PBLD_HUMAN Loading...

Phenazine biosynthesis-like domain-containing protein

Functions as a positive regulator of the antiviral immune response by modulating innate immunity and viral replication by enhancing type I interferon (IFN-I) response^1,2,3. PBLD enhances IFN-I signaling via multiple pathways^4,5,6. Promotes IRF3-mediated IFN-I production and apoptosis, thereby inhibiting viral replication⁷. Upregulates IFN-I response by activating the NF-kappaB signaling pathway, potentially through inhibition of TRIM21-mediated degradation of phosphorylated IKKbeta, thereby sustaining NF-kappaB activation to counteract viral infection⁸. Additionally, promotes the p53-USP4-MAVS signaling axis by stabilizing MAVS through USP4-mediated deubiquitination, thereby enhancing the IFN-I response against RNA virus infection⁹. Acts as a tumor suppressor, regulating development of various cancers^10,11.

AlphaFold DB , UniProt , Accession P30039, Species HUMAN (Homo sapiens, Human), Gene PBLD, Length 288 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85	Confident	96.1	Very high	96 Å²	96	32.8 Å²	32.8	47%	0.473	16%	0.159	S	C	.	.				0	145.5	0	-179.1	-167.3	-62	0	0	109.8	L30 M34 A288	M1-L30 HydrophobicContact CE-CD1 3.12Å; M1-L30 HydrophobicContact SD-CD1 3.36Å; M1-L30 WeakPolarHBondContact SD-CD1 3.37Å; M1-M34 HydrophobicContact CE-CB 4.43Å; M1-M34 HydrophobicContact CE-CG 4.02Å; M1-A288 WeakPolarHBondContact CA-O 3.48Å; M1-A288 WeakPolarHBondContact CB-O 3.38Å; M1-A288 PolarHBondContact N-O 2.91Å; M1-A288 PolarHBondContact O-N 2.8Å
2	K	91.7	Very high	96.2	Very high	169 Å²	169	31.3 Å²	31.3	74%	0.735	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.5	169.8	-72.8	-173.1	177.9	-175.9	0	109.2	T285 L286	K2-T285 HydrophobicContact CB-CG2 3.86Å; K2-T285 HydrophobicContact CG-CG2 4.26Å; K2-L286 WeakPolarHBondContact CA-O 3.14Å
3	L	94.2	Very high	96.1	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.5	-172.9	178.6	63.6	0	0	0	110.6	I5 C24 L25 L26 I38 T285 L286	L3-I5 PolarHBondContact O-N 3.2Å; L3-C24 HydrophobicContact CD1-CB 4.33Å; L3-C24 HydrophobicContact CD2-CB 3.69Å; L3-C24 HydrophobicContact CG-CB 4.1Å; L3-L25 WeakPolarHBondContact CD1-O 3.49Å; L3-L26 HydrophobicContact CD1-CD2 3.49Å; L3-L26 VanDerWaalsContact CD1-CD2 3.49Å; L3-L26 HydrophobicContact CD2-CD2 4.1Å; L3-L26 HydrophobicContact CG-CD2 4.46Å; L3-I38 HydrophobicContact CD2-CD1 3.99Å; L3-T285 CarbonylContact O-C 3.55Å; L3-T285 WeakPolarHBondContact O-CA 3.2Å; L3-L286 HydrophobicContact CB-CB 4.32Å; L3-L286 PolarHBondContact N-O 3.12Å; L3-L286 PolarHBondContact O-N 2.6Å
4	P	97.5	Very high	96.1	Very high	41 Å²	41	46.9 Å²	46.9	27%	0.266	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	125.6	170.6	-21.3	32.4	0	0	0	110.1	F6 C24 L25	P4-F6 HydrophobicContact CB-CE2 4.14Å; P4-C24 WeakPolarHBondContact O-CA 3.39Å; P4-L25 HydrophobicContact CB-CB 4.22Å; P4-L25 HydrophobicContact CG-CB 4.46Å; P4-L25 PolarHBondContact O-N 3.05Å; P4-L25 VanDerWaalsContact O-N 3.07Å
5	I	98.2	Very high	96.2	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.2	-178.1	-168.3	165.6	0	0	0	110.6	L3 V23 M42 E283 G284 L286	L3-I5 PolarHBondContact O-N 3.2Å; I5-V23 CarbonylContact C-O 3.45Å; I5-V23 WeakPolarHBondContact CA-O 3.2Å; I5-M42 HydrophobicContact CD1-CE 4.06Å; I5-M42 HydrophobicContact CD1-CG 4.09Å; I5-M42 HydrophobicContact CD1-SD 3.49Å; I5-M42 WeakPolarHBondContact CD1-SD 3.43Å; I5-E283 CarbonylContact O-C 3.57Å; I5-E283 WeakPolarHBondContact O-CA 3.39Å; I5-G284 PolarHBondContact N-O 3.2Å; I5-G284 PolarHBondContact O-N 3.19Å; I5-L286 HydrophobicContact CB-CB 4.29Å; I5-L286 HydrophobicContact CD1-CB 4.37Å; I5-L286 HydrophobicContact CD1-CD1 3.89Å; I5-L286 HydrophobicContact CG2-CB 4.05Å
6	F	98.7	Very high	96.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.3	179.2	-53.4	-99.5	0	0	0	109.2	P4 A22 V23 L25 V89 K93 I94 V280 L282 E283	P4-F6 HydrophobicContact CB-CE2 4.14Å; F6-A22 CarbonylContact O-C 3.54Å; F6-A22 WeakPolarHBondContact O-CA 3.24Å; F6-V23 HydrophobicContact CB-CB 4.42Å; F6-V23 PolarHBondContact N-O 2.93Å; F6-V23 PolarHBondContact O-N 3.07Å; F6-L25 HydrophobicContact CE2-CD1 3.74Å; F6-L25 HydrophobicContact CE2-CG 3.96Å; F6-L25 HydrophobicContact CZ-CD1 4.24Å; F6-V89 HydrophobicContact CB-CG2 3.67Å; F6-V89 HydrophobicContact CD1-CG1 4.13Å; F6-V89 HydrophobicContact CD1-CG2 4.32Å; F6-V89 HydrophobicContact CD2-CG1 3.52Å; F6-V89 HydrophobicContact CD2-CG2 4.23Å; F6-V89 HydrophobicContact CE1-CG1 4.2Å; F6-V89 HydrophobicContact CE2-CG1 3.65Å; F6-V89 HydrophobicContact CG-CB 4.5Å; F6-V89 HydrophobicContact CG-CG1 3.79Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 3.99Å; F6-K93 HydrophobicContact CD1-CB 4.38Å; F6-K93 HydrophobicContact CD1-CG 4.1Å; F6-K93 HydrophobicContact CE1-CB 3.83Å; F6-K93 HydrophobicContact CE1-CG 3.99Å; F6-I94 HydrophobicContact CZ-CD1 4.21Å; F6-V280 HydrophobicContact CB-CG1 4.32Å; F6-V280 HydrophobicContact CD1-CG1 4.22Å; F6-L282 CarbonylContact C-O 3.56Å; F6-L282 WeakPolarHBondContact CA-O 3.16Å; F6-E283 HydrophobicContact CD1-CB 3.86Å; F6-E283 HydrophobicContact CD1-CG 3.79Å; F6-E283 HydrophobicContact CE1-CB 4.08Å; F6-E283 VanDerWaalsContact CE1-CD 3.48Å; F6-E283 HydrophobicContact CE1-CG 3.48Å; F6-E283 VanDerWaalsContact CE1-CG 3.48Å; F6-E283 HydrophobicContact CZ-CG 4.32Å
7	I	98.6	Very high	96.3	Very high	30 Å²	30	57.1 Å²	57.1	15%	0.154	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.2	161.9	-57.9	176.5	0	0	0	107	A21 M42 L44 V280 V281 L282	I7-A21 WeakPolarHBondContact CA-O 3.49Å; I7-M42 HydrophobicContact CD1-CE 3.83Å; I7-M42 HydrophobicContact CG1-CE 4.04Å; I7-L44 HydrophobicContact CD1-CD1 4.48Å; I7-L44 HydrophobicContact CG1-CD1 4.4Å; I7-L44 HydrophobicContact CG2-CD1 4.02Å; I7-V280 CarbonylContact O-C 3.58Å; I7-V281 HydrophobicContact CB-CG2 3.94Å; I7-V281 HydrophobicContact CG2-CG2 3.72Å; I7-V281 WeakPolarHBondContact O-CG2 3.49Å; I7-V281 PolarHBondContact O-N 3.36Å; I7-L282 HydrophobicContact CB-CB 3.9Å; I7-L282 HydrophobicContact CD1-CB 4.12Å; I7-L282 HydrophobicContact CD1-CD1 4.2Å; I7-L282 HydrophobicContact CD1-CD2 4.45Å; I7-L282 HydrophobicContact CD1-CG 4.5Å; I7-L282 HydrophobicContact CG1-CB 4.04Å; I7-L282 HydrophobicContact CG1-CD2 4.31Å; I7-L282 PolarHBondContact N-O 3.46Å; I7-L282 PolarHBondContact O-N 2.81Å
8	A	98.6	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.3	178.2	0	0	0	0	0	111	A21 A85 A279 V280	A8-A21 PolarHBondContact N-O 2.91Å; A8-A21 PolarHBondContact O-N 2.91Å; A8-A85 HydrophobicContact CB-CB 3.94Å; A8-A279 CarbonylContact C-O 3.56Å; A8-A279 WeakPolarHBondContact CA-O 3.35Å; A8-V280 HydrophobicContact CB-CG2 4.05Å
9	D	98.4	Very high	96.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	106.1	174.5	-71	-31.1	0	0	0	109	T12 F16 R17 P20 R258 A278 A279 V281	D9-T12 HydrophobicContact CB-CG2 3.73Å; D9-F16 WeakPolarHBondContact OD2-CA 3.29Å; D9-F16 PolarHBondContact OD2-N 2.99Å; D9-R17 VanDerWaalsContact CB-O 3.29Å; D9-R17 WeakPolarHBondContact CB-O 3.29Å; D9-P20 WeakPolarHBondContact OD1-CB 3.36Å; D9-R258 IonicContact OD1-CZ 2.75Å; D9-R258 IonicContact OD1-NH2 2.79Å; D9-R258 PolarHBondContact OD1-NH2 3.28Å; D9-R258 IonicContact OD2-NH2 3.88Å; D9-R258 PolarHBondContact OD2-NH2 3.3Å; D9-A278 VanDerWaalsContact O-CA 3.25Å; D9-A278 WeakPolarHBondContact O-CA 3.36Å; D9-A279 HydrophobicContact CB-CB 4.36Å; D9-A279 PolarHBondContact N-O 3.42Å; D9-A279 PolarHBondContact O-N 2.98Å; D9-V281 VanDerWaalsContact OD2-CG1 3.27Å; D9-V281 WeakPolarHBondContact OD2-CG1 3.36Å
10	A	98.4	Very high	96.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	153.9	-179.5	0	0	0	0	0	112.6	T12 G18 N19 H81 L84	A10-T12 VanDerWaalsContact C-N 3.27Å; A10-T12 PolarHBondContact O-N 3.47Å; A10-G18 CarbonylContact O-C 3.54Å; A10-G18 WeakPolarHBondContact O-CA 3.28Å; A10-N19 WeakPolarHBondContact CB-O 3.21Å; A10-N19 PolarHBondContact N-O 3.35Å; A10-N19 PolarHBondContact O-N 3.33Å; A10-H81 HydrophobicContact CB-CB 3.94Å; A10-H81 WeakPolarHBondContact CB-O 3.47Å; A10-L84 HydrophobicContact CB-CB 4.26Å; A10-L84 HydrophobicContact CB-CD2 3.94Å
11	F	97.8	Very high	96.6	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	32.5	-177.6	-56	-69.4	0	0	0	114.1	H81 L84 V229 G260 E261 L262 I274 G277	F11-H81 HydrophobicContact CD2-CB 3.96Å; F11-H81 HydrophobicContact CE2-CB 3.53Å; F11-L84 HydrophobicContact CD1-CD1 3.85Å; F11-L84 HydrophobicContact CE1-CD1 3.49Å; F11-L84 VanDerWaalsContact CE1-CD1 3.49Å; F11-L84 HydrophobicContact CZ-CD1 3.95Å; F11-V229 HydrophobicContact CB-CB 4.05Å; F11-V229 HydrophobicContact CB-CG1 3.63Å; F11-V229 HydrophobicContact CB-CG2 4.09Å; F11-V229 HydrophobicContact CD1-CG1 4.48Å; F11-V229 HydrophobicContact CD2-CB 3.79Å; F11-V229 HydrophobicContact CD2-CG1 3.48Å; F11-V229 VanDerWaalsContact CD2-CG1 3.48Å; F11-V229 HydrophobicContact CE2-CG1 4.23Å; F11-V229 HydrophobicContact CG-CB 4.23Å; F11-V229 HydrophobicContact CG-CG1 3.62Å; F11-G260 VanDerWaalsContact O-CA 3.3Å; F11-G260 WeakPolarHBondContact O-CA 3.19Å; F11-E261 PolarHBondContact O-N 2.58Å; F11-L262 HydrophobicContact CD1-CD2 3.71Å; F11-L262 HydrophobicContact CD1-CG 3.8Å; F11-L262 HydrophobicContact CE1-CD2 3.73Å; F11-L262 HydrophobicContact CE1-CG 4.28Å; F11-L262 HydrophobicContact CG-CD2 4.24Å; F11-L262 HydrophobicContact CG-CG 4.3Å; F11-L262 HydrophobicContact CZ-CD2 4.22Å; F11-I274 HydrophobicContact CE1-CG2 3.75Å; F11-I274 HydrophobicContact CZ-CG2 4.32Å; F11-G277 WeakPolarHBondContact CA-O 3.23Å; F11-G277 PolarHBondContact N-O 3.28Å
12	T	97.2	Very high	97.3	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.086	21%	0.211	C	C	.	.			trans	-156.2	153.6	173.6	-168.7	0	0	0	0	111.2	D9 A10 R14 R17 G277 A278 A279	D9-T12 HydrophobicContact CB-CG2 3.73Å; A10-T12 VanDerWaalsContact C-N 3.27Å; A10-T12 PolarHBondContact O-N 3.47Å; T12-R14 WeakPolarHBondContact CG2-O 3.23Å; T12-R14 PolarHBondContact OG1-N 3.09Å; T12-R14 VanDerWaalsContact OG1-N 3.12Å; T12-R14 PolarHBondContact OG1-O 2.9Å; T12-R17 VanDerWaalsContact CG2-C 3.47Å; T12-R17 HydrophobicContact CG2-CB 4Å; T12-R17 WeakPolarHBondContact CG2-O 3.34Å; T12-R17 WeakPolarHBondContact OG1-CB 3.47Å; T12-G277 PolarHBondContact N-O 3.49Å; T12-G277 VanDerWaalsContact N-O 3.12Å; T12-G277 CarbonylContact O-C 3.55Å; T12-A278 CarbonylContact O-C 3.51Å; T12-A278 WeakPolarHBondContact O-CA 3.44Å; T12-A278 PolarHBondContact O-N 3.14Å; T12-A279 PolarHBondContact O-N 2.84Å
