ND1 2.92Å; H77-H79 PolarHBondContact O-N 2.69Å; H77-H82 AromaticContact CE1-CD2 3.13Å; H77-H82 PolarHBondContact CE1-CD2 3.48Å; H77-H82 AromaticContact CE1-CE1 3.58Å; H77-H82 AromaticContact CE1-CG 3.43Å; H77-H82 VanDerWaalsContact CE1-CG 3.43Å; H77-H82 AromaticContact CE1-ND1 3.69Å; H77-H82 AromaticContact CE1-NE2 3.25Å; H77-H82 PolarHBondContact CE1-NE2 2.87Å; H77-H82 AromaticContact ND1-CD2 3.93Å; H77-H82 AromaticContact ND1-CG 3.78Å; H77-H82 AromaticContact ND1-ND1 3.98Å; H77-H82 AromaticContact NE2-CD2 3.62Å; H77-H82 AromaticContact NE2-NE2 3.92Å; H77-T83 WeakPolarHBondContact O-CG2 3.36Å; H77-H142 AromaticContact CD2-CD2 3.67Å; H77-H142 AromaticContact CD2-NE2 3.73Å; H77-H142 AromaticContact NE2-CD2 3.58Å; H77-H142 AromaticContact NE2-NE2 3.27Å; H77-H142 PolarHBondContact NE2-NE2 3.2Å; H77-T143 VanDerWaalsContact CB-OG1 3.31Å; H77-T143 WeakPolarHBondContact CB-OG1 3.31Å; H77-D145 WeakPolarHBondContact CB-OD1 3.24Å; H77-H146 HydrophobicContact CB-CB 4.38Å; H77-H146 AromaticContact CG-CD2 3.95Å; H77-H146 AromaticContact ND1-CD2 3.89Å
78	W	97.3	Very high	98	Very high	65 Å²	65	25.9 Å²	25.9	25%	0.246	13%	0.131	C	C	.	.	S	Bend	trans	-70.8	-14.1	-170.2	72.7	-93	0	0	0	116.3	T83 T143 D145	W78-T83 PolarHBondContact O-OG1 3.17Å; W78-T143 VanDerWaalsContact NE1-CG2 3.27Å; W78-D145 WeakPolarHBondContact CB-OD2 3.45Å; W78-D145 VanDerWaalsContact CD1-OD1 3.31Å; W78-D145 PolarHBondContact N-OD1 3.04Å; W78-D145 PolarHBondContact N-OD2 2.96Å
79	H	97.8	Very high	97.9	Very high	43 Å²	43	25.2 Å²	25.2	20%	0.199	13%	0.127	C	C	.	.	S	Bend	trans	-58.6	148.6	-175.6	-70	150	0	0	0	112.3	H77 D81 H82 T83 H142 T143	H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CD2-CG 3.46Å; H77-H79 VanDerWaalsContact CD2-CG 3.46Å; H77-H79 AromaticContact CD2-ND1 3.19Å; H77-H79 PolarHBondContact CD2-ND1 2.85Å; H77-H79 WeakPolarHBondContact NE2-CB 3.21Å; H77-H79 AromaticContact NE2-CE1 3.99Å; H77-H79 AromaticContact NE2-CG 3.4Å; H77-H79 AromaticContact NE2-ND1 2.9Å; H77-H79 PolarHBondContact NE2-ND1 2.92Å; H77-H79 PolarHBondContact O-N 2.69Å; H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 WeakPolarHBondContact CB-OD1 3.3Å; H79-D81 PolarHBondContact O-N 3.14Å; H79-H82 PolarHBondContact O-N 3.32Å; H79-H82 VanDerWaalsContact O-N 3.08Å; H79-T83 PolarHBondContact O-N 2.87Å; H79-T83 PolarHBondContact O-OG1 2.85Å; H79-H142 AromaticContact CE1-CD2 3.99Å; H79-H142 AromaticContact CE1-CE1 3.75Å; H79-H142 AromaticContact CE1-NE2 3.11Å; H79-H142 PolarHBondContact CE1-NE2 3.2Å; H79-H142 AromaticContact ND1-CE1 3.95Å; H79-H142 AromaticContact ND1-NE2 3.07Å; H79-H142 PolarHBondContact ND1-NE2 3.17Å; H79-T143 VanDerWaalsContact CE1-CG2 3.47Å; H79-T143 WeakPolarHBondContact CE1-CG2 3.47Å
80	H	96.7	Very high	97.8	Very high	127 Å²	127	23.3 Å²	23.3	59%	0.588	11%	0.114	S	C	*	.	H	α-helix	trans	-66.8	-27.1	-168.3	-77	-64.4	0	0	0	113.8	H82 G84	H80-H82 PolarHBondContact O-N 3Å; H80-G84 WeakPolarHBondContact O-CA 3.26Å; H80-G84 PolarHBondContact O-N 2.92Å
81	D	98.4	Very high	97.6	Very high	24 Å²	24	29.7 Å²	29.7	13%	0.128	14%	0.137	C	C	.	.	H	α-helix	trans	-80.8	-3.5	177	59	-53.1	0	0	0	113.6	T27 T31 G48 E49 H79 H196	T27-D81 HydrophobicContact CG2-CB 3.98Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.44Å; T31-D81 WeakPolarHBondContact CB-O 3.42Å; T31-D81 VanDerWaalsContact CG2-O 3.23Å; T31-D81 WeakPolarHBondContact CG2-O 3.28Å; T31-D81 PolarHBondContact OG1-O 2.8Å; G48-D81 CarbonylContact C-O 3.57Å; G48-D81 WeakPolarHBondContact CA-O 3.28Å; G48-D81 PolarHBondContact N-O 3.12Å; G48-D81 CarbonylContact O-C 3.32Å; E49-D81 HydrophobicContact CG-CB 3.8Å; H79-D81 VanDerWaalsContact C-N 3.27Å; H79-D81 WeakPolarHBondContact CB-OD1 3.3Å; H79-D81 PolarHBondContact O-N 3.14Å; D81-H196 IonicContact OD2-CE1 3.65Å; D81-H196 PolarHBondContact OD2-CE1 2.88Å; D81-H196 VanDerWaalsContact OD2-CE1 3.27Å; D81-H196 IonicContact OD2-NE2 2.66Å; D81-H196 PolarHBondContact OD2-NE2 3.33Å
82	H	98.6	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-111.1	-33.9	170.9	-63.7	-99.1	0	0	0	112	D46 T47 V75 T76 H77 H79 H80 D161 H196	D46-H82 HydrophobicContact CB-CB 4.34Å; D46-H82 VanDerWaalsContact CG-ND1 3.26Å; D46-H82 IonicContact OD1-ND1 2.68Å; D46-H82 IonicContact OD2-CE1 3.22Å; D46-H82 IonicContact OD2-CG 2.73Å; D46-H82 IonicContact OD2-ND1 3.23Å; D46-H82 PolarHBondContact OD2-ND1 3.31Å; T47-H82 PolarHBondContact N-O 3.38Å; T47-H82 PolarHBondContact OG1-O 3.4Å; V75-H82 HydrophobicContact CG1-CB 4.21Å; T76-H82 PolarHBondContact OG1-ND1 2.83Å; H77-H82 AromaticContact CE1-CD2 3.13Å; H77-H82 PolarHBondContact CE1-CD2 3.48Å; H77-H82 AromaticContact CE1-CE1 3.58Å; H77-H82 AromaticContact CE1-CG 3.43Å; H77-H82 VanDerWaalsContact CE1-CG 3.43Å; H77-H82 AromaticContact CE1-ND1 3.69Å; H77-H82 AromaticContact CE1-NE2 3.25Å; H77-H82 PolarHBondContact CE1-NE2 2.87Å; H77-H82 AromaticContact ND1-CD2 3.93Å; H77-H82 AromaticContact ND1-CG 3.78Å; H77-H82 AromaticContact ND1-ND1 3.98Å; H77-H82 AromaticContact NE2-CD2 3.62Å; H77-H82 AromaticContact NE2-NE2 3.92Å; H79-H82 PolarHBondContact O-N 3.32Å; H79-H82 VanDerWaalsContact O-N 3.08Å; H80-H82 PolarHBondContact O-N 3Å; H82-D161 IonicContact CE1-OD1 2.72Å; H82-D161 PolarHBondContact CE1-OD1 3.3Å; H82-D161 IonicContact NE2-OD1 3.2Å; H82-D161 PolarHBondContact NE2-OD1 3.11Å; H82-D161 IonicContact NE2-OD2 2.64Å; H82-H196 AromaticContact CE1-NE2 3.88Å; H82-H196 AromaticContact NE2-CE1 3.92Å; H82-H196 AromaticContact NE2-NE2 3.34Å; H82-H196 PolarHBondContact NE2-NE2 2.91Å
83	T	97.4	Very high	97.5	Very high	17 Å²	17	32.2 Å²	32.2	10%	0.104	15%	0.152	C	C	.	.	H	α-helix	trans	-95.4	-21.3	-179.6	55.6	0	0	0	0	114.8	T47 V75 H77 W78 H79 G85 V86	T47-T83 PolarHBondContact OG1-O 3Å; V75-T83 HydrophobicContact CG1-CG2 3.57Å; H77-T83 WeakPolarHBondContact O-CG2 3.36Å; W78-T83 PolarHBondContact O-OG1 3.17Å; H79-T83 PolarHBondContact O-N 2.87Å; H79-T83 PolarHBondContact O-OG1 2.85Å; T83-G85 PolarHBondContact O-N 3.12Å; T83-V86 WeakPolarHBondContact O-CB 3.47Å; T83-V86 WeakPolarHBondContact O-CG2 3.17Å; T83-V86 PolarHBondContact O-N 2.91Å
84	G	97.3	Very high	97.2	Very high	14 Å²	14	34.2 Å²	34.2	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-38.5	-160.7	0	0	0	0	0	114.4	G48 H80 V86	G48-G84 WeakPolarHBondContact O-CA 3.39Å; G48-G84 PolarHBondContact O-N 3.25Å; G48-G84 VanDerWaalsContact O-N 3.15Å; H80-G84 WeakPolarHBondContact O-CA 3.26Å; H80-G84 PolarHBondContact O-N 2.92Å; G84-V86 PolarHBondContact O-N 2.86Å
85	G	97.7	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.1	-179	0	0	0	0	0	115	T47 G48 T83 E87 D88 I89	T47-G85 WeakPolarHBondContact O-CA 3.26Å; T47-G85 PolarHBondContact OG1-N 2.92Å; G48-G85 PolarHBondContact O-N 3.44Å; G48-G85 VanDerWaalsContact O-N 3.07Å; T83-G85 PolarHBondContact O-N 3.12Å; G85-E87 VanDerWaalsContact C-N 3.31Å; G85-E87 PolarHBondContact O-N 3.46Å; G85-D88 PolarHBondContact O-N 3.31Å; G85-I89 WeakPolarHBondContact O-CD1 3.33Å; G85-I89 VanDerWaalsContact O-CG1 3.23Å; G85-I89 WeakPolarHBondContact O-CG1 3.41Å; G85-I89 PolarHBondContact O-N 2.99Å
86	V	97	Very high	95.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-54.6	-46.1	-179.1	169.6	0	0	0	0	111.9	T47 V75 T83 G84 C90 V100 A113	T47-V86 HydrophobicContact CG2-CG2 3.63Å; T47-V86 PolarHBondContact OG1-N 2.67Å; V75-V86 HydrophobicContact CG2-CG2 4.23Å; T83-V86 WeakPolarHBondContact O-CB 3.47Å; T83-V86 WeakPolarHBondContact O-CG2 3.17Å; T83-V86 PolarHBondContact O-N 2.91Å; G84-V86 PolarHBondContact O-N 2.86Å; V86-C90 WeakPolarHBondContact O-CB 3.24Å; V86-C90 PolarHBondContact O-N 2.93Å; V86-C90 PolarHBondContact O-SG 2.91Å; V86-V100 HydrophobicContact CG1-CG1 4.22Å; V86-V100 HydrophobicContact CG1-CG2 3.95Å; V86-V100 HydrophobicContact CG2-CG1 4.1Å; V86-A113 HydrophobicContact CG1-CB 3.96Å
87	E	95.9	Very high	95	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-66.8	-41.4	-178.9	-173.3	165.9	-178.6	0	0	111.7	G85 C90 R91	G85-E87 VanDerWaalsContact C-N 3.31Å; G85-E87 PolarHBondContact O-N 3.46Å; E87-C90 PolarHBondContact O-N 3.39Å; E87-R91 VanDerWaalsContact O-CB 3.32Å; E87-R91 WeakPolarHBondContact O-CB 3.48Å; E87-R91 PolarHBondContact O-N 2.87Å
88	D	97	Very high	94.8	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.08	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-43.1	178.5	-61.4	-57.8	0	0	0	111.7	A51 I56 G85 R91 D92	A51-D88 PolarHBondContact N-OD2 2.9Å; I56-D88 HydrophobicContact CD1-CB 3.76Å; I56-D88 HydrophobicContact CG1-CB 4.09Å; G85-D88 PolarHBondContact O-N 3.31Å; D88-R91 PolarHBondContact O-N 2.84Å; D88-R91 IonicContact OD1-CZ 3.75Å; D88-R91 IonicContact OD1-NH1 2.76Å; D88-R91 PolarHBondContact OD1-NH1 3.17Å; D88-R91 IonicContact OD1-NH2 3.86Å; D88-R91 PolarHBondContact OD1-NH2 3.28Å; D88-D92 VanDerWaalsContact O-CB 3.31Å; D88-D92 WeakPolarHBondContact O-CB 3.46Å; D88-D92 PolarHBondContact O-N 2.66Å
89	I	97.7	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-45.2	175.6	-65.6	164.2	0	0	0	110.7	L44 T47 Y55 I56 L59 I70 I73 G85 R91 I93 T94	L44-I89 HydrophobicContact CD2-CD1 3.73Å; T47-I89 HydrophobicContact CG2-CD1 3.53Å; Y55-I89 HydrophobicContact CE1-CD1 3.99Å; Y55-I89 HydrophobicContact CE1-CG1 4.21Å; I56-I89 HydrophobicContact CD1-CG1 3.9Å; L59-I89 HydrophobicContact CD2-CD1 4.13Å; L59-I89 HydrophobicContact CD2-CG1 3.95Å; I70-I89 HydrophobicContact CD1-CG2 3.83Å; I73-I89 HydrophobicContact CD1-CB 4.48Å; I73-I89 HydrophobicContact CD1-CG2 3.88Å; G85-I89 WeakPolarHBondContact O-CD1 3.33Å; G85-I89 VanDerWaalsContact O-CG1 3.23Å; G85-I89 WeakPolarHBondContact O-CG1 3.41Å; G85-I89 PolarHBondContact O-N 2.99Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 3.48Å; I89-I93 HydrophobicContact CG2-CB 4.37Å; I89-I93 HydrophobicContact CG2-CD1 4.45Å; I89-I93 WeakPolarHBondContact O-CA 2.95Å; I89-I93 WeakPolarHBondContact O-CB 3.49Å; I89-I93 PolarHBondContact O-N 3.14Å; I89-T94 HydrophobicContact CG2-CG2 4.11Å; I89-T94 PolarHBondContact O-N 2.74Å; I89-T94 VanDerWaalsContact O-N 3.14Å
90	C	95.4	Very high	94.8	Very high	13 Å²	13	48.1 Å²	48.1	9%	0.088	25%	0.251	C	S	.	.	I	π-helix	trans	-60.4	-45.5	177.9	-73.4	0	0	0	0	111.5	V86 E87 T94 G95	V86-C90 WeakPolarHBondContact O-CB 3.24Å; V86-C90 PolarHBondContact O-N 2.93Å; V86-C90 PolarHBondContact O-SG 2.91Å; E87-C90 PolarHBondContact O-N 3.39Å; C90-T94 WeakPolarHBondContact CA-OG1 3.49Å; C90-G95 CarbonylContact O-C 3.59Å; C90-G95 WeakPolarHBondContact O-CA 3.43Å; C90-G95 PolarHBondContact O-N 3.16Å
91	R	95.8	Very high	94.8	Very high	146 Å²	146	42.1 Å²	42.1	55%	0.551	22%	0.223	S	C	*	.	I	π-helix	trans	-66.9	-44.9	-179.1	-176.7	-173.1	63.1	-121.6	-3.9	112.1	E87 D88 I89	E87-R91 VanDerWaalsContact O-CB 3.32Å; E87-R91 WeakPolarHBondContact O-CB 3.48Å; E87-R91 PolarHBondContact O-N 2.87Å; D88-R91 PolarHBondContact O-N 2.84Å; D88-R91 IonicContact OD1-CZ 3.75Å; D88-R91 IonicContact OD1-NH1 2.76Å; D88-R91 PolarHBondContact OD1-NH1 3.17Å; D88-R91 IonicContact OD1-NH2 3.86Å; D88-R91 PolarHBondContact OD1-NH2 3.28Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 3.48Å
92	D	96.9	Very high	94.8	Very high	60 Å²	60	41 Å²	41	32%	0.321	22%	0.217	S	C	.	.	I	π-helix	trans	-103.3	-13	-163.9	-61.2	-29.4	0	0	0	114.3	I56 K60 D88	I56-D92 HydrophobicContact CG2-CB 3.87Å; K60-D92 WeakPolarHBondContact CE-O 3.42Å; K60-D92 PolarHBondContact NZ-O 3.23Å; D88-D92 VanDerWaalsContact O-CB 3.31Å; D88-D92 WeakPolarHBondContact O-CB 3.46Å; D88-D92 PolarHBondContact O-N 2.66Å
93	I	96.8	Very high	94.7	Very high	47 Å²	47	41.2 Å²	41.2	24%	0.241	22%	0.219	C	C	.	.	I	π-helix	trans	-129.1	-58.3	-172.9	-55.5	179.8	0	0	0	112.8	I56 L59 K60 L63 I70 I89	I56-I93 HydrophobicContact CG2-CD1 4.41Å; I56-I93 HydrophobicContact CG2-CG1 4.48Å; L59-I93 HydrophobicContact CB-CD1 4.15Å; L59-I93 HydrophobicContact CD2-CD1 3.5Å; L59-I93 HydrophobicContact CG-CD1 3.75Å; K60-I93 HydrophobicContact CG-CD1 4.06Å; K60-I93 HydrophobicContact CG-CG1 3.98Å; L63-I93 HydrophobicContact CD1-CG2 3.57Å; I70-I93 HydrophobicContact CD1-CG2 4.18Å; I89-I93 HydrophobicContact CG2-CB 4.37Å; I89-I93 HydrophobicContact CG2-CD1 4.45Å; I89-I93 WeakPolarHBondContact O-CA 2.95Å; I89-I93 WeakPolarHBondContact O-CB 3.49Å; I89-I93 PolarHBondContact O-N 3.14Å
94	T	93	Very high	94.6	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.258	23%	0.233	S	C	.	.	I	π-helix	trans	-102.1	-21.4	-165.1	60.4	0	0	0	0	114.9	I70 I89 C90 V98	I70-T94 HydrophobicContact CB-CG2 3.8Å; I70-T94 HydrophobicContact CD1-CG2 3.69Å; I70-T94 HydrophobicContact CG1-CG2 4.23Å; I70-T94 HydrophobicContact CG2-CG2 4.3Å; I89-T94 HydrophobicContact CG2-CG2 4.11Å; I89-T94 PolarHBondContact O-N 2.74Å; I89-T94 VanDerWaalsContact O-N 3.14Å; C90-T94 WeakPolarHBondContact CA-OG1 3.49Å; T94-V98 HydrophobicContact CG2-CB 4.36Å; T94-V98 HydrophobicContact CG2-CG1 4.42Å; T94-V98 HydrophobicContact CG2-CG2 4.46Å; T94-V98 VanDerWaalsContact OG1-CG1 3.23Å; T94-V98 WeakPolarHBondContact OG1-CG1 3.41Å
95	G	85.5	Confident	94.5	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	24%	0.237	S	C	.	.			trans	74.9	-166.2	-166.7	0	0	0	0	0	113.4	C90 D97	C90-G95 CarbonylContact O-C 3.59Å; C90-G95 WeakPolarHBondContact O-CA 3.43Å; C90-G95 PolarHBondContact O-N 3.16Å; G95-D97 VanDerWaalsContact C-N 3.32Å; G95-D97 PolarHBondContact O-N 3.41Å
96	S	78.8	Confident	94.1	Very high	82 Å²	82	49.4 Å²	49.4	57%	0.573	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-6	-172.8	53.2	0	0	0	0	115.5	K116	S96-K116 WeakPolarHBondContact O-CE 3.46Å; S96-K116 PolarHBondContact O-NZ 3.43Å
97	D	86.4	Confident	93.3	Very high	149 Å²	149	52.4 Å²	52.4	80%	0.797	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-8.9	-165	-59.7	-11.9	0	0	0	113.5	G95 R99	G95-D97 VanDerWaalsContact C-N 3.32Å; G95-D97 PolarHBondContact O-N 3.41Å; D97-R99 PolarHBondContact O-N 2.87Å
98	V	93.9	Very high	92	Very high	15 Å²	15	59.9 Å²	59.9	9%	0.091	31%	0.311	C	S	.	.			trans	-67.6	130.5	177.5	74.4	0	0	0	0	110.8	I70 I73 T94 V100	I70-V98 HydrophobicContact CG2-CG2 3.93Å; I73-V98 HydrophobicContact CD1-CG1 4.11Å; I73-V98 HydrophobicContact CD1-CG2 4.46Å; I73-V98 HydrophobicContact CG1-CG2 4.16Å; T94-V98 HydrophobicContact CG2-CB 4.36Å; T94-V98 HydrophobicContact CG2-CG1 4.42Å; T94-V98 HydrophobicContact CG2-CG2 4.46Å; T94-V98 VanDerWaalsContact OG1-CG1 3.23Å; T94-V98 WeakPolarHBondContact OG1-CG1 3.41Å; V98-V100 HydrophobicContact CG1-CG2 4.47Å
99	R	96.6	Very high	91.2	Very high	115 Å²	115	63.3 Å²	63.3	43%	0.434	33%	0.333	S	S	.	.			trans	-72.1	133.8	171.2	-176.5	173	75.5	163.8	-2.4	109.3	E72 I73 D97 S101	E72-R99 HydrophobicContact CB-CB 4.26Å; E72-R99 VanDerWaalsContact CD-NH2 3.29Å; E72-R99 IonicContact OE1-NH2 2.85Å; E72-R99 PolarHBondContact OE1-NH2 2.96Å; E72-R99 IonicContact OE2-CZ 2.81Å; E72-R99 IonicContact OE2-NE 2.67Å; E72-R99 PolarHBondContact OE2-NE 3.49Å; E72-R99 IonicContact OE2-NH2 3.59Å; E72-R99 PolarHBondContact OE2-NH2 3.27Å; I73-R99 PolarHBondContact N-O 2.83Å; D97-R99 PolarHBondContact O-N 2.87Å; R99-S101 PolarHBondContact NE-OG 3.45Å
100	V	97.5	Very high	90.4	Very high	7 Å²	7	69.4 Å²	69.4	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.9	172.5	-170.2	0	0	0	0	107.9	I73 V75 V86 V98 A113 Y118 S119	I73-V100 HydrophobicContact CB-CG1 4.22Å; I73-V100 HydrophobicContact CB-CG2 4.28Å; I73-V100 HydrophobicContact CD1-CG2 4.29Å; I73-V100 HydrophobicContact CG2-CG1 4.16Å; I73-V100 CarbonylContact O-C 3.38Å; I73-V100 WeakPolarHBondContact O-CA 3.06Å; V75-V100 HydrophobicContact CG2-CG1 4.16Å; V86-V100 HydrophobicContact CG1-CG1 4.22Å; V86-V100 HydrophobicContact CG1-CG2 3.95Å; V86-V100 HydrophobicContact CG2-CG1 4.1Å; V98-V100 HydrophobicContact CG1-CG2 4.47Å; V100-A113 HydrophobicContact CB-CB 3.98Å; V100-A113 HydrophobicContact CG1-CB 4.01Å; V100-A113 HydrophobicContact CG2-CB 4.3Å; V100-Y118 HydrophobicContact CB-CD1 4.39Å; V100-Y118 HydrophobicContact CG1-CD1 3.84Å; V100-Y118 HydrophobicContact CG1-CE1 3.66Å; V100-S119 PolarHBondContact O-N 2.98Å
101	S	97.9	Very high	90	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147	-173.3	-46.8	0	0	0	0	112	I73 I74 V75 R99 S119	I73-S101 PolarHBondContact O-N 2.82Å; I74-S101 WeakPolarHBondContact CA-O 3.32Å; V75-S101 PolarHBondContact N-O 2.94Å; R99-S101 PolarHBondContact NE-OG 3.45Å; S101-S119 WeakPolarHBondContact CA-O 3.26Å; S101-S119 VanDerWaalsContact CB-O 3.27Å; S101-S119 WeakPolarHBondContact CB-O 3.43Å
102	K	97.1	Very high	89.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	175.6	173.6	64.5	174.4	-60.2	-147.4	0	110.2	V75 E111 Y118 S119 Y120 L121 D145	V75-K102 HydrophobicContact CB-CB 4.32Å; V75-K102 WeakPolarHBondContact O-CB 3.37Å; K102-E111 IonicContact NZ-OE1 3.06Å; K102-E111 PolarHBondContact NZ-OE1 2.9Å; K102-E111 IonicContact NZ-OE2 3.88Å; K102-E111 PolarHBondContact NZ-OE2 3.1Å; K102-Y118 HydrophobicContact CB-CD1 4.39Å; K102-Y118 HydrophobicContact CD-CD1 3.64Å; K102-Y118 HydrophobicContact CD-CD2 3.77Å; K102-Y118 HydrophobicContact CD-CE1 3.72Å; K102-Y118 HydrophobicContact CD-CE2 3.86Å; K102-Y118 HydrophobicContact CD-CG 3.67Å; K102-Y118 HydrophobicContact CG-CD1 3.61Å; K102-Y118 HydrophobicContact CG-CD2 4.33Å; K102-Y118 HydrophobicContact CG-CE1 4.12Å; K102-Y118 HydrophobicContact CG-CG 3.74Å; K102-S119 PolarHBondContact N-O 2.76Å; K102-Y120 HydrophobicContact CD-CE1 4.35Å; K102-Y120 HydrophobicContact CG-CD1 4.15Å; K102-Y120 HydrophobicContact CG-CE1 3.97Å; K102-Y120 CarbonylContact O-C 3.44Å; K102-Y120 VanDerWaalsContact O-CA 3.3Å; K102-Y120 WeakPolarHBondContact O-CA 3.25Å; K102-L121 PolarHBondContact O-N 2.84Å; K102-D145 WeakPolarHBondContact CE-OD2 3.46Å; K102-D145 IonicContact NZ-OD2 3.72Å; K102-D145 PolarHBondContact NZ-OD2 3.45Å