13	A	94.6	Very high	97.6	Very high	89 Å²	89	34.4 Å²	34.4	74%	0.736	18%	0.176	S	C	*	.	S	Bend	trans	-95.4	-2.3	167.1	0	0	0	0	0	112.6
14	R	96.6	Very high	97.8	Very high	192 Å²	192	34 Å²	34	73%	0.725	17%	0.174	S	C	*	.	S	Bend	trans	-113.9	135.1	-173.2	-61.8	-178.4	-176.3	-178.4	2.3	110.4	T12 R17	T12-R14 WeakPolarHBondContact CG2-O 3.23Å; T12-R14 PolarHBondContact OG1-N 3.09Å; T12-R14 VanDerWaalsContact OG1-N 3.12Å; T12-R14 PolarHBondContact OG1-O 2.9Å; R14-R17 HydrophobicContact CB-CB 4.33Å; R14-R17 HydrophobicContact CB-CG 4.03Å; R14-R17 WeakPolarHBondContact O-CB 3.16Å; R14-R17 PolarHBondContact O-N 3.31Å
15	A	97.3	Very high	97.9	Very high	47 Å²	47	32.2 Å²	32.2	39%	0.388	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	145.6	172.1	0	0	0	0	0	111.3	R17 V281	A15-R17 PolarHBondContact O-N 2.85Å; A15-V281 HydrophobicContact CB-CG1 3.57Å
16	F	96.6	Very high	97.8	Very high	151 Å²	151	32.2 Å²	32.2	66%	0.662	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	18.7	178.3	-38	-61.1	0	0	0	114.5	D9 R258	D9-F16 WeakPolarHBondContact OD2-CA 3.29Å; D9-F16 PolarHBondContact OD2-N 2.99Å; F16-R258 VanDerWaalsContact C-CZ 3.49Å; F16-R258 PolarHBondContact O-NH1 2.75Å
17	R	97.9	Very high	97.5	Very high	117 Å²	117	36.7 Å²	36.7	44%	0.442	18%	0.183	S	C	.	.			trans	-118.4	180	173.2	-61.9	-69.2	179.9	-179.6	-1	109.3	D9 T12 R14 A15 H257 R258	D9-R17 VanDerWaalsContact CB-O 3.29Å; D9-R17 WeakPolarHBondContact CB-O 3.29Å; T12-R17 VanDerWaalsContact CG2-C 3.47Å; T12-R17 HydrophobicContact CG2-CB 4Å; T12-R17 WeakPolarHBondContact CG2-O 3.34Å; T12-R17 WeakPolarHBondContact OG1-CB 3.47Å; R14-R17 HydrophobicContact CB-CB 4.33Å; R14-R17 HydrophobicContact CB-CG 4.03Å; R14-R17 WeakPolarHBondContact O-CB 3.16Å; R14-R17 PolarHBondContact O-N 3.31Å; A15-R17 PolarHBondContact O-N 2.85Å; R17-H257 PolarHBondContact NH1-O 2.84Å; R17-R258 WeakPolarHBondContact CD-O 3.26Å; R17-R258 PolarHBondContact NH1-O 3.42Å; R17-R258 PolarHBondContact O-NH2 2.9Å
18	G	97.6	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	63.8	-156	179	0	0	0	0	0	113.7	A10 P228 R258 G259	A10-G18 CarbonylContact O-C 3.54Å; A10-G18 WeakPolarHBondContact O-CA 3.28Å; G18-P228 WeakPolarHBondContact O-CB 3.45Å; G18-R258 WeakPolarHBondContact O-CB 3.46Å; G18-R258 WeakPolarHBondContact O-CD 3.49Å; G18-R258 PolarHBondContact O-NE 2.89Å; G18-G259 VanDerWaalsContact CA-O 3.28Å; G18-G259 WeakPolarHBondContact CA-O 3.43Å; G18-G259 PolarHBondContact N-O 3.15Å
19	N	97.8	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.4	-179.8	-155.2	-15.8	0	0	0	111.4	A10 S45 H81 D227 P228 V229	A10-N19 WeakPolarHBondContact CB-O 3.21Å; A10-N19 PolarHBondContact N-O 3.35Å; A10-N19 PolarHBondContact O-N 3.33Å; N19-S45 PolarHBondContact OD1-OG 3.19Å; N19-H81 HydrophobicContact CB-CB 4.01Å; N19-H81 PolarHBondContact ND2-CE1 2.82Å; N19-H81 PolarHBondContact ND2-ND1 3.42Å; N19-D227 PolarHBondContact ND2-OD1 3.33Å; N19-D227 PolarHBondContact ND2-OD2 3.43Å; N19-P228 HydrophobicContact CB-CB 4.04Å; N19-V229 HydrophobicContact CB-CB 4.08Å; N19-V229 HydrophobicContact CB-CG2 4.47Å; N19-V229 PolarHBondContact ND2-N 2.71Å; N19-V229 PolarHBondContact ND2-O 3.33Å
20	P	98	Very high	96.4	Very high	16 Å²	16	51.9 Å²	51.9	10%	0.104	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.3	-177.2	29.9	-33.3	0	0	0	111.3	D9 L44	D9-P20 WeakPolarHBondContact OD1-CB 3.36Å; P20-L44 HydrophobicContact CB-CD1 4.45Å; P20-L44 HydrophobicContact CB-CD2 4.21Å; P20-L44 HydrophobicContact CG-CD2 4.22Å
21	A	98.6	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.1	168.9	0	0	0	0	0	111	I7 A8 E46 A82 A85	I7-A21 WeakPolarHBondContact CA-O 3.49Å; A8-A21 PolarHBondContact N-O 2.91Å; A8-A21 PolarHBondContact O-N 2.91Å; A21-E46 WeakPolarHBondContact CA-O 3.48Å; A21-A82 HydrophobicContact CB-CB 3.85Å; A21-A85 HydrophobicContact CB-CB 3.85Å
22	A	98.7	Very high	95.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142.4	165.3	0	0	0	0	0	109	F6 M42 L44 E46 T47 A48	F6-A22 CarbonylContact O-C 3.54Å; F6-A22 WeakPolarHBondContact O-CA 3.24Å; A22-M42 HydrophobicContact CB-CB 4.16Å; A22-M42 HydrophobicContact CB-CE 4.03Å; A22-M42 HydrophobicContact CB-CG 3.92Å; A22-L44 HydrophobicContact CB-CD1 4.04Å; A22-E46 PolarHBondContact N-O 3Å; A22-E46 VanDerWaalsContact N-O 3.11Å; A22-T47 HydrophobicContact CB-CG2 3.86Å; A22-T47 CarbonylContact O-C 3.6Å; A22-T47 WeakPolarHBondContact O-CA 3.19Å; A22-A48 PolarHBondContact O-N 2.62Å
23	V	98.8	Very high	95.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.6	178.4	-179.3	0	0	0	0	108.9	I5 F6 A48 I50 A85 V89	I5-V23 CarbonylContact C-O 3.45Å; I5-V23 WeakPolarHBondContact CA-O 3.2Å; F6-V23 HydrophobicContact CB-CB 4.42Å; F6-V23 PolarHBondContact N-O 2.93Å; F6-V23 PolarHBondContact O-N 3.07Å; V23-A48 CarbonylContact C-O 3.6Å; V23-A48 WeakPolarHBondContact CA-O 3.37Å; V23-A48 HydrophobicContact CG2-CB 4.32Å; V23-I50 HydrophobicContact CG1-CD1 3.52Å; V23-I50 HydrophobicContact CG1-CG1 4.16Å; V23-A85 HydrophobicContact CG2-CB 3.87Å; V23-V89 HydrophobicContact CB-CG2 3.97Å; V23-V89 HydrophobicContact CG1-CB 4.14Å; V23-V89 HydrophobicContact CG1-CG1 4.29Å; V23-V89 HydrophobicContact CG1-CG2 4.03Å; V23-V89 HydrophobicContact CG2-CG2 4.13Å
24	C	98.6	Very high	95.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.2	-178.9	-70.3	0	0	0	0	110.5	L3 P4 A48 F49 I50	L3-C24 HydrophobicContact CD1-CB 4.33Å; L3-C24 HydrophobicContact CD2-CB 3.69Å; L3-C24 HydrophobicContact CG-CB 4.1Å; P4-C24 WeakPolarHBondContact O-CA 3.39Å; C24-A48 PolarHBondContact N-O 2.78Å; C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.92Å; C24-F49 HydrophobicContact CB-CG 4.35Å; C24-I50 PolarHBondContact O-N 3.44Å
25	L	98.2	Very high	95.7	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.4	176.2	-59.9	-177.1	0	0	0	110.9	L3 P4 F6 E27 I50 F59 V89 L90 I94	L3-L25 WeakPolarHBondContact CD1-O 3.49Å; P4-L25 HydrophobicContact CB-CB 4.22Å; P4-L25 HydrophobicContact CG-CB 4.46Å; P4-L25 PolarHBondContact O-N 3.05Å; P4-L25 VanDerWaalsContact O-N 3.07Å; F6-L25 HydrophobicContact CE2-CD1 3.74Å; F6-L25 HydrophobicContact CE2-CG 3.96Å; F6-L25 HydrophobicContact CZ-CD1 4.24Å; L25-E27 PolarHBondContact O-N 2.98Å; L25-I50 HydrophobicContact CD2-CB 3.97Å; L25-I50 HydrophobicContact CD2-CD1 3.58Å; L25-I50 HydrophobicContact CD2-CG1 4.29Å; L25-I50 HydrophobicContact CD2-CG2 4.5Å; L25-F59 HydrophobicContact CB-CD2 4.29Å; L25-F59 HydrophobicContact CB-CE1 4.47Å; L25-F59 HydrophobicContact CB-CE2 3.8Å; L25-F59 HydrophobicContact CB-CZ 3.9Å; L25-F59 HydrophobicContact CD1-CD2 4.36Å; L25-F59 HydrophobicContact CD1-CG 4.49Å; L25-F59 HydrophobicContact CD2-CD1 4.19Å; L25-F59 HydrophobicContact CD2-CE1 4.14Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L25-V89 HydrophobicContact CD1-CG1 4.43Å; L25-V89 HydrophobicContact CD2-CG1 4.42Å; L25-L90 HydrophobicContact CD2-CD2 4.2Å; L25-I94 HydrophobicContact CD1-CD1 3.51Å; L25-I94 HydrophobicContact CD1-CG1 3.69Å
26	L	96.9	Very high	95.7	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.9	-178.1	-57.2	-168.7	0	0	0	110.9	L3 N28 L30 F49 I50 R51 F59	L3-L26 HydrophobicContact CD1-CD2 3.49Å; L3-L26 VanDerWaalsContact CD1-CD2 3.49Å; L3-L26 HydrophobicContact CD2-CD2 4.1Å; L3-L26 HydrophobicContact CG-CD2 4.46Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-L30 HydrophobicContact CD1-CB 3.95Å; L26-L30 HydrophobicContact CD1-CD2 4.5Å; L26-L30 HydrophobicContact CD2-CB 4.11Å; L26-L30 HydrophobicContact CD2-CD2 3.95Å; L26-F49 HydrophobicContact CD1-CB 4.03Å; L26-F49 HydrophobicContact CD2-CD1 4.01Å; L26-F49 HydrophobicContact CG-CB 4.29Å; L26-F49 HydrophobicContact CG-CD1 4.5Å; L26-I50 WeakPolarHBondContact CB-O 3.48Å; L26-I50 PolarHBondContact N-O 2.89Å; L26-R51 HydrophobicContact CB-CB 4.07Å; L26-R51 HydrophobicContact CD1-CB 4.21Å; L26-F59 WeakPolarHBondContact O-CZ 3.45Å
27	E	92	Very high	95.7	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	25%	0.245	S	C	.	.	S	Bend	trans	-68.8	-33.7	171.4	-71.7	-65.5	162.1	0	0	112.3	L25 K52 F59	L25-E27 PolarHBondContact O-N 2.98Å; E27-K52 VanDerWaalsContact OE2-CE 3.26Å; E27-K52 WeakPolarHBondContact OE2-CE 3.21Å; E27-K52 IonicContact OE2-NZ 2.62Å; E27-K52 PolarHBondContact OE2-NZ 2.86Å; E27-F59 WeakPolarHBondContact OE1-CE2 3.31Å
28	N	90.1	Very high	95.7	Very high	137 Å²	137	46 Å²	46	73%	0.733	23%	0.226	S	C	*	.	S	Bend	trans	-130.3	168.7	177	-59.6	-64.5	0	0	0	109.6	L26	L26-N28 VanDerWaalsContact C-N 3.33Å
29	E	89.6	Confident	95.7	Very high	199 Å²	199	46 Å²	46	93%	0.93	23%	0.226	S	C	*	.			trans	-56.1	143.5	171	-67.8	-174.5	164.9	0	0	111
30	L	93.6	Very high	95.6	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.084	25%	0.252	C	S	.	.			trans	-115	133.5	-180	178.7	66.7	0	0	0	107.6	M1 L26 E32 M34 H35 I38 F49	M1-L30 HydrophobicContact CE-CD1 3.12Å; M1-L30 HydrophobicContact SD-CD1 3.36Å; M1-L30 WeakPolarHBondContact SD-CD1 3.37Å; L26-L30 HydrophobicContact CD1-CB 3.95Å; L26-L30 HydrophobicContact CD1-CD2 4.5Å; L26-L30 HydrophobicContact CD2-CB 4.11Å; L26-L30 HydrophobicContact CD2-CD2 3.95Å; L30-E32 PolarHBondContact O-N 2.81Å; L30-M34 HydrophobicContact CD1-CB 3.63Å; L30-M34 HydrophobicContact CD1-CG 4.27Å; L30-M34 HydrophobicContact CD2-CB 4.22Å; L30-M34 HydrophobicContact CG-CB 3.82Å; L30-H35 PolarHBondContact O-CE1 2.93Å; L30-H35 VanDerWaalsContact O-CE1 3.31Å; L30-I38 HydrophobicContact CD2-CD1 4.09Å; L30-F49 HydrophobicContact CD2-CD1 3.95Å; L30-F49 HydrophobicContact CD2-CE1 3.82Å
31	D	92.8	Very high	95.6	Very high	109 Å²	109	59.5 Å²	59.5	58%	0.583	28%	0.282	S	S	*	.			trans	-54.1	141	177	-61.6	-31	0	0	0	110.8	D33 M34 H35	D31-D33 VanDerWaalsContact C-N 3.27Å; D31-D33 PolarHBondContact O-N 3.49Å; D31-M34 HydrophobicContact CB-CB 4.39Å; D31-M34 HydrophobicContact CB-CG 3.9Å; D31-M34 WeakPolarHBondContact O-CB 3.42Å; D31-M34 PolarHBondContact O-N 2.96Å; D31-H35 PolarHBondContact O-ND1 3.26Å; D31-H35 VanDerWaalsContact O-ND1 3.11Å