103	L	97.3	Very high	88.8	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-80.4	150.6	165.6	-66.5	179.9	0	0	0	111	L121 V136 F138 D145 M147	L103-L121 VanDerWaalsContact CD2-C 3.46Å; L103-L121 HydrophobicContact CD2-CB 4Å; L103-L121 VanDerWaalsContact CD2-O 3.27Å; L103-L121 WeakPolarHBondContact CD2-O 3.37Å; L103-V136 HydrophobicContact CD2-CG1 4.21Å; L103-F138 HydrophobicContact CD1-CB 3.82Å; L103-F138 HydrophobicContact CD1-CD2 3.32Å; L103-F138 HydrophobicContact CD1-CE2 4.18Å; L103-F138 HydrophobicContact CD1-CG 3.9Å; L103-D145 WeakPolarHBondContact CB-O 3.4Å; L103-M147 HydrophobicContact CD1-CB 3.57Å; L103-M147 HydrophobicContact CG-CB 3.92Å; L103-M147 HydrophobicContact CG-CE 4.3Å; L103-M147 HydrophobicContact CG-SD 4.38Å
104	P	95.3	Very high	88	Confident	63 Å²	63	63.9 Å²	63.9	41%	0.409	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-74.7	142.3	177.8	30.5	-33.5	0	0	0	111.3	Y120	P104-Y120 VanDerWaalsContact CA-CD1 3.5Å; P104-Y120 HydrophobicContact CB-CD1 3.69Å; P104-Y120 HydrophobicContact CB-CD2 4.35Å; P104-Y120 HydrophobicContact CB-CE1 3.9Å; P104-Y120 HydrophobicContact CB-CG 3.94Å; P104-Y120 HydrophobicContact CG-CD1 4.39Å; P104-Y120 HydrophobicContact CG-CG 4.48Å
105	R	94.2	Very high	87.4	Confident	57 Å²	57	66.2 Å²	66.2	22%	0.215	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.3	168.6	-68.6	-168.5	71.8	-179.1	3.3	111.9	T107 E111 D144 D145	R105-T107 VanDerWaalsContact C-N 3.26Å; R105-E111 WeakPolarHBondContact CD-OE1 3.23Å; R105-E111 WeakPolarHBondContact CG-OE2 3.37Å; R105-D144 WeakPolarHBondContact CG-OD1 3.42Å; R105-D144 IonicContact CZ-OD1 2.6Å; R105-D144 IonicContact NE-OD1 2.98Å; R105-D144 PolarHBondContact NE-OD1 3.12Å; R105-D144 IonicContact NE-OD2 2.99Å; R105-D144 IonicContact NH2-OD1 2.84Å; R105-D145 HydrophobicContact CG-CB 3.78Å
106	A	89.1	Confident	87.4	Confident	82 Å²	82	66.8 Å²	66.8	68%	0.678	37%	0.366	S	S	*	.	S	Bend	trans	-68.7	-33	173.4	0	0	0	0	0	110.7	D144	A106-D144 HydrophobicContact CB-CB 4.02Å; A106-D144 WeakPolarHBondContact CB-OD2 3.45Å; A106-D144 PolarHBondContact N-OD2 3.47Å
107	T	80.9	Confident	87.9	Confident	65 Å²	65	67.3 Å²	67.3	40%	0.399	37%	0.369	S	S	.	.	S	Bend	trans	-70.2	130.7	169.3	59.3	0	0	0	0	110.8	R105 V109 D144	R105-T107 VanDerWaalsContact C-N 3.26Å; T107-V109 PolarHBondContact O-N 2.88Å; T107-D144 PolarHBondContact N-OD2 3.29Å
108	R	69.4	Low	88.3	Confident	260 Å²	260	61.3 Å²	61.3	98%	0.981	34%	0.336	S	S	*	.			trans	-76.7	55	178.1	-66.4	-175	179.2	179.5	-0.3	111.9
109	V	79.3	Confident	88.4	Confident	87 Å²	87	62.7 Å²	62.7	53%	0.527	35%	0.346	S	S	.	.			trans	-91.8	134	172.1	-175.4	0	0	0	0	107.8	T107 E111	T107-V109 PolarHBondContact O-N 2.88Å; V109-E111 PolarHBondContact O-N 2.97Å
110	T	80.4	Confident	88.5	Confident	127 Å²	127	62 Å²	62	78%	0.779	34%	0.344	S	S	*	.			trans	-70.6	112.5	170.9	-56.8	0	0	0	0	108.4
111	E	88.3	Confident	88.5	Confident	26 Å²	26	62.3 Å²	62.3	12%	0.121	35%	0.345	C	S	.	.			trans	-97.3	141.9	176.3	-56.7	-173	96.9	0	0	110.9	K102 R105 V109 Y118	K102-E111 IonicContact NZ-OE1 3.06Å; K102-E111 PolarHBondContact NZ-OE1 2.9Å; K102-E111 IonicContact NZ-OE2 3.88Å; K102-E111 PolarHBondContact NZ-OE2 3.1Å; R105-E111 WeakPolarHBondContact CD-OE1 3.23Å; R105-E111 WeakPolarHBondContact CG-OE2 3.37Å; V109-E111 PolarHBondContact O-N 2.97Å; E111-Y118 HydrophobicContact CB-CD2 3.86Å; E111-Y118 HydrophobicContact CB-CE2 3.85Å
112	M	85.4	Confident	88.5	Confident	94 Å²	94	69.6 Å²	69.6	46%	0.463	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	179.3	-65.7	-69	-65.9	0	0	110.4	G114 K116 Y118	M112-G114 WeakPolarHBondContact CB-O 3.23Å; M112-G114 PolarHBondContact O-N 2.76Å; M112-K116 CarbonylContact C-O 3.59Å; M112-K116 WeakPolarHBondContact CA-O 3.36Å; M112-K116 WeakPolarHBondContact CE-O 3.5Å; M112-Y118 WeakPolarHBondContact O-CE2 3.42Å; M112-Y118 PolarHBondContact O-OH 2.89Å
113	A	81.8	Confident	88.6	Confident	2 Å²	2	74.5 Å²	74.5	2%	0.017	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	75.7	169.2	0	0	0	0	0	108.4	V86 V100 S115 K116 Y118	V86-A113 HydrophobicContact CG1-CB 3.96Å; V100-A113 HydrophobicContact CB-CB 3.98Å; V100-A113 HydrophobicContact CG1-CB 4.01Å; V100-A113 HydrophobicContact CG2-CB 4.3Å; A113-S115 PolarHBondContact O-N 3.03Å; A113-K116 PolarHBondContact N-O 2.83Å; A113-K116 PolarHBondContact O-N 3.25Å; A113-K116 VanDerWaalsContact O-N 3.16Å; A113-Y118 HydrophobicContact CB-CD1 3.83Å; A113-Y118 HydrophobicContact CB-CD2 4.29Å; A113-Y118 HydrophobicContact CB-CE1 3.62Å; A113-Y118 HydrophobicContact CB-CE2 4.09Å; A113-Y118 HydrophobicContact CB-CG 4.16Å
114	G	79.8	Confident	88.7	Confident	28 Å²	28	75.8 Å²	75.8	29%	0.289	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-115.5	-167.2	0	0	0	0	0	111	M112	M112-G114 WeakPolarHBondContact CB-O 3.23Å; M112-G114 PolarHBondContact O-N 2.76Å
115	S	80.9	Confident	88.8	Confident	91 Å²	91	75.6 Å²	75.6	64%	0.636	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	7.7	178	56.9	0	0	0	0	115	A113	A113-S115 PolarHBondContact O-N 3.03Å
116	K	84.8	Confident	89	Confident	47 Å²	47	76.9 Å²	76.9	20%	0.204	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	168.9	-175.7	-53.2	-178.1	-155.8	151.1	0	113.1	S96 M112 A113	S96-K116 WeakPolarHBondContact O-CE 3.46Å; S96-K116 PolarHBondContact O-NZ 3.43Å; M112-K116 CarbonylContact C-O 3.59Å; M112-K116 WeakPolarHBondContact CA-O 3.36Å; M112-K116 WeakPolarHBondContact CE-O 3.5Å; A113-K116 PolarHBondContact N-O 2.83Å; A113-K116 PolarHBondContact O-N 3.25Å; A113-K116 VanDerWaalsContact O-N 3.16Å
117	S	90.4	Very high	89.5	Confident	92 Å²	92	73.1 Å²	73.1	64%	0.643	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	148.8	172	-52.2	0	0	0	0	112
118	Y	94.8	Very high	90.3	Very high	23 Å²	23	76.5 Å²	76.5	9%	0.09	40%	0.404	C	S	.	.			trans	-70.2	145.2	169.3	-70.2	-77.3	0	0	0	112.2	V100 K102 E111 M112 A113	V100-Y118 HydrophobicContact CB-CD1 4.39Å; V100-Y118 HydrophobicContact CG1-CD1 3.84Å; V100-Y118 HydrophobicContact CG1-CE1 3.66Å; K102-Y118 HydrophobicContact CB-CD1 4.39Å; K102-Y118 HydrophobicContact CD-CD1 3.64Å; K102-Y118 HydrophobicContact CD-CD2 3.77Å; K102-Y118 HydrophobicContact CD-CE1 3.72Å; K102-Y118 HydrophobicContact CD-CE2 3.86Å; K102-Y118 HydrophobicContact CD-CG 3.67Å; K102-Y118 HydrophobicContact CG-CD1 3.61Å; K102-Y118 HydrophobicContact CG-CD2 4.33Å; K102-Y118 HydrophobicContact CG-CE1 4.12Å; K102-Y118 HydrophobicContact CG-CG 3.74Å; E111-Y118 HydrophobicContact CB-CD2 3.86Å; E111-Y118 HydrophobicContact CB-CE2 3.85Å; M112-Y118 WeakPolarHBondContact O-CE2 3.42Å; M112-Y118 PolarHBondContact O-OH 2.89Å; A113-Y118 HydrophobicContact CB-CD1 3.83Å; A113-Y118 HydrophobicContact CB-CD2 4.29Å; A113-Y118 HydrophobicContact CB-CE1 3.62Å; A113-Y118 HydrophobicContact CB-CE2 4.09Å; A113-Y118 HydrophobicContact CB-CG 4.16Å
119	S	96.2	Very high	91.7	Very high	44 Å²	44	64.9 Å²	64.9	31%	0.308	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	108.5	161.1	177.1	0	0	0	0	108.9	V100 S101 K102 L121	V100-S119 PolarHBondContact O-N 2.98Å; S101-S119 WeakPolarHBondContact CA-O 3.26Å; S101-S119 VanDerWaalsContact CB-O 3.27Å; S101-S119 WeakPolarHBondContact CB-O 3.43Å; K102-S119 PolarHBondContact N-O 2.76Å; S119-L121 PolarHBondContact O-N 3.02Å
120	Y	96.9	Very high	92.7	Very high	102 Å²	102	66.6 Å²	66.6	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.3	-177.4	-68.4	-59.3	0	0	0	112.9	K102 P104	K102-Y120 HydrophobicContact CD-CE1 4.35Å; K102-Y120 HydrophobicContact CG-CD1 4.15Å; K102-Y120 HydrophobicContact CG-CE1 3.97Å; K102-Y120 CarbonylContact O-C 3.44Å; K102-Y120 VanDerWaalsContact O-CA 3.3Å; K102-Y120 WeakPolarHBondContact O-CA 3.25Å; P104-Y120 VanDerWaalsContact CA-CD1 3.5Å; P104-Y120 HydrophobicContact CB-CD1 3.69Å; P104-Y120 HydrophobicContact CB-CD2 4.35Å; P104-Y120 HydrophobicContact CB-CE1 3.9Å; P104-Y120 HydrophobicContact CB-CG 3.94Å; P104-Y120 HydrophobicContact CG-CD1 4.39Å; P104-Y120 HydrophobicContact CG-CG 4.48Å
121	L	98.2	Very high	93.5	Very high	12 Å²	12	62 Å²	62	6%	0.063	34%	0.342	C	S	.	.			trans	-89.6	175.6	173	-63.2	168.1	0	0	0	110.7	I74 K102 L103 S119 D125 I127 V136 M147	I74-L121 HydrophobicContact CD1-CD1 4.33Å; I74-L121 HydrophobicContact CG2-CD1 4.44Å; K102-L121 PolarHBondContact O-N 2.84Å; L103-L121 VanDerWaalsContact CD2-C 3.46Å; L103-L121 HydrophobicContact CD2-CB 4Å; L103-L121 VanDerWaalsContact CD2-O 3.27Å; L103-L121 WeakPolarHBondContact CD2-O 3.37Å; S119-L121 PolarHBondContact O-N 3.02Å; L121-D125 WeakPolarHBondContact CA-OD2 3.48Å; L121-D125 HydrophobicContact CD2-CB 4.41Å; L121-I127 HydrophobicContact CD1-CD1 3.96Å; L121-V136 HydrophobicContact CD1-CG2 4.12Å; L121-M147 HydrophobicContact CD1-CE 3.72Å; L121-M147 HydrophobicContact CD1-SD 4.43Å
122	K	98.4	Very high	94	Very high	153 Å²	153	60.9 Å²	60.9	67%	0.665	34%	0.337	S	S	*	.			trans	-132.5	159.9	172.2	-61.7	176.6	-174.4	173.3	0	110.4	G124 D125 V136	K122-G124 PolarHBondContact O-N 3.27Å; K122-D125 PolarHBondContact N-OD2 2.91Å; K122-D125 WeakPolarHBondContact O-CB 3.47Å; K122-D125 PolarHBondContact O-N 2.75Å; K122-D125 VanDerWaalsContact O-N 3.12Å; K122-V136 VanDerWaalsContact O-CG1 3.29Å; K122-V136 WeakPolarHBondContact O-CG1 3.35Å
123	D	98.7	Very high	94.7	Very high	103 Å²	103	57.4 Å²	57.4	55%	0.551	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	133.9	170.5	-172.7	49.3	0	0	0	111	D125 L137 F138	D123-D125 VanDerWaalsContact C-N 3.29Å; D123-D125 PolarHBondContact O-N 3.29Å; D123-L137 WeakPolarHBondContact OD1-CA 3.29Å; D123-F138 HydrophobicContact CB-CB 3.75Å; D123-F138 PolarHBondContact OD1-N 2.86Å
124	G	98.7	Very high	95.5	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-3.3	-178.6	0	0	0	0	0	116.1	K122 V136	K122-G124 PolarHBondContact O-N 3.27Å; G124-V136 WeakPolarHBondContact CA-O 3.12Å; G124-V136 PolarHBondContact N-O 2.75Å
125	D	98.9	Very high	96.4	Very high	59 Å²	59	59.7 Å²	59.7	32%	0.316	32%	0.323	S	S	.	.			trans	-57.7	147.3	171.2	-80.2	-13.3	0	0	0	110.7	L121 K122 D123 V136	L121-D125 WeakPolarHBondContact CA-OD2 3.48Å; L121-D125 HydrophobicContact CD2-CB 4.41Å; K122-D125 PolarHBondContact N-OD2 2.91Å; K122-D125 WeakPolarHBondContact O-CB 3.47Å; K122-D125 PolarHBondContact O-N 2.75Å; K122-D125 VanDerWaalsContact O-N 3.12Å; D123-D125 VanDerWaalsContact C-N 3.29Å; D123-D125 PolarHBondContact O-N 3.29Å; D125-V136 HydrophobicContact CB-CB 4.29Å; D125-V136 HydrophobicContact CB-CG2 4.01Å; D125-V136 WeakPolarHBondContact O-CB 3.24Å; D125-V136 WeakPolarHBondContact O-CG2 3.34Å; D125-V136 PolarHBondContact O-N 3.42Å
126	I	98.8	Very high	97.3	Very high	84 Å²	84	55.3 Å²	55.3	43%	0.431	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.5	179.5	-55.3	-60.5	0	0	0	109.5	Q128 T133 K135	I126-Q128 HydrophobicContact CG2-CG 3.82Å; I126-T133 HydrophobicContact CG2-CG2 3.54Å; I126-K135 HydrophobicContact CD1-CB 3.73Å; I126-K135 HydrophobicContact CD1-CD 4.33Å; I126-K135 HydrophobicContact CD1-CG 3.78Å
127	I	98.8	Very high	97.9	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.6	173.9	-60.2	148.1	0	0	0	107.3	V43 I74 L121 L134 V136 L149	V43-I127 HydrophobicContact CG2-CG2 3.92Å; I74-I127 HydrophobicContact CD1-CD1 3.67Å; I74-I127 HydrophobicContact CD1-CG1 4.28Å; I74-I127 HydrophobicContact CD1-CG2 4.45Å; I74-I127 HydrophobicContact CG1-CD1 3.99Å; I74-I127 HydrophobicContact CG2-CD1 4.36Å; L121-I127 HydrophobicContact CD1-CD1 3.96Å; I127-L134 HydrophobicContact CB-CB 4.17Å; I127-L134 PolarHBondContact N-O 3.19Å; I127-L134 PolarHBondContact O-N 2.83Å; I127-V136 HydrophobicContact CD1-CG2 3.83Å; I127-L149 HydrophobicContact CD1-CD2 4.03Å
128	Q	98.6	Very high	98.3	Very high	135 Å²	135	53.1 Å²	53.1	63%	0.631	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.4	-178.4	-61.5	-171.4	-57.7	0	0	111	Q71 I126 T133	Q71-Q128 PolarHBondContact NE2-O 2.97Å; I126-Q128 HydrophobicContact CG2-CG 3.82Å; Q128-T133 HydrophobicContact CG-CG2 4.44Å
129	T	98.6	Very high	98.5	Very high	17 Å²	17	52 Å²	52	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.7	167.1	-168.9	0	0	0	0	108.7	V36 R41 V43 Q71 G131 A132	V36-T129 WeakPolarHBondContact O-CG2 3.28Å; R41-T129 PolarHBondContact O-OG1 3.41Å; R41-T129 VanDerWaalsContact O-OG1 3.07Å; V43-T129 HydrophobicContact CG2-CG2 4.04Å; Q71-T129 VanDerWaalsContact OE1-CB 3.3Å; Q71-T129 PolarHBondContact OE1-OG1 2.85Å; T129-G131 PolarHBondContact O-N 3.14Å; T129-A132 HydrophobicContact CG2-CB 3.8Å; T129-A132 PolarHBondContact N-O 3.22Å; T129-A132 PolarHBondContact O-N 2.94Å; T129-A132 VanDerWaalsContact O-N 3.1Å
130	E	98.8	Very high	98.6	Very high	123 Å²	123	51 Å²	51	58%	0.575	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	119.9	-178.3	-170.6	-170.1	129.6	0	0	109.9	G37 T38 G39 A132	G37-E130 CarbonylContact C-O 3.45Å; G37-E130 WeakPolarHBondContact CA-O 3.35Å; T38-E130 PolarHBondContact N-O 2.9Å; T38-E130 PolarHBondContact OG1-O 3.46Å; G39-E130 VanDerWaalsContact CA-OE1 3.27Å; G39-E130 WeakPolarHBondContact CA-OE1 3.46Å; G39-E130 VanDerWaalsContact CA-OE2 3.27Å; G39-E130 WeakPolarHBondContact CA-OE2 3.4Å; E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 2.88Å
131	G	98.6	Very high	98.7	Very high	31 Å²	31	46.3 Å²	46.3	32%	0.32	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	6	178.4	0	0	0	0	0	115.9	R14 T129	R14-G131 VanDerWaalsContact CD-O 3.22Å; R14-G131 WeakPolarHBondContact CD-O 3.23Å; R14-G131 PolarHBondContact NE-O 3.47Å; T129-G131 PolarHBondContact O-N 3.14Å
132	A	98.9	Very high	98.7	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.2	177.4	0	0	0	0	0	113.8	V36 T129 E130 L151 E153	V36-A132 HydrophobicContact CG1-CB 3.82Å; T129-A132 HydrophobicContact CG2-CB 3.8Å; T129-A132 PolarHBondContact N-O 3.22Å; T129-A132 PolarHBondContact O-N 2.94Å; T129-A132 VanDerWaalsContact O-N 3.1Å; E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 2.88Å; A132-L151 HydrophobicContact CB-CD1 3.69Å; A132-E153 WeakPolarHBondContact CA-OE2 3.4Å
133	T	98.9	Very high	98.7	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.6	177.3	-52.3	0	0	0	0	109	I126 Q128 L151 E152 E153	I126-T133 HydrophobicContact CG2-CG2 3.54Å; Q128-T133 HydrophobicContact CG-CG2 4.44Å; T133-L151 WeakPolarHBondContact O-CA 3.41Å; T133-E152 HydrophobicContact CG2-CG 4.4Å; T133-E152 PolarHBondContact O-N 3.38Å; T133-E153 WeakPolarHBondContact CB-OE1 3.49Å; T133-E153 VanDerWaalsContact N-CD 3.31Å; T133-E153 PolarHBondContact N-OE1 3.32Å; T133-E153 PolarHBondContact N-OE2 3.49Å; T133-E153 PolarHBondContact OG1-OE1 3.12Å
134	L	98.9	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.1	179.5	-65.7	168.8	0	0	0	109.7	V36 V43 I45 I127 L149 L150 L151 F158	V36-L134 HydrophobicContact CB-CD1 4.45Å; V36-L134 HydrophobicContact CG1-CD1 4.34Å; V36-L134 HydrophobicContact CG1-CD2 4.29Å; V36-L134 HydrophobicContact CG1-CG 4.49Å; V43-L134 HydrophobicContact CB-CD1 4.25Å; V43-L134 HydrophobicContact CG1-CD1 3.97Å; V43-L134 HydrophobicContact CG2-CD1 4.48Å; I45-L134 HydrophobicContact CD1-CD1 4.22Å; I127-L134 HydrophobicContact CB-CB 4.17Å; I127-L134 PolarHBondContact N-O 3.19Å; I127-L134 PolarHBondContact O-N 2.83Å; L134-L149 HydrophobicContact CB-CD2 4.42Å; L134-L149 HydrophobicContact CD2-CB 4.26Å; L134-L150 CarbonylContact C-O 3.59Å; L134-L150 WeakPolarHBondContact CA-O 3.29Å; L134-L151 HydrophobicContact CD2-CB 4Å; L134-L151 HydrophobicContact CD2-CD1 4.1Å; L134-F158 HydrophobicContact CD2-CD2 3.92Å; L134-F158 HydrophobicContact CD2-CE2 3.67Å
135	K	98.9	Very high	98.6	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.339	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.5	172.1	178.6	177.5	-179.8	-177.8	0	110.5	I126 L137 L149 L150	I126-K135 HydrophobicContact CD1-CB 3.73Å; I126-K135 HydrophobicContact CD1-CD 4.33Å; I126-K135 HydrophobicContact CD1-CG 3.78Å; K135-L137 HydrophobicContact CD-CD2 4.44Å; K135-L137 HydrophobicContact CG-CD2 4.38Å; K135-L149 WeakPolarHBondContact O-CA 3.23Å; K135-L150 HydrophobicContact CB-CB 4.34Å; K135-L150 PolarHBondContact N-O 2.86Å; K135-L150 PolarHBondContact O-N 3.46Å
136	V	98.9	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.9	175.7	175.6	0	0	0	0	110.5	L103 L121 K122 G124 D125 I127 M147 L149	L103-V136 HydrophobicContact CD2-CG1 4.21Å; L121-V136 HydrophobicContact CD1-CG2 4.12Å; K122-V136 VanDerWaalsContact O-CG1 3.29Å; K122-V136 WeakPolarHBondContact O-CG1 3.35Å; G124-V136 WeakPolarHBondContact CA-O 3.12Å; G124-V136 PolarHBondContact N-O 2.75Å; D125-V136 HydrophobicContact CB-CB 4.29Å; D125-V136 HydrophobicContact CB-CG2 4.01Å; D125-V136 WeakPolarHBondContact O-CB 3.24Å; D125-V136 WeakPolarHBondContact O-CG2 3.34Å; D125-V136 PolarHBondContact O-N 3.42Å; I127-V136 HydrophobicContact CD1-CG2 3.83Å; V136-M147 HydrophobicContact CB-CE 4.02Å; V136-M147 HydrophobicContact CG1-CE 3.35Å; V136-M147 HydrophobicContact CG2-CE 3.57Å; V136-L149 HydrophobicContact CG2-CD2 3.94Å