32	E	91.4	Very high	95.4	Very high	120 Å²	120	61.6 Å²	61.6	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-36.7	-172.4	-75.5	-60.6	130.1	0	0	112.7	L30 M34 R68	L30-E32 PolarHBondContact O-N 2.81Å; E32-M34 VanDerWaalsContact C-N 3.33Å; E32-M34 PolarHBondContact O-N 2.82Å; E32-R68 VanDerWaalsContact CD-NH1 3.29Å; E32-R68 IonicContact OE1-CZ 3.45Å; E32-R68 IonicContact OE1-NH1 3.7Å; E32-R68 PolarHBondContact OE1-NH1 3.3Å; E32-R68 IonicContact OE1-NH2 2.71Å; E32-R68 IonicContact OE2-CZ 3.84Å; E32-R68 VanDerWaalsContact OE2-CZ 3.32Å; E32-R68 IonicContact OE2-NH1 3.95Å; E32-R68 PolarHBondContact OE2-NH1 2.97Å; E32-R68 IonicContact OE2-NH2 3.98Å; E32-R68 PolarHBondContact OE2-NH2 2.79Å
33	D	93.1	Very high	95.3	Very high	77 Å²	77	67.4 Å²	67.4	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-73.2	-24.6	178.2	75.6	-49.1	0	0	0	113.2	D31 Q36 K37	D31-D33 VanDerWaalsContact C-N 3.27Å; D31-D33 PolarHBondContact O-N 3.49Å; D33-Q36 PolarHBondContact O-N 3.37Å; D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 2.83Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 2.95Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å
34	M	95.8	Very high	95	Very high	36 Å²	36	69.2 Å²	69.2	18%	0.177	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-34.8	179.7	-71.3	-65.3	126	0	0	112.4	M1 L30 D31 E32 Q36 K37 I38	M1-M34 HydrophobicContact CE-CB 4.43Å; M1-M34 HydrophobicContact CE-CG 4.02Å; L30-M34 HydrophobicContact CD1-CB 3.63Å; L30-M34 HydrophobicContact CD1-CG 4.27Å; L30-M34 HydrophobicContact CD2-CB 4.22Å; L30-M34 HydrophobicContact CG-CB 3.82Å; D31-M34 HydrophobicContact CB-CB 4.39Å; D31-M34 HydrophobicContact CB-CG 3.9Å; D31-M34 WeakPolarHBondContact O-CB 3.42Å; D31-M34 PolarHBondContact O-N 2.96Å; E32-M34 VanDerWaalsContact C-N 3.33Å; E32-M34 PolarHBondContact O-N 2.82Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.09Å; M34-K37 HydrophobicContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-NZ 3.28Å; M34-K37 PolarHBondContact O-N 3.32Å; M34-K37 HydrophobicContact SD-CD 4.15Å; M34-I38 WeakPolarHBondContact O-CB 3.05Å; M34-I38 VanDerWaalsContact O-CG1 3.27Å; M34-I38 WeakPolarHBondContact O-CG1 3.38Å; M34-I38 PolarHBondContact O-N 2.88Å
35	H	97	Very high	94.6	Very high	5 Å²	5	70.8 Å²	70.8	2%	0.023	34%	0.344	C	S	.	.	H	α-helix	trans	-54.9	-49.7	175.1	-67.9	81.1	0	0	0	110.8	L30 D31 A39 F49 F70	L30-H35 PolarHBondContact O-CE1 2.93Å; L30-H35 VanDerWaalsContact O-CE1 3.31Å; D31-H35 PolarHBondContact O-ND1 3.26Å; D31-H35 VanDerWaalsContact O-ND1 3.11Å; H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.85Å; H35-F49 HydrophobicContact CB-CD2 4.5Å; H35-F49 HydrophobicContact CB-CE2 4.06Å; H35-F49 HydrophobicContact CB-CZ 4.19Å; H35-F49 AromaticContact CD2-CD1 3.89Å; H35-F49 AromaticContact CD2-CD2 3.64Å; H35-F49 AromaticContact CD2-CG 3.55Å; H35-F49 WeakPolarHBondContact O-CZ 3.45Å; H35-F70 HydrophobicContact CB-CD1 4.27Å; H35-F70 HydrophobicContact CB-CD2 4.08Å; H35-F70 HydrophobicContact CB-CE1 3.85Å; H35-F70 HydrophobicContact CB-CE2 3.66Å; H35-F70 HydrophobicContact CB-CG 4.37Å; H35-F70 HydrophobicContact CB-CZ 3.52Å; H35-F70 AromaticContact CD2-CE2 3.78Å; H35-F70 AromaticContact CG-CE2 4Å
36	Q	96.6	Very high	94.5	Very high	26 Å²	26	72 Å²	72	12%	0.121	35%	0.35	C	S	.	.	H	α-helix	trans	-70.2	-37.4	-178.4	-170	60.8	74.3	0	0	112.5	D33 M34 A39 R40 F70 T71 P72 A73	D33-Q36 PolarHBondContact O-N 3.37Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.09Å; Q36-A39 PolarHBondContact O-N 2.63Å; Q36-R40 WeakPolarHBondContact O-CG 3.34Å; Q36-R40 PolarHBondContact O-N 3.07Å; Q36-F70 HydrophobicContact CB-CD1 4.47Å; Q36-T71 PolarHBondContact NE2-O 2.91Å; Q36-P72 VanDerWaalsContact NE2-C 3.26Å; Q36-P72 PolarHBondContact NE2-O 3.03Å; Q36-A73 PolarHBondContact OE1-O 2.85Å
37	K	97.3	Very high	94.5	Very high	107 Å²	107	71.6 Å²	71.6	47%	0.465	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-46.6	175.7	-75.7	171.2	177.3	170.1	0	111.6	D33 M34 R40 E41	D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 2.83Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 2.95Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å; M34-K37 HydrophobicContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-CD 3.47Å; M34-K37 VanDerWaalsContact CE-NZ 3.28Å; M34-K37 PolarHBondContact O-N 3.32Å; M34-K37 HydrophobicContact SD-CD 4.15Å; K37-R40 PolarHBondContact O-N 2.96Å; K37-E41 PolarHBondContact O-N 2.86Å
38	I	97.6	Very high	94.8	Very high	7 Å²	7	67 Å²	67	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-44.8	176.6	-67.7	167.1	0	0	0	110.2	L3 L30 M34 R40 E41 M42 T47 F49 L286	L3-I38 HydrophobicContact CD2-CD1 3.99Å; L30-I38 HydrophobicContact CD2-CD1 4.09Å; M34-I38 WeakPolarHBondContact O-CB 3.05Å; M34-I38 VanDerWaalsContact O-CG1 3.27Å; M34-I38 WeakPolarHBondContact O-CG1 3.38Å; M34-I38 PolarHBondContact O-N 2.88Å; I38-R40 VanDerWaalsContact C-N 3.29Å; I38-R40 PolarHBondContact O-N 2.81Å; I38-E41 PolarHBondContact O-N 2.79Å; I38-E41 VanDerWaalsContact O-N 3.15Å; I38-M42 HydrophobicContact CG2-CG 4.25Å; I38-M42 WeakPolarHBondContact O-CG 3.48Å; I38-M42 PolarHBondContact O-N 3.45Å; I38-T47 HydrophobicContact CG2-CG2 4.3Å; I38-F49 HydrophobicContact CB-CE1 4.32Å; I38-F49 HydrophobicContact CB-CZ 4.01Å; I38-F49 HydrophobicContact CD1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.13Å; I38-F49 HydrophobicContact CG2-CZ 3.95Å; I38-L286 HydrophobicContact CB-CD1 4.43Å; I38-L286 HydrophobicContact CD1-CD1 4.42Å; I38-L286 HydrophobicContact CD1-CD2 4.08Å; I38-L286 HydrophobicContact CG1-CD1 4.04Å; I38-L286 HydrophobicContact CG1-CD2 4.2Å; I38-L286 HydrophobicContact CG2-CD1 3.68Å
39	A	96.9	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-37.3	178.7	0	0	0	0	0	112.9	H35 Q36 N43 T47 F70	H35-A39 WeakPolarHBondContact O-CB 3.44Å; H35-A39 PolarHBondContact O-N 2.85Å; Q36-A39 PolarHBondContact O-N 2.63Å; A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.11Å; A39-T47 WeakPolarHBondContact CA-OG1 3.29Å; A39-F70 HydrophobicContact CB-CB 3.51Å
40	R	96.3	Very high	95.7	Very high	144 Å²	144	51 Å²	51	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-43.8	172.5	-76.6	174.5	-168.5	156.5	5	112.6	Q36 K37 I38 N43 P72	Q36-R40 WeakPolarHBondContact O-CG 3.34Å; Q36-R40 PolarHBondContact O-N 3.07Å; K37-R40 PolarHBondContact O-N 2.96Å; I38-R40 VanDerWaalsContact C-N 3.29Å; I38-R40 PolarHBondContact O-N 2.81Å; R40-N43 PolarHBondContact O-N 2.86Å; R40-P72 HydrophobicContact CG-CB 4.33Å; R40-P72 WeakPolarHBondContact CG-O 3.37Å; R40-P72 PolarHBondContact NE-O 3.31Å; R40-P72 VanDerWaalsContact NE-O 3.11Å
41	E	97.4	Very high	95.9	Very high	157 Å²	157	55.2 Å²	55.2	73%	0.734	26%	0.261	S	S	*	.	H	α-helix	trans	-63.6	-43	178.9	-172.1	63.8	-159.1	0	0	111.5	K37 I38 N43	K37-E41 PolarHBondContact O-N 2.86Å; I38-E41 PolarHBondContact O-N 2.79Å; I38-E41 VanDerWaalsContact O-N 3.15Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.9Å
42	M	95.5	Very high	96.1	Very high	44 Å²	44	52 Å²	52	22%	0.217	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-32.6	178.7	-67.4	-49.3	-56.9	0	0	112.7	I5 I7 A22 I38 L44	I5-M42 HydrophobicContact CD1-CE 4.06Å; I5-M42 HydrophobicContact CD1-CG 4.09Å; I5-M42 HydrophobicContact CD1-SD 3.49Å; I5-M42 WeakPolarHBondContact CD1-SD 3.43Å; I7-M42 HydrophobicContact CD1-CE 3.83Å; I7-M42 HydrophobicContact CG1-CE 4.04Å; A22-M42 HydrophobicContact CB-CB 4.16Å; A22-M42 HydrophobicContact CB-CE 4.03Å; A22-M42 HydrophobicContact CB-CG 3.92Å; I38-M42 HydrophobicContact CG2-CG 4.25Å; I38-M42 WeakPolarHBondContact O-CG 3.48Å; I38-M42 PolarHBondContact O-N 3.45Å; M42-L44 PolarHBondContact O-N 3.42Å; M42-L44 VanDerWaalsContact O-N 3.08Å
43	N	94.7	Very high	96.3	Very high	121 Å²	121	48.7 Å²	48.7	65%	0.647	23%	0.228	S	C	*	.			trans	49.3	38	175.6	-163.4	41	0	0	0	114.2	A39 R40 E41	A39-N43 PolarHBondContact O-N 2.93Å; A39-N43 VanDerWaalsContact O-N 3.11Å; R40-N43 PolarHBondContact O-N 2.86Å; E41-N43 VanDerWaalsContact C-N 3.31Å; E41-N43 PolarHBondContact O-N 2.9Å
44	L	93.9	Very high	96.4	Very high	39 Å²	39	50.6 Å²	50.6	20%	0.204	23%	0.234	C	C	.	.	S	Bend	trans	-99.5	172.8	170.1	-64.4	179.8	0	0	0	109.9	I7 P20 A22 M42 E46 P72	I7-L44 HydrophobicContact CD1-CD1 4.48Å; I7-L44 HydrophobicContact CG1-CD1 4.4Å; I7-L44 HydrophobicContact CG2-CD1 4.02Å; P20-L44 HydrophobicContact CB-CD1 4.45Å; P20-L44 HydrophobicContact CB-CD2 4.21Å; P20-L44 HydrophobicContact CG-CD2 4.22Å; A22-L44 HydrophobicContact CB-CD1 4.04Å; M42-L44 PolarHBondContact O-N 3.42Å; M42-L44 VanDerWaalsContact O-N 3.08Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.86Å; L44-P72 WeakPolarHBondContact O-CD 3.44Å
45	S	89.6	Confident	96.3	Very high	33 Å²	33	55.1 Å²	55.1	23%	0.231	27%	0.266	C	S	.	.	S	Bend	trans	-50.4	-52.9	175.5	-49.8	0	0	0	0	110.3	N19 T71	N19-S45 PolarHBondContact OD1-OG 3.19Å; S45-T71 WeakPolarHBondContact O-CA 3.47Å
46	E	95.4	Very high	96.1	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145	176	-77.8	90	152.6	0	0	112.6	A21 A22 L44 W69 F70 T71 V76 C79 H81 A82	A21-E46 WeakPolarHBondContact CA-O 3.48Å; A22-E46 PolarHBondContact N-O 3Å; A22-E46 VanDerWaalsContact N-O 3.11Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.86Å; E46-W69 HydrophobicContact CG-CB 4.37Å; E46-F70 CarbonylContact C-O 3.58Å; E46-F70 WeakPolarHBondContact CA-O 3.44Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; E46-V76 HydrophobicContact CG-CG2 4.24Å; E46-C79 HydrophobicContact CG-CB 4.17Å; E46-C79 PolarHBondContact OE1-SG 2.95Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.39Å; E46-H81 IonicContact OE2-ND1 3.11Å; E46-H81 IonicContact OE2-NE2 3.47Å; E46-H81 PolarHBondContact OE2-NE2 2.98Å; E46-A82 HydrophobicContact CB-CB 3.9Å