137	L	98.9	Very high	98.6	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.068	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110.5	173	-55.3	177.5	0	0	0	109.1	D123 K135 T139 M147 A148 L150 L184 T187	D123-L137 WeakPolarHBondContact OD1-CA 3.29Å; K135-L137 HydrophobicContact CD-CD2 4.44Å; K135-L137 HydrophobicContact CG-CD2 4.38Å; L137-T139 HydrophobicContact CB-CG2 4.23Å; L137-T139 PolarHBondContact O-N 3.39Å; L137-T139 PolarHBondContact O-OG1 2.91Å; L137-M147 WeakPolarHBondContact O-CA 3.49Å; L137-A148 HydrophobicContact CB-CB 4.31Å; L137-A148 PolarHBondContact N-O 3.4Å; L137-A148 PolarHBondContact O-N 3.48Å; L137-L150 HydrophobicContact CD1-CB 4.09Å; L137-L184 HydrophobicContact CD1-CD2 4Å; L137-T187 HydrophobicContact CD1-CG2 3.76Å
138	F	98.8	Very high	98.6	Very high	79 Å²	79	26.7 Å²	26.7	35%	0.346	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.6	172.7	179.3	-138.5	0	0	0	109.7	L103 D123 P140 D144 H146	L103-F138 HydrophobicContact CD1-CB 3.82Å; L103-F138 HydrophobicContact CD1-CD2 3.32Å; L103-F138 HydrophobicContact CD1-CE2 4.18Å; L103-F138 HydrophobicContact CD1-CG 3.9Å; D123-F138 HydrophobicContact CB-CB 3.75Å; D123-F138 PolarHBondContact OD1-N 2.86Å; F138-P140 VanDerWaalsContact C-CD 3.47Å; F138-P140 HydrophobicContact CD1-CG 4.32Å; F138-P140 HydrophobicContact CD2-CG 4.46Å; F138-P140 HydrophobicContact CE1-CB 4.33Å; F138-P140 HydrophobicContact CE1-CG 3.83Å; F138-P140 HydrophobicContact CE2-CB 3.78Å; F138-P140 HydrophobicContact CE2-CG 4.01Å; F138-P140 HydrophobicContact CZ-CB 3.66Å; F138-P140 HydrophobicContact CZ-CG 3.68Å; F138-P140 WeakPolarHBondContact O-CD 3.37Å; F138-D144 WeakPolarHBondContact CE2-O 3.35Å; F138-H146 WeakPolarHBondContact CD2-O 3.46Å
139	T	98.8	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.			trans	-129.9	63.2	-171.4	44.4	0	0	0	0	110.6	L137 H146 A148 S180 L184	L137-T139 HydrophobicContact CB-CG2 4.23Å; L137-T139 PolarHBondContact O-N 3.39Å; L137-T139 PolarHBondContact O-OG1 2.91Å; T139-H146 CarbonylContact C-O 3.53Å; T139-H146 PolarHBondContact N-O 3.47Å; T139-H146 WeakPolarHBondContact O-CB 3.49Å; T139-H146 PolarHBondContact O-ND1 2.89Å; T139-H146 PolarHBondContact OG1-ND1 3.18Å; T139-A148 HydrophobicContact CG2-CB 4.09Å; T139-A148 PolarHBondContact OG1-N 3.41Å; T139-A148 VanDerWaalsContact OG1-N 3.11Å; T139-S180 VanDerWaalsContact CA-OG 3.23Å; T139-S180 WeakPolarHBondContact CA-OG 3.35Å; T139-L184 HydrophobicContact CG2-CD2 3.85Å; T139-L184 HydrophobicContact CG2-CG 4.06Å
140	P	98.5	Very high	98.6	Very high	22 Å²	22	20.3 Å²	20.3	14%	0.143	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	165.7	-177.2	30	-36.1	0	0	0	112.1	F138 T143 D176 Y177 S180	F138-P140 VanDerWaalsContact C-CD 3.47Å; F138-P140 HydrophobicContact CD1-CG 4.32Å; F138-P140 HydrophobicContact CD2-CG 4.46Å; F138-P140 HydrophobicContact CE1-CB 4.33Å; F138-P140 HydrophobicContact CE1-CG 3.83Å; F138-P140 HydrophobicContact CE2-CB 3.78Å; F138-P140 HydrophobicContact CE2-CG 4.01Å; F138-P140 HydrophobicContact CZ-CB 3.66Å; F138-P140 HydrophobicContact CZ-CG 3.68Å; F138-P140 WeakPolarHBondContact O-CD 3.37Å; P140-T143 WeakPolarHBondContact CA-O 2.97Å; P140-D176 HydrophobicContact CB-CB 4.35Å; P140-D176 HydrophobicContact CG-CB 4.22Å; P140-D176 CarbonylContact O-C 3.51Å; P140-Y177 PolarHBondContact O-N 3.01Å; P140-S180 WeakPolarHBondContact CD-OG 3.32Å; P140-S180 WeakPolarHBondContact O-CB 3.46Å; P140-S180 PolarHBondContact O-OG 3.37Å
141	G	97.9	Very high	98.6	Very high	4 Å²	4	14.4 Å²	14.4	4%	0.041	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.3	-46.6	174.9	0	0	0	0	0	111.3	T143 F171 E172 D173	G141-T143 PolarHBondContact N-O 3.39Å; G141-T143 VanDerWaalsContact N-O 3.17Å; G141-F171 CarbonylContact O-C 3.58Å; G141-F171 WeakPolarHBondContact O-CA 3.14Å; G141-F171 WeakPolarHBondContact O-CB 3.39Å; G141-E172 PolarHBondContact O-N 3.37Å; G141-D173 WeakPolarHBondContact CA-O 3.48Å; G141-D173 PolarHBondContact O-N 2.91Å
142	H	98.2	Very high	98.6	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-59.5	-56.4	166	178.5	69.3	0	0	0	109.6	H77 H79 H146 D161 V170 E172	H77-H142 AromaticContact CD2-CD2 3.67Å; H77-H142 AromaticContact CD2-NE2 3.73Å; H77-H142 AromaticContact NE2-CD2 3.58Å; H77-H142 AromaticContact NE2-NE2 3.27Å; H77-H142 PolarHBondContact NE2-NE2 3.2Å; H79-H142 AromaticContact CE1-CD2 3.99Å; H79-H142 AromaticContact CE1-CE1 3.75Å; H79-H142 AromaticContact CE1-NE2 3.11Å; H79-H142 PolarHBondContact CE1-NE2 3.2Å; H79-H142 AromaticContact ND1-CE1 3.95Å; H79-H142 AromaticContact ND1-NE2 3.07Å; H79-H142 PolarHBondContact ND1-NE2 3.17Å; H142-H146 HydrophobicContact CB-CB 4.47Å; H142-H146 AromaticContact CD2-CD2 3.79Å; H142-D161 IonicContact CE1-OD2 3.16Å; H142-D161 WeakPolarHBondContact NE2-CB 3.39Å; H142-D161 IonicContact NE2-OD2 3.63Å; H142-V170 PolarHBondContact ND1-O 3.11Å; H142-E172 WeakPolarHBondContact O-CG 3.41Å; H142-E172 PolarHBondContact O-N 3.02Å; H142-E172 VanDerWaalsContact O-N 3.14Å
143	T	98.3	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	10%	0.101	C	C	.	.	S	Bend	trans	-134.6	168.3	165.8	57.3	0	0	0	0	110.3	H77 W78 H79 P140 G141 D145 H146 E172	H77-T143 VanDerWaalsContact CB-OG1 3.31Å; H77-T143 WeakPolarHBondContact CB-OG1 3.31Å; W78-T143 VanDerWaalsContact NE1-CG2 3.27Å; H79-T143 VanDerWaalsContact CE1-CG2 3.47Å; H79-T143 WeakPolarHBondContact CE1-CG2 3.47Å; P140-T143 WeakPolarHBondContact CA-O 2.97Å; G141-T143 PolarHBondContact N-O 3.39Å; G141-T143 VanDerWaalsContact N-O 3.17Å; T143-D145 VanDerWaalsContact C-N 3.26Å; T143-D145 WeakPolarHBondContact CB-OD1 3.39Å; T143-D145 PolarHBondContact O-N 2.8Å; T143-D145 PolarHBondContact OG1-OD1 3.17Å; T143-H146 PolarHBondContact O-N 3.41Å; T143-H146 WeakPolarHBondContact OG1-CB 3.5Å; T143-H146 PolarHBondContact OG1-N 2.93Å; T143-E172 WeakPolarHBondContact CA-OE2 3.4Å
144	D	97.4	Very high	98.6	Very high	32 Å²	32	21.4 Å²	21.4	17%	0.171	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.7	179.1	68.8	-13.1	0	0	0	115.1	R105 A106 T107 F138 E172	R105-D144 WeakPolarHBondContact CG-OD1 3.42Å; R105-D144 IonicContact CZ-OD1 2.6Å; R105-D144 IonicContact NE-OD1 2.98Å; R105-D144 PolarHBondContact NE-OD1 3.12Å; R105-D144 IonicContact NE-OD2 2.99Å; R105-D144 IonicContact NH2-OD1 2.84Å; A106-D144 HydrophobicContact CB-CB 4.02Å; A106-D144 WeakPolarHBondContact CB-OD2 3.45Å; A106-D144 PolarHBondContact N-OD2 3.47Å; T107-D144 PolarHBondContact N-OD2 3.29Å; F138-D144 WeakPolarHBondContact CE2-O 3.35Å; D144-E172 PolarHBondContact N-OE2 2.8Å
145	D	97.9	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	9	179	67.6	-19.5	0	0	0	114	H77 W78 K102 L103 R105 T143 M147	H77-D145 WeakPolarHBondContact CB-OD1 3.24Å; W78-D145 WeakPolarHBondContact CB-OD2 3.45Å; W78-D145 VanDerWaalsContact CD1-OD1 3.31Å; W78-D145 PolarHBondContact N-OD1 3.04Å; W78-D145 PolarHBondContact N-OD2 2.96Å; K102-D145 WeakPolarHBondContact CE-OD2 3.46Å; K102-D145 IonicContact NZ-OD2 3.72Å; K102-D145 PolarHBondContact NZ-OD2 3.45Å; L103-D145 WeakPolarHBondContact CB-O 3.4Å; R105-D145 HydrophobicContact CG-CB 3.78Å; T143-D145 VanDerWaalsContact C-N 3.26Å; T143-D145 WeakPolarHBondContact CB-OD1 3.39Å; T143-D145 PolarHBondContact O-N 2.8Å; T143-D145 PolarHBondContact OG1-OD1 3.17Å; D145-M147 PolarHBondContact O-N 2.9Å
146	H	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.			trans	-63	129	-171.5	-172.2	-77.9	0	0	0	112.1	H77 F138 T139 H142 T143 S159 D161 C162	H77-H146 HydrophobicContact CB-CB 4.38Å; H77-H146 AromaticContact CG-CD2 3.95Å; H77-H146 AromaticContact ND1-CD2 3.89Å; F138-H146 WeakPolarHBondContact CD2-O 3.46Å; T139-H146 CarbonylContact C-O 3.53Å; T139-H146 PolarHBondContact N-O 3.47Å; T139-H146 WeakPolarHBondContact O-CB 3.49Å; T139-H146 PolarHBondContact O-ND1 2.89Å; T139-H146 PolarHBondContact OG1-ND1 3.18Å; H142-H146 HydrophobicContact CB-CB 4.47Å; H142-H146 AromaticContact CD2-CD2 3.79Å; T143-H146 PolarHBondContact O-N 3.41Å; T143-H146 WeakPolarHBondContact OG1-CB 3.5Å; T143-H146 PolarHBondContact OG1-N 2.93Å; H146-S159 PolarHBondContact CE1-O 2.95Å; H146-S159 PolarHBondContact NE2-O 3.43Å; H146-D161 PolarHBondContact NE2-N 2.63Å; H146-D161 VanDerWaalsContact NE2-N 3.11Å; H146-C162 PolarHBondContact NE2-N 3.13Å
147	M	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.2	172.3	75	-171.9	-49.6	0	0	111.7	I74 T76 L103 L121 V136 L137 D145 L149	I74-M147 HydrophobicContact CG2-CE 4.25Å; I74-M147 HydrophobicContact CG2-SD 3.9Å; T76-M147 WeakPolarHBondContact O-CG 3.44Å; T76-M147 PolarHBondContact O-N 3.2Å; L103-M147 HydrophobicContact CD1-CB 3.57Å; L103-M147 HydrophobicContact CG-CB 3.92Å; L103-M147 HydrophobicContact CG-CE 4.3Å; L103-M147 HydrophobicContact CG-SD 4.38Å; L121-M147 HydrophobicContact CD1-CE 3.72Å; L121-M147 HydrophobicContact CD1-SD 4.43Å; V136-M147 HydrophobicContact CB-CE 4.02Å; V136-M147 HydrophobicContact CG1-CE 3.35Å; V136-M147 HydrophobicContact CG2-CE 3.57Å; L137-M147 WeakPolarHBondContact O-CA 3.49Å; D145-M147 PolarHBondContact O-N 2.9Å; M147-L149 HydrophobicContact CE-CD2 3.94Å
148	A	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	161.3	162.2	0	0	0	0	0	108.4	L137 T139 I157 F158 L184	L137-A148 HydrophobicContact CB-CB 4.31Å; L137-A148 PolarHBondContact N-O 3.4Å; L137-A148 PolarHBondContact O-N 3.48Å; T139-A148 HydrophobicContact CG2-CB 4.09Å; T139-A148 PolarHBondContact OG1-N 3.41Å; T139-A148 VanDerWaalsContact OG1-N 3.11Å; A148-I157 HydrophobicContact CB-CG2 4.18Å; A148-F158 CarbonylContact C-O 3.57Å; A148-F158 VanDerWaalsContact CA-O 3.26Å; A148-F158 WeakPolarHBondContact CA-O 3.35Å; A148-F158 WeakPolarHBondContact CB-O 3.33Å; A148-L184 HydrophobicContact CB-CD2 3.84Å
149	L	98.9	Very high	98.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130	178.2	-61	156.3	0	0	0	109.4	I45 I74 I127 L134 K135 V136 M147 I157 F158	I45-L149 HydrophobicContact CD1-CD1 3.67Å; I45-L149 HydrophobicContact CG1-CD1 3.95Å; I45-L149 HydrophobicContact CG2-CD1 4.06Å; I74-L149 HydrophobicContact CG2-CD1 3.91Å; I74-L149 HydrophobicContact CG2-CD2 4.4Å; I127-L149 HydrophobicContact CD1-CD2 4.03Å; L134-L149 HydrophobicContact CB-CD2 4.42Å; L134-L149 HydrophobicContact CD2-CB 4.26Å; K135-L149 WeakPolarHBondContact O-CA 3.23Å; V136-L149 HydrophobicContact CG2-CD2 3.94Å; M147-L149 HydrophobicContact CE-CD2 3.94Å; L149-I157 CarbonylContact O-C 3.32Å; L149-I157 WeakPolarHBondContact O-CA 3.46Å; L149-F158 HydrophobicContact CB-CB 4.21Å; L149-F158 HydrophobicContact CB-CD2 4.18Å; L149-F158 PolarHBondContact N-O 3.38Å; L149-F158 PolarHBondContact O-N 2.91Å
150	L	98.9	Very high	98.6	Very high	18 Å²	18	16.4 Å²	16.4	9%	0.094	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.2	170.8	176.9	67.8	0	0	0	109.2	L134 K135 L137 E152 I157	L134-L150 CarbonylContact C-O 3.59Å; L134-L150 WeakPolarHBondContact CA-O 3.29Å; K135-L150 HydrophobicContact CB-CB 4.34Å; K135-L150 PolarHBondContact N-O 2.86Å; K135-L150 PolarHBondContact O-N 3.46Å; L137-L150 HydrophobicContact CD1-CB 4.09Å; L150-E152 PolarHBondContact O-N 3.37Å; L150-I157 HydrophobicContact CD1-CG1 4.19Å
151	L	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.8	167.5	178.1	58.7	0	0	0	108.9	R14 V15 V36 A132 T133 L134 E153 E154 Q155 A156 F158	R14-L151 HydrophobicContact CB-CD2 4.49Å; V15-L151 HydrophobicContact CG2-CD2 3.81Å; V36-L151 HydrophobicContact CG1-CD1 4.2Å; V36-L151 HydrophobicContact CG1-CD2 4.43Å; A132-L151 HydrophobicContact CB-CD1 3.69Å; T133-L151 WeakPolarHBondContact O-CA 3.41Å; L134-L151 HydrophobicContact CD2-CB 4Å; L134-L151 HydrophobicContact CD2-CD1 4.1Å; L151-E153 WeakPolarHBondContact CD1-OE2 3.49Å; L151-E153 PolarHBondContact O-N 3.17Å; L151-E154 HydrophobicContact CD2-CB 3.89Å; L151-E154 HydrophobicContact CD2-CG 3.84Å; L151-E154 HydrophobicContact CG-CB 4.16Å; L151-E154 HydrophobicContact CG-CG 4.34Å; L151-E154 PolarHBondContact O-N 3.14Å; L151-Q155 WeakPolarHBondContact O-CA 3.47Å; L151-Q155 PolarHBondContact O-N 3.3Å; L151-A156 PolarHBondContact N-O 2.9Å; L151-A156 PolarHBondContact O-N 2.85Å; L151-F158 HydrophobicContact CB-CE2 3.99Å; L151-F158 HydrophobicContact CD2-CE2 4.31Å
152	E	98.8	Very high	98.7	Very high	91 Å²	91	15.8 Å²	15.8	43%	0.425	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-64.5	-38.6	-171.1	-62.6	-170.3	161.2	0	0	112.4	T133 L150 E154 Q155	T133-E152 HydrophobicContact CG2-CG 4.4Å; T133-E152 PolarHBondContact O-N 3.38Å; L150-E152 PolarHBondContact O-N 3.37Å; E152-E154 VanDerWaalsContact C-N 3.26Å; E152-E154 PolarHBondContact O-N 3.02Å; E152-Q155 PolarHBondContact O-N 2.88Å
153	E	98.8	Very high	98.7	Very high	76 Å²	76	15.6 Å²	15.6	36%	0.355	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.7	-176.3	-64.1	82.8	175.6	0	0	114.3	A132 T133 L151	A132-E153 WeakPolarHBondContact CA-OE2 3.4Å; T133-E153 WeakPolarHBondContact CB-OE1 3.49Å; T133-E153 VanDerWaalsContact N-CD 3.31Å; T133-E153 PolarHBondContact N-OE1 3.32Å; T133-E153 PolarHBondContact N-OE2 3.49Å; T133-E153 PolarHBondContact OG1-OE1 3.12Å; L151-E153 WeakPolarHBondContact CD1-OE2 3.49Å; L151-E153 PolarHBondContact O-N 3.17Å
154	E	98.7	Very high	98.7	Very high	32 Å²	32	16.2 Å²	16.2	15%	0.15	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-116.4	3.1	178.8	-60	-169.3	175.5	0	0	112.4	S12 R14 L151 E152 A156 Y193	S12-E154 WeakPolarHBondContact CB-OE1 3.45Å; S12-E154 VanDerWaalsContact CB-OE2 3.24Å; S12-E154 WeakPolarHBondContact CB-OE2 3.23Å; S12-E154 PolarHBondContact OG-OE1 3.26Å; S12-E154 PolarHBondContact OG-OE2 3.11Å; R14-E154 WeakPolarHBondContact CB-OE1 3.37Å; R14-E154 WeakPolarHBondContact CD-OE1 3.41Å; R14-E154 WeakPolarHBondContact CG-OE1 3.44Å; R14-E154 IonicContact NH1-OE1 3.41Å; L151-E154 HydrophobicContact CD2-CB 3.89Å; L151-E154 HydrophobicContact CD2-CG 3.84Å; L151-E154 HydrophobicContact CG-CB 4.16Å; L151-E154 HydrophobicContact CG-CG 4.34Å; L151-E154 PolarHBondContact O-N 3.14Å; E152-E154 VanDerWaalsContact C-N 3.26Å; E152-E154 PolarHBondContact O-N 3.02Å; E154-A156 HydrophobicContact CB-CB 4.08Å; E154-A156 PolarHBondContact O-N 2.86Å; E154-A156 VanDerWaalsContact O-N 3.13Å; E154-Y193 PolarHBondContact OE2-OH 2.85Å
155	Q	98.6	Very high	98.7	Very high	60 Å²	60	15.3 Å²	15.3	28%	0.28	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	43.6	-175.1	-162.7	48.2	46	0	0	111.3	L151 E152 T187 A189 D190	L151-Q155 WeakPolarHBondContact O-CA 3.47Å; L151-Q155 PolarHBondContact O-N 3.3Å; E152-Q155 PolarHBondContact O-N 2.88Å; Q155-T187 PolarHBondContact NE2-O 3.39Å; Q155-A189 CarbonylContact O-C 3.54Å; Q155-A189 WeakPolarHBondContact O-CA 3.45Å; Q155-A189 WeakPolarHBondContact O-CB 3.46Å; Q155-D190 PolarHBondContact O-N 3.31Å
156	A	98.9	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.5	-169.8	0	0	0	0	0	111.3	L151 E154 L191 Y193	L151-A156 PolarHBondContact N-O 2.9Å; L151-A156 PolarHBondContact O-N 2.85Å; E154-A156 HydrophobicContact CB-CB 4.08Å; E154-A156 PolarHBondContact O-N 2.86Å; E154-A156 VanDerWaalsContact O-N 3.13Å; A156-L191 WeakPolarHBondContact CA-O 3.28Å; A156-L191 HydrophobicContact CB-CD1 3.8Å; A156-L191 HydrophobicContact CB-CG 3.87Å; A156-Y193 HydrophobicContact CB-CD2 4.08Å; A156-Y193 HydrophobicContact CB-CE2 3.72Å
157	I	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.6	177.5	-69.1	163.6	0	0	0	110.4	A148 L149 L150 L184 T187 A189 L191 I192 Y193	A148-I157 HydrophobicContact CB-CG2 4.18Å; L149-I157 CarbonylContact O-C 3.32Å; L149-I157 WeakPolarHBondContact O-CA 3.46Å; L150-I157 HydrophobicContact CD1-CG1 4.19Å; I157-L184 HydrophobicContact CD1-CB 4.14Å; I157-L184 HydrophobicContact CD1-CD2 3.88Å; I157-L184 HydrophobicContact CG2-CD2 4.12Å; I157-T187 HydrophobicContact CD1-CG2 4.29Å; I157-T187 VanDerWaalsContact CD1-OG1 3.27Å; I157-T187 WeakPolarHBondContact CD1-OG1 3.14Å; I157-A189 HydrophobicContact CD1-CB 3.56Å; I157-A189 HydrophobicContact CG1-CB 3.7Å; I157-L191 PolarHBondContact N-O 3.39Å; I157-I192 HydrophobicContact CB-CG1 4.5Å; I157-I192 CarbonylContact O-C 3.58Å; I157-I192 WeakPolarHBondContact O-CA 3.31Å; I157-I192 WeakPolarHBondContact O-CG2 3.37Å; I157-Y193 PolarHBondContact O-N 3.42Å
158	F	98.9	Very high	97.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	106.1	154.8	-59.3	-86.3	0	0	0	108.4	V15 Y34 V36 I45 L134 A148 L149 L151 Y193	V15-F158 HydrophobicContact CG1-CE1 4Å; V15-F158 HydrophobicContact CG1-CZ 4.12Å; V15-F158 HydrophobicContact CG2-CZ 3.82Å; Y34-F158 HydrophobicContact CD1-CD1 4.34Å; Y34-F158 AromaticContact CD1-CE1 3.83Å; Y34-F158 HydrophobicContact CD1-CE1 3.83Å; Y34-F158 AromaticContact CD2-CD1 3.66Å; Y34-F158 HydrophobicContact CD2-CD1 3.66Å; Y34-F158 AromaticContact CD2-CE1 3.92Å; Y34-F158 HydrophobicContact CD2-CE1 3.92Å; Y34-F158 HydrophobicContact CE1-CE1 4.39Å; Y34-F158 HydrophobicContact CE2-CD1 4.03Å; Y34-F158 HydrophobicContact CE2-CE1 4.47Å; Y34-F158 AromaticContact CG-CD1 3.82Å; Y34-F158 HydrophobicContact CG-CD1 3.82Å; Y34-F158 AromaticContact CG-CE1 3.55Å; Y34-F158 HydrophobicContact CG-CE1 3.55Å; V36-F158 HydrophobicContact CG1-CZ 4.46Å; V36-F158 HydrophobicContact CG2-CE1 4.07Å; V36-F158 HydrophobicContact CG2-CE2 3.99Å; V36-F158 HydrophobicContact CG2-CZ 3.47Å; V36-F158 VanDerWaalsContact CG2-CZ 3.47Å; I45-F158 HydrophobicContact CD1-CB 4.18Å; I45-F158 HydrophobicContact CD1-CD1 3.73Å; I45-F158 HydrophobicContact CD1-CD2 3.57Å; I45-F158 HydrophobicContact CD1-CE1 3.96Å; I45-F158 HydrophobicContact CD1-CE2 3.78Å; I45-F158 HydrophobicContact CD1-CG 3.53Å; I45-F158 HydrophobicContact CD1-CZ 3.98Å; L134-F158 HydrophobicContact CD2-CD2 3.92Å; L134-F158 HydrophobicContact CD2-CE2 3.67Å; A148-F158 CarbonylContact C-O 3.57Å; A148-F158 VanDerWaalsContact CA-O 3.26Å; A148-F158 WeakPolarHBondContact CA-O 3.35Å; A148-F158 WeakPolarHBondContact CB-O 3.33Å; L149-F158 HydrophobicContact CB-CB 4.21Å; L149-F158 HydrophobicContact CB-CD2 4.18Å; L149-F158 PolarHBondContact N-O 3.38Å; L149-F158 PolarHBondContact O-N 2.91Å; L151-F158 HydrophobicContact CB-CE2 3.99Å; L151-F158 HydrophobicContact CD2-CE2 4.31Å; F158-Y193 VanDerWaalsContact CA-O 3.29Å; F158-Y193 WeakPolarHBondContact CA-O 3.41Å; F158-Y193 VanDerWaalsContact CD1-CB 3.45Å; F158-Y193 HydrophobicContact CD1-CD2 4.02Å; F158-Y193 HydrophobicContact CD1-CG 4.1Å; F158-Y193 AromaticContact CE1-CD2 3.54Å; F158-Y193 HydrophobicContact CE1-CD2 3.54Å; F158-Y193 HydrophobicContact CE1-CE2 4.42Å; F158-Y193 AromaticContact CE1-CG 3.81Å; F158-Y193 HydrophobicContact CE1-CG 3.81Å; F158-Y193 HydrophobicContact CE2-CD2 4.31Å; F158-Y193 AromaticContact CZ-CD2 3.71Å; F158-Y193 HydrophobicContact CZ-CD2 3.71Å; F158-Y193 HydrophobicContact CZ-CE2 4.27Å; F158-Y193 HydrophobicContact CZ-CG 4.43Å
159	S	98.9	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-5.2	-167.3	55.5	0	0	0	0	114.6	H146 D161 C162 I163 I192 Y193 P194	H146-S159 PolarHBondContact CE1-O 2.95Å; H146-S159 PolarHBondContact NE2-O 3.43Å; S159-D161 PolarHBondContact O-N 3.23Å; S159-C162 VanDerWaalsContact O-CB 3.31Å; S159-C162 WeakPolarHBondContact O-CB 3.43Å; S159-C162 PolarHBondContact O-N 3.45Å; S159-I163 PolarHBondContact OG-O 3.31Å; S159-I192 VanDerWaalsContact CB-CG2 3.48Å; S159-I192 WeakPolarHBondContact OG-CG2 3.39Å; S159-Y193 PolarHBondContact N-O 3.06Å; S159-Y193 VanDerWaalsContact N-O 3.15Å; S159-P194 WeakPolarHBondContact OG-CA 3.15Å
160	G	98.8	Very high	97.2	Very high	3 Å²	3	28 Å²	28	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	-128.9	-166.9	0	0	0	0	0	109.6	G195	G160-G195 WeakPolarHBondContact O-CA 3.22Å; G160-G195 PolarHBondContact O-N 3.4Å
161	D	98.8	Very high	97	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.4	-179.3	-86.1	22.8	0	0	0	114	H82 H142 H146 S159 I163 L164 A169 H196	H82-D161 IonicContact CE1-OD1 2.72Å; H82-D161 PolarHBondContact CE1-OD1 3.3Å; H82-D161 IonicContact NE2-OD1 3.2Å; H82-D161 PolarHBondContact NE2-OD1 3.11Å; H82-D161 IonicContact NE2-OD2 2.64Å; H142-D161 IonicContact CE1-OD2 3.16Å; H142-D161 WeakPolarHBondContact NE2-CB 3.39Å; H142-D161 IonicContact NE2-OD2 3.63Å; H146-D161 PolarHBondContact NE2-N 2.63Å; H146-D161 VanDerWaalsContact NE2-N 3.11Å; S159-D161 PolarHBondContact O-N 3.23Å; D161-I163 VanDerWaalsContact C-N 3.35Å; D161-L164 HydrophobicContact CB-CD2 4.49Å; D161-A169 WeakPolarHBondContact O-CB 3.32Å; D161-H196 IonicContact OD1-CD2 3.17Å; D161-H196 PolarHBondContact OD1-CD2 3.34Å; D161-H196 IonicContact OD1-NE2 2.72Å; D161-H196 PolarHBondContact OD1-NE2 3.25Å; D161-H196 IonicContact OD2-CD2 3.63Å; D161-H196 IonicContact OD2-NE2 3.78Å
162	C	98.6	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-66.1	-40.7	172	-167.4	0	0	0	0	111.2	H146 S159 Y177 L184	H146-C162 PolarHBondContact NE2-N 3.13Å; S159-C162 VanDerWaalsContact O-CB 3.31Å; S159-C162 WeakPolarHBondContact O-CB 3.43Å; S159-C162 PolarHBondContact O-N 3.45Å; C162-Y177 VanDerWaalsContact O-CE2 3.32Å; C162-Y177 WeakPolarHBondContact O-CE2 3.48Å; C162-Y177 PolarHBondContact O-OH 3.08Å; C162-L184 HydrophobicContact CB-CD1 4.3Å
163	I	98.7	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-136.6	132.8	177.6	-59	171.7	0	0	0	108.1	S159 D161 L181 L184 I192 P194 M206 I207 Y210	S159-I163 PolarHBondContact OG-O 3.31Å; D161-I163 VanDerWaalsContact C-N 3.35Å; I163-L181 HydrophobicContact CD1-CD2 3.93Å; I163-L181 HydrophobicContact CG1-CD2 3.8Å; I163-L184 HydrophobicContact CD1-CD1 3.75Å; I163-L184 HydrophobicContact CG1-CD1 4.32Å; I163-I192 HydrophobicContact CB-CD1 4.43Å; I163-I192 HydrophobicContact CD1-CD1 3.83Å; I163-I192 HydrophobicContact CG2-CD1 3.96Å; I163-P194 VanDerWaalsContact O-CB 3.29Å; I163-P194 WeakPolarHBondContact O-CB 3.12Å; I163-M206 HydrophobicContact CG2-CG 3.78Å; I163-I207 HydrophobicContact CD1-CB 4.46Å; I163-I207 HydrophobicContact CD1-CD1 4.36Å; I163-I207 HydrophobicContact CD1-CG1 3.44Å; I163-I207 VanDerWaalsContact CD1-CG1 3.44Å; I163-Y210 HydrophobicContact CG1-CD1 4.46Å; I163-Y210 HydrophobicContact CG1-CE1 4.46Å; I163-Y210 HydrophobicContact CG2-CE1 4.42Å; I163-Y210 HydrophobicContact CG2-CE2 4.38Å
164	L	98.5	Very high	96.8	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.073	15%	0.151	C	C	.	.			trans	-106.4	157.8	-178.4	-54.3	-176.3	0	0	0	110	D161 E166 A169 H196 Y210	D161-L164 HydrophobicContact CB-CD2 4.49Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-A169 HydrophobicContact CD1-CB 4.46Å; L164-A169 HydrophobicContact CG-CB 4.23Å; L164-H196 HydrophobicContact CD2-CB 4.31Å; L164-Y210 PolarHBondContact N-OH 2.99Å; L164-Y210 VanDerWaalsContact N-OH 3.1Å
165	G	97.6	Very high	96.7	Very high	12 Å²	12	26.8 Å²	26.8	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	-72.3	-25.6	176.1	0	0	0	0	0	113.8	H196 P198	G165-H196 PolarHBondContact N-O 2.77Å; G165-P198 WeakPolarHBondContact CA-O 3.25Å
166	E	94.2	Very high	96.7	Very high	58 Å²	58	26.5 Å²	26.5	27%	0.271	16%	0.156	S	C	.	.	S	Bend	trans	-140.4	145.5	177.5	-78.8	174.2	-98.4	0	0	109.7	A3 L28 Q29 L164 P198	A3-E166 WeakPolarHBondContact CB-OE1 3.22Å; A3-E166 PolarHBondContact N-OE1 2.65Å; L28-E166 HydrophobicContact CD1-CB 4.12Å; Q29-E166 PolarHBondContact NE2-OE1 3.38Å; L164-E166 VanDerWaalsContact C-N 3.31Å; E166-P198 HydrophobicContact CG-CG 3.93Å; E166-P198 WeakPolarHBondContact OE1-CD 3.43Å
167	G	91.6	Very high	96.7	Very high	62 Å²	62	26.5 Å²	26.5	64%	0.639	16%	0.156	S	C	*	.	S	Bend	trans	74.8	-148.9	178.5	0	0	0	0	0	113.6	Y210	G167-Y210 PolarHBondContact O-OH 3.25Å
168	T	89.6	Confident	96.7	Very high	65 Å²	65	26.8 Å²	26.8	40%	0.399	16%	0.157	S	C	.	.			trans	-134.4	147.4	177.5	71.7	0	0	0	0	110.6	Y210 R214	T168-Y210 WeakPolarHBondContact CA-OH 3.11Å; T168-R214 PolarHBondContact OG1-NH2 3.16Å
169	A	92.1	Very high	96.7	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	18%	0.176	C	C	.	.			trans	-73.9	154.1	176.4	0	0	0	0	0	113	D161 L164 Y210 R214	D161-A169 WeakPolarHBondContact O-CB 3.32Å; L164-A169 HydrophobicContact CD1-CB 4.46Å; L164-A169 HydrophobicContact CG-CB 4.23Å; A169-Y210 HydrophobicContact CB-CE1 4.21Å; A169-R214 PolarHBondContact O-NH2 2.73Å; A169-R214 VanDerWaalsContact O-NH2 3.11Å
170	V	93.5	Very high	96.7	Very high	77 Å²	77	31.1 Å²	31.1	47%	0.467	18%	0.176	S	C	.	.			trans	-89.9	164.7	164.2	-63.1	0	0	0	0	110.2	M26 H142	M26-V170 HydrophobicContact CE-CG1 4Å; M26-V170 HydrophobicContact CE-CG2 3.72Å; H142-V170 PolarHBondContact ND1-O 3.11Å
171	F	96.1	Very high	96.7	Very high	17 Å²	17	31 Å²	31	8%	0.075	18%	0.175	C	C	.	.			trans	-156.2	148.8	-178.6	40.3	-99.2	0	0	0	112	G141 L174 Y177 H260	G141-F171 CarbonylContact O-C 3.58Å; G141-F171 WeakPolarHBondContact O-CA 3.14Å; G141-F171 WeakPolarHBondContact O-CB 3.39Å; F171-L174 HydrophobicContact CD2-CB 4.05Å; F171-L174 HydrophobicContact CD2-CD1 4.4Å; F171-L174 HydrophobicContact CE1-CD1 4.12Å; F171-L174 HydrophobicContact CE2-CB 3.72Å; F171-L174 HydrophobicContact CE2-CD1 3.78Å; F171-L174 HydrophobicContact CE2-CG 4.22Å; F171-L174 HydrophobicContact CZ-CB 4.44Å; F171-L174 HydrophobicContact CZ-CD1 3.62Å; F171-L174 HydrophobicContact CZ-CG 4.47Å; F171-Y177 HydrophobicContact CB-CD2 4.11Å; F171-Y177 HydrophobicContact CB-CG 4.12Å; F171-Y177 AromaticContact CD1-CD1 3.75Å; F171-Y177 HydrophobicContact CD1-CD1 3.75Å; F171-Y177 HydrophobicContact CD1-CD2 4.31Å; F171-Y177 AromaticContact CD1-CE1 3.83Å; F171-Y177 HydrophobicContact CD1-CE1 3.83Å; F171-Y177 HydrophobicContact CD1-CE2 4.4Å; F171-Y177 AromaticContact CD1-CG 3.99Å; F171-Y177 HydrophobicContact CD1-CG 3.99Å; F171-Y177 HydrophobicContact CE1-CD1 4.14Å; F171-Y177 HydrophobicContact CE1-CE1 4.11Å; F171-Y177 HydrophobicContact CG-CD1 4.28Å; F171-Y177 HydrophobicContact CG-CG 4.14Å; F171-H260 HydrophobicContact CD2-CB 4.28Å; F171-H260 HydrophobicContact CE2-CB 3.69Å; F171-H260 AromaticContact CE2-CD2 3.94Å; F171-H260 AromaticContact CE2-CG 3.78Å; F171-H260 PolarHBondContact O-CE1 2.99Å; F171-H260 PolarHBondContact O-NE2 3.06Å
172	E	96.1	Very high	96.7	Very high	85 Å²	85	36 Å²	36	40%	0.397	20%	0.196	S	C	.	.	S	Bend	trans	-74	-40.3	170.2	-70.6	175.5	172.6	0	0	111.2	G141 H142 T143 D144 H260	G141-E172 PolarHBondContact O-N 3.37Å; H142-E172 WeakPolarHBondContact O-CG 3.41Å; H142-E172 PolarHBondContact O-N 3.02Å; H142-E172 VanDerWaalsContact O-N 3.14Å; T143-E172 WeakPolarHBondContact CA-OE2 3.4Å; D144-E172 PolarHBondContact N-OE2 2.8Å; E172-H260 PolarHBondContact O-CE1 3.08Å; E172-H260 VanDerWaalsContact O-CE1 3.22Å; E172-H260 PolarHBondContact O-ND1 2.89Å; E172-H260 VanDerWaalsContact O-ND1 3.09Å
173	D	97.3	Very high	96.7	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.15	21%	0.213	C	C	.	.			trans	-137.1	112.6	-175.9	-166.7	-90.9	0	0	0	113.3	G141 Y175 D176 Y177 K267	G141-D173 WeakPolarHBondContact CA-O 3.48Å; G141-D173 PolarHBondContact O-N 2.91Å; D173-Y175 VanDerWaalsContact C-N 3.33Å; D173-Y175 PolarHBondContact O-N 3.31Å; D173-Y175 WeakPolarHBondContact OD1-CA 3.23Å; D173-Y175 VanDerWaalsContact OD1-CB 3.32Å; D173-Y175 WeakPolarHBondContact OD1-CB 2.98Å; D173-Y175 PolarHBondContact OD1-N 3.37Å; D173-D176 HydrophobicContact CB-CB 4.46Å; D173-D176 PolarHBondContact OD1-N 3.34Å; D173-Y177 WeakPolarHBondContact O-CB 3Å; D173-Y177 PolarHBondContact O-N 2.7Å; D173-K267 IonicContact OD1-NZ 3.31Å; D173-K267 PolarHBondContact OD1-NZ 2.86Å; D173-K267 WeakPolarHBondContact OD2-CE 3.45Å; D173-K267 IonicContact OD2-NZ 3.8Å; D173-K267 PolarHBondContact OD2-NZ 2.69Å
174	L	98	Very high	96.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-29.9	-178.4	-178.7	64.2	0	0	0	113	F171 Y177 M178 R214 H260 H261 K264	F171-L174 HydrophobicContact CD2-CB 4.05Å; F171-L174 HydrophobicContact CD2-CD1 4.4Å; F171-L174 HydrophobicContact CE1-CD1 4.12Å; F171-L174 HydrophobicContact CE2-CB 3.72Å; F171-L174 HydrophobicContact CE2-CD1 3.78Å; F171-L174 HydrophobicContact CE2-CG 4.22Å; F171-L174 HydrophobicContact CZ-CB 4.44Å; F171-L174 HydrophobicContact CZ-CD1 3.62Å; F171-L174 HydrophobicContact CZ-CG 4.47Å; L174-Y177 HydrophobicContact CD1-CD1 4.14Å; L174-M178 HydrophobicContact CD1-CG 3.77Å; L174-M178 HydrophobicContact CD1-SD 4.25Å; L174-M178 HydrophobicContact CG-CG 4.11Å; L174-M178 WeakPolarHBondContact O-CB 3.21Å; L174-M178 WeakPolarHBondContact O-CG 3.43Å; L174-M178 PolarHBondContact O-N 3.47Å; L174-R214 HydrophobicContact CD1-CB 4.31Å; L174-R214 HydrophobicContact CD1-CG 4.1Å; L174-H260 HydrophobicContact CB-CB 3.98Å; L174-H261 HydrophobicContact CD2-CB 4.36Å; L174-H261 WeakPolarHBondContact CD2-CE1 3.42Å; L174-H261 VanDerWaalsContact CD2-ND1 3.29Å; L174-H261 WeakPolarHBondContact CD2-ND1 3.31Å; L174-K264 HydrophobicContact CB-CB 4.36Å; L174-K264 HydrophobicContact CB-CD 4.4Å; L174-K264 HydrophobicContact CD2-CB 4.39Å; L174-K264 HydrophobicContact CD2-CD 3.91Å; L174-K264 HydrophobicContact CG-CD 3.79Å
175	Y	98.2	Very high	96.7	Very high	62 Å²	62	41 Å²	41	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-48.2	-178.1	174.9	-97.9	0	0	0	110.7	D173 K179 K264 K267 E268	D173-Y175 VanDerWaalsContact C-N 3.33Å; D173-Y175 PolarHBondContact O-N 3.31Å; D173-Y175 WeakPolarHBondContact OD1-CA 3.23Å; D173-Y175 VanDerWaalsContact OD1-CB 3.32Å; D173-Y175 WeakPolarHBondContact OD1-CB 2.98Å; D173-Y175 PolarHBondContact OD1-N 3.37Å; Y175-K179 HydrophobicContact CE1-CD 4.18Å; Y175-K179 PolarHBondContact O-N 3.3Å; Y175-K179 WeakPolarHBondContact OH-CE 3.38Å; Y175-K179 PolarHBondContact OH-NZ 3.41Å; Y175-K264 HydrophobicContact CD2-CG 4.14Å; Y175-K267 HydrophobicContact CD1-CD 3.98Å; Y175-K267 HydrophobicContact CD2-CB 4.48Å; Y175-K267 HydrophobicContact CG-CD 3.94Å; Y175-E268 HydrophobicContact CD2-CG 3.98Å; Y175-E268 HydrophobicContact CE2-CG 3.8Å
176	D	98.3	Very high	96.7	Very high	53 Å²	53	46.4 Å²	46.4	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-69.3	-39.6	176	-66.5	-36.1	0	0	0	111	P140 D173 M178 K179 S180 K267	P140-D176 HydrophobicContact CB-CB 4.35Å; P140-D176 HydrophobicContact CG-CB 4.22Å; P140-D176 CarbonylContact O-C 3.51Å; D173-D176 HydrophobicContact CB-CB 4.46Å; D173-D176 PolarHBondContact OD1-N 3.34Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 3.2Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.84Å; D176-S180 PolarHBondContact O-N 3.27Å; D176-S180 PolarHBondContact O-OG 3.28Å; D176-S180 VanDerWaalsContact O-OG 3.13Å; D176-K267 IonicContact OD2-NZ 3.81Å
177	Y	98.6	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-45.3	175.3	-176.1	-106.4	0	0	0	112.7	P140 C162 F171 D173 L174 K179 S180 L181 Y210	P140-Y177 PolarHBondContact O-N 3.01Å; C162-Y177 VanDerWaalsContact O-CE2 3.32Å; C162-Y177 WeakPolarHBondContact O-CE2 3.48Å; C162-Y177 PolarHBondContact O-OH 3.08Å; F171-Y177 HydrophobicContact CB-CD2 4.11Å; F171-Y177 HydrophobicContact CB-CG 4.12Å; F171-Y177 AromaticContact CD1-CD1 3.75Å; F171-Y177 HydrophobicContact CD1-CD1 3.75Å; F171-Y177 HydrophobicContact CD1-CD2 4.31Å; F171-Y177 AromaticContact CD1-CE1 3.83Å; F171-Y177 HydrophobicContact CD1-CE1 3.83Å; F171-Y177 HydrophobicContact CD1-CE2 4.4Å; F171-Y177 AromaticContact CD1-CG 3.99Å; F171-Y177 HydrophobicContact CD1-CG 3.99Å; F171-Y177 HydrophobicContact CE1-CD1 4.14Å; F171-Y177 HydrophobicContact CE1-CE1 4.11Å; F171-Y177 HydrophobicContact CG-CD1 4.28Å; F171-Y177 HydrophobicContact CG-CG 4.14Å; D173-Y177 WeakPolarHBondContact O-CB 3Å; D173-Y177 PolarHBondContact O-N 2.7Å; L174-Y177 HydrophobicContact CD1-CD1 4.14Å; Y177-K179 VanDerWaalsContact C-N 3.29Å; Y177-K179 PolarHBondContact O-N 3.31Å; Y177-S180 WeakPolarHBondContact O-CB 3.5Å; Y177-S180 PolarHBondContact O-N 3.3Å; Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CD1-CG 4.4Å; Y177-L181 HydrophobicContact CE1-CD1 3.61Å; Y177-L181 HydrophobicContact CE1-CD2 4.46Å; Y177-L181 HydrophobicContact CE1-CG 4.1Å; Y177-L181 WeakPolarHBondContact O-CG 3.44Å; Y177-L181 PolarHBondContact O-N 3.19Å; Y177-Y210 WeakPolarHBondContact OH-CD1 3.46Å; Y177-Y210 VanDerWaalsContact OH-CE1 3.25Å; Y177-Y210 WeakPolarHBondContact OH-CE1 3.1Å
178	M	98.6	Very high	97.2	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-27.5	178.1	-71.1	-64.7	-70.2	0	0	113.1	L174 D176 L181 K182 I211 R214 D215 K264	L174-M178 HydrophobicContact CD1-CG 3.77Å; L174-M178 HydrophobicContact CD1-SD 4.25Å; L174-M178 HydrophobicContact CG-CG 4.11Å; L174-M178 WeakPolarHBondContact O-CB 3.21Å; L174-M178 WeakPolarHBondContact O-CG 3.43Å; L174-M178 PolarHBondContact O-N 3.47Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 3.2Å; M178-L181 HydrophobicContact SD-CD1 4.06Å; M178-K182 WeakPolarHBondContact O-CG 3.37Å; M178-K182 PolarHBondContact O-N 3.36Å; M178-I211 HydrophobicContact CE-CB 4.31Å; M178-I211 HydrophobicContact CE-CG1 4.45Å; M178-I211 HydrophobicContact CE-CG2 3.89Å; M178-R214 HydrophobicContact CE-CB 4.21Å; M178-R214 HydrophobicContact SD-CB 3.68Å; M178-R214 HydrophobicContact SD-CG 3.97Å; M178-D215 VanDerWaalsContact CE-OD1 3.28Å; M178-D215 WeakPolarHBondContact CE-OD1 3.41Å; M178-K264 HydrophobicContact CG-CD 4.45Å
179	K	98.6	Very high	97.7	Very high	92 Å²	92	46.9 Å²	46.9	40%	0.4	23%	0.233	S	C	.	.	H	α-helix	trans	-71.5	-42.8	170.2	-71.6	178.5	176.5	178.7	0	111	Y175 D176 Y177 L181 K182 I183	Y175-K179 HydrophobicContact CE1-CD 4.18Å; Y175-K179 PolarHBondContact O-N 3.3Å; Y175-K179 WeakPolarHBondContact OH-CE 3.38Å; Y175-K179 PolarHBondContact OH-NZ 3.41Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.84Å; Y177-K179 VanDerWaalsContact C-N 3.29Å; Y177-K179 PolarHBondContact O-N 3.31Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 2.98Å; K179-K182 WeakPolarHBondContact O-CA 3.29Å; K179-K182 WeakPolarHBondContact O-CB 3.22Å; K179-K182 PolarHBondContact O-N 3.31Å; K179-I183 WeakPolarHBondContact O-CG1 3.43Å; K179-I183 PolarHBondContact O-N 3.21Å
180	S	98.8	Very high	98	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-43	176.8	-63.5	0	0	0	0	112.2	T139 P140 D176 Y177 K182 I183 L184	T139-S180 VanDerWaalsContact CA-OG 3.23Å; T139-S180 WeakPolarHBondContact CA-OG 3.35Å; P140-S180 WeakPolarHBondContact CD-OG 3.32Å; P140-S180 WeakPolarHBondContact O-CB 3.46Å; P140-S180 PolarHBondContact O-OG 3.37Å; D176-S180 PolarHBondContact O-N 3.27Å; D176-S180 PolarHBondContact O-OG 3.28Å; D176-S180 VanDerWaalsContact O-OG 3.13Å; Y177-S180 WeakPolarHBondContact O-CB 3.5Å; Y177-S180 PolarHBondContact O-N 3.3Å; S180-K182 VanDerWaalsContact C-N 3.25Å; S180-K182 PolarHBondContact O-N 2.9Å; S180-I183 WeakPolarHBondContact O-CB 3.41Å; S180-I183 PolarHBondContact O-N 3.4Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 2.91Å
181	L	98.8	Very high	98.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-35.1	173.4	-68.2	179.8	0	0	0	112.7	I163 Y177 M178 K179 L185 I207 Y210 I211	I163-L181 HydrophobicContact CD1-CD2 3.93Å; I163-L181 HydrophobicContact CG1-CD2 3.8Å; Y177-L181 HydrophobicContact CD1-CD1 4.05Å; Y177-L181 HydrophobicContact CD1-CG 4.4Å; Y177-L181 HydrophobicContact CE1-CD1 3.61Å; Y177-L181 HydrophobicContact CE1-CD2 4.46Å; Y177-L181 HydrophobicContact CE1-CG 4.1Å; Y177-L181 WeakPolarHBondContact O-CG 3.44Å; Y177-L181 PolarHBondContact O-N 3.19Å; M178-L181 HydrophobicContact SD-CD1 4.06Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 2.98Å; L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 PolarHBondContact O-N 3.27Å; L181-I207 HydrophobicContact CB-CG2 4.35Å; L181-I207 VanDerWaalsContact O-CG2 3.23Å; L181-I207 WeakPolarHBondContact O-CG2 3.41Å; L181-Y210 HydrophobicContact CD2-CD1 4.38Å; L181-I211 HydrophobicContact CB-CD1 4.11Å; L181-I211 HydrophobicContact CB-CG1 3.81Å; L181-I211 HydrophobicContact CD1-CG1 3.9Å