47	T	98.4	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.7	163.6	-57.4	0	0	0	0	109	A22 I38 A39 F49 W69 F70	A22-T47 HydrophobicContact CB-CG2 3.86Å; A22-T47 CarbonylContact O-C 3.6Å; A22-T47 WeakPolarHBondContact O-CA 3.19Å; I38-T47 HydrophobicContact CG2-CG2 4.3Å; A39-T47 WeakPolarHBondContact CA-OG1 3.29Å; T47-F49 HydrophobicContact CG2-CD2 4.32Å; T47-F49 HydrophobicContact CG2-CE1 4.24Å; T47-F49 HydrophobicContact CG2-CE2 3.61Å; T47-F49 HydrophobicContact CG2-CZ 3.56Å; T47-W69 WeakPolarHBondContact O-CA 3.47Å; T47-F70 PolarHBondContact N-O 2.88Å; T47-F70 PolarHBondContact O-N 2.95Å
48	A	98.7	Very high	96.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.1	179.4	0	0	0	0	0	110.7	A22 V23 C24 L67 R68 A82 S86	A22-A48 PolarHBondContact O-N 2.62Å; V23-A48 CarbonylContact C-O 3.6Å; V23-A48 WeakPolarHBondContact CA-O 3.37Å; V23-A48 HydrophobicContact CG2-CB 4.32Å; C24-A48 PolarHBondContact N-O 2.78Å; A48-L67 HydrophobicContact CB-CD1 4.03Å; A48-R68 WeakPolarHBondContact CA-O 3.36Å; A48-A82 HydrophobicContact CB-CB 4.23Å; A48-S86 VanDerWaalsContact CB-OG 3.27Å; A48-S86 WeakPolarHBondContact CB-OG 3.39Å
49	F	98.6	Very high	96.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.4	176	-61.8	-91.5	0	0	0	109.1	C24 L26 L30 H35 I38 T47 L67 R68 F70	C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.92Å; C24-F49 HydrophobicContact CB-CG 4.35Å; L26-F49 HydrophobicContact CD1-CB 4.03Å; L26-F49 HydrophobicContact CD2-CD1 4.01Å; L26-F49 HydrophobicContact CG-CB 4.29Å; L26-F49 HydrophobicContact CG-CD1 4.5Å; L30-F49 HydrophobicContact CD2-CD1 3.95Å; L30-F49 HydrophobicContact CD2-CE1 3.82Å; H35-F49 HydrophobicContact CB-CD2 4.5Å; H35-F49 HydrophobicContact CB-CE2 4.06Å; H35-F49 HydrophobicContact CB-CZ 4.19Å; H35-F49 AromaticContact CD2-CD1 3.89Å; H35-F49 AromaticContact CD2-CD2 3.64Å; H35-F49 AromaticContact CD2-CG 3.55Å; H35-F49 WeakPolarHBondContact O-CZ 3.45Å; I38-F49 HydrophobicContact CB-CE1 4.32Å; I38-F49 HydrophobicContact CB-CZ 4.01Å; I38-F49 HydrophobicContact CD1-CE1 4.1Å; I38-F49 HydrophobicContact CG2-CE1 4.13Å; I38-F49 HydrophobicContact CG2-CZ 3.95Å; T47-F49 HydrophobicContact CG2-CD2 4.32Å; T47-F49 HydrophobicContact CG2-CE1 4.24Å; T47-F49 HydrophobicContact CG2-CE2 3.61Å; T47-F49 HydrophobicContact CG2-CZ 3.56Å; F49-L67 WeakPolarHBondContact O-CA 3.45Å; F49-R68 PolarHBondContact N-O 3.36Å; F49-R68 PolarHBondContact O-N 3.17Å; F49-F70 AromaticContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CE2 4.18Å; F49-F70 HydrophobicContact CE2-CB 4.31Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.38Å; F49-F70 HydrophobicContact CE2-CG 4.24Å
50	I	98.7	Very high	96.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.6	177.1	-52.6	166.2	0	0	0	107.4	V23 C24 L25 L26 F59 F65 G66 L67 L90 F103	V23-I50 HydrophobicContact CG1-CD1 3.52Å; V23-I50 HydrophobicContact CG1-CG1 4.16Å; C24-I50 PolarHBondContact O-N 3.44Å; L25-I50 HydrophobicContact CD2-CB 3.97Å; L25-I50 HydrophobicContact CD2-CD1 3.58Å; L25-I50 HydrophobicContact CD2-CG1 4.29Å; L25-I50 HydrophobicContact CD2-CG2 4.5Å; L26-I50 WeakPolarHBondContact CB-O 3.48Å; L26-I50 PolarHBondContact N-O 2.89Å; I50-F59 HydrophobicContact CB-CE1 4.38Å; I50-F59 HydrophobicContact CG2-CD1 4.3Å; I50-F59 HydrophobicContact CG2-CE1 3.83Å; I50-F65 HydrophobicContact CG2-CB 3.75Å; I50-F65 HydrophobicContact CG2-CD1 4.25Å; I50-F65 HydrophobicContact CG2-CG 3.94Å; I50-G66 WeakPolarHBondContact CA-O 3.31Å; I50-L67 HydrophobicContact CG1-CD1 3.88Å; I50-L90 HydrophobicContact CD1-CD1 4.05Å; I50-L90 HydrophobicContact CD1-CD2 4.44Å; I50-L90 HydrophobicContact CD1-CG 4.03Å; I50-L90 HydrophobicContact CG2-CD1 4.28Å; I50-F103 HydrophobicContact CG2-CE1 4.44Å
51	R	97.3	Very high	96.3	Very high	103 Å²	103	59 Å²	59	39%	0.389	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.1	176	65.6	178.1	-178.7	83.1	-0.5	111.9	L26 F65 G66	L26-R51 HydrophobicContact CB-CB 4.07Å; L26-R51 HydrophobicContact CD1-CB 4.21Å; R51-F65 WeakPolarHBondContact O-CA 3.42Å; R51-F65 WeakPolarHBondContact O-CB 3.42Å; R51-G66 PolarHBondContact N-O 2.99Å; R51-G66 PolarHBondContact O-N 2.77Å
52	K	97.6	Very high	96.3	Very high	41 Å²	41	52.4 Å²	52.4	18%	0.178	28%	0.28	C	S	.	.			trans	-63.2	150.2	165.4	-67.2	173.2	-175.2	-176.3	0	110.5	E27 D57 F59	E27-K52 VanDerWaalsContact OE2-CE 3.26Å; E27-K52 WeakPolarHBondContact OE2-CE 3.21Å; E27-K52 IonicContact OE2-NZ 2.62Å; E27-K52 PolarHBondContact OE2-NZ 2.86Å; K52-D57 HydrophobicContact CB-CB 3.92Å; K52-D57 HydrophobicContact CD-CB 4.3Å; K52-D57 WeakPolarHBondContact CD-O 3.39Å; K52-D57 WeakPolarHBondContact CE-O 3.42Å; K52-D57 HydrophobicContact CG-CB 3.92Å; K52-D57 PolarHBondContact NZ-O 2.68Å; K52-F59 HydrophobicContact CG-CE1 4.35Å; K52-F59 HydrophobicContact CG-CZ 4.17Å
53	L	96.4	Very high	96.5	Very high	52 Å²	52	52.7 Å²	52.7	27%	0.272	29%	0.287	S	S	.	.	S	Bend	trans	-93.5	-30.5	174.1	-66	179.9	0	0	0	111.2	D57 C64 V104	L53-D57 PolarHBondContact N-OD2 2.84Å; L53-C64 HydrophobicContact CD1-CB 3.95Å; L53-C64 WeakPolarHBondContact CD1-SG 3.27Å; L53-V104 HydrophobicContact CD1-CG2 4.01Å
54	H	95	Very high	96.6	Very high	117 Å²	117	48.8 Å²	48.8	54%	0.542	27%	0.268	S	S	.	.	S	Bend	trans	-126.4	147.8	175.1	-56.8	-65.8	0	0	0	110.8	T56 D57	H54-T56 PolarHBondContact O-N 3.26Å; H54-D57 IonicContact CD2-OD2 3.58Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 VanDerWaalsContact O-CB 3.28Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 2.8Å
55	P	93.1	Very high	96.9	Very high	130 Å²	130	47 Å²	47	84%	0.844	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.9	178.7	-27.3	35.4	0	0	0	114.4
56	T	94.3	Very high	97.3	Very high	127 Å²	127	45.4 Å²	45.4	78%	0.779	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.6	178.4	53.4	0	0	0	0	113.8	H54	H54-T56 PolarHBondContact O-N 3.26Å
57	D	96.8	Very high	97.4	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.144	24%	0.242	C	C	.	.			trans	-65.6	153.8	176.2	-74.8	-33.8	0	0	0	111.2	K52 L53 H54 S62	K52-D57 HydrophobicContact CB-CB 3.92Å; K52-D57 HydrophobicContact CD-CB 4.3Å; K52-D57 WeakPolarHBondContact CD-O 3.39Å; K52-D57 WeakPolarHBondContact CE-O 3.42Å; K52-D57 HydrophobicContact CG-CB 3.92Å; K52-D57 PolarHBondContact NZ-O 2.68Å; L53-D57 PolarHBondContact N-OD2 2.84Å; H54-D57 IonicContact CD2-OD2 3.58Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 VanDerWaalsContact O-CB 3.28Å; H54-D57 WeakPolarHBondContact O-CB 3.49Å; H54-D57 PolarHBondContact O-N 2.8Å; D57-S62 WeakPolarHBondContact CA-OG 3.48Å; D57-S62 VanDerWaalsContact CB-OG 3.29Å; D57-S62 WeakPolarHBondContact CB-OG 3.27Å; D57-S62 PolarHBondContact OD1-OG 2.72Å
58	N	96.6	Very high	97.4	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	25%	0.249	S	C	.	.			trans	-138.9	150.8	169.3	71.1	77	0	0	0	111.1	A60 Q61 S62	N58-A60 PolarHBondContact O-N 3.31Å; N58-A60 VanDerWaalsContact O-N 3.15Å; N58-A60 PolarHBondContact OD1-N 2.83Å; N58-A60 VanDerWaalsContact OD1-N 3.12Å; N58-Q61 PolarHBondContact ND2-OE1 2.94Å; N58-Q61 PolarHBondContact O-N 3.44Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.38Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; N58-S62 PolarHBondContact N-OG 2.92Å; N58-S62 VanDerWaalsContact O-CB 3.29Å; N58-S62 WeakPolarHBondContact O-CB 3.38Å; N58-S62 PolarHBondContact O-N 3.26Å; N58-S62 PolarHBondContact O-OG 2.8Å
59	F	98.1	Very high	97.4	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.044	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.1	-174.3	-64.9	-65.4	0	0	0	114.3	L25 L26 E27 I50 K52 F65 L90 I94 N96	L25-F59 HydrophobicContact CB-CD2 4.29Å; L25-F59 HydrophobicContact CB-CE1 4.47Å; L25-F59 HydrophobicContact CB-CE2 3.8Å; L25-F59 HydrophobicContact CB-CZ 3.9Å; L25-F59 HydrophobicContact CD1-CD2 4.36Å; L25-F59 HydrophobicContact CD1-CG 4.49Å; L25-F59 HydrophobicContact CD2-CD1 4.19Å; L25-F59 HydrophobicContact CD2-CE1 4.14Å; L25-F59 HydrophobicContact CD2-CZ 4.41Å; L26-F59 WeakPolarHBondContact O-CZ 3.45Å; E27-F59 WeakPolarHBondContact OE1-CE2 3.31Å; I50-F59 HydrophobicContact CB-CE1 4.38Å; I50-F59 HydrophobicContact CG2-CD1 4.3Å; I50-F59 HydrophobicContact CG2-CE1 3.83Å; K52-F59 HydrophobicContact CG-CE1 4.35Å; K52-F59 HydrophobicContact CG-CZ 4.17Å; F59-F65 HydrophobicContact CD1-CD1 4.04Å; F59-F65 AromaticContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CZ 4.23Å; F59-F65 HydrophobicContact CE1-CD1 4.16Å; F59-F65 HydrophobicContact CE1-CE1 4.19Å; F59-L90 HydrophobicContact CB-CD2 3.93Å; F59-L90 HydrophobicContact CD1-CD2 3.9Å; F59-L90 HydrophobicContact CG-CD2 4.3Å; F59-I94 HydrophobicContact CB-CG2 3.74Å; F59-I94 WeakPolarHBondContact O-CG2 3.43Å; F59-N96 PolarHBondContact O-ND2 2.66Å
60	A	98	Very high	97.3	Very high	33 Å²	33	46.6 Å²	46.6	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-30.2	-179.8	0	0	0	0	0	113.5	N58 I94 N96 M97	N58-A60 PolarHBondContact O-N 3.31Å; N58-A60 VanDerWaalsContact O-N 3.15Å; N58-A60 PolarHBondContact OD1-N 2.83Å; N58-A60 VanDerWaalsContact OD1-N 3.12Å; A60-I94 HydrophobicContact CB-CG2 4.21Å; A60-N96 CarbonylContact O-C 3.59Å; A60-N96 VanDerWaalsContact O-CA 3.24Å; A60-N96 WeakPolarHBondContact O-CA 3.37Å; A60-M97 PolarHBondContact O-N 3.04Å
61	Q	98.1	Very high	97	Very high	125 Å²	125	48 Å²	48	58%	0.584	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-32.8	-172.6	-61.8	177.9	-37.3	0	0	113.3	N58 N98	N58-Q61 PolarHBondContact ND2-OE1 2.94Å; N58-Q61 PolarHBondContact O-N 3.44Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.38Å; N58-Q61 PolarHBondContact OD1-N 2.82Å; Q61-N98 PolarHBondContact O-ND2 2.99Å
62	S	98.3	Very high	96.7	Very high	18 Å²	18	44.8 Å²	44.8	13%	0.126	25%	0.253	C	S	.	.			trans	-68.8	143.8	177.8	-59.7	0	0	0	0	110.2	D57 N58 F65 N96 N98	D57-S62 WeakPolarHBondContact CA-OG 3.48Å; D57-S62 VanDerWaalsContact CB-OG 3.29Å; D57-S62 WeakPolarHBondContact CB-OG 3.27Å; D57-S62 PolarHBondContact OD1-OG 2.72Å; N58-S62 PolarHBondContact N-OG 2.92Å; N58-S62 VanDerWaalsContact O-CB 3.29Å; N58-S62 WeakPolarHBondContact O-CB 3.38Å; N58-S62 PolarHBondContact O-N 3.26Å; N58-S62 PolarHBondContact O-OG 2.8Å; S62-F65 VanDerWaalsContact O-CE2 3.23Å; S62-F65 WeakPolarHBondContact O-CE2 3.36Å; S62-F65 WeakPolarHBondContact O-CZ 3.41Å; S62-N96 PolarHBondContact O-ND2 2.72Å; S62-N98 PolarHBondContact O-ND2 2.9Å