182	K	98.6	Very high	98.3	Very high	117 Å²	117	48.7 Å²	48.7	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-70.6	-42.4	175.2	-67.4	172.6	-175.1	179.8	0	111.8	M178 K179 S180 L184 L185 D186 I211	M178-K182 WeakPolarHBondContact O-CG 3.37Å; M178-K182 PolarHBondContact O-N 3.36Å; K179-K182 WeakPolarHBondContact O-CA 3.29Å; K179-K182 WeakPolarHBondContact O-CB 3.22Å; K179-K182 PolarHBondContact O-N 3.31Å; S180-K182 VanDerWaalsContact C-N 3.25Å; S180-K182 PolarHBondContact O-N 2.9Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.44Å; K182-L185 WeakPolarHBondContact O-CB 3.46Å; K182-L185 PolarHBondContact O-N 3.01Å; K182-L185 VanDerWaalsContact O-N 3.14Å; K182-D186 WeakPolarHBondContact O-CB 3.3Å; K182-D186 PolarHBondContact O-N 3.07Å; K182-I211 HydrophobicContact CG-CD1 4.49Å
183	I	98.7	Very high	98.5	Very high	72 Å²	72	45 Å²	45	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-55.1	-48.4	173	-66.5	168.2	0	0	0	109.8	K179 S180 L185 D186 T187	K179-I183 WeakPolarHBondContact O-CG1 3.43Å; K179-I183 PolarHBondContact O-N 3.21Å; S180-I183 WeakPolarHBondContact O-CB 3.41Å; S180-I183 PolarHBondContact O-N 3.4Å; I183-L185 PolarHBondContact O-N 3Å; I183-D186 PolarHBondContact O-N 2.83Å; I183-T187 WeakPolarHBondContact O-CG2 3.48Å; I183-T187 PolarHBondContact O-N 3.24Å
184	L	98.8	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-40.1	178	-65.8	-177.4	0	0	0	112.1	L137 T139 A148 I157 C162 I163 S180 K182 D186 T187 I207	L137-L184 HydrophobicContact CD1-CD2 4Å; T139-L184 HydrophobicContact CG2-CD2 3.85Å; T139-L184 HydrophobicContact CG2-CG 4.06Å; A148-L184 HydrophobicContact CB-CD2 3.84Å; I157-L184 HydrophobicContact CD1-CB 4.14Å; I157-L184 HydrophobicContact CD1-CD2 3.88Å; I157-L184 HydrophobicContact CG2-CD2 4.12Å; C162-L184 HydrophobicContact CB-CD1 4.3Å; I163-L184 HydrophobicContact CD1-CD1 3.75Å; I163-L184 HydrophobicContact CG1-CD1 4.32Å; S180-L184 WeakPolarHBondContact O-CG 3.36Å; S180-L184 PolarHBondContact O-N 2.91Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.44Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 2.81Å; L184-T187 WeakPolarHBondContact O-CB 3.27Å; L184-T187 PolarHBondContact O-N 3Å; L184-T187 PolarHBondContact O-OG1 2.73Å; L184-I207 HydrophobicContact CB-CD1 4.18Å
185	L	98.6	Very high	98.6	Very high	48 Å²	48	43.7 Å²	43.7	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-40.4	176.1	-171.8	60.7	0	0	0	112.1	L181 K182 I183 T187 Q188 I207 K208 I211	L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 PolarHBondContact O-N 3.27Å; K182-L185 WeakPolarHBondContact O-CB 3.46Å; K182-L185 PolarHBondContact O-N 3.01Å; K182-L185 VanDerWaalsContact O-N 3.14Å; I183-L185 PolarHBondContact O-N 3Å; L185-T187 PolarHBondContact O-N 2.67Å; L185-Q188 PolarHBondContact O-N 2.68Å; L185-Q188 VanDerWaalsContact O-N 3.1Å; L185-I207 HydrophobicContact CB-CG2 3.8Å; L185-I207 HydrophobicContact CD1-CB 4.2Å; L185-I207 HydrophobicContact CD1-CG2 4.11Å; L185-I207 HydrophobicContact CG-CG2 4.42Å; L185-K208 HydrophobicContact CD1-CG 4.18Å; L185-K208 HydrophobicContact CD2-CG 4.39Å; L185-I211 HydrophobicContact CD2-CD1 4.21Å
186	D	98.4	Very high	98.6	Very high	126 Å²	126	40.8 Å²	40.8	67%	0.674	20%	0.204	S	C	*	.	H	α-helix	trans	-69.9	-17.9	-178.2	-69.4	-19.5	0	0	0	112.6	K182 I183 L184 Q188	K182-D186 WeakPolarHBondContact O-CB 3.3Å; K182-D186 PolarHBondContact O-N 3.07Å; I183-D186 PolarHBondContact O-N 2.83Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 2.81Å; D186-Q188 PolarHBondContact O-N 2.71Å
187	T	98.3	Very high	98.6	Very high	24 Å²	24	38.2 Å²	38.2	15%	0.147	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.6	170.9	70.8	0	0	0	0	112.6	L137 Q155 I157 I183 L184 L185 A189	L137-T187 HydrophobicContact CD1-CG2 3.76Å; Q155-T187 PolarHBondContact NE2-O 3.39Å; I157-T187 HydrophobicContact CD1-CG2 4.29Å; I157-T187 VanDerWaalsContact CD1-OG1 3.27Å; I157-T187 WeakPolarHBondContact CD1-OG1 3.14Å; I183-T187 WeakPolarHBondContact O-CG2 3.48Å; I183-T187 PolarHBondContact O-N 3.24Å; L184-T187 WeakPolarHBondContact O-CB 3.27Å; L184-T187 PolarHBondContact O-N 3Å; L184-T187 PolarHBondContact O-OG1 2.73Å; L185-T187 PolarHBondContact O-N 2.67Å; T187-A189 PolarHBondContact O-N 3.23Å; T187-A189 PolarHBondContact OG1-N 3.16Å
188	Q	98.1	Very high	98.6	Very high	160 Å²	160	39.9 Å²	39.9	75%	0.748	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.8	-172.4	-54.7	-176.9	-30.2	0	0	112.4	L185 D186	L185-Q188 PolarHBondContact O-N 2.68Å; L185-Q188 VanDerWaalsContact O-N 3.1Å; D186-Q188 PolarHBondContact O-N 2.71Å
189	A	98.4	Very high	98.6	Very high	11 Å²	11	40.9 Å²	40.9	9%	0.091	21%	0.208	C	C	.	.			trans	-57.6	147.1	173.6	0	0	0	0	0	111.6	Q155 I157 T187 A203	Q155-A189 CarbonylContact O-C 3.54Å; Q155-A189 WeakPolarHBondContact O-CA 3.45Å; Q155-A189 WeakPolarHBondContact O-CB 3.46Å; I157-A189 HydrophobicContact CD1-CB 3.56Å; I157-A189 HydrophobicContact CG1-CB 3.7Å; T187-A189 PolarHBondContact O-N 3.23Å; T187-A189 PolarHBondContact OG1-N 3.16Å; A189-A203 HydrophobicContact CB-CB 4.16Å; A189-A203 WeakPolarHBondContact O-CB 3.33Å
190	D	98.3	Very high	98.6	Very high	106 Å²	106	37 Å²	37	57%	0.567	19%	0.192	S	C	*	.	S	Bend	trans	-79.6	-43.6	175.4	-69	-38.3	0	0	0	110.3	Q155 A203	Q155-D190 PolarHBondContact O-N 3.31Å; D190-A203 PolarHBondContact O-N 3.17Å; D190-A203 VanDerWaalsContact O-N 3.11Å
191	L	98.5	Very high	98.5	Very high	30 Å²	30	43.9 Å²	43.9	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	164.6	-174.7	68.2	101.9	0	0	0	112.9	A156 I157 Y193 V199 V200	A156-L191 WeakPolarHBondContact CA-O 3.28Å; A156-L191 HydrophobicContact CB-CD1 3.8Å; A156-L191 HydrophobicContact CB-CG 3.87Å; I157-L191 PolarHBondContact N-O 3.39Å; L191-Y193 HydrophobicContact CD1-CD1 4.13Å; L191-Y193 HydrophobicContact CD1-CD2 4.06Å; L191-Y193 HydrophobicContact CD1-CE1 3.65Å; L191-Y193 HydrophobicContact CD1-CE2 3.57Å; L191-Y193 HydrophobicContact CD1-CG 4.32Å; L191-V199 HydrophobicContact CD1-CG1 4.01Å; L191-V200 CarbonylContact C-O 3.52Å; L191-V200 VanDerWaalsContact CA-O 3.24Å; L191-V200 WeakPolarHBondContact CA-O 3.42Å; L191-V200 VanDerWaalsContact CB-O 3.26Å; L191-V200 WeakPolarHBondContact CB-O 3.19Å
192	I	98.9	Very high	98.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.8	179.3	-51.4	171.1	0	0	0	110.4	I157 S159 I163 P194 V200 A203 I207	I157-I192 HydrophobicContact CB-CG1 4.5Å; I157-I192 CarbonylContact O-C 3.58Å; I157-I192 WeakPolarHBondContact O-CA 3.31Å; I157-I192 WeakPolarHBondContact O-CG2 3.37Å; S159-I192 VanDerWaalsContact CB-CG2 3.48Å; S159-I192 WeakPolarHBondContact OG-CG2 3.39Å; I163-I192 HydrophobicContact CB-CD1 4.43Å; I163-I192 HydrophobicContact CD1-CD1 3.83Å; I163-I192 HydrophobicContact CG2-CD1 3.96Å; I192-P194 VanDerWaalsContact O-CD 3.3Å; I192-P194 WeakPolarHBondContact O-CD 3.42Å; I192-V200 HydrophobicContact CB-CB 3.97Å; I192-V200 HydrophobicContact CB-CG2 4.36Å; I192-V200 PolarHBondContact N-O 2.95Å; I192-V200 PolarHBondContact O-N 3.2Å; I192-A203 HydrophobicContact CD1-CB 3.86Å; I192-A203 HydrophobicContact CG1-CB 3.54Å; I192-I207 HydrophobicContact CD1-CD1 4.3Å; I192-I207 HydrophobicContact CD1-CG1 4.12Å
193	Y	98.9	Very high	98.5	Very high	8 Å²	8	42.9 Å²	42.9	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	94.3	166.4	-63.9	-57.1	0	0	0	109.2	L11 V15 Y34 E154 A156 I157 F158 S159 L191 V199	L11-Y193 HydrophobicContact CB-CE1 4Å; L11-Y193 HydrophobicContact CD1-CD1 3.79Å; L11-Y193 HydrophobicContact CD1-CE1 3.73Å; V15-Y193 HydrophobicContact CB-CE2 4.35Å; V15-Y193 HydrophobicContact CG1-CD2 4.49Å; V15-Y193 HydrophobicContact CG1-CE1 4.36Å; V15-Y193 HydrophobicContact CG1-CE2 4.29Å; V15-Y193 HydrophobicContact CG2-CD2 4.49Å; V15-Y193 HydrophobicContact CG2-CE2 3.82Å; Y34-Y193 HydrophobicContact CE1-CD1 4.2Å; Y34-Y193 HydrophobicContact CE1-CG 4.27Å; E154-Y193 PolarHBondContact OE2-OH 2.85Å; A156-Y193 HydrophobicContact CB-CD2 4.08Å; A156-Y193 HydrophobicContact CB-CE2 3.72Å; I157-Y193 PolarHBondContact O-N 3.42Å; F158-Y193 VanDerWaalsContact CA-O 3.29Å; F158-Y193 WeakPolarHBondContact CA-O 3.41Å; F158-Y193 VanDerWaalsContact CD1-CB 3.45Å; F158-Y193 HydrophobicContact CD1-CD2 4.02Å; F158-Y193 HydrophobicContact CD1-CG 4.1Å; F158-Y193 AromaticContact CE1-CD2 3.54Å; F158-Y193 HydrophobicContact CE1-CD2 3.54Å; F158-Y193 HydrophobicContact CE1-CE2 4.42Å; F158-Y193 AromaticContact CE1-CG 3.81Å; F158-Y193 HydrophobicContact CE1-CG 3.81Å; F158-Y193 HydrophobicContact CE2-CD2 4.31Å; F158-Y193 AromaticContact CZ-CD2 3.71Å; F158-Y193 HydrophobicContact CZ-CD2 3.71Å; F158-Y193 HydrophobicContact CZ-CE2 4.27Å; F158-Y193 HydrophobicContact CZ-CG 4.43Å; S159-Y193 PolarHBondContact N-O 3.06Å; S159-Y193 VanDerWaalsContact N-O 3.15Å; L191-Y193 HydrophobicContact CD1-CD1 4.13Å; L191-Y193 HydrophobicContact CD1-CD2 4.06Å; L191-Y193 HydrophobicContact CD1-CE1 3.65Å; L191-Y193 HydrophobicContact CD1-CE2 3.57Å; L191-Y193 HydrophobicContact CD1-CG 4.32Å; Y193-V199 HydrophobicContact CD1-CG1 4.11Å; Y193-V199 HydrophobicContact CD1-CG2 3.91Å; Y193-V199 HydrophobicContact CE1-CG1 4.01Å; Y193-V199 HydrophobicContact CE1-CG2 4.02Å
194	P	98.9	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	158.5	-172.2	33.7	-37.2	0	0	0	113.4	N32 Y34 S159 I163 I192 H196 P198	N32-P194 WeakPolarHBondContact CB-O 3.24Å; N32-P194 PolarHBondContact ND2-O 3.1Å; Y34-P194 PolarHBondContact OH-O 2.75Å; S159-P194 WeakPolarHBondContact OG-CA 3.15Å; I163-P194 VanDerWaalsContact O-CB 3.29Å; I163-P194 WeakPolarHBondContact O-CB 3.12Å; I192-P194 VanDerWaalsContact O-CD 3.3Å; I192-P194 WeakPolarHBondContact O-CD 3.42Å; P194-H196 WeakPolarHBondContact CB-O 3.44Å; P194-H196 VanDerWaalsContact CG-O 3.28Å; P194-H196 WeakPolarHBondContact CG-O 3.39Å; P194-H196 PolarHBondContact O-N 2.63Å; P194-P198 VanDerWaalsContact CG-O 3.26Å; P194-P198 WeakPolarHBondContact CG-O 3.36Å
195	G	98.8	Very high	98.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-57.9	-33.3	171.5	0	0	0	0	0	112.8	N32 G160	N32-G195 WeakPolarHBondContact CB-O 3.26Å; N32-G195 PolarHBondContact N-O 3.13Å; G160-G195 WeakPolarHBondContact O-CA 3.22Å; G160-G195 PolarHBondContact O-N 3.4Å
196	H	98.7	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-138.4	150.1	175.8	-53.4	-70.2	0	0	0	112.5	T27 L28 G30 D81 H82 D161 L164 G165 P194	T27-H196 WeakPolarHBondContact CA-ND1 3.45Å; T27-H196 PolarHBondContact O-ND1 3.38Å; T27-H196 VanDerWaalsContact O-ND1 3.12Å; L28-H196 HydrophobicContact CB-CB 4.38Å; L28-H196 HydrophobicContact CD1-CB 3.95Å; L28-H196 HydrophobicContact CG-CB 4.15Å; G30-H196 PolarHBondContact O-ND1 3.49Å; D81-H196 IonicContact OD2-CE1 3.65Å; D81-H196 PolarHBondContact OD2-CE1 2.88Å; D81-H196 VanDerWaalsContact OD2-CE1 3.27Å; D81-H196 IonicContact OD2-NE2 2.66Å; D81-H196 PolarHBondContact OD2-NE2 3.33Å; H82-H196 AromaticContact CE1-NE2 3.88Å; H82-H196 AromaticContact NE2-CE1 3.92Å; H82-H196 AromaticContact NE2-NE2 3.34Å; H82-H196 PolarHBondContact NE2-NE2 2.91Å; D161-H196 IonicContact OD1-CD2 3.17Å; D161-H196 PolarHBondContact OD1-CD2 3.34Å; D161-H196 IonicContact OD1-NE2 2.72Å; D161-H196 PolarHBondContact OD1-NE2 3.25Å; D161-H196 IonicContact OD2-CD2 3.63Å; D161-H196 IonicContact OD2-NE2 3.78Å; L164-H196 HydrophobicContact CD2-CB 4.31Å; G165-H196 PolarHBondContact N-O 2.77Å; P194-H196 WeakPolarHBondContact CB-O 3.44Å; P194-H196 VanDerWaalsContact CG-O 3.28Å; P194-H196 WeakPolarHBondContact CG-O 3.39Å; P194-H196 PolarHBondContact O-N 2.63Å
197	G	98.3	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	85.4	-174.5	177.6	0	0	0	0	0	114.5	I5 R17 N32	I5-G197 VanDerWaalsContact CD1-C 3.42Å; I5-G197 WeakPolarHBondContact CD1-O 3.06Å; R17-G197 PolarHBondContact NH1-O 3.45Å; N32-G197 PolarHBondContact ND2-O 3.48Å
198	P	98.3	Very high	98.5	Very high	35 Å²	35	41.3 Å²	41.3	23%	0.227	22%	0.22	C	C	.	.	S	Bend	trans	-72.5	163.4	-177.1	29.9	-36.7	0	0	0	112.6	A3 G165 E166 P194 V200	A3-P198 HydrophobicContact CB-CB 4.38Å; A3-P198 HydrophobicContact CB-CG 4.25Å; G165-P198 WeakPolarHBondContact CA-O 3.25Å; E166-P198 HydrophobicContact CG-CG 3.93Å; E166-P198 WeakPolarHBondContact OE1-CD 3.43Å; P194-P198 VanDerWaalsContact CG-O 3.26Å; P194-P198 WeakPolarHBondContact CG-O 3.36Å; P198-V200 PolarHBondContact O-N 3.37Å
199	V	98.6	Very high	98.5	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	21%	0.208	C	C	.	.			trans	-59.4	134.7	171.3	-178.8	0	0	0	0	109.9	L11 L191 Y193	L11-V199 HydrophobicContact CD1-CG2 3.82Å; L11-V199 HydrophobicContact CD2-CG2 4.08Å; L191-V199 HydrophobicContact CD1-CG1 4.01Å; Y193-V199 HydrophobicContact CD1-CG1 4.11Å; Y193-V199 HydrophobicContact CD1-CG2 3.91Å; Y193-V199 HydrophobicContact CE1-CG1 4.01Å; Y193-V199 HydrophobicContact CE1-CG2 4.02Å
200	V	98.6	Very high	98.5	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-92.8	112.4	174.4	-179	0	0	0	0	108.6	L191 I192 P198 M206	L191-V200 CarbonylContact C-O 3.52Å; L191-V200 VanDerWaalsContact CA-O 3.24Å; L191-V200 WeakPolarHBondContact CA-O 3.42Å; L191-V200 VanDerWaalsContact CB-O 3.26Å; L191-V200 WeakPolarHBondContact CB-O 3.19Å; I192-V200 HydrophobicContact CB-CB 3.97Å; I192-V200 HydrophobicContact CB-CG2 4.36Å; I192-V200 PolarHBondContact N-O 2.95Å; I192-V200 PolarHBondContact O-N 3.2Å; P198-V200 PolarHBondContact O-N 3.37Å; V200-M206 HydrophobicContact CG1-CB 3.52Å; V200-M206 HydrophobicContact CG1-CE 3.94Å; V200-M206 HydrophobicContact CG1-CG 3.87Å; V200-M206 HydrophobicContact CG2-CE 4.06Å; V200-M206 HydrophobicContact CG2-CG 4.44Å
201	Q	97.9	Very high	98.5	Very high	144 Å²	144	34.3 Å²	34.3	67%	0.673	18%	0.182	S	C	*	.	S	Bend	trans	-80.4	-17.8	-174.3	-60.7	-65.2	-23.1	0	0	114.4
202	D	98.3	Very high	98.4	Very high	97 Å²	97	36 Å²	36	52%	0.519	19%	0.194	S	C	.	.			trans	-126.3	87.3	175.7	-174.5	-21.8	0	0	0	108.4	G204 A205 M206	D202-G204 VanDerWaalsContact C-N 3.33Å; D202-G204 PolarHBondContact O-N 3.41Å; D202-G204 PolarHBondContact OD1-N 3.44Å; D202-A205 HydrophobicContact CB-CB 4.11Å; D202-A205 VanDerWaalsContact OD1-CB 3.28Å; D202-A205 WeakPolarHBondContact OD1-CB 3.4Å; D202-A205 PolarHBondContact OD1-N 2.98Å; D202-A205 WeakPolarHBondContact OD2-CB 3.18Å; D202-M206 PolarHBondContact O-N 3.15Å; D202-M206 VanDerWaalsContact O-N 3.11Å
203	A	98.4	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-45.4	-178	0	0	0	0	0	111.3	A189 D190 I192 A205 M206 I207	A189-A203 HydrophobicContact CB-CB 4.16Å; A189-A203 WeakPolarHBondContact O-CB 3.33Å; D190-A203 PolarHBondContact O-N 3.17Å; D190-A203 VanDerWaalsContact O-N 3.11Å; I192-A203 HydrophobicContact CD1-CB 3.86Å; I192-A203 HydrophobicContact CG1-CB 3.54Å; A203-A205 PolarHBondContact O-N 3.19Å; A203-M206 PolarHBondContact O-N 3.38Å; A203-I207 HydrophobicContact CB-CD1 4.4Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.38Å; A203-I207 WeakPolarHBondContact O-CG1 3.46Å; A203-I207 PolarHBondContact O-N 3.47Å
204	G	98.4	Very high	98.1	Very high	19 Å²	19	39.5 Å²	39.5	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-44.4	-177.8	0	0	0	0	0	112.7	D202 K208	D202-G204 VanDerWaalsContact C-N 3.33Å; D202-G204 PolarHBondContact O-N 3.41Å; D202-G204 PolarHBondContact OD1-N 3.44Å; G204-K208 WeakPolarHBondContact O-CB 3.47Å; G204-K208 WeakPolarHBondContact O-CD 3.36Å; G204-K208 WeakPolarHBondContact O-CG 3.39Å; G204-K208 PolarHBondContact O-N 3.25Å; G204-K208 VanDerWaalsContact O-N 3.13Å
205	A	98.4	Very high	98	Very high	49 Å²	49	42.5 Å²	42.5	41%	0.405	23%	0.226	S	C	.	.	H	α-helix	trans	-66.2	-42.5	176	0	0	0	0	0	112	D202 A203 K208 H209	D202-A205 HydrophobicContact CB-CB 4.11Å; D202-A205 VanDerWaalsContact OD1-CB 3.28Å; D202-A205 WeakPolarHBondContact OD1-CB 3.4Å; D202-A205 PolarHBondContact OD1-N 2.98Å; D202-A205 WeakPolarHBondContact OD2-CB 3.18Å; A203-A205 PolarHBondContact O-N 3.19Å; A205-K208 PolarHBondContact O-N 2.93Å; A205-H209 WeakPolarHBondContact O-CB 3.36Å; A205-H209 PolarHBondContact O-N 3.08Å
206	M	98.4	Very high	97.9	Very high	46 Å²	46	47.8 Å²	47.8	23%	0.227	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-46.4	179.6	-176	61.8	80.8	0	0	112.2	I163 V200 D202 A203 K208 H209 Y210	I163-M206 HydrophobicContact CG2-CG 3.78Å; V200-M206 HydrophobicContact CG1-CB 3.52Å; V200-M206 HydrophobicContact CG1-CE 3.94Å; V200-M206 HydrophobicContact CG1-CG 3.87Å; V200-M206 HydrophobicContact CG2-CE 4.06Å; V200-M206 HydrophobicContact CG2-CG 4.44Å; D202-M206 PolarHBondContact O-N 3.15Å; D202-M206 VanDerWaalsContact O-N 3.11Å; A203-M206 PolarHBondContact O-N 3.38Å; M206-K208 VanDerWaalsContact C-N 3.34Å; M206-K208 PolarHBondContact O-N 2.99Å; M206-H209 WeakPolarHBondContact O-CB 3.33Å; M206-H209 PolarHBondContact O-N 3.07Å; M206-H209 VanDerWaalsContact O-N 3.16Å; M206-Y210 HydrophobicContact CG-CD2 4.3Å; M206-Y210 HydrophobicContact CG-CE2 4.27Å; M206-Y210 PolarHBondContact O-N 2.69Å; M206-Y210 HydrophobicContact SD-CD2 3.92Å; M206-Y210 HydrophobicContact SD-CE2 3.69Å
207	I	98.6	Very high	97.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-45	178.4	-63.2	158.7	0	0	0	110.2	I163 L181 L184 L185 I192 A203 H209 Y210 I211	I163-I207 HydrophobicContact CD1-CB 4.46Å; I163-I207 HydrophobicContact CD1-CD1 4.36Å; I163-I207 HydrophobicContact CD1-CG1 3.44Å; I163-I207 VanDerWaalsContact CD1-CG1 3.44Å; L181-I207 HydrophobicContact CB-CG2 4.35Å; L181-I207 VanDerWaalsContact O-CG2 3.23Å; L181-I207 WeakPolarHBondContact O-CG2 3.41Å; L184-I207 HydrophobicContact CB-CD1 4.18Å; L185-I207 HydrophobicContact CB-CG2 3.8Å; L185-I207 HydrophobicContact CD1-CB 4.2Å; L185-I207 HydrophobicContact CD1-CG2 4.11Å; L185-I207 HydrophobicContact CG-CG2 4.42Å; I192-I207 HydrophobicContact CD1-CD1 4.3Å; I192-I207 HydrophobicContact CD1-CG1 4.12Å; A203-I207 HydrophobicContact CB-CD1 4.4Å; A203-I207 WeakPolarHBondContact O-CB 3.45Å; A203-I207 WeakPolarHBondContact O-CD1 3.38Å; A203-I207 WeakPolarHBondContact O-CG1 3.46Å; A203-I207 PolarHBondContact O-N 3.47Å; I207-H209 VanDerWaalsContact C-N 3.31Å; I207-H209 PolarHBondContact O-N 3.27Å; I207-Y210 WeakPolarHBondContact O-CB 3.49Å; I207-Y210 PolarHBondContact O-N 3.19Å; I207-I211 HydrophobicContact CG2-CD1 3.93Å; I207-I211 WeakPolarHBondContact O-CG1 3.31Å; I207-I211 PolarHBondContact O-N 2.76Å
208	K	98.5	Very high	97.7	Very high	120 Å²	120	50.6 Å²	50.6	52%	0.522	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-37.2	175.6	-73.5	170.5	-172.6	169	0	112.3	L185 G204 A205 M206 I211 T212	L185-K208 HydrophobicContact CD1-CG 4.18Å; L185-K208 HydrophobicContact CD2-CG 4.39Å; G204-K208 WeakPolarHBondContact O-CB 3.47Å; G204-K208 WeakPolarHBondContact O-CD 3.36Å; G204-K208 WeakPolarHBondContact O-CG 3.39Å; G204-K208 PolarHBondContact O-N 3.25Å; G204-K208 VanDerWaalsContact O-N 3.13Å; A205-K208 PolarHBondContact O-N 2.93Å; M206-K208 VanDerWaalsContact C-N 3.34Å; M206-K208 PolarHBondContact O-N 2.99Å; K208-I211 PolarHBondContact O-N 2.83Å; K208-T212 VanDerWaalsContact O-CB 3.23Å; K208-T212 WeakPolarHBondContact O-CB 3.35Å; K208-T212 PolarHBondContact O-N 3.11Å; K208-T212 PolarHBondContact O-OG1 2.72Å
209	H	97.9	Very high	97.6	Very high	108 Å²	108	54.4 Å²	54.4	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-48.8	175	176.7	73.3	0	0	0	111	A205 M206 I207 I211 T212 H213	A205-H209 WeakPolarHBondContact O-CB 3.36Å; A205-H209 PolarHBondContact O-N 3.08Å; M206-H209 WeakPolarHBondContact O-CB 3.33Å; M206-H209 PolarHBondContact O-N 3.07Å; M206-H209 VanDerWaalsContact O-N 3.16Å; I207-H209 VanDerWaalsContact C-N 3.31Å; I207-H209 PolarHBondContact O-N 3.27Å; H209-I211 PolarHBondContact O-N 3.47Å; H209-T212 PolarHBondContact O-N 2.64Å; H209-H213 VanDerWaalsContact O-CB 3.25Å; H209-H213 WeakPolarHBondContact O-CB 3.35Å; H209-H213 PolarHBondContact O-N 3.14Å
210	Y	98.2	Very high	97.5	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-49.7	175.9	-91.9	-127.8	0	0	0	111.9	I163 L164 G167 T168 A169 Y177 L181 M206 I207 H213 R214	I163-Y210 HydrophobicContact CG1-CD1 4.46Å; I163-Y210 HydrophobicContact CG1-CE1 4.46Å; I163-Y210 HydrophobicContact CG2-CE1 4.42Å; I163-Y210 HydrophobicContact CG2-CE2 4.38Å; L164-Y210 PolarHBondContact N-OH 2.99Å; L164-Y210 VanDerWaalsContact N-OH 3.1Å; G167-Y210 PolarHBondContact O-OH 3.25Å; T168-Y210 WeakPolarHBondContact CA-OH 3.11Å; A169-Y210 HydrophobicContact CB-CE1 4.21Å; Y177-Y210 WeakPolarHBondContact OH-CD1 3.46Å; Y177-Y210 VanDerWaalsContact OH-CE1 3.25Å; Y177-Y210 WeakPolarHBondContact OH-CE1 3.1Å; L181-Y210 HydrophobicContact CD2-CD1 4.38Å; M206-Y210 HydrophobicContact CG-CD2 4.3Å; M206-Y210 HydrophobicContact CG-CE2 4.27Å; M206-Y210 PolarHBondContact O-N 2.69Å; M206-Y210 HydrophobicContact SD-CD2 3.92Å; M206-Y210 HydrophobicContact SD-CE2 3.69Å; I207-Y210 WeakPolarHBondContact O-CB 3.49Å; I207-Y210 PolarHBondContact O-N 3.19Å; Y210-H213 PolarHBondContact O-N 3.28Å; Y210-R214 WeakPolarHBondContact O-CG 3.41Å; Y210-R214 PolarHBondContact O-N 3.18Å
211	I	98.3	Very high	97.3	Very high	20 Å²	20	56.9 Å²	56.9	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-53.2	177.4	-69.1	169.3	0	0	0	110.4	M178 L181 K182 L185 I207 K208 H209 H213 R214 D215	M178-I211 HydrophobicContact CE-CB 4.31Å; M178-I211 HydrophobicContact CE-CG1 4.45Å; M178-I211 HydrophobicContact CE-CG2 3.89Å; L181-I211 HydrophobicContact CB-CD1 4.11Å; L181-I211 HydrophobicContact CB-CG1 3.81Å; L181-I211 HydrophobicContact CD1-CG1 3.9Å; K182-I211 HydrophobicContact CG-CD1 4.49Å; L185-I211 HydrophobicContact CD2-CD1 4.21Å; I207-I211 HydrophobicContact CG2-CD1 3.93Å; I207-I211 WeakPolarHBondContact O-CG1 3.31Å; I207-I211 PolarHBondContact O-N 2.76Å; K208-I211 PolarHBondContact O-N 2.83Å; H209-I211 PolarHBondContact O-N 3.47Å; I211-H213 VanDerWaalsContact C-N 3.29Å; I211-H213 PolarHBondContact O-N 2.9Å; I211-R214 PolarHBondContact O-N 3.19Å; I211-R214 VanDerWaalsContact O-N 3.17Å; I211-D215 WeakPolarHBondContact CG2-OD2 3.33Å; I211-D215 PolarHBondContact O-N 3.06Å
212	T	97.9	Very high	97.2	Very high	67 Å²	67	50.5 Å²	50.5	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-42	-177.3	-59.8	0	0	0	0	111.4	K208 H209 R214 D215 Q216	K208-T212 VanDerWaalsContact O-CB 3.23Å; K208-T212 WeakPolarHBondContact O-CB 3.35Å; K208-T212 PolarHBondContact O-N 3.11Å; K208-T212 PolarHBondContact O-OG1 2.72Å; H209-T212 PolarHBondContact O-N 2.64Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 2.96Å; T212-D215 PolarHBondContact O-N 2.83Å; T212-Q216 HydrophobicContact CG2-CG 4.26Å; T212-Q216 WeakPolarHBondContact O-CB 3.4Å; T212-Q216 VanDerWaalsContact O-CG 3.22Å; T212-Q216 WeakPolarHBondContact O-CG 3.32Å; T212-Q216 PolarHBondContact O-N 3.29Å
213	H	94.8	Very high	97.1	Very high	67 Å²	67	52 Å²	52	31%	0.31	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-41.4	179.8	176.1	63.6	0	0	0	112	H209 Y210 I211 R217	H209-H213 VanDerWaalsContact O-CB 3.25Å; H209-H213 WeakPolarHBondContact O-CB 3.35Å; H209-H213 PolarHBondContact O-N 3.14Å; Y210-H213 PolarHBondContact O-N 3.28Å; I211-H213 VanDerWaalsContact C-N 3.29Å; I211-H213 PolarHBondContact O-N 2.9Å; H213-R217 PolarHBondContact O-N 3.37Å
214	R	96.1	Very high	96.9	Very high	14 Å²	14	52.7 Å²	52.7	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-73.9	-42.1	176.7	-56.6	-50.6	179.4	-155.4	2.3	111.8	T168 A169 L174 M178 Y210 I211 T212 Q216 R217 E218 H261	T168-R214 PolarHBondContact OG1-NH2 3.16Å; A169-R214 PolarHBondContact O-NH2 2.73Å; A169-R214 VanDerWaalsContact O-NH2 3.11Å; L174-R214 HydrophobicContact CD1-CB 4.31Å; L174-R214 HydrophobicContact CD1-CG 4.1Å; M178-R214 HydrophobicContact CE-CB 4.21Å; M178-R214 HydrophobicContact SD-CB 3.68Å; M178-R214 HydrophobicContact SD-CG 3.97Å; Y210-R214 WeakPolarHBondContact O-CG 3.41Å; Y210-R214 PolarHBondContact O-N 3.18Å; I211-R214 PolarHBondContact O-N 3.19Å; I211-R214 VanDerWaalsContact O-N 3.17Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 2.96Å; R214-Q216 VanDerWaalsContact C-N 3.32Å; R214-Q216 PolarHBondContact O-N 2.81Å; R214-R217 PolarHBondContact O-N 3.15Å; R214-R217 VanDerWaalsContact O-N 3.15Å; R214-E218 PolarHBondContact O-N 2.92Å; R214-H261 PolarHBondContact O-CE1 2.82Å
215	D	97.3	Very high	96.6	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-42.2	177.7	-75.9	-16.8	0	0	0	111.6	M178 I211 T212 R217 E218 Q219	M178-D215 VanDerWaalsContact CE-OD1 3.28Å; M178-D215 WeakPolarHBondContact CE-OD1 3.41Å; I211-D215 WeakPolarHBondContact CG2-OD2 3.33Å; I211-D215 PolarHBondContact O-N 3.06Å; T212-D215 PolarHBondContact O-N 2.83Å; D215-R217 VanDerWaalsContact C-N 3.31Å; D215-R217 PolarHBondContact O-N 2.91Å; D215-E218 PolarHBondContact O-N 3.33Å; D215-Q219 WeakPolarHBondContact O-CG 3.44Å; D215-Q219 PolarHBondContact O-N 3.02Å
216	Q	95.9	Very high	96.3	Very high	112 Å²	112	53.6 Å²	53.6	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-57.8	-43.4	175.6	-76.9	174.4	-2.2	0	0	112.2	T212 R214 Q219 Q220	T212-Q216 HydrophobicContact CG2-CG 4.26Å; T212-Q216 WeakPolarHBondContact O-CB 3.4Å; T212-Q216 VanDerWaalsContact O-CG 3.22Å; T212-Q216 WeakPolarHBondContact O-CG 3.32Å; T212-Q216 PolarHBondContact O-N 3.29Å; R214-Q216 VanDerWaalsContact C-N 3.32Å; R214-Q216 PolarHBondContact O-N 2.81Å; Q216-Q219 PolarHBondContact O-N 3.38Å; Q216-Q220 WeakPolarHBondContact O-CG 3.39Å; Q216-Q220 PolarHBondContact O-N 2.92Å
217	R	95.2	Very high	96.1	Very high	52 Å²	52	57 Å²	57	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-41.3	177.1	-176.4	59.9	66.6	-178.1	12.1	111.6	H213 R214 D215 Q219 Q220 I221 V242 Y243 H261	H213-R217 PolarHBondContact O-N 3.37Å; R214-R217 PolarHBondContact O-N 3.15Å; R214-R217 VanDerWaalsContact O-N 3.15Å; D215-R217 VanDerWaalsContact C-N 3.31Å; D215-R217 PolarHBondContact O-N 2.91Å; R217-Q219 VanDerWaalsContact C-N 3.34Å; R217-Q219 PolarHBondContact O-N 3.26Å; R217-Q220 PolarHBondContact O-N 2.99Å; R217-I221 HydrophobicContact CG-CD1 4.07Å; R217-I221 WeakPolarHBondContact O-CG1 3.32Å; R217-I221 PolarHBondContact O-N 3.39Å; R217-I221 VanDerWaalsContact O-N 3.08Å; R217-V242 PolarHBondContact NH1-O 3.21Å; R217-Y243 VanDerWaalsContact CZ-CE1 3.45Å; R217-H261 WeakPolarHBondContact CG-NE2 3.31Å
218	E	96.9	Very high	95.5	Very high	7 Å²	7	57.8 Å²	57.8	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-45	175.8	-178.6	167.2	119.2	0	0	111.7	R214 D215 Q220 I221 L222 K264 L265 K270	R214-E218 PolarHBondContact O-N 2.92Å; D215-E218 PolarHBondContact O-N 3.33Å; E218-Q220 VanDerWaalsContact C-N 3.33Å; E218-Q220 PolarHBondContact O-N 3.2Å; E218-I221 PolarHBondContact O-N 2.72Å; E218-L222 HydrophobicContact CG-CD1 4.14Å; E218-L222 HydrophobicContact CG-CG 4.49Å; E218-L222 PolarHBondContact O-N 2.93Å; E218-K264 VanDerWaalsContact CD-NZ 3.3Å; E218-K264 IonicContact OE1-NZ 3.77Å; E218-K264 PolarHBondContact OE1-NZ 3.11Å; E218-K264 VanDerWaalsContact OE1-NZ 3.16Å; E218-K264 WeakPolarHBondContact OE2-CD 3.36Å; E218-K264 WeakPolarHBondContact OE2-CE 3.13Å; E218-K264 IonicContact OE2-NZ 2.86Å; E218-K264 PolarHBondContact OE2-NZ 3.33Å; E218-L265 HydrophobicContact CG-CD1 4.4Å; E218-L265 HydrophobicContact CG-CD2 3.68Å; E218-L265 HydrophobicContact CG-CG 4.21Å; E218-K270 IonicContact OE1-NZ 3.83Å; E218-K270 PolarHBondContact OE1-NZ 3.2Å
219	Q	96.7	Very high	94.9	Very high	115 Å²	115	56.8 Å²	56.8	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-38.4	178	-67.4	-53.2	-43.2	0	0	112.5	D215 Q216 R217 K223	D215-Q219 WeakPolarHBondContact O-CG 3.44Å; D215-Q219 PolarHBondContact O-N 3.02Å; Q216-Q219 PolarHBondContact O-N 3.38Å; R217-Q219 VanDerWaalsContact C-N 3.34Å; R217-Q219 PolarHBondContact O-N 3.26Å; Q219-K223 WeakPolarHBondContact O-CB 3.29Å; Q219-K223 PolarHBondContact O-N 3.19Å
220	Q	96.1	Very high	94.2	Very high	91 Å²	91	53.5 Å²	53.5	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-40.9	175	-70	170.9	-5.1	0	0	112.1	Q216 R217 E218 A224 V242	Q216-Q220 WeakPolarHBondContact O-CG 3.39Å; Q216-Q220 PolarHBondContact O-N 2.92Å; R217-Q220 PolarHBondContact O-N 2.99Å; E218-Q220 VanDerWaalsContact C-N 3.33Å; E218-Q220 PolarHBondContact O-N 3.2Å; Q220-A224 WeakPolarHBondContact O-CB 3.25Å; Q220-A224 PolarHBondContact O-N 3.35Å; Q220-V242 HydrophobicContact CB-CG1 4.03Å
221	I	96	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-48.5	178.2	-66.9	166.6	0	0	0	110.4	R217 E218 K223 A224 V225 V242 L258 H261 L262 L265	R217-I221 HydrophobicContact CG-CD1 4.07Å; R217-I221 WeakPolarHBondContact O-CG1 3.32Å; R217-I221 PolarHBondContact O-N 3.39Å; R217-I221 VanDerWaalsContact O-N 3.08Å; E218-I221 PolarHBondContact O-N 2.72Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 3.42Å; I221-A224 PolarHBondContact O-N 3.01Å; I221-A224 VanDerWaalsContact O-N 3.13Å; I221-V225 HydrophobicContact CG2-CG2 4.46Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.38Å; I221-V242 HydrophobicContact CG1-CG1 4.04Å; I221-V242 HydrophobicContact CG1-CG2 4.05Å; I221-L258 HydrophobicContact CD1-CD1 3.98Å; I221-L258 HydrophobicContact CD1-CG 4.05Å; I221-L258 HydrophobicContact CG1-CD1 4.02Å; I221-H261 HydrophobicContact CD1-CB 3.35Å; I221-L262 HydrophobicContact CG2-CD2 4.02Å; I221-L265 HydrophobicContact CG2-CD1 4Å
222	L	94.9	Very high	93.6	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-47.9	177.1	-82.6	173.4	0	0	0	111.5	E218 A224 V225 Q226 L265 K270 L287	E218-L222 HydrophobicContact CG-CD1 4.14Å; E218-L222 HydrophobicContact CG-CG 4.49Å; E218-L222 PolarHBondContact O-N 2.93Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.24Å; L222-V225 PolarHBondContact O-N 3.42Å; L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.31Å; L222-Q226 WeakPolarHBondContact O-CG 3.48Å; L222-Q226 PolarHBondContact O-N 2.88Å; L222-L265 HydrophobicContact CD1-CD2 3.88Å; L222-L265 HydrophobicContact CD2-CD1 3.92Å; L222-L265 HydrophobicContact CD2-CD2 3.73Å; L222-L265 HydrophobicContact CD2-CG 4.42Å; L222-L265 HydrophobicContact CG-CD1 3.95Å; L222-L265 HydrophobicContact CG-CD2 3.8Å; L222-K270 HydrophobicContact CD1-CD 4.32Å; L222-K270 HydrophobicContact CD2-CB 4.25Å; L222-K270 HydrophobicContact CD2-CD 4.4Å; L222-L287 HydrophobicContact CD2-CD1 4.19Å
223	K	95.1	Very high	93.5	Very high	128 Å²	128	57.2 Å²	57.2	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-57.5	-46.7	176.2	-177.5	174.1	-179.3	176.4	0	111.9	Q219 I221 V225 Q226 D227	Q219-K223 WeakPolarHBondContact O-CB 3.29Å; Q219-K223 PolarHBondContact O-N 3.19Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 3.42Å; K223-V225 VanDerWaalsContact C-N 3.32Å; K223-V225 PolarHBondContact O-N 2.92Å; K223-Q226 PolarHBondContact O-N 3.42Å; K223-D227 WeakPolarHBondContact O-CB 3.38Å; K223-D227 VanDerWaalsContact O-CG 3.23Å; K223-D227 PolarHBondContact O-N 3.3Å
224	A	94.7	Very high	93.5	Very high	15 Å²	15	55 Å²	55	12%	0.124	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-38.5	179.6	0	0	0	0	0	112.9	Q220 I221 L222 L238 L241 V242	Q220-A224 WeakPolarHBondContact O-CB 3.25Å; Q220-A224 PolarHBondContact O-N 3.35Å; I221-A224 PolarHBondContact O-N 3.01Å; I221-A224 VanDerWaalsContact O-N 3.13Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.24Å; A224-L238 HydrophobicContact CB-CD2 4.06Å; A224-L241 HydrophobicContact CB-CB 4.43Å; A224-V242 HydrophobicContact CB-CG2 3.91Å
225	V	93.2	Very high	93.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-72.9	-38.5	178	-177.1	0	0	0	0	111.2	I221 L222 K223 G228 L238 I271 S285	I221-V225 HydrophobicContact CG2-CG2 4.46Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.38Å; L222-V225 PolarHBondContact O-N 3.42Å; K223-V225 VanDerWaalsContact C-N 3.32Å; K223-V225 PolarHBondContact O-N 2.92Å; V225-G228 PolarHBondContact O-N 3.06Å; V225-L238 HydrophobicContact CG2-CD1 3.87Å; V225-L238 HydrophobicContact CG2-CD2 3.71Å; V225-L238 HydrophobicContact CG2-CG 4.47Å; V225-I271 HydrophobicContact CG1-CG2 4.43Å; V225-S285 VanDerWaalsContact CG1-N 3.26Å
226	Q	92.4	Very high	93.2	Very high	87 Å²	87	55 Å²	55	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-44	177.4	-74.4	174.4	-30	0	0	112.6	L222 K223 G228 A229	L222-Q226 WeakPolarHBondContact O-CB 3.47Å; L222-Q226 VanDerWaalsContact O-CG 3.31Å; L222-Q226 WeakPolarHBondContact O-CG 3.48Å; L222-Q226 PolarHBondContact O-N 2.88Å; K223-Q226 PolarHBondContact O-N 3.42Å; Q226-G228 PolarHBondContact O-N 3.38Å; Q226-G228 VanDerWaalsContact O-N 3.08Å; Q226-A229 PolarHBondContact O-N 2.98Å
227	D	92.9	Very high	93.2	Very high	118 Å²	118	52.9 Å²	52.9	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-60.9	-20.2	177.4	-72.5	-13.2	0	0	0	112	K223 A229	K223-D227 WeakPolarHBondContact O-CB 3.38Å; K223-D227 VanDerWaalsContact O-CG 3.23Å; K223-D227 PolarHBondContact O-N 3.3Å; D227-A229 PolarHBondContact O-N 2.99Å
228	G	86.9	Confident	93.1	Very high	19 Å²	19	50.4 Å²	50.4	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.6	173.4	0	0	0	0	0	115.8	V225 Q226 G230 K231	V225-G228 PolarHBondContact O-N 3.06Å; Q226-G228 PolarHBondContact O-N 3.38Å; Q226-G228 VanDerWaalsContact O-N 3.08Å; G228-G230 VanDerWaalsContact C-N 3.31Å; G228-G230 PolarHBondContact O-N 2.84Å; G228-K231 WeakPolarHBondContact O-CB 3.38Å; G228-K231 PolarHBondContact O-N 3.37Å
229	A	85.1	Confident	93.1	Very high	98 Å²	98	50 Å²	50	81%	0.81	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.9	173.6	0	0	0	0	0	114.3	Q226 D227	Q226-A229 PolarHBondContact O-N 2.98Å; D227-A229 PolarHBondContact O-N 2.99Å
230	G	83.6	Confident	92.9	Very high	40 Å²	40	51.2 Å²	51.2	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-1.2	179.6	0	0	0	0	0	115.1	G228 P232 R284	G228-G230 VanDerWaalsContact C-N 3.31Å; G228-G230 PolarHBondContact O-N 2.84Å; G230-P232 WeakPolarHBondContact O-CD 3.43Å; G230-R284 WeakPolarHBondContact O-CD 3.45Å; G230-R284 WeakPolarHBondContact O-CG 3.41Å
231	K	91.6	Very high	92.8	Very high	106 Å²	106	50.6 Å²	50.6	46%	0.461	28%	0.281	S	S	.	.			trans	-64.8	130	168.8	-177.3	-173.7	168.6	-169.6	0	110.3	G228 F233 E237	G228-K231 WeakPolarHBondContact O-CB 3.38Å; G228-K231 PolarHBondContact O-N 3.37Å; K231-F233 HydrophobicContact CB-CE2 4.38Å; K231-F233 HydrophobicContact CD-CE1 4.24Å; K231-F233 HydrophobicContact CD-CZ 4.22Å; K231-F233 VanDerWaalsContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CD2 3.39Å; K231-F233 WeakPolarHBondContact O-CE2 3.49Å; K231-E237 IonicContact NZ-OE1 3.37Å
232	P	93	Very high	92.8	Very high	46 Å²	46	51.4 Å²	51.4	30%	0.299	29%	0.286	S	S	.	.			trans	-71.7	140.9	168.5	-19.7	34.1	0	0	0	112.5	G230 V274 K282 W283	G230-P232 WeakPolarHBondContact O-CD 3.43Å; P232-V274 HydrophobicContact CB-CG2 3.52Å; P232-V274 HydrophobicContact CG-CG2 3.65Å; P232-K282 HydrophobicContact CB-CB 3.96Å; P232-K282 HydrophobicContact CB-CD 4.36Å; P232-W283 CarbonylContact C-O 3.54Å; P232-W283 VanDerWaalsContact CA-O 3.26Å; P232-W283 WeakPolarHBondContact CA-O 3.46Å