63	S	98.1	Very high	96.4	Very high	51 Å²	51	46.5 Å²	46.5	36%	0.357	27%	0.274	S	S	.	.			trans	-105.2	-6.6	178.7	65.7	0	0	0	0	113.2	L101 T102	S63-L101 CarbonylContact O-C 3.56Å; S63-L101 WeakPolarHBondContact O-CA 3.33Å; S63-T102 PolarHBondContact O-N 3.35Å
64	C	98.6	Very high	96.2	Very high	39 Å²	39	46.8 Å²	46.8	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	-176.3	-159.8	0	0	0	0	110.3	L53 T102	L53-C64 HydrophobicContact CD1-CB 3.95Å; L53-C64 WeakPolarHBondContact CD1-SG 3.27Å; C64-T102 VanDerWaalsContact CA-O 3.29Å; C64-T102 WeakPolarHBondContact CA-O 3.43Å
65	F	98.7	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.3	-175.9	-61.3	-73.7	0	0	0	110.9	I50 R51 F59 S62 L90 L101 T102 F103 V104	I50-F65 HydrophobicContact CG2-CB 3.75Å; I50-F65 HydrophobicContact CG2-CD1 4.25Å; I50-F65 HydrophobicContact CG2-CG 3.94Å; R51-F65 WeakPolarHBondContact O-CA 3.42Å; R51-F65 WeakPolarHBondContact O-CB 3.42Å; F59-F65 HydrophobicContact CD1-CD1 4.04Å; F59-F65 AromaticContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CE1 3.65Å; F59-F65 HydrophobicContact CD1-CZ 4.23Å; F59-F65 HydrophobicContact CE1-CD1 4.16Å; F59-F65 HydrophobicContact CE1-CE1 4.19Å; S62-F65 VanDerWaalsContact O-CE2 3.23Å; S62-F65 WeakPolarHBondContact O-CE2 3.36Å; S62-F65 WeakPolarHBondContact O-CZ 3.41Å; F65-L90 HydrophobicContact CD2-CD1 3.84Å; F65-L90 HydrophobicContact CE2-CD1 3.88Å; F65-L101 HydrophobicContact CD2-CD2 4.41Å; F65-L101 HydrophobicContact CE2-CD2 3.91Å; F65-T102 PolarHBondContact N-O 3.48Å; F65-F103 HydrophobicContact CB-CD1 4.1Å; F65-F103 HydrophobicContact CB-CE1 4.33Å; F65-F103 HydrophobicContact CD2-CE1 4.41Å; F65-F103 CarbonylContact O-C 3.56Å; F65-F103 VanDerWaalsContact O-CA 3.31Å; F65-F103 WeakPolarHBondContact O-CA 3.44Å; F65-V104 PolarHBondContact O-N 3.07Å
66	G	98.2	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.2	163.1	0	0	0	0	0	109.8	I50 R51 V104	I50-G66 WeakPolarHBondContact CA-O 3.31Å; R51-G66 PolarHBondContact N-O 2.99Å; R51-G66 PolarHBondContact O-N 2.77Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å
67	L	98.6	Very high	95.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.6	176.7	-176.9	58	0	0	0	110.8	A48 F49 I50 W69 T83 F103 V104 T105	A48-L67 HydrophobicContact CB-CD1 4.03Å; F49-L67 WeakPolarHBondContact O-CA 3.45Å; I50-L67 HydrophobicContact CG1-CD1 3.88Å; L67-W69 HydrophobicContact CB-CZ2 4.49Å; L67-W69 HydrophobicContact CD2-CH2 4.49Å; L67-W69 HydrophobicContact CD2-CZ2 3.43Å; L67-W69 VanDerWaalsContact CD2-CZ2 3.43Å; L67-W69 HydrophobicContact CG-CZ2 3.69Å; L67-T83 HydrophobicContact CD2-CG2 4.18Å; L67-F103 HydrophobicContact CB-CB 3.8Å; L67-F103 HydrophobicContact CB-CD1 3.82Å; L67-F103 HydrophobicContact CB-CG 4.08Å; L67-F103 HydrophobicContact CD2-CB 3.86Å; L67-F103 HydrophobicContact CD2-CD1 3.71Å; L67-F103 HydrophobicContact CD2-CD2 4.03Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.49Å; L67-F103 HydrophobicContact CD2-CG 3.59Å; L67-F103 HydrophobicContact CG-CD1 4.31Å; L67-F103 HydrophobicContact CG-CG 4.49Å; L67-V104 PolarHBondContact N-O 3.26Å; L67-T105 HydrophobicContact CB-CG2 3.85Å; L67-T105 HydrophobicContact CG-CG2 4.49Å; L67-T105 WeakPolarHBondContact O-CG2 3.27Å
68	R	98.2	Very high	95.3	Very high	43 Å²	43	37.9 Å²	37.9	16%	0.162	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.7	174.3	-60.9	173.4	71.1	177.8	10.6	109.6	E32 A48 F49 F70 E75	E32-R68 VanDerWaalsContact CD-NH1 3.29Å; E32-R68 IonicContact OE1-CZ 3.45Å; E32-R68 IonicContact OE1-NH1 3.7Å; E32-R68 PolarHBondContact OE1-NH1 3.3Å; E32-R68 IonicContact OE1-NH2 2.71Å; E32-R68 IonicContact OE2-CZ 3.84Å; E32-R68 VanDerWaalsContact OE2-CZ 3.32Å; E32-R68 IonicContact OE2-NH1 3.95Å; E32-R68 PolarHBondContact OE2-NH1 2.97Å; E32-R68 IonicContact OE2-NH2 3.98Å; E32-R68 PolarHBondContact OE2-NH2 2.79Å; A48-R68 WeakPolarHBondContact CA-O 3.36Å; F49-R68 PolarHBondContact N-O 3.36Å; F49-R68 PolarHBondContact O-N 3.17Å; R68-F70 HydrophobicContact CB-CD2 4.43Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; R68-E75 WeakPolarHBondContact CG-OE1 3.36Å; R68-E75 IonicContact CZ-OE1 2.75Å; R68-E75 IonicContact CZ-OE2 2.66Å; R68-E75 IonicContact NE-OE1 2.91Å; R68-E75 PolarHBondContact NE-OE1 3.23Å; R68-E75 IonicContact NE-OE2 3.87Å; R68-E75 IonicContact NH2-OE1 3.96Å; R68-E75 IonicContact NH2-OE2 3.29Å; R68-E75 PolarHBondContact NH2-OE2 3.48Å
69	W	97.6	Very high	95.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.1	178.5	-49.8	-82.9	0	0	0	110.8	E46 T47 L67 E75 V76 P77 C79 A82 T83 T105 L110	E46-W69 HydrophobicContact CG-CB 4.37Å; T47-W69 WeakPolarHBondContact O-CA 3.47Å; L67-W69 HydrophobicContact CB-CZ2 4.49Å; L67-W69 HydrophobicContact CD2-CH2 4.49Å; L67-W69 HydrophobicContact CD2-CZ2 3.43Å; L67-W69 VanDerWaalsContact CD2-CZ2 3.43Å; L67-W69 HydrophobicContact CG-CZ2 3.69Å; W69-E75 CarbonylContact O-C 3.41Å; W69-E75 WeakPolarHBondContact O-CA 3.38Å; W69-E75 WeakPolarHBondContact O-CG 3.16Å; W69-V76 HydrophobicContact CB-CG2 3.71Å; W69-V76 PolarHBondContact O-N 3.06Å; W69-P77 WeakPolarHBondContact CZ3-O 3.25Å; W69-C79 HydrophobicContact CB-CB 3.97Å; W69-C79 HydrophobicContact CD2-CB 3.86Å; W69-C79 HydrophobicContact CE3-CB 4.49Å; W69-C79 HydrophobicContact CG-CB 3.61Å; W69-A82 VanDerWaalsContact CD1-CB 3.48Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.31Å; W69-T105 HydrophobicContact CH2-CG2 3.27Å; W69-T105 HydrophobicContact CZ2-CG2 3.89Å; W69-T105 HydrophobicContact CZ3-CG2 3.92Å; W69-L110 HydrophobicContact CH2-CD1 3.49Å; W69-L110 VanDerWaalsContact CH2-CD1 3.49Å; W69-L110 HydrophobicContact CZ2-CD1 3.76Å
70	F	96.8	Very high	94.9	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	179.6	-72.1	-103.6	0	0	0	109.5	H35 Q36 A39 E46 T47 F49 R68 E75	H35-F70 HydrophobicContact CB-CD1 4.27Å; H35-F70 HydrophobicContact CB-CD2 4.08Å; H35-F70 HydrophobicContact CB-CE1 3.85Å; H35-F70 HydrophobicContact CB-CE2 3.66Å; H35-F70 HydrophobicContact CB-CG 4.37Å; H35-F70 HydrophobicContact CB-CZ 3.52Å; H35-F70 AromaticContact CD2-CE2 3.78Å; H35-F70 AromaticContact CG-CE2 4Å; Q36-F70 HydrophobicContact CB-CD1 4.47Å; A39-F70 HydrophobicContact CB-CB 3.51Å; E46-F70 CarbonylContact C-O 3.58Å; E46-F70 WeakPolarHBondContact CA-O 3.44Å; T47-F70 PolarHBondContact N-O 2.88Å; T47-F70 PolarHBondContact O-N 2.95Å; F49-F70 AromaticContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CD2 3.73Å; F49-F70 HydrophobicContact CD2-CE2 4.18Å; F49-F70 HydrophobicContact CE2-CB 4.31Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.38Å; F49-F70 HydrophobicContact CE2-CG 4.24Å; R68-F70 HydrophobicContact CB-CD2 4.43Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; F70-E75 HydrophobicContact CD1-CB 3.83Å; F70-E75 HydrophobicContact CD1-CG 4.41Å; F70-E75 HydrophobicContact CD2-CG 4.34Å; F70-E75 HydrophobicContact CE1-CB 3.53Å; F70-E75 HydrophobicContact CE1-CG 4.05Å; F70-E75 HydrophobicContact CE2-CB 4.36Å; F70-E75 HydrophobicContact CE2-CG 3.95Å; F70-E75 HydrophobicContact CG-CB 4.38Å; F70-E75 HydrophobicContact CZ-CB 3.82Å; F70-E75 HydrophobicContact CZ-CG 3.8Å
71	T	92.5	Very high	94.8	Very high	29 Å²	29	34.6 Å²	34.6	18%	0.178	21%	0.209	C	C	.	.			trans	-74.4	170.8	157.8	68.1	0	0	0	0	108.6	Q36 S45 E46 A73 S74 V76	Q36-T71 PolarHBondContact NE2-O 2.91Å; S45-T71 WeakPolarHBondContact O-CA 3.47Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; T71-A73 PolarHBondContact O-N 2.69Å; T71-A73 VanDerWaalsContact O-N 3.1Å; T71-A73 PolarHBondContact OG1-N 3.11Å; T71-S74 PolarHBondContact N-O 3.21Å; T71-S74 PolarHBondContact OG1-N 2.93Å; T71-S74 PolarHBondContact OG1-O 3.01Å; T71-V76 HydrophobicContact CG2-CG1 3.74Å
72	P	92.4	Very high	94.8	Very high	37 Å²	37	28.6 Å²	28.6	24%	0.24	18%	0.181	C	C	.	.	S	Bend	trans	-58.3	-21.4	170.3	-27.7	38	0	0	0	113.8	Q36 R40 L44	Q36-P72 VanDerWaalsContact NE2-C 3.26Å; Q36-P72 PolarHBondContact NE2-O 3.03Å; R40-P72 HydrophobicContact CG-CB 4.33Å; R40-P72 WeakPolarHBondContact CG-O 3.37Å; R40-P72 PolarHBondContact NE-O 3.31Å; R40-P72 VanDerWaalsContact NE-O 3.11Å; L44-P72 WeakPolarHBondContact O-CD 3.44Å
73	A	90.4	Very high	94.8	Very high	76 Å²	76	27.8 Å²	27.8	63%	0.628	18%	0.176	S	C	*	.	S	Bend	trans	-94.3	-43	-177.2	0	0	0	0	0	113.5	Q36 T71	Q36-A73 PolarHBondContact OE1-O 2.85Å; T71-A73 PolarHBondContact O-N 2.69Å; T71-A73 VanDerWaalsContact O-N 3.1Å; T71-A73 PolarHBondContact OG1-N 3.11Å
74	S	91.2	Very high	94.8	Very high	58 Å²	58	25.4 Å²	25.4	41%	0.406	16%	0.159	S	C	.	.			trans	-159.7	164.1	-171.7	67.9	0	0	0	0	113.5	T71	T71-S74 PolarHBondContact N-O 3.21Å; T71-S74 PolarHBondContact OG1-N 2.93Å; T71-S74 PolarHBondContact OG1-O 3.01Å
75	E	94.5	Very high	94.8	Very high	55 Å²	55	23.5 Å²	23.5	26%	0.257	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.4	161.9	-166.9	165.7	-168.8	0	0	110.5	R68 W69 F70 L106	R68-E75 WeakPolarHBondContact CG-OE1 3.36Å; R68-E75 IonicContact CZ-OE1 2.75Å; R68-E75 IonicContact CZ-OE2 2.66Å; R68-E75 IonicContact NE-OE1 2.91Å; R68-E75 PolarHBondContact NE-OE1 3.23Å; R68-E75 IonicContact NE-OE2 3.87Å; R68-E75 IonicContact NH2-OE1 3.96Å; R68-E75 IonicContact NH2-OE2 3.29Å; R68-E75 PolarHBondContact NH2-OE2 3.48Å; W69-E75 CarbonylContact O-C 3.41Å; W69-E75 WeakPolarHBondContact O-CA 3.38Å; W69-E75 WeakPolarHBondContact O-CG 3.16Å; F70-E75 HydrophobicContact CD1-CB 3.83Å; F70-E75 HydrophobicContact CD1-CG 4.41Å; F70-E75 HydrophobicContact CD2-CG 4.34Å; F70-E75 HydrophobicContact CE1-CB 3.53Å; F70-E75 HydrophobicContact CE1-CG 4.05Å; F70-E75 HydrophobicContact CE2-CB 4.36Å; F70-E75 HydrophobicContact CE2-CG 3.95Å; F70-E75 HydrophobicContact CG-CB 4.38Å; F70-E75 HydrophobicContact CZ-CB 3.82Å; F70-E75 HydrophobicContact CZ-CG 3.8Å; E75-L106 HydrophobicContact CG-CD1 4.27Å
76	V	90.5	Very high	94.8	Very high	29 Å²	29	23.5 Å²	23.5	18%	0.176	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.2	173.8	-63.8	0	0	0	0	110.5	E46 W69 T71 L78 C79	E46-V76 HydrophobicContact CG-CG2 4.24Å; W69-V76 HydrophobicContact CB-CG2 3.71Å; W69-V76 PolarHBondContact O-N 3.06Å; T71-V76 HydrophobicContact CG2-CG1 3.74Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 2.83Å; V76-C79 HydrophobicContact CG2-CB 4.27Å