233	F	94.4	Very high	92.6	Very high	13 Å²	13	51.8 Å²	51.8	6%	0.057	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.8	175.3	-62.8	-92.5	0	0	0	111.5	K231 E237 L238 L241 K282 W283	K231-F233 HydrophobicContact CB-CE2 4.38Å; K231-F233 HydrophobicContact CD-CE1 4.24Å; K231-F233 HydrophobicContact CD-CZ 4.22Å; K231-F233 VanDerWaalsContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CD2 3.39Å; K231-F233 WeakPolarHBondContact O-CE2 3.49Å; F233-E237 HydrophobicContact CB-CB 4.5Å; F233-E237 HydrophobicContact CD1-CB 4.2Å; F233-L238 HydrophobicContact CB-CD1 4.1Å; F233-L238 HydrophobicContact CB-CD2 3.84Å; F233-L238 HydrophobicContact CB-CG 3.68Å; F233-L238 HydrophobicContact CD1-CD2 4.25Å; F233-L238 HydrophobicContact CD2-CD2 4.21Å; F233-L238 HydrophobicContact CG-CD2 3.87Å; F233-L238 HydrophobicContact CG-CG 4.25Å; F233-L241 HydrophobicContact CD1-CD1 4.13Å; F233-L241 HydrophobicContact CE1-CD1 3.77Å; F233-L241 HydrophobicContact CZ-CD1 4.48Å; F233-K282 CarbonylContact O-C 3.53Å; F233-K282 VanDerWaalsContact O-CA 3.27Å; F233-K282 WeakPolarHBondContact O-CA 3.38Å; F233-W283 PolarHBondContact N-O 3.13Å; F233-W283 PolarHBondContact O-N 3.23Å
234	S	94.4	Very high	92.4	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	160.4	161.5	62.9	0	0	0	0	111.1	M236 E237 L238 S281	S234-M236 VanDerWaalsContact C-N 3.31Å; S234-M236 PolarHBondContact O-N 3.02Å; S234-E237 WeakPolarHBondContact CB-OE2 3.42Å; S234-E237 PolarHBondContact N-OE2 3.16Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 VanDerWaalsContact OG-CG 3.25Å; S234-E237 WeakPolarHBondContact OG-CG 3.18Å; S234-E237 PolarHBondContact OG-N 3.43Å; S234-E237 PolarHBondContact OG-OE2 3.36Å; S234-L238 PolarHBondContact O-N 3.45Å; S234-L238 VanDerWaalsContact O-N 3.12Å; S234-S281 WeakPolarHBondContact CA-O 3.25Å
235	S	94.4	Very high	92.2	Very high	18 Å²	18	60.4 Å²	60.4	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-41.9	177.3	66.6	0	0	0	0	111.7	E237 L238 V239 N255 L258	S235-E237 PolarHBondContact O-N 3.06Å; S235-L238 CarbonylContact O-C 3.53Å; S235-L238 PolarHBondContact O-N 3.27Å; S235-L238 VanDerWaalsContact O-N 3.15Å; S235-V239 WeakPolarHBondContact O-CG2 3.43Å; S235-V239 PolarHBondContact O-N 3.04Å; S235-N255 WeakPolarHBondContact CB-OD1 3.47Å; S235-N255 PolarHBondContact OG-OD1 2.88Å; S235-L258 WeakPolarHBondContact O-CD2 3.4Å
236	M	94.2	Very high	92	Very high	57 Å²	57	62.2 Å²	62.2	28%	0.281	34%	0.34	S	S	.	.	H	α-helix	trans	-68	-31.8	178.4	-75.2	-58.4	-56.5	0	0	113.7	S234 V239 K240 H251 N255	S234-M236 VanDerWaalsContact C-N 3.31Å; S234-M236 PolarHBondContact O-N 3.02Å; M236-V239 PolarHBondContact O-N 3.22Å; M236-V239 HydrophobicContact SD-CG2 4.46Å; M236-K240 PolarHBondContact O-N 3.06Å; M236-H251 HydrophobicContact CE-CB 4.25Å; M236-N255 HydrophobicContact SD-CB 3.71Å
237	E	94.5	Very high	92	Very high	67 Å²	67	61.5 Å²	61.5	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-43.5	170.3	-75.8	167.9	122.2	0	0	110.6	K231 F233 S234 S235 V239 K240 L241	K231-E237 IonicContact NZ-OE1 3.37Å; F233-E237 HydrophobicContact CB-CB 4.5Å; F233-E237 HydrophobicContact CD1-CB 4.2Å; S234-E237 WeakPolarHBondContact CB-OE2 3.42Å; S234-E237 PolarHBondContact N-OE2 3.16Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-E237 VanDerWaalsContact OG-CG 3.25Å; S234-E237 WeakPolarHBondContact OG-CG 3.18Å; S234-E237 PolarHBondContact OG-N 3.43Å; S234-E237 PolarHBondContact OG-OE2 3.36Å; S235-E237 PolarHBondContact O-N 3.06Å; E237-V239 VanDerWaalsContact C-N 3.35Å; E237-K240 PolarHBondContact O-N 3.28Å; E237-L241 WeakPolarHBondContact O-CG 3.1Å; E237-L241 PolarHBondContact O-N 3.32Å
238	L	95	Very high	91.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.9	-34.8	176.4	-66.3	171.2	0	0	0	112.3	A224 V225 F233 S234 S235 K240 L241 V242 L258 L262	A224-L238 HydrophobicContact CB-CD2 4.06Å; V225-L238 HydrophobicContact CG2-CD1 3.87Å; V225-L238 HydrophobicContact CG2-CD2 3.71Å; V225-L238 HydrophobicContact CG2-CG 4.47Å; F233-L238 HydrophobicContact CB-CD1 4.1Å; F233-L238 HydrophobicContact CB-CD2 3.84Å; F233-L238 HydrophobicContact CB-CG 3.68Å; F233-L238 HydrophobicContact CD1-CD2 4.25Å; F233-L238 HydrophobicContact CD2-CD2 4.21Å; F233-L238 HydrophobicContact CG-CD2 3.87Å; F233-L238 HydrophobicContact CG-CG 4.25Å; S234-L238 PolarHBondContact O-N 3.45Å; S234-L238 VanDerWaalsContact O-N 3.12Å; S235-L238 CarbonylContact O-C 3.53Å; S235-L238 PolarHBondContact O-N 3.27Å; S235-L238 VanDerWaalsContact O-N 3.15Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.09Å; L238-L241 HydrophobicContact CD2-CD1 4.4Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.11Å; L238-V242 VanDerWaalsContact O-CB 3.3Å; L238-V242 WeakPolarHBondContact O-CB 3.35Å; L238-V242 WeakPolarHBondContact O-CG2 3.44Å; L238-V242 PolarHBondContact O-N 3.31Å; L238-L258 HydrophobicContact CB-CD1 3.78Å; L238-L258 HydrophobicContact CB-CD2 4Å; L238-L258 HydrophobicContact CD1-CD2 4.46Å; L238-L262 HydrophobicContact CD1-CD1 4.25Å; L238-L262 HydrophobicContact CD1-CD2 3.76Å
239	V	95.6	Very high	92.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-56	-49.1	173.4	168	0	0	0	0	110.4	S235 M236 E237 L241 V242 Y243 H251 A254 N255 L258	S235-V239 WeakPolarHBondContact O-CG2 3.43Å; S235-V239 PolarHBondContact O-N 3.04Å; M236-V239 PolarHBondContact O-N 3.22Å; M236-V239 HydrophobicContact SD-CG2 4.46Å; E237-V239 VanDerWaalsContact C-N 3.35Å; V239-L241 PolarHBondContact O-N 2.84Å; V239-V242 PolarHBondContact O-N 2.83Å; V239-Y243 HydrophobicContact CB-CD2 4.43Å; V239-Y243 HydrophobicContact CG1-CD2 4.25Å; V239-Y243 HydrophobicContact CG2-CD2 4.45Å; V239-Y243 WeakPolarHBondContact O-CA 3.3Å; V239-Y243 WeakPolarHBondContact O-CB 3.35Å; V239-Y243 PolarHBondContact O-N 2.87Å; V239-H251 HydrophobicContact CG1-CB 4.05Å; V239-A254 HydrophobicContact CG1-CB 4.18Å; V239-N255 HydrophobicContact CG2-CB 3.85Å; V239-L258 HydrophobicContact CG2-CB 4.15Å; V239-L258 HydrophobicContact CG2-CD1 4.11Å; V239-L258 HydrophobicContact CG2-CD2 4.31Å; V239-L258 HydrophobicContact CG2-CG 4.42Å
240	K	93.7	Very high	92.5	Very high	139 Å²	139	68.6 Å²	68.6	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-28.3	178.8	-67.3	179.3	-179	-174.7	0	113.3	M236 E237 L238	M236-K240 PolarHBondContact O-N 3.06Å; E237-K240 PolarHBondContact O-N 3.28Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.09Å
241	L	93.9	Very high	93	Very high	78 Å²	78	68 Å²	68	41%	0.408	34%	0.344	S	S	.	.	H	α-helix	trans	-82.1	-37.7	178.1	-66.9	174.1	0	0	0	112.9	A224 F233 E237 L238 V239 K244	A224-L241 HydrophobicContact CB-CB 4.43Å; F233-L241 HydrophobicContact CD1-CD1 4.13Å; F233-L241 HydrophobicContact CE1-CD1 3.77Å; F233-L241 HydrophobicContact CZ-CD1 4.48Å; E237-L241 WeakPolarHBondContact O-CG 3.1Å; E237-L241 PolarHBondContact O-N 3.32Å; L238-L241 HydrophobicContact CD2-CD1 4.4Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.11Å; V239-L241 PolarHBondContact O-N 2.84Å; L241-K244 WeakPolarHBondContact O-CE 3.32Å; L241-K244 WeakPolarHBondContact O-CG 3.46Å
242	V	94.3	Very high	93.1	Very high	18 Å²	18	69.2 Å²	69.2	11%	0.109	35%	0.351	C	S	.	.	H	α-helix	trans	-96.5	-30.9	-169.7	172.5	0	0	0	0	112.3	R217 Q220 I221 A224 L238 V239	R217-V242 PolarHBondContact NH1-O 3.21Å; Q220-V242 HydrophobicContact CB-CG1 4.03Å; I221-V242 HydrophobicContact CG1-CG1 4.04Å; I221-V242 HydrophobicContact CG1-CG2 4.05Å; A224-V242 HydrophobicContact CB-CG2 3.91Å; L238-V242 VanDerWaalsContact O-CB 3.3Å; L238-V242 WeakPolarHBondContact O-CB 3.35Å; L238-V242 WeakPolarHBondContact O-CG2 3.44Å; L238-V242 PolarHBondContact O-N 3.31Å; V239-V242 PolarHBondContact O-N 2.83Å
243	Y	92.4	Very high	92.9	Very high	17 Å²	17	70.1 Å²	70.1	7%	0.067	36%	0.362	C	S	.	.			trans	-108	46.8	-177.2	-65.4	-96.7	0	0	0	112	R217 V239 D245 T246 A254 N257 L258	R217-Y243 VanDerWaalsContact CZ-CE1 3.45Å; V239-Y243 HydrophobicContact CB-CD2 4.43Å; V239-Y243 HydrophobicContact CG1-CD2 4.25Å; V239-Y243 HydrophobicContact CG2-CD2 4.45Å; V239-Y243 WeakPolarHBondContact O-CA 3.3Å; V239-Y243 WeakPolarHBondContact O-CB 3.35Å; V239-Y243 PolarHBondContact O-N 2.87Å; Y243-D245 PolarHBondContact O-N 3.39Å; Y243-T246 WeakPolarHBondContact O-CB 3.47Å; Y243-T246 PolarHBondContact O-N 3.27Å; Y243-A254 HydrophobicContact CD1-CB 3.69Å; Y243-A254 HydrophobicContact CD2-CB 4.11Å; Y243-A254 HydrophobicContact CE1-CB 3.79Å; Y243-A254 HydrophobicContact CE2-CB 4.18Å; Y243-A254 HydrophobicContact CG-CB 3.85Å; Y243-N257 PolarHBondContact OH-OD1 2.91Å; Y243-L258 HydrophobicContact CD2-CD1 4.39Å; Y243-L258 HydrophobicContact CE2-CB 4.15Å; Y243-L258 HydrophobicContact CE2-CD1 3.8Å
244	K	89.9	Confident	92.8	Very high	159 Å²	159	69.9 Å²	69.9	69%	0.691	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.5	-175.1	-63	-176.5	-177.3	179.6	0	113.7	L241	L241-K244 WeakPolarHBondContact O-CE 3.32Å; L241-K244 WeakPolarHBondContact O-CG 3.46Å
245	D	90.1	Very high	92.8	Very high	165 Å²	165	70.1 Å²	70.1	88%	0.882	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	4.5	-177.7	-52	-51.5	0	0	0	112.9	Y243	Y243-D245 PolarHBondContact O-N 3.39Å
246	T	90.1	Very high	92.7	Very high	39 Å²	39	73.2 Å²	73.2	24%	0.239	38%	0.381	C	S	.	.	S	Bend	trans	-90.8	125.7	178.1	-58.5	0	0	0	0	110.4	Y243 L250 H251	Y243-T246 WeakPolarHBondContact O-CB 3.47Å; Y243-T246 PolarHBondContact O-N 3.27Å; T246-L250 HydrophobicContact CG2-CB 3.68Å; T246-L250 HydrophobicContact CG2-CD1 4.46Å; T246-H251 PolarHBondContact O-CD2 2.82Å; T246-H251 PolarHBondContact O-NE2 3.42Å
247	P	92.6	Very high	92.6	Very high	72 Å²	72	72.2 Å²	72.2	47%	0.468	38%	0.376	S	S	.	.			trans	-52	143	175.2	-29.1	35.5	0	0	0	113.4	N249 L250 H251	P247-N249 WeakPolarHBondContact CB-OD1 3.47Å; P247-N249 PolarHBondContact O-N 3.34Å; P247-L250 HydrophobicContact CG-CD1 4.44Å; P247-L250 WeakPolarHBondContact O-CA 3.49Å; P247-L250 WeakPolarHBondContact O-CB 3.48Å; P247-L250 PolarHBondContact O-N 3.3Å; P247-H251 PolarHBondContact O-CD2 3.24Å; P247-H251 VanDerWaalsContact O-CD2 3.24Å
248	E	91.2	Very high	92.6	Very high	166 Å²	166	69 Å²	69	78%	0.776	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-57.6	-34.5	-176.2	-69.5	-167.5	162.8	0	0	113.5	L250 H251	E248-L250 PolarHBondContact O-N 3.49Å; E248-L250 VanDerWaalsContact O-N 3.12Å; E248-H251 WeakPolarHBondContact O-CB 3.5Å; E248-H251 PolarHBondContact O-N 3.06Å
249	N	92.8	Very high	92.6	Very high	135 Å²	135	71.2 Å²	71.2	72%	0.722	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-64.5	-15.7	176.8	68.8	-65	0	0	0	113.3	P247	P247-N249 WeakPolarHBondContact CB-OD1 3.47Å; P247-N249 PolarHBondContact O-N 3.34Å
250	L	91.7	Very high	92.7	Very high	84 Å²	84	73.1 Å²	73.1	44%	0.44	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-101	-0.7	175.5	-61.7	-179.2	0	0	0	113.1	T246 P247 E248 Q252 A253 A254	T246-L250 HydrophobicContact CG2-CB 3.68Å; T246-L250 HydrophobicContact CG2-CD1 4.46Å; P247-L250 HydrophobicContact CG-CD1 4.44Å; P247-L250 WeakPolarHBondContact O-CA 3.49Å; P247-L250 WeakPolarHBondContact O-CB 3.48Å; P247-L250 PolarHBondContact O-N 3.3Å; E248-L250 PolarHBondContact O-N 3.49Å; E248-L250 VanDerWaalsContact O-N 3.12Å; L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 3.28Å; L250-A253 PolarHBondContact O-N 3.39Å; L250-A253 VanDerWaalsContact O-N 3.16Å; L250-A254 PolarHBondContact O-N 2.93Å
251	H	92.9	Very high	92.8	Very high	26 Å²	26	66.6 Å²	66.6	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-32	-177.6	-75.4	-171.3	0	0	0	113.1	M236 V239 T246 P247 E248 A254 N255	M236-H251 HydrophobicContact CE-CB 4.25Å; V239-H251 HydrophobicContact CG1-CB 4.05Å; T246-H251 PolarHBondContact O-CD2 2.82Å; T246-H251 PolarHBondContact O-NE2 3.42Å; P247-H251 PolarHBondContact O-CD2 3.24Å; P247-H251 VanDerWaalsContact O-CD2 3.24Å; E248-H251 WeakPolarHBondContact O-CB 3.5Å; E248-H251 PolarHBondContact O-N 3.06Å; H251-A254 PolarHBondContact O-N 3.16Å; H251-N255 WeakPolarHBondContact O-CB 3.41Å; H251-N255 PolarHBondContact O-N 3.24Å
252	Q	93.2	Very high	92.9	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-42.9	175.1	-69	-61.1	-30.2	0	0	111.6	L250 N255 V256	L250-Q252 VanDerWaalsContact C-N 3.27Å; L250-Q252 PolarHBondContact O-N 3.28Å; Q252-N255 WeakPolarHBondContact O-CB 3.41Å; Q252-N255 PolarHBondContact O-N 3.48Å; Q252-V256 PolarHBondContact O-N 3.02Å; Q252-V256 VanDerWaalsContact O-N 3.15Å
253	A	89.5	Confident	93	Very high	65 Å²	65	64.3 Å²	64.3	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-41.1	174.5	0	0	0	0	0	111.6	L250 N255 V256 N257	L250-A253 PolarHBondContact O-N 3.39Å; L250-A253 VanDerWaalsContact O-N 3.16Å; A253-N255 VanDerWaalsContact C-N 3.29Å; A253-N255 PolarHBondContact O-N 3.18Å; A253-V256 PolarHBondContact O-N 3.29Å; A253-N257 PolarHBondContact O-N 2.81Å
254	A	92.3	Very high	93.3	Very high	9 Å²	9	64 Å²	64	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-36.5	173.7	0	0	0	0	0	112.4	V239 Y243 L250 H251 N257 L258	V239-A254 HydrophobicContact CG1-CB 4.18Å; Y243-A254 HydrophobicContact CD1-CB 3.69Å; Y243-A254 HydrophobicContact CD2-CB 4.11Å; Y243-A254 HydrophobicContact CE1-CB 3.79Å; Y243-A254 HydrophobicContact CE2-CB 4.18Å; Y243-A254 HydrophobicContact CG-CB 3.85Å; L250-A254 PolarHBondContact O-N 2.93Å; H251-A254 PolarHBondContact O-N 3.16Å; A254-N257 PolarHBondContact O-N 2.89Å; A254-L258 WeakPolarHBondContact O-CB 3.36Å; A254-L258 PolarHBondContact O-N 2.93Å
255	N	94.4	Very high	93.6	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-40	176.6	-173.1	64.3	0	0	0	111.9	S235 M236 V239 H251 Q252 A253 N257 L258 V259	S235-N255 WeakPolarHBondContact CB-OD1 3.47Å; S235-N255 PolarHBondContact OG-OD1 2.88Å; M236-N255 HydrophobicContact SD-CB 3.71Å; V239-N255 HydrophobicContact CG2-CB 3.85Å; H251-N255 WeakPolarHBondContact O-CB 3.41Å; H251-N255 PolarHBondContact O-N 3.24Å; Q252-N255 WeakPolarHBondContact O-CB 3.41Å; Q252-N255 PolarHBondContact O-N 3.48Å; A253-N255 VanDerWaalsContact C-N 3.29Å; A253-N255 PolarHBondContact O-N 3.18Å; N255-N257 PolarHBondContact O-N 3.28Å; N255-L258 PolarHBondContact O-N 2.89Å; N255-V259 VanDerWaalsContact O-CG2 3.3Å; N255-V259 WeakPolarHBondContact O-CG2 3.45Å; N255-V259 PolarHBondContact O-N 3.44Å
256	V	92.4	Very high	93.9	Very high	84 Å²	84	52 Å²	52	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-56.6	-51.7	173.5	175.2	0	0	0	0	110.1	Q252 A253 L258 V259 H260	Q252-V256 PolarHBondContact O-N 3.02Å; Q252-V256 VanDerWaalsContact O-N 3.15Å; A253-V256 PolarHBondContact O-N 3.29Å; V256-L258 VanDerWaalsContact C-N 3.35Å; V256-L258 PolarHBondContact O-N 3.2Å; V256-V259 PolarHBondContact O-N 3.12Å; V256-H260 PolarHBondContact O-CD2 2.98Å; V256-H260 PolarHBondContact O-N 2.95Å
257	N	91.7	Very high	94.2	Very high	35 Å²	35	55.1 Å²	55.1	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-44.3	177.2	-177.4	-96.4	0	0	0	112.6	Y243 A253 A254 N255 V259 H260 H261	Y243-N257 PolarHBondContact OH-OD1 2.91Å; A253-N257 PolarHBondContact O-N 2.81Å; A254-N257 PolarHBondContact O-N 2.89Å; N255-N257 PolarHBondContact O-N 3.28Å; N257-V259 VanDerWaalsContact C-N 3.34Å; N257-V259 PolarHBondContact O-N 2.75Å; N257-H260 PolarHBondContact O-N 3.03Å; N257-H261 PolarHBondContact O-CD2 2.89Å; N257-H261 PolarHBondContact O-N 3.28Å; N257-H261 PolarHBondContact OD1-CD2 3.38Å
258	L	95	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179.8	-174.7	130	0	0	0	112.3	I221 S235 L238 V239 Y243 A254 N255 V256 H260 H261 L262	I221-L258 HydrophobicContact CD1-CD1 3.98Å; I221-L258 HydrophobicContact CD1-CG 4.05Å; I221-L258 HydrophobicContact CG1-CD1 4.02Å; S235-L258 WeakPolarHBondContact O-CD2 3.4Å; L238-L258 HydrophobicContact CB-CD1 3.78Å; L238-L258 HydrophobicContact CB-CD2 4Å; L238-L258 HydrophobicContact CD1-CD2 4.46Å; V239-L258 HydrophobicContact CG2-CB 4.15Å; V239-L258 HydrophobicContact CG2-CD1 4.11Å; V239-L258 HydrophobicContact CG2-CD2 4.31Å; V239-L258 HydrophobicContact CG2-CG 4.42Å; Y243-L258 HydrophobicContact CD2-CD1 4.39Å; Y243-L258 HydrophobicContact CE2-CB 4.15Å; Y243-L258 HydrophobicContact CE2-CD1 3.8Å; A254-L258 WeakPolarHBondContact O-CB 3.36Å; A254-L258 PolarHBondContact O-N 2.93Å; N255-L258 PolarHBondContact O-N 2.89Å; V256-L258 VanDerWaalsContact C-N 3.35Å; V256-L258 PolarHBondContact O-N 3.2Å; L258-H260 VanDerWaalsContact C-N 3.33Å; L258-H260 PolarHBondContact O-N 3.22Å; L258-H261 WeakPolarHBondContact O-CB 3.35Å; L258-H261 PolarHBondContact O-N 3.37Å; L258-H261 VanDerWaalsContact O-N 3.16Å; L258-L262 HydrophobicContact CD2-CD1 3.56Å; L258-L262 HydrophobicContact CD2-CG 4.07Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 3.19Å
259	V	95.4	Very high	94.6	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.285	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-41.5	176.4	167.5	0	0	0	0	111	N255 V256 N257 H261 L262 T263	N255-V259 VanDerWaalsContact O-CG2 3.3Å; N255-V259 WeakPolarHBondContact O-CG2 3.45Å; N255-V259 PolarHBondContact O-N 3.44Å; V256-V259 PolarHBondContact O-N 3.12Å; N257-V259 VanDerWaalsContact C-N 3.34Å; N257-V259 PolarHBondContact O-N 2.75Å; V259-H261 VanDerWaalsContact C-N 3.29Å; V259-H261 PolarHBondContact O-N 2.85Å; V259-L262 PolarHBondContact O-N 2.94Å; V259-L262 VanDerWaalsContact O-N 3.14Å; V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 3.09Å; V259-T263 VanDerWaalsContact O-OG1 3.09Å