77	P	88.9	Confident	94.8	Very high	79 Å²	79	23.5 Å²	23.5	51%	0.513	15%	0.146	S	C	.	.	S	Bend	trans	-73.5	-20.9	-171.1	29.9	-36.8	0	0	0	113.2	W69 L106 S107	W69-P77 WeakPolarHBondContact CZ3-O 3.25Å; P77-L106 HydrophobicContact CB-CB 4.49Å; P77-S107 VanDerWaalsContact C-OG 3.23Å; P77-S107 WeakPolarHBondContact O-CB 3.39Å; P77-S107 PolarHBondContact O-N 3.07Å; P77-S107 PolarHBondContact O-OG 3.22Å
78	L	88.1	Confident	94.8	Very high	52 Å²	52	23.4 Å²	23.4	27%	0.272	15%	0.146	S	C	.	.			trans	-155.4	126.4	-176.3	-177.2	114.9	0	0	0	110.4	V76 L110	V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L78 PolarHBondContact O-N 2.83Å; L78-L110 HydrophobicContact CD1-CD1 4.07Å; L78-L110 HydrophobicContact CD1-CD2 3.94Å; L78-L110 HydrophobicContact CD1-CG 4.48Å
79	C	92.5	Very high	94.8	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.041	14%	0.138	C	C	.	.			trans	-137.7	114.7	171.2	-177.6	0	0	0	0	112.1	E46 W69 V76 A82 T83	E46-C79 HydrophobicContact CG-CB 4.17Å; E46-C79 PolarHBondContact OE1-SG 2.95Å; W69-C79 HydrophobicContact CB-CB 3.97Å; W69-C79 HydrophobicContact CD2-CB 3.86Å; W69-C79 HydrophobicContact CE3-CB 4.49Å; W69-C79 HydrophobicContact CG-CB 3.61Å; V76-C79 HydrophobicContact CG2-CB 4.27Å; C79-A82 HydrophobicContact CB-CB 4.25Å; C79-A82 VanDerWaalsContact SG-CB 3.58Å; C79-T83 WeakPolarHBondContact O-CB 3.27Å; C79-T83 PolarHBondContact O-N 3.28Å; C79-T83 PolarHBondContact O-OG1 2.92Å
80	G	92.4	Very high	94.9	Very high	10 Å²	10	21.3 Å²	21.3	10%	0.103	14%	0.137	C	C	.	.	H	α-helix	trans	-68.5	-51.7	-177.8	0	0	0	0	0	113.5	A82 T83 L84 L121	G80-A82 PolarHBondContact O-N 2.79Å; G80-T83 WeakPolarHBondContact O-CB 3.44Å; G80-T83 PolarHBondContact O-N 2.99Å; G80-T83 VanDerWaalsContact O-N 3.16Å; G80-L84 PolarHBondContact O-N 2.95Å; G80-L121 WeakPolarHBondContact O-CD1 3.49Å
81	H	96.2	Very high	94.9	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.028	14%	0.138	C	C	.	.	H	α-helix	trans	-67.4	-38.8	-172.9	79.2	-104	0	0	0	112	A10 F11 N19 E46 T83 L84 A85	A10-H81 HydrophobicContact CB-CB 3.94Å; A10-H81 WeakPolarHBondContact CB-O 3.47Å; F11-H81 HydrophobicContact CD2-CB 3.96Å; F11-H81 HydrophobicContact CE2-CB 3.53Å; N19-H81 HydrophobicContact CB-CB 4.01Å; N19-H81 PolarHBondContact ND2-CE1 2.82Å; N19-H81 PolarHBondContact ND2-ND1 3.42Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.39Å; E46-H81 IonicContact OE2-ND1 3.11Å; E46-H81 IonicContact OE2-NE2 3.47Å; E46-H81 PolarHBondContact OE2-NE2 2.98Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.84Å; H81-L84 WeakPolarHBondContact O-CB 3.37Å; H81-L84 PolarHBondContact O-N 2.83Å; H81-L84 VanDerWaalsContact O-N 3.15Å; H81-A85 WeakPolarHBondContact O-CB 3.37Å; H81-A85 PolarHBondContact O-N 2.9Å
82	A	97.7	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.1	-25.8	176.6	0	0	0	0	0	112.2	A21 E46 A48 W69 C79 G80 S86	A21-A82 HydrophobicContact CB-CB 3.85Å; E46-A82 HydrophobicContact CB-CB 3.9Å; A48-A82 HydrophobicContact CB-CB 4.23Å; W69-A82 VanDerWaalsContact CD1-CB 3.48Å; C79-A82 HydrophobicContact CB-CB 4.25Å; C79-A82 VanDerWaalsContact SG-CB 3.58Å; G80-A82 PolarHBondContact O-N 2.79Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.32Å; A82-S86 PolarHBondContact O-N 2.96Å; A82-S86 PolarHBondContact O-OG 2.82Å
83	T	98.3	Very high	95.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-44.3	166.4	-56.3	0	0	0	0	111.6	L67 W69 C79 G80 H81 S86 A87 F103 L110 L121	L67-T83 HydrophobicContact CD2-CG2 4.18Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.31Å; C79-T83 WeakPolarHBondContact O-CB 3.27Å; C79-T83 PolarHBondContact O-N 3.28Å; C79-T83 PolarHBondContact O-OG1 2.92Å; G80-T83 WeakPolarHBondContact O-CB 3.44Å; G80-T83 PolarHBondContact O-N 2.99Å; G80-T83 VanDerWaalsContact O-N 3.16Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.84Å; T83-S86 WeakPolarHBondContact O-CB 3.39Å; T83-S86 PolarHBondContact O-N 2.96Å; T83-A87 PolarHBondContact O-N 2.83Å; T83-F103 HydrophobicContact CG2-CD2 3.74Å; T83-F103 HydrophobicContact CG2-CE2 3.94Å; T83-L110 HydrophobicContact CG2-CB 4.44Å; T83-L110 HydrophobicContact CG2-CD1 4.4Å; T83-L121 HydrophobicContact CG2-CD2 3.89Å
84	L	98.4	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-45.8	176.2	-164.8	150.1	0	0	0	110.9	A10 F11 G80 H81 S86 A87 A88 I119 L121 G277 A278	A10-L84 HydrophobicContact CB-CB 4.26Å; A10-L84 HydrophobicContact CB-CD2 3.94Å; F11-L84 HydrophobicContact CD1-CD1 3.85Å; F11-L84 HydrophobicContact CE1-CD1 3.49Å; F11-L84 VanDerWaalsContact CE1-CD1 3.49Å; F11-L84 HydrophobicContact CZ-CD1 3.95Å; G80-L84 PolarHBondContact O-N 2.95Å; H81-L84 WeakPolarHBondContact O-CB 3.37Å; H81-L84 PolarHBondContact O-N 2.83Å; H81-L84 VanDerWaalsContact O-N 3.15Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.22Å; L84-A87 PolarHBondContact O-N 2.84Å; L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.99Å; L84-I119 HydrophobicContact CG-CB 4.26Å; L84-I119 HydrophobicContact CG-CG2 4.47Å; L84-L121 HydrophobicContact CB-CD1 3.98Å; L84-L121 HydrophobicContact CB-CD2 4.43Å; L84-L121 HydrophobicContact CB-CG 4.33Å; L84-L121 HydrophobicContact CD1-CD1 4.47Å; L84-L121 HydrophobicContact CD1-CG 4.41Å; L84-G277 WeakPolarHBondContact CD2-O 3.14Å; L84-A278 HydrophobicContact CD2-CB 3.7Å
85	A	98.7	Very high	96	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-44.5	173.8	0	0	0	0	0	112	A8 A21 V23 H81 A88 V89	A8-A85 HydrophobicContact CB-CB 3.94Å; A21-A85 HydrophobicContact CB-CB 3.85Å; V23-A85 HydrophobicContact CG2-CB 3.87Å; H81-A85 WeakPolarHBondContact O-CB 3.37Å; H81-A85 PolarHBondContact O-N 2.9Å; A85-A88 WeakPolarHBondContact O-CB 3.37Å; A85-A88 PolarHBondContact O-N 3.15Å; A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.16Å
86	S	98.8	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-47.8	177	-67	0	0	0	0	112.1	A48 A82 T83 L84 A88 V89 L90	A48-S86 VanDerWaalsContact CB-OG 3.27Å; A48-S86 WeakPolarHBondContact CB-OG 3.39Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.32Å; A82-S86 PolarHBondContact O-N 2.96Å; A82-S86 PolarHBondContact O-OG 2.82Å; T83-S86 WeakPolarHBondContact O-CB 3.39Å; T83-S86 PolarHBondContact O-N 2.96Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.22Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 3.42Å; S86-V89 PolarHBondContact O-N 2.87Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 3.45Å; S86-L90 VanDerWaalsContact O-N 3.09Å
87	A	98.7	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-38.2	174.8	0	0	0	0	0	112	T83 L84 L90 F91 L101 F103 A112 I119	T83-A87 PolarHBondContact O-N 2.83Å; L84-A87 PolarHBondContact O-N 2.84Å; A87-L90 PolarHBondContact O-N 3.24Å; A87-F91 HydrophobicContact CB-CD2 4.24Å; A87-F91 HydrophobicContact CB-CE2 4.1Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 WeakPolarHBondContact O-CG 3.42Å; A87-F91 PolarHBondContact O-N 2.77Å; A87-L101 HydrophobicContact CB-CD1 4.3Å; A87-F103 HydrophobicContact CB-CE2 4.28Å; A87-F103 HydrophobicContact CB-CZ 4.39Å; A87-A112 HydrophobicContact CB-CB 3.53Å; A87-I119 HydrophobicContact CB-CD1 3.98Å; A87-I119 HydrophobicContact CB-CG2 3.92Å
88	A	98.3	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-41.5	177.6	0	0	0	0	0	112.7	L84 A85 S86 H92 I119 A278	L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 2.99Å; A85-A88 WeakPolarHBondContact O-CB 3.37Å; A85-A88 PolarHBondContact O-N 3.15Å; S86-A88 VanDerWaalsContact C-N 3.31Å; S86-A88 PolarHBondContact O-N 3.42Å; A88-H92 WeakPolarHBondContact O-CA 3.37Å; A88-H92 WeakPolarHBondContact O-CB 3.5Å; A88-H92 PolarHBondContact O-N 3.11Å; A88-I119 VanDerWaalsContact CA-CD1 3.43Å; A88-I119 HydrophobicContact CB-CD1 3.67Å; A88-I119 VanDerWaalsContact N-CD1 3.32Å; A88-A278 HydrophobicContact CB-CB 3.29Å
89	V	98.7	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-61.1	-48.4	173.7	169.2	0	0	0	0	110.2	F6 V23 L25 A85 S86 K93 I94 V280	F6-V89 HydrophobicContact CB-CG2 3.67Å; F6-V89 HydrophobicContact CD1-CG1 4.13Å; F6-V89 HydrophobicContact CD1-CG2 4.32Å; F6-V89 HydrophobicContact CD2-CG1 3.52Å; F6-V89 HydrophobicContact CD2-CG2 4.23Å; F6-V89 HydrophobicContact CE1-CG1 4.2Å; F6-V89 HydrophobicContact CE2-CG1 3.65Å; F6-V89 HydrophobicContact CG-CB 4.5Å; F6-V89 HydrophobicContact CG-CG1 3.79Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 3.99Å; V23-V89 HydrophobicContact CB-CG2 3.97Å; V23-V89 HydrophobicContact CG1-CB 4.14Å; V23-V89 HydrophobicContact CG1-CG1 4.29Å; V23-V89 HydrophobicContact CG1-CG2 4.03Å; V23-V89 HydrophobicContact CG2-CG2 4.13Å; L25-V89 HydrophobicContact CD1-CG1 4.43Å; L25-V89 HydrophobicContact CD2-CG1 4.42Å; A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.16Å; S86-V89 PolarHBondContact O-N 2.87Å; V89-K93 WeakPolarHBondContact O-CA 3Å; V89-K93 VanDerWaalsContact O-CB 3.32Å; V89-K93 WeakPolarHBondContact O-CB 3.17Å; V89-K93 PolarHBondContact O-N 3.47Å; V89-I94 HydrophobicContact CG1-CG1 4.4Å; V89-I94 PolarHBondContact O-N 3.23Å; V89-V280 HydrophobicContact CG2-CG2 4.45Å
90	L	98.7	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-62.8	-47.9	179.4	-69.3	173.2	0	0	0	112.2	L25 I50 F59 F65 S86 A87 I94 K95 N96 L101 F103	L25-L90 HydrophobicContact CD2-CD2 4.2Å; I50-L90 HydrophobicContact CD1-CD1 4.05Å; I50-L90 HydrophobicContact CD1-CD2 4.44Å; I50-L90 HydrophobicContact CD1-CG 4.03Å; I50-L90 HydrophobicContact CG2-CD1 4.28Å; F59-L90 HydrophobicContact CB-CD2 3.93Å; F59-L90 HydrophobicContact CD1-CD2 3.9Å; F59-L90 HydrophobicContact CG-CD2 4.3Å; F65-L90 HydrophobicContact CD2-CD1 3.84Å; F65-L90 HydrophobicContact CE2-CD1 3.88Å; S86-L90 WeakPolarHBondContact O-CG 3.32Å; S86-L90 PolarHBondContact O-N 3.45Å; S86-L90 VanDerWaalsContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 3.24Å; L90-I94 HydrophobicContact CD2-CG1 4.39Å; L90-I94 CarbonylContact O-C 3.53Å; L90-I94 WeakPolarHBondContact O-CB 3.05Å; L90-K95 PolarHBondContact O-N 3.21Å; L90-K95 VanDerWaalsContact O-N 3.09Å; L90-N96 HydrophobicContact CB-CB 4.29Å; L90-N96 VanDerWaalsContact O-CB 3.31Å; L90-N96 WeakPolarHBondContact O-CB 3.42Å; L90-N96 PolarHBondContact O-N 2.9Å; L90-L101 HydrophobicContact CB-CD1 3.73Å; L90-L101 HydrophobicContact CD1-CD1 3.68Å; L90-L101 HydrophobicContact CG-CD1 4.37Å; L90-F103 HydrophobicContact CD1-CE1 3.86Å; L90-F103 HydrophobicContact CD1-CZ 3.94Å