260	H	96.4	Very high	94.7	Very high	40 Å²	40	45.4 Å²	45.4	19%	0.185	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-37.7	175	-64	-71.5	0	0	0	112.7	F171 E172 L174 V256 N257 L258 K264	F171-H260 HydrophobicContact CD2-CB 4.28Å; F171-H260 HydrophobicContact CE2-CB 3.69Å; F171-H260 AromaticContact CE2-CD2 3.94Å; F171-H260 AromaticContact CE2-CG 3.78Å; F171-H260 PolarHBondContact O-CE1 2.99Å; F171-H260 PolarHBondContact O-NE2 3.06Å; E172-H260 PolarHBondContact O-CE1 3.08Å; E172-H260 VanDerWaalsContact O-CE1 3.22Å; E172-H260 PolarHBondContact O-ND1 2.89Å; E172-H260 VanDerWaalsContact O-ND1 3.09Å; L174-H260 HydrophobicContact CB-CB 3.98Å; V256-H260 PolarHBondContact O-CD2 2.98Å; V256-H260 PolarHBondContact O-N 2.95Å; N257-H260 PolarHBondContact O-N 3.03Å; L258-H260 VanDerWaalsContact C-N 3.33Å; L258-H260 PolarHBondContact O-N 3.22Å; H260-K264 WeakPolarHBondContact O-CB 3.4Å; H260-K264 PolarHBondContact O-N 2.6Å
261	H	97.2	Very high	94.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-44	172.5	-82	-77	0	0	0	112.3	L174 R214 R217 I221 N257 L258 V259 K264 L265	L174-H261 HydrophobicContact CD2-CB 4.36Å; L174-H261 WeakPolarHBondContact CD2-CE1 3.42Å; L174-H261 VanDerWaalsContact CD2-ND1 3.29Å; L174-H261 WeakPolarHBondContact CD2-ND1 3.31Å; R214-H261 PolarHBondContact O-CE1 2.82Å; R217-H261 WeakPolarHBondContact CG-NE2 3.31Å; I221-H261 HydrophobicContact CD1-CB 3.35Å; N257-H261 PolarHBondContact O-CD2 2.89Å; N257-H261 PolarHBondContact O-N 3.28Å; N257-H261 PolarHBondContact OD1-CD2 3.38Å; L258-H261 WeakPolarHBondContact O-CB 3.35Å; L258-H261 PolarHBondContact O-N 3.37Å; L258-H261 VanDerWaalsContact O-N 3.16Å; V259-H261 VanDerWaalsContact C-N 3.29Å; V259-H261 PolarHBondContact O-N 2.85Å; H261-K264 PolarHBondContact O-N 3.42Å; H261-L265 WeakPolarHBondContact O-CB 3.41Å; H261-L265 VanDerWaalsContact O-CG 3.25Å; H261-L265 WeakPolarHBondContact O-CG 3.3Å; H261-L265 PolarHBondContact O-N 3.19Å
262	L	96.1	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-46.8	177	-66.5	174.7	0	0	0	111.4	I221 L238 L258 V259 K264 L265 E266 I271 W283	I221-L262 HydrophobicContact CG2-CD2 4.02Å; L238-L262 HydrophobicContact CD1-CD1 4.25Å; L238-L262 HydrophobicContact CD1-CD2 3.76Å; L258-L262 HydrophobicContact CD2-CD1 3.56Å; L258-L262 HydrophobicContact CD2-CG 4.07Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 3.19Å; V259-L262 PolarHBondContact O-N 2.94Å; V259-L262 VanDerWaalsContact O-N 3.14Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 3.14Å; L262-L265 PolarHBondContact O-N 3.42Å; L262-E266 WeakPolarHBondContact O-CB 3.34Å; L262-E266 PolarHBondContact O-N 3.15Å; L262-I271 HydrophobicContact CB-CD1 4.13Å; L262-I271 HydrophobicContact CD2-CD1 3.59Å; L262-I271 HydrophobicContact CG-CD1 4.48Å; L262-I271 WeakPolarHBondContact O-CD1 3.26Å; L262-W283 HydrophobicContact CB-CD2 4.47Å; L262-W283 HydrophobicContact CD1-CD2 3.85Å; L262-W283 HydrophobicContact CD1-CE3 3.65Å; L262-W283 HydrophobicContact CD1-CH2 4.06Å; L262-W283 HydrophobicContact CD1-CZ2 4.25Å; L262-W283 HydrophobicContact CD1-CZ3 3.77Å; L262-W283 HydrophobicContact CD2-CG 4.45Å
263	T	95.8	Very high	94.8	Very high	48 Å²	48	39 Å²	39	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-43.9	176.5	-57.9	0	0	0	0	111.5	V259 E266 K267	V259-T263 PolarHBondContact O-N 3.46Å; V259-T263 PolarHBondContact O-OG1 3.09Å; V259-T263 VanDerWaalsContact O-OG1 3.09Å; T263-E266 PolarHBondContact O-N 3.12Å; T263-K267 WeakPolarHBondContact O-CG 3.35Å; T263-K267 PolarHBondContact O-N 3.44Å
264	K	97.5	Very high	94.7	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-49.2	174.7	172.3	172.8	179.9	-59.6	0	111.9	L174 Y175 M178 E218 H260 H261 L262 E266 K267 E268	L174-K264 HydrophobicContact CB-CB 4.36Å; L174-K264 HydrophobicContact CB-CD 4.4Å; L174-K264 HydrophobicContact CD2-CB 4.39Å; L174-K264 HydrophobicContact CD2-CD 3.91Å; L174-K264 HydrophobicContact CG-CD 3.79Å; Y175-K264 HydrophobicContact CD2-CG 4.14Å; M178-K264 HydrophobicContact CG-CD 4.45Å; E218-K264 VanDerWaalsContact CD-NZ 3.3Å; E218-K264 IonicContact OE1-NZ 3.77Å; E218-K264 PolarHBondContact OE1-NZ 3.11Å; E218-K264 VanDerWaalsContact OE1-NZ 3.16Å; E218-K264 WeakPolarHBondContact OE2-CD 3.36Å; E218-K264 WeakPolarHBondContact OE2-CE 3.13Å; E218-K264 IonicContact OE2-NZ 2.86Å; E218-K264 PolarHBondContact OE2-NZ 3.33Å; H260-K264 WeakPolarHBondContact O-CB 3.4Å; H260-K264 PolarHBondContact O-N 2.6Å; H261-K264 PolarHBondContact O-N 3.42Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 3.14Å; K264-E266 VanDerWaalsContact C-N 3.26Å; K264-E266 PolarHBondContact O-N 3.31Å; K264-K267 PolarHBondContact O-N 3.25Å; K264-E268 WeakPolarHBondContact CE-OE1 3.46Å; K264-E268 VanDerWaalsContact NZ-CD 3.3Å; K264-E268 IonicContact NZ-OE1 3.14Å; K264-E268 PolarHBondContact NZ-OE1 2.82Å; K264-E268 IonicContact NZ-OE2 3.8Å; K264-E268 PolarHBondContact NZ-OE2 3.46Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 3.25Å
265	L	97.1	Very high	93.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-34.6	-179.7	-72.5	174.9	0	0	0	112.3	E218 I221 L222 H261 L262 E268 G269 K270 I271	E218-L265 HydrophobicContact CG-CD1 4.4Å; E218-L265 HydrophobicContact CG-CD2 3.68Å; E218-L265 HydrophobicContact CG-CG 4.21Å; I221-L265 HydrophobicContact CG2-CD1 4Å; L222-L265 HydrophobicContact CD1-CD2 3.88Å; L222-L265 HydrophobicContact CD2-CD1 3.92Å; L222-L265 HydrophobicContact CD2-CD2 3.73Å; L222-L265 HydrophobicContact CD2-CG 4.42Å; L222-L265 HydrophobicContact CG-CD1 3.95Å; L222-L265 HydrophobicContact CG-CD2 3.8Å; H261-L265 WeakPolarHBondContact O-CB 3.41Å; H261-L265 VanDerWaalsContact O-CG 3.25Å; H261-L265 WeakPolarHBondContact O-CG 3.3Å; H261-L265 PolarHBondContact O-N 3.19Å; L262-L265 PolarHBondContact O-N 3.42Å; L265-E268 CarbonylContact O-C 3.57Å; L265-E268 PolarHBondContact O-N 3.15Å; L265-G269 PolarHBondContact O-N 2.65Å; L265-K270 HydrophobicContact CD2-CB 4.23Å; L265-K270 HydrophobicContact CD2-CD 3.51Å; L265-K270 PolarHBondContact O-N 2.9Å; L265-I271 HydrophobicContact CB-CD1 3.74Å; L265-I271 HydrophobicContact CB-CG1 3.81Å; L265-I271 HydrophobicContact CB-CG2 4.4Å; L265-I271 HydrophobicContact CD1-CD1 4.45Å
266	E	95.9	Very high	92.6	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-68.6	-46.1	174.4	-179.6	169	-149.4	0	0	111.5	L262 T263 K264 E268 G269 I271 L273 W283	L262-E266 WeakPolarHBondContact O-CB 3.34Å; L262-E266 PolarHBondContact O-N 3.15Å; T263-E266 PolarHBondContact O-N 3.12Å; K264-E266 VanDerWaalsContact C-N 3.26Å; K264-E266 PolarHBondContact O-N 3.31Å; E266-E268 PolarHBondContact O-N 3.28Å; E266-G269 WeakPolarHBondContact O-CA 3.34Å; E266-G269 PolarHBondContact O-N 2.87Å; E266-I271 HydrophobicContact CB-CG1 4.11Å; E266-L273 WeakPolarHBondContact OE1-CB 3.43Å; E266-W283 PolarHBondContact OE2-NE1 3.38Å
267	K	96.2	Very high	91.3	Very high	104 Å²	104	45.1 Å²	45.1	45%	0.452	24%	0.243	S	C	.	.	H	α-helix	trans	-56.2	-34	172.2	-75.5	-178	178.5	-174.8	0	112.4	D173 Y175 D176 T263 K264 G269	D173-K267 IonicContact OD1-NZ 3.31Å; D173-K267 PolarHBondContact OD1-NZ 2.86Å; D173-K267 WeakPolarHBondContact OD2-CE 3.45Å; D173-K267 IonicContact OD2-NZ 3.8Å; D173-K267 PolarHBondContact OD2-NZ 2.69Å; Y175-K267 HydrophobicContact CD1-CD 3.98Å; Y175-K267 HydrophobicContact CD2-CB 4.48Å; Y175-K267 HydrophobicContact CG-CD 3.94Å; D176-K267 IonicContact OD2-NZ 3.81Å; T263-K267 WeakPolarHBondContact O-CG 3.35Å; T263-K267 PolarHBondContact O-N 3.44Å; K264-K267 PolarHBondContact O-N 3.25Å; K267-G269 VanDerWaalsContact C-N 3.29Å
268	E	96.3	Very high	89.6	Confident	70 Å²	70	49.5 Å²	49.5	33%	0.327	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.5	176.7	-69.3	177.2	172.7	0	0	113.7	Y175 K264 L265 E266 K270	Y175-E268 HydrophobicContact CD2-CG 3.98Å; Y175-E268 HydrophobicContact CE2-CG 3.8Å; K264-E268 WeakPolarHBondContact CE-OE1 3.46Å; K264-E268 VanDerWaalsContact NZ-CD 3.3Å; K264-E268 IonicContact NZ-OE1 3.14Å; K264-E268 PolarHBondContact NZ-OE1 2.82Å; K264-E268 IonicContact NZ-OE2 3.8Å; K264-E268 PolarHBondContact NZ-OE2 3.46Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 3.25Å; L265-E268 CarbonylContact O-C 3.57Å; L265-E268 PolarHBondContact O-N 3.15Å; E266-E268 PolarHBondContact O-N 3.28Å; E268-K270 HydrophobicContact CB-CD 4.28Å; E268-K270 HydrophobicContact CB-CG 4.29Å; E268-K270 PolarHBondContact O-N 3.26Å; E268-K270 WeakPolarHBondContact OE2-CE 3.12Å; E268-K270 IonicContact OE2-NZ 3.58Å; E268-K270 PolarHBondContact OE2-NZ 3.33Å
269	G	95.8	Very high	87.8	Confident	44 Å²	44	55.6 Å²	55.6	45%	0.454	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	13.5	179.6	0	0	0	0	0	114.7	L265 E266 K267 N286	L265-G269 PolarHBondContact O-N 2.65Å; E266-G269 WeakPolarHBondContact O-CA 3.34Å; E266-G269 PolarHBondContact O-N 2.87Å; K267-G269 VanDerWaalsContact C-N 3.29Å; G269-N286 PolarHBondContact O-ND2 3.33Å
270	K	95.6	Very high	86.5	Confident	55 Å²	55	55.4 Å²	55.4	24%	0.239	31%	0.314	C	S	.	.	S	Bend	trans	-79.1	-25.6	179.6	-68.7	171.1	176	163.1	0	112.6	E218 L222 L265 E268 N286 L287	E218-K270 IonicContact OE1-NZ 3.83Å; E218-K270 PolarHBondContact OE1-NZ 3.2Å; L222-K270 HydrophobicContact CD1-CD 4.32Å; L222-K270 HydrophobicContact CD2-CB 4.25Å; L222-K270 HydrophobicContact CD2-CD 4.4Å; L265-K270 HydrophobicContact CD2-CB 4.23Å; L265-K270 HydrophobicContact CD2-CD 3.51Å; L265-K270 PolarHBondContact O-N 2.9Å; E268-K270 HydrophobicContact CB-CD 4.28Å; E268-K270 HydrophobicContact CB-CG 4.29Å; E268-K270 PolarHBondContact O-N 3.26Å; E268-K270 WeakPolarHBondContact OE2-CE 3.12Å; E268-K270 IonicContact OE2-NZ 3.58Å; E268-K270 PolarHBondContact OE2-NZ 3.33Å; K270-N286 WeakPolarHBondContact O-CB 3.21Å; K270-N286 PolarHBondContact O-N 2.94Å; K270-L287 HydrophobicContact CB-CD1 4.38Å; K270-L287 HydrophobicContact CG-CD1 4.45Å
271	I	95.3	Very high	86	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	160.9	173.9	67.7	178.2	0	0	0	109.7	V225 L262 L265 E266 W283 R284 N286	V225-I271 HydrophobicContact CG1-CG2 4.43Å; L262-I271 HydrophobicContact CB-CD1 4.13Å; L262-I271 HydrophobicContact CD2-CD1 3.59Å; L262-I271 HydrophobicContact CG-CD1 4.48Å; L262-I271 WeakPolarHBondContact O-CD1 3.26Å; L265-I271 HydrophobicContact CB-CD1 3.74Å; L265-I271 HydrophobicContact CB-CG1 3.81Å; L265-I271 HydrophobicContact CB-CG2 4.4Å; L265-I271 HydrophobicContact CD1-CD1 4.45Å; E266-I271 HydrophobicContact CB-CG1 4.11Å; I271-W283 HydrophobicContact CD1-CB 4.01Å; I271-W283 HydrophobicContact CD1-CG 3.98Å; I271-R284 CarbonylContact C-O 3.53Å; I271-R284 WeakPolarHBondContact CA-O 3.32Å; I271-R284 WeakPolarHBondContact CB-O 3.29Å; I271-N286 VanDerWaalsContact C-ND2 3.33Å; I271-N286 PolarHBondContact O-ND2 3.1Å
272	T	93.6	Very high	85.8	Confident	57 Å²	57	58.5 Å²	58.5	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	174.6	-59.8	0	0	0	0	110.2	V274 W283 R284 N286	T272-V274 HydrophobicContact CG2-CG1 4.38Å; T272-V274 PolarHBondContact O-N 3.43Å; T272-W283 WeakPolarHBondContact O-CA 3.05Å; T272-R284 PolarHBondContact N-O 2.94Å; T272-R284 PolarHBondContact O-N 2.88Å; T272-N286 WeakPolarHBondContact CB-OD1 3.38Å; T272-N286 PolarHBondContact OG1-ND2 2.88Å; T272-N286 PolarHBondContact OG1-OD1 2.92Å
273	L	91.4	Very high	85.6	Confident	47 Å²	47	59.4 Å²	59.4	25%	0.246	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	118.1	165.1	-176.3	73.2	0	0	0	110	E266 H276 K282 W283	E266-L273 WeakPolarHBondContact OE1-CB 3.43Å; L273-H276 HydrophobicContact CD2-CB 4.21Å; L273-K282 WeakPolarHBondContact CD1-O 3.27Å; L273-W283 HydrophobicContact CD1-CD2 4.07Å; L273-W283 HydrophobicContact CD1-CG 4.42Å; L273-W283 HydrophobicContact CD1-CZ2 3.99Å
274	V	86.9	Confident	85.5	Confident	56 Å²	56	62.3 Å²	62.3	34%	0.339	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-15.4	-172.6	-67.2	0	0	0	0	114.3	P232 T272 K282 R284	P232-V274 HydrophobicContact CB-CG2 3.52Å; P232-V274 HydrophobicContact CG-CG2 3.65Å; T272-V274 HydrophobicContact CG2-CG1 4.38Å; T272-V274 PolarHBondContact O-N 3.43Å; V274-K282 HydrophobicContact CG2-CB 4.38Å; V274-K282 WeakPolarHBondContact CG2-O 3.24Å; V274-K282 PolarHBondContact N-O 3.49Å; V274-R284 HydrophobicContact CG1-CB 3.92Å; V274-R284 HydrophobicContact CG2-CB 4.31Å
275	D	75.4	Confident	85.2	Confident	77 Å²	77	62.6 Å²	62.6	41%	0.412	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.6	174.1	-170.3	-3	0	0	0	108.5	S281 K282	D275-S281 WeakPolarHBondContact O-CA 3.44Å; D275-K282 HydrophobicContact CB-CB 4.33Å; D275-K282 PolarHBondContact O-N 3.3Å; D275-K282 VanDerWaalsContact O-N 3.1Å
276	H	68.1	Low	84.9	Confident	145 Å²	145	66.3 Å²	66.3	67%	0.671	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	84.9	177	-173.1	-59.4	0	0	0	108.3	L273	L273-H276 HydrophobicContact CD2-CB 4.21Å
277	S	64.5	Low	84.4	Confident	36 Å²	36	69.6 Å²	69.6	25%	0.252	38%	0.383	S	S	.	.			trans	-98.2	159.9	167.3	68.2	0	0	0	0	110.3	T279 S280	S277-T279 PolarHBondContact O-N 2.84Å; S277-S280 PolarHBondContact N-O 2.86Å; S277-S280 PolarHBondContact OG-N 2.76Å; S277-S280 PolarHBondContact OG-O 2.78Å
278	S	56.6	Low	83.8	Confident	127 Å²	127	67.9 Å²	67.9	89%	0.888	38%	0.38	S	S	*	.	S	Bend	trans	-61.7	-11.4	174.3	53.1	0	0	0	0	113.7
279	T	55.8	Low	83.1	Confident	128 Å²	128	67.7 Å²	67.7	79%	0.785	38%	0.383	S	S	*	.	S	Bend	trans	-121.4	-17.3	-172.7	52.3	0	0	0	0	114.4	S277	S277-T279 PolarHBondContact O-N 2.84Å
280	S	68.9	Low	82.4	Confident	42 Å²	42	69.1 Å²	69.1	29%	0.294	38%	0.379	S	S	.	.			trans	-158.4	126	169.7	81.1	0	0	0	0	112.8	S277	S277-S280 PolarHBondContact N-O 2.86Å; S277-S280 PolarHBondContact OG-N 2.76Å; S277-S280 PolarHBondContact OG-O 2.78Å
281	S	85.9	Confident	81.6	Confident	40 Å²	40	69.9 Å²	69.9	28%	0.28	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.1	164.1	-66	0	0	0	0	110	S234 D275 W283	S234-S281 WeakPolarHBondContact CA-O 3.25Å; D275-S281 WeakPolarHBondContact O-CA 3.44Å; S281-W283 VanDerWaalsContact CB-CH2 3.41Å; S281-W283 VanDerWaalsContact O-CZ3 3.24Å; S281-W283 WeakPolarHBondContact O-CZ3 3.38Å
282	K	92.2	Very high	80.8	Confident	67 Å²	67	74.1 Å²	74.1	29%	0.291	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.8	177.4	-63.3	-174.7	-179.1	175.9	0	112.6	P232 F233 L273 V274 D275	P232-K282 HydrophobicContact CB-CB 3.96Å; P232-K282 HydrophobicContact CB-CD 4.36Å; F233-K282 CarbonylContact O-C 3.53Å; F233-K282 VanDerWaalsContact O-CA 3.27Å; F233-K282 WeakPolarHBondContact O-CA 3.38Å; L273-K282 WeakPolarHBondContact CD1-O 3.27Å; V274-K282 HydrophobicContact CG2-CB 4.38Å; V274-K282 WeakPolarHBondContact CG2-O 3.24Å; V274-K282 PolarHBondContact N-O 3.49Å; D275-K282 HydrophobicContact CB-CB 4.33Å; D275-K282 PolarHBondContact O-N 3.3Å; D275-K282 VanDerWaalsContact O-N 3.1Å
283	W	93.5	Very high	79.9	Confident	19 Å²	19	75.3 Å²	75.3	7%	0.072	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.4	-178.8	-63.4	-97.8	0	0	0	111.8	P232 F233 L262 E266 I271 T272 L273 S281	P232-W283 CarbonylContact C-O 3.54Å; P232-W283 VanDerWaalsContact CA-O 3.26Å; P232-W283 WeakPolarHBondContact CA-O 3.46Å; F233-W283 PolarHBondContact N-O 3.13Å; F233-W283 PolarHBondContact O-N 3.23Å; L262-W283 HydrophobicContact CB-CD2 4.47Å; L262-W283 HydrophobicContact CD1-CD2 3.85Å; L262-W283 HydrophobicContact CD1-CE3 3.65Å; L262-W283 HydrophobicContact CD1-CH2 4.06Å; L262-W283 HydrophobicContact CD1-CZ2 4.25Å; L262-W283 HydrophobicContact CD1-CZ3 3.77Å; L262-W283 HydrophobicContact CD2-CG 4.45Å; E266-W283 PolarHBondContact OE2-NE1 3.38Å; I271-W283 HydrophobicContact CD1-CB 4.01Å; I271-W283 HydrophobicContact CD1-CG 3.98Å; T272-W283 WeakPolarHBondContact O-CA 3.05Å; L273-W283 HydrophobicContact CD1-CD2 4.07Å; L273-W283 HydrophobicContact CD1-CG 4.42Å; L273-W283 HydrophobicContact CD1-CZ2 3.99Å; S281-W283 VanDerWaalsContact CB-CH2 3.41Å; S281-W283 VanDerWaalsContact O-CZ3 3.24Å; S281-W283 WeakPolarHBondContact O-CZ3 3.38Å
284	R	92.8	Very high	79.1	Confident	108 Å²	108	77.3 Å²	77.3	41%	0.408	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.7	176.4	-176.4	179.4	63	-167.6	-3.8	110.5	G230 I271 T272 V274	G230-R284 WeakPolarHBondContact O-CD 3.45Å; G230-R284 WeakPolarHBondContact O-CG 3.41Å; I271-R284 CarbonylContact C-O 3.53Å; I271-R284 WeakPolarHBondContact CA-O 3.32Å; I271-R284 WeakPolarHBondContact CB-O 3.29Å; T272-R284 PolarHBondContact N-O 2.94Å; T272-R284 PolarHBondContact O-N 2.88Å; V274-R284 HydrophobicContact CG1-CB 3.92Å; V274-R284 HydrophobicContact CG2-CB 4.31Å
285	S	92.1	Very high	78.5	Confident	17 Å²	17	78.9 Å²	78.9	12%	0.119	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	139.3	171.9	-170.2	0	0	0	0	111.3	V225 L287	V225-S285 VanDerWaalsContact CG1-N 3.26Å; S285-L287 PolarHBondContact OG-N 3.4Å; S285-L287 PolarHBondContact OG-O 3.04Å
286	N	90.3	Very high	78.8	Confident	78 Å²	78	79.1 Å²	79.1	42%	0.417	44%	0.435	S	S	.	.			trans	-98.4	-10.9	162.5	-63	-20	0	0	0	112.4	G269 K270 I271 T272	G269-N286 PolarHBondContact O-ND2 3.33Å; K270-N286 WeakPolarHBondContact O-CB 3.21Å; K270-N286 PolarHBondContact O-N 2.94Å; I271-N286 VanDerWaalsContact C-ND2 3.33Å; I271-N286 PolarHBondContact O-ND2 3.1Å; T272-N286 WeakPolarHBondContact CB-OD1 3.38Å; T272-N286 PolarHBondContact OG1-ND2 2.88Å; T272-N286 PolarHBondContact OG1-OD1 2.92Å
287	L	84.8	Confident	79.8	Confident	142 Å²	142	73.1 Å²	73.1	74%	0.743	41%	0.414	S	S	*	.			trans	-85.9	0	176.2	-54.6	176	0	0	0	111	L222 K270 S285	L222-L287 HydrophobicContact CD2-CD1 4.19Å; K270-L287 HydrophobicContact CB-CD1 4.38Å; K270-L287 HydrophobicContact CG-CD1 4.45Å; S285-L287 PolarHBondContact OG-N 3.4Å; S285-L287 PolarHBondContact OG-O 3.04Å

Retrieved 287 of 287 residues in 149.4 ms (Link to these results)

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