91	F	98	Very high	98	Very high	10 Å²	10	33.7 Å²	33.7	4%	0.044	17%	0.169	C	C	.	.	I	π-helix	trans	-72.7	-42.7	-178.2	-68.4	-42.5	0	0	0	113.6	A87 K95 N96 N98 L101 R114 I119	A87-F91 HydrophobicContact CB-CD2 4.24Å; A87-F91 HydrophobicContact CB-CE2 4.1Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 WeakPolarHBondContact O-CG 3.42Å; A87-F91 PolarHBondContact O-N 2.77Å; F91-K95 WeakPolarHBondContact O-CA 3.42Å; F91-N96 HydrophobicContact CD1-CB 4.44Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; F91-L101 HydrophobicContact CD1-CD1 4.09Å; F91-L101 HydrophobicContact CD2-CD1 4.38Å; F91-L101 HydrophobicContact CE1-CD1 3.6Å; F91-L101 HydrophobicContact CE1-CD2 4.28Å; F91-L101 HydrophobicContact CE1-CG 3.6Å; F91-L101 HydrophobicContact CE2-CD1 3.95Å; F91-L101 HydrophobicContact CE2-CG 4.37Å; F91-L101 HydrophobicContact CG-CD1 4.46Å; F91-L101 HydrophobicContact CZ-CB 4.38Å; F91-L101 HydrophobicContact CZ-CD1 3.54Å; F91-L101 HydrophobicContact CZ-CG 3.53Å; F91-R114 HydrophobicContact CD2-CB 4.33Å; F91-R114 HydrophobicContact CE1-CB 4.44Å; F91-R114 HydrophobicContact CE2-CB 4.07Å; F91-R114 HydrophobicContact CZ-CB 4.13Å; F91-I119 HydrophobicContact CD2-CD1 3.95Å; F91-I119 HydrophobicContact CD2-CG1 4.1Å; F91-I119 HydrophobicContact CE2-CG1 4.46Å; F91-I119 HydrophobicContact CE2-CG2 4.44Å
92	H	95.9	Very high	98.1	Very high	90 Å²	90	34.5 Å²	34.5	42%	0.417	18%	0.175	S	C	.	.	I	π-helix	trans	-97.9	-36	-168.5	-54.8	163.2	0	0	0	113.1	A88	A88-H92 WeakPolarHBondContact O-CA 3.37Å; A88-H92 WeakPolarHBondContact O-CB 3.5Å; A88-H92 PolarHBondContact O-N 3.11Å
93	K	97.2	Very high	98.2	Very high	81 Å²	81	34.5 Å²	34.5	35%	0.352	18%	0.175	S	C	.	.	I	π-helix	trans	-93.2	-51.2	-178.9	-65.9	-61.3	-164.8	147.8	0	112.1	F6 V89 K95 V280 E283	F6-K93 HydrophobicContact CD1-CB 4.38Å; F6-K93 HydrophobicContact CD1-CG 4.1Å; F6-K93 HydrophobicContact CE1-CB 3.83Å; F6-K93 HydrophobicContact CE1-CG 3.99Å; V89-K93 WeakPolarHBondContact O-CA 3Å; V89-K93 VanDerWaalsContact O-CB 3.32Å; V89-K93 WeakPolarHBondContact O-CB 3.17Å; V89-K93 PolarHBondContact O-N 3.47Å; K93-K95 VanDerWaalsContact C-N 3.27Å; K93-K95 PolarHBondContact O-N 3.09Å; K93-V280 HydrophobicContact CD-CG1 4.43Å; K93-V280 HydrophobicContact CG-CB 4.34Å; K93-V280 HydrophobicContact CG-CG1 4.08Å; K93-V280 HydrophobicContact CG-CG2 4.1Å; K93-E283 IonicContact NZ-OE2 3.32Å; K93-E283 PolarHBondContact NZ-OE2 3Å
94	I	97.8	Very high	98.2	Very high	50 Å²	50	37.1 Å²	37.1	26%	0.256	19%	0.19	S	C	.	.	S	Bend	trans	-78.6	-17.2	178.5	-52.4	-54	0	0	0	112	F6 L25 F59 A60 V89 L90 N96	F6-I94 HydrophobicContact CZ-CD1 4.21Å; L25-I94 HydrophobicContact CD1-CD1 3.51Å; L25-I94 HydrophobicContact CD1-CG1 3.69Å; F59-I94 HydrophobicContact CB-CG2 3.74Å; F59-I94 WeakPolarHBondContact O-CG2 3.43Å; A60-I94 HydrophobicContact CB-CG2 4.21Å; V89-I94 HydrophobicContact CG1-CG1 4.4Å; V89-I94 PolarHBondContact O-N 3.23Å; L90-I94 HydrophobicContact CD2-CG1 4.39Å; L90-I94 CarbonylContact O-C 3.53Å; L90-I94 WeakPolarHBondContact O-CB 3.05Å; I94-N96 VanDerWaalsContact C-N 3.31Å; I94-N96 PolarHBondContact O-N 2.92Å
95	K	97.6	Very high	98.1	Very high	157 Å²	157	38 Å²	38	68%	0.683	20%	0.196	S	C	*	.			trans	57.8	44.1	-177.2	-56.4	-178.7	-179.9	178.4	0	111.9	L90 F91 K93 M97	L90-K95 PolarHBondContact O-N 3.21Å; L90-K95 VanDerWaalsContact O-N 3.09Å; F91-K95 WeakPolarHBondContact O-CA 3.42Å; K93-K95 VanDerWaalsContact C-N 3.27Å; K93-K95 PolarHBondContact O-N 3.09Å; K95-M97 PolarHBondContact O-N 2.62Å
96	N	98.5	Very high	97.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.227	C	C	.	.			trans	-54	131.4	174.8	-172	-65.4	0	0	0	110.3	F59 A60 S62 L90 F91 I94 N98	F59-N96 PolarHBondContact O-ND2 2.66Å; A60-N96 CarbonylContact O-C 3.59Å; A60-N96 VanDerWaalsContact O-CA 3.24Å; A60-N96 WeakPolarHBondContact O-CA 3.37Å; S62-N96 PolarHBondContact O-ND2 2.72Å; L90-N96 HydrophobicContact CB-CB 4.29Å; L90-N96 VanDerWaalsContact O-CB 3.31Å; L90-N96 WeakPolarHBondContact O-CB 3.42Å; L90-N96 PolarHBondContact O-N 2.9Å; F91-N96 HydrophobicContact CD1-CB 4.44Å; I94-N96 VanDerWaalsContact C-N 3.31Å; I94-N96 PolarHBondContact O-N 2.92Å; N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 2.92Å; N96-N98 WeakPolarHBondContact OD1-CB 3.4Å; N96-N98 PolarHBondContact OD1-N 2.91Å; N96-N98 PolarHBondContact OD1-ND2 3.3Å
97	M	97.5	Very high	97.3	Very high	142 Å²	142	46.7 Å²	46.7	70%	0.7	25%	0.246	S	C	*	.			trans	-77.9	-18.7	-169.5	-62.8	-178.1	68.3	0	0	113.4	A60 K95	A60-M97 PolarHBondContact O-N 3.04Å; K95-M97 PolarHBondContact O-N 2.62Å
98	N	98.5	Very high	97.1	Very high	48 Å²	48	48.3 Å²	48.3	26%	0.257	26%	0.263	S	S	.	.			trans	-73.9	152.3	-177.2	-60.9	-79.8	0	0	0	111.3	Q61 S62 F91 N96	Q61-N98 PolarHBondContact O-ND2 2.99Å; S62-N98 PolarHBondContact O-ND2 2.9Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; N96-N98 VanDerWaalsContact C-N 3.33Å; N96-N98 PolarHBondContact O-N 2.92Å; N96-N98 WeakPolarHBondContact OD1-CB 3.4Å; N96-N98 PolarHBondContact OD1-N 2.91Å; N96-N98 PolarHBondContact OD1-ND2 3.3Å
99	S	97.6	Very high	97	Very high	72 Å²	72	53.5 Å²	53.5	50%	0.503	29%	0.288	S	S	.	.	S	Bend	trans	-85.4	-19.8	170.9	59.1	0	0	0	0	112.8	R113 R114	S99-R113 WeakPolarHBondContact O-CA 3.27Å; S99-R114 PolarHBondContact O-N 3.12Å
100	T	98.6	Very high	96.9	Very high	50 Å²	50	54 Å²	54	31%	0.307	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.4	-177.3	-55.1	0	0	0	0	109.2	A112 R113	T100-A112 CarbonylContact C-O 3.52Å; T100-A112 WeakPolarHBondContact CA-O 3.43Å; T100-R113 HydrophobicContact CG2-CG 3.88Å
101	L	98.7	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.1	172.4	-63.2	172.7	0	0	0	109.1	S63 F65 A87 L90 F91 F103 R111 A112	S63-L101 CarbonylContact O-C 3.56Å; S63-L101 WeakPolarHBondContact O-CA 3.33Å; F65-L101 HydrophobicContact CD2-CD2 4.41Å; F65-L101 HydrophobicContact CE2-CD2 3.91Å; A87-L101 HydrophobicContact CB-CD1 4.3Å; L90-L101 HydrophobicContact CB-CD1 3.73Å; L90-L101 HydrophobicContact CD1-CD1 3.68Å; L90-L101 HydrophobicContact CG-CD1 4.37Å; F91-L101 HydrophobicContact CD1-CD1 4.09Å; F91-L101 HydrophobicContact CD2-CD1 4.38Å; F91-L101 HydrophobicContact CE1-CD1 3.6Å; F91-L101 HydrophobicContact CE1-CD2 4.28Å; F91-L101 HydrophobicContact CE1-CG 3.6Å; F91-L101 HydrophobicContact CE2-CD1 3.95Å; F91-L101 HydrophobicContact CE2-CG 4.37Å; F91-L101 HydrophobicContact CG-CD1 4.46Å; F91-L101 HydrophobicContact CZ-CB 4.38Å; F91-L101 HydrophobicContact CZ-CD1 3.54Å; F91-L101 HydrophobicContact CZ-CG 3.53Å; L101-F103 HydrophobicContact CB-CE2 4.16Å; L101-F103 HydrophobicContact CB-CZ 4.19Å; L101-F103 HydrophobicContact CD1-CZ 4.22Å; L101-R111 WeakPolarHBondContact O-CA 3.33Å; L101-A112 PolarHBondContact N-O 2.77Å; L101-A112 PolarHBondContact O-N 3.38Å
102	T	98.6	Very high	96.9	Very high	23 Å²	23	59.1 Å²	59.1	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.6	171.6	-60.1	0	0	0	0	108.9	S63 C64 F65 E109	S63-T102 PolarHBondContact O-N 3.35Å; C64-T102 VanDerWaalsContact CA-O 3.29Å; C64-T102 WeakPolarHBondContact CA-O 3.43Å; F65-T102 PolarHBondContact N-O 3.48Å; T102-E109 HydrophobicContact CG2-CB 4.06Å; T102-E109 HydrophobicContact CG2-CG 3.87Å
103	F	98.5	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.5	176.2	-62.8	-71.1	0	0	0	109.9	I50 F65 L67 T83 A87 L90 L101 T105 E109 L110 A112	I50-F103 HydrophobicContact CG2-CE1 4.44Å; F65-F103 HydrophobicContact CB-CD1 4.1Å; F65-F103 HydrophobicContact CB-CE1 4.33Å; F65-F103 HydrophobicContact CD2-CE1 4.41Å; F65-F103 CarbonylContact O-C 3.56Å; F65-F103 VanDerWaalsContact O-CA 3.31Å; F65-F103 WeakPolarHBondContact O-CA 3.44Å; L67-F103 HydrophobicContact CB-CB 3.8Å; L67-F103 HydrophobicContact CB-CD1 3.82Å; L67-F103 HydrophobicContact CB-CG 4.08Å; L67-F103 HydrophobicContact CD2-CB 3.86Å; L67-F103 HydrophobicContact CD2-CD1 3.71Å; L67-F103 HydrophobicContact CD2-CD2 4.03Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.49Å; L67-F103 HydrophobicContact CD2-CG 3.59Å; L67-F103 HydrophobicContact CG-CD1 4.31Å; L67-F103 HydrophobicContact CG-CG 4.49Å; T83-F103 HydrophobicContact CG2-CD2 3.74Å; T83-F103 HydrophobicContact CG2-CE2 3.94Å; A87-F103 HydrophobicContact CB-CE2 4.28Å; A87-F103 HydrophobicContact CB-CZ 4.39Å; L90-F103 HydrophobicContact CD1-CE1 3.86Å; L90-F103 HydrophobicContact CD1-CZ 3.94Å; L101-F103 HydrophobicContact CB-CE2 4.16Å; L101-F103 HydrophobicContact CB-CZ 4.19Å; L101-F103 HydrophobicContact CD1-CZ 4.22Å; F103-T105 HydrophobicContact CB-CG2 3.98Å; F103-E109 WeakPolarHBondContact O-CA 3.49Å; F103-L110 HydrophobicContact CB-CB 4.47Å; F103-L110 PolarHBondContact N-O 2.65Å; F103-L110 PolarHBondContact O-N 3.1Å; F103-A112 HydrophobicContact CE2-CB 4Å
104	V	98	Very high	97	Very high	55 Å²	55	61 Å²	61	33%	0.333	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.2	174.5	-177.2	0	0	0	0	108.3	L53 F65 G66 L67	L53-V104 HydrophobicContact CD1-CG2 4.01Å; F65-V104 PolarHBondContact O-N 3.07Å; G66-V104 WeakPolarHBondContact CA-O 3.46Å; L67-V104 PolarHBondContact N-O 3.26Å
105	T	96.5	Very high	96.8	Very high	18 Å²	18	60.3 Å²	60.3	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	175	-170.5	79.8	0	0	0	0	111	L67 W69 F103 S107 G108	L67-T105 HydrophobicContact CB-CG2 3.85Å; L67-T105 HydrophobicContact CG-CG2 4.49Å; L67-T105 WeakPolarHBondContact O-CG2 3.27Å; W69-T105 HydrophobicContact CH2-CG2 3.27Å; W69-T105 HydrophobicContact CZ2-CG2 3.89Å; W69-T105 HydrophobicContact CZ3-CG2 3.92Å; F103-T105 HydrophobicContact CB-CG2 3.98Å; T105-S107 PolarHBondContact O-N 2.8Å; T105-S107 PolarHBondContact OG1-N 3.49Å; T105-G108 PolarHBondContact N-O 3.47Å; T105-G108 PolarHBondContact O-N 2.61Å; T105-G108 PolarHBondContact OG1-O 3.4Å
106	L	92.6	Very high	96.3	Very high	124 Å²	124	62.1 Å²	62.1	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.8	175.3	-68.8	178.5	0	0	0	113.3	E75 P77	E75-L106 HydrophobicContact CG-CD1 4.27Å; P77-L106 HydrophobicContact CB-CB 4.49Å
107	S	89.7	Confident	95.6	Very high	59 Å²	59	67.6 Å²	67.6	41%	0.413	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	15.3	177.1	-61.9	0	0	0	0	113.4	P77 T105	P77-S107 VanDerWaalsContact C-OG 3.23Å; P77-S107 WeakPolarHBondContact O-CB 3.39Å; P77-S107 PolarHBondContact O-N 3.07Å; P77-S107 PolarHBondContact O-OG 3.22Å; T105-S107 PolarHBondContact O-N 2.8Å; T105-S107 PolarHBondContact OG1-N 3.49Å
108	G	93.9	Very high	95.5	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.6	-158	-175.9	0	0	0	0	0	113.3	T105	T105-G108 PolarHBondContact N-O 3.47Å; T105-G108 PolarHBondContact O-N 2.61Å; T105-G108 PolarHBondContact OG1-O 3.4Å
109	E	95.8	Very high	95.5	Very high	109 Å²	109	59.1 Å²	59.1	51%	0.509	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.1	-177.9	-69.8	-172.2	-177.2	0	0	112	T102 F103 R111	T102-E109 HydrophobicContact CG2-CB 4.06Å; T102-E109 HydrophobicContact CG2-CG 3.87Å; F103-E109 WeakPolarHBondContact O-CA 3.49Å; E109-R111 IonicContact OE2-CZ 3.75Å; E109-R111 IonicContact OE2-NE 3.84Å; E109-R111 IonicContact OE2-NH2 2.81Å; E109-R111 PolarHBondContact OE2-NH2 2.79Å; E109-R111 VanDerWaalsContact OE2-NH2 3.07Å
110	L	95.9	Very high	95.5	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.9	165.3	-64.8	-177.2	0	0	0	109.9	W69 L78 T83 F103 L123	W69-L110 HydrophobicContact CH2-CD1 3.49Å; W69-L110 VanDerWaalsContact CH2-CD1 3.49Å; W69-L110 HydrophobicContact CZ2-CD1 3.76Å; L78-L110 HydrophobicContact CD1-CD1 4.07Å; L78-L110 HydrophobicContact CD1-CD2 3.94Å; L78-L110 HydrophobicContact CD1-CG 4.48Å; T83-L110 HydrophobicContact CG2-CB 4.44Å; T83-L110 HydrophobicContact CG2-CD1 4.4Å; F103-L110 HydrophobicContact CB-CB 4.47Å; F103-L110 PolarHBondContact N-O 2.65Å; F103-L110 PolarHBondContact O-N 3.1Å; L110-L123 HydrophobicContact CD2-CD2 4.34Å
111	R	98.1	Very high	95.5	Very high	119 Å²	119	54.2 Å²	54.2	45%	0.449	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.3	-179.7	-65.1	179.1	-177.1	176.8	1.6	110.6	L101 E109 D122	L101-R111 WeakPolarHBondContact O-CA 3.33Å; E109-R111 IonicContact OE2-CZ 3.75Å; E109-R111 IonicContact OE2-NE 3.84Å; E109-R111 IonicContact OE2-NH2 2.81Å; E109-R111 PolarHBondContact OE2-NH2 2.79Å; E109-R111 VanDerWaalsContact OE2-NH2 3.07Å; R111-D122 HydrophobicContact CB-CB 4.09Å; R111-D122 PolarHBondContact O-N 2.78Å
112	A	98.5	Very high	95.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.4	172.2	0	0	0	0	0	109.2	A87 T100 L101 F103 I119 V120 L121	A87-A112 HydrophobicContact CB-CB 3.53Å; T100-A112 CarbonylContact C-O 3.52Å; T100-A112 WeakPolarHBondContact CA-O 3.43Å; L101-A112 PolarHBondContact N-O 2.77Å; L101-A112 PolarHBondContact O-N 3.38Å; F103-A112 HydrophobicContact CE2-CB 4Å; A112-I119 HydrophobicContact CB-CG2 4.01Å; A112-V120 CarbonylContact C-O 3.58Å; A112-V120 WeakPolarHBondContact CA-O 3.27Å; A112-L121 HydrophobicContact CB-CD2 3.75Å
113	R	98.4	Very high	95.2	Very high	87 Å²	87	54.1 Å²	54.1	33%	0.328	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.1	-179.6	-65.6	-179.4	-71.2	142.4	-4.6	110.2	S99 T100 I119 V120 D273	S99-R113 WeakPolarHBondContact O-CA 3.27Å; T100-R113 HydrophobicContact CG2-CG 3.88Å; R113-I119 CarbonylContact O-C 3.57Å; R113-I119 WeakPolarHBondContact O-CA 3.44Å; R113-V120 HydrophobicContact CB-CB 4.39Å; R113-V120 PolarHBondContact N-O 2.99Å; R113-V120 PolarHBondContact O-N 3.35Å; R113-D273 IonicContact CZ-OD2 3.07Å; R113-D273 IonicContact NH2-OD1 3.89Å; R113-D273 PolarHBondContact NH2-OD1 3.31Å; R113-D273 IonicContact NH2-OD2 3.69Å; R113-D273 PolarHBondContact NH2-OD2 3.31Å
114	R	97.3	Very high	95	Very high	124 Å²	124	55.9 Å²	55.9	47%	0.468	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.1	169.9	-170.7	170.2	67.6	-155	-0.7	109.3	F91 S99	F91-R114 HydrophobicContact CD2-CB 4.33Å; F91-R114 HydrophobicContact CE1-CB 4.44Å; F91-R114 HydrophobicContact CE2-CB 4.07Å; F91-R114 HydrophobicContact CZ-CB 4.13Å; S99-R114 PolarHBondContact O-N 3.12Å
115	A	94.3	Very high	94.9	Very high	35 Å²	35	55.1 Å²	55.1	29%	0.289	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.4	172.8	0	0	0	0	0	109.6	D117 G118 V120	A115-D117 PolarHBondContact O-N 2.7Å; A115-G118 CarbonylContact C-O 3.57Å; A115-G118 WeakPolarHBondContact CA-O 3.14Å; A115-G118 PolarHBondContact N-O 3.42Å; A115-G118 PolarHBondContact O-N 3.28Å; A115-V120 HydrophobicContact CB-CG2 3.89Å
116	E	86	Confident	94.9	Very high	194 Å²	194	56.6 Å²	56.6	91%	0.907	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-46.9	-176.6	-68.2	-176.4	164.9	0	0	112.4
117	D	85.1	Confident	95.1	Very high	117 Å²	117	53.2 Å²	53.2	63%	0.626	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	30.8	179.1	-28.8	-62.2	0	0	0	114	A115 R275	A115-D117 PolarHBondContact O-N 2.7Å; D117-R275 VanDerWaalsContact CB-NH1 3.33Å; D117-R275 IonicContact OD2-CZ 3.95Å; D117-R275 IonicContact OD2-NH1 2.69Å; D117-R275 PolarHBondContact OD2-NH1 2.9Å
118	G	94.9	Very high	95.4	Very high	11 Å²	11	51 Å²	51	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-146.1	171.7	0	0	0	0	0	114.6	A115	A115-G118 CarbonylContact C-O 3.57Å; A115-G118 WeakPolarHBondContact CA-O 3.14Å; A115-G118 PolarHBondContact N-O 3.42Å; A115-G118 PolarHBondContact O-N 3.28Å
119	I	98.5	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.7	-175	-60.5	170	0	0	0	108.7	L84 A87 A88 F91 A112 R113 L121 R275 G276	L84-I119 HydrophobicContact CG-CB 4.26Å; L84-I119 HydrophobicContact CG-CG2 4.47Å; A87-I119 HydrophobicContact CB-CD1 3.98Å; A87-I119 HydrophobicContact CB-CG2 3.92Å; A88-I119 VanDerWaalsContact CA-CD1 3.43Å; A88-I119 HydrophobicContact CB-CD1 3.67Å; A88-I119 VanDerWaalsContact N-CD1 3.32Å; F91-I119 HydrophobicContact CD2-CD1 3.95Å; F91-I119 HydrophobicContact CD2-CG1 4.1Å; F91-I119 HydrophobicContact CE2-CG1 4.46Å; F91-I119 HydrophobicContact CE2-CG2 4.44Å; A112-I119 HydrophobicContact CB-CG2 4.01Å; R113-I119 CarbonylContact O-C 3.57Å; R113-I119 WeakPolarHBondContact O-CA 3.44Å; I119-L121 HydrophobicContact CG2-CD2 4.47Å; I119-R275 VanDerWaalsContact O-CA 3.31Å; I119-R275 WeakPolarHBondContact O-CA 3.49Å; I119-G276 PolarHBondContact N-O 3.48Å; I119-G276 PolarHBondContact O-N 2.67Å
120	V	98.4	Very high	95.7	Very high	17 Å²	17	54.4 Å²	54.4	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.1	177.4	-176.2	0	0	0	0	109.1	A112 R113 A115 D273 R275	A112-V120 CarbonylContact C-O 3.58Å; A112-V120 WeakPolarHBondContact CA-O 3.27Å; R113-V120 HydrophobicContact CB-CB 4.39Å; R113-V120 PolarHBondContact N-O 2.99Å; R113-V120 PolarHBondContact O-N 3.35Å; A115-V120 HydrophobicContact CB-CG2 3.89Å; V120-D273 HydrophobicContact CG1-CB 3.56Å; V120-R275 HydrophobicContact CG2-CB 4.02Å; V120-R275 HydrophobicContact CG2-CG 3.91Å
121	L	98.2	Very high	95.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.9	169.5	-61.9	-173.6	0	0	0	110.5	G80 T83 L84 A112 I119 L123 D273 I274	G80-L121 WeakPolarHBondContact O-CD1 3.49Å; T83-L121 HydrophobicContact CG2-CD2 3.89Å; L84-L121 HydrophobicContact CB-CD1 3.98Å; L84-L121 HydrophobicContact CB-CD2 4.43Å; L84-L121 HydrophobicContact CB-CG 4.33Å; L84-L121 HydrophobicContact CD1-CD1 4.47Å; L84-L121 HydrophobicContact CD1-CG 4.41Å; A112-L121 HydrophobicContact CB-CD2 3.75Å; I119-L121 HydrophobicContact CG2-CD2 4.47Å; L121-L123 HydrophobicContact CB-CD1 4.48Å; L121-L123 HydrophobicContact CB-CD2 4.5Å; L121-L123 HydrophobicContact CB-CG 4.15Å; L121-D273 WeakPolarHBondContact O-CA 3.37Å; L121-I274 PolarHBondContact N-O 3.47Å; L121-I274 PolarHBondContact O-N 3.19Å
122	D	96.2	Very high	95.8	Very high	14 Å²	14	53.5 Å²	53.5	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.6	172.1	-173.1	-8.8	0	0	0	109.8	R111 R267 R271	R111-D122 HydrophobicContact CB-CB 4.09Å; R111-D122 PolarHBondContact O-N 2.78Å; D122-R267 IonicContact OD1-NH1 2.77Å; D122-R267 PolarHBondContact OD1-NH1 3.19Å; D122-R267 IonicContact OD2-CZ 2.68Å; D122-R267 IonicContact OD2-NH1 3.42Å; D122-R267 PolarHBondContact OD2-NH1 3.04Å; D122-R267 IonicContact OD2-NH2 3.96Å; D122-R271 VanDerWaalsContact C-NH2 3.32Å; D122-R271 VanDerWaalsContact CG-NH2 3.34Å; D122-R271 PolarHBondContact O-NH2 3.44Å; D122-R271 IonicContact OD1-CZ 3.87Å; D122-R271 IonicContact OD1-NE 3.38Å; D122-R271 PolarHBondContact OD1-NE 3.12Å; D122-R271 IonicContact OD1-NH2 2.8Å; D122-R271 PolarHBondContact OD1-NH2 2.72Å; D122-R271 IonicContact OD2-NE 2.77Å; D122-R271 IonicContact OD2-NH2 3.89Å
123	L	94.4	Very high	95.6	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.8	-175.5	-63.1	-179.5	0	0	0	112.6	L110 L121 V272 I274	L110-L123 HydrophobicContact CD2-CD2 4.34Å; L121-L123 HydrophobicContact CB-CD1 4.48Å; L121-L123 HydrophobicContact CB-CD2 4.5Å; L121-L123 HydrophobicContact CB-CG 4.15Å; L123-V272 HydrophobicContact CB-CG1 4.13Å; L123-V272 PolarHBondContact N-O 3.46Å; L123-V272 PolarHBondContact O-N 3.45Å; L123-I274 HydrophobicContact CD1-CB 4.32Å; L123-I274 HydrophobicContact CD1-CG1 3.92Å
124	P	93.4	Very high	95.5	Very high	38 Å²	38	59.4 Å²	59.4	25%	0.247	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.7	167.2	-17.8	31.4	0	0	0	110.8	Y126 A235	P124-Y126 HydrophobicContact CB-CE1 4.08Å; P124-Y126 HydrophobicContact CB-CE2 4.05Å; P124-A235 WeakPolarHBondContact O-CB 3.47Å
125	L	96.2	Very high	95.4	Very high	38 Å²	38	59.5 Å²	59.5	20%	0.199	31%	0.313	C	S	.	.			trans	-86.6	130.5	167.7	-174.4	72.8	0	0	0	108.4	A235 L266 G270 V272	L125-A235 WeakPolarHBondContact CD1-O 3.33Å; L125-L266 HydrophobicContact CD1-CD2 4.48Å; L125-L266 HydrophobicContact CD1-CG 4.3Å; L125-L266 HydrophobicContact CD2-CD2 4.12Å; L125-L266 HydrophobicContact CD2-CG 4.42Å; L125-G270 VanDerWaalsContact CB-O 3.25Å; L125-G270 WeakPolarHBondContact CB-O 3.43Å; L125-V272 HydrophobicContact CB-CB 4.38Å; L125-V272 HydrophobicContact CB-CG1 4.43Å; L125-V272 HydrophobicContact CD1-CB 3.91Å; L125-V272 HydrophobicContact CD1-CG1 4.21Å; L125-V272 HydrophobicContact CD1-CG2 4.41Å
126	Y	96.2	Very high	95.6	Very high	50 Å²	50	58 Å²	58	20%	0.196	30%	0.3	C	S	.	.			trans	-111.3	114.1	-179.5	-65.5	-66.7	0	0	0	110.1	P124 D157 T158 A235 V236 S239	P124-Y126 HydrophobicContact CB-CE1 4.08Å; P124-Y126 HydrophobicContact CB-CE2 4.05Å; Y126-D157 HydrophobicContact CD1-CB 3.6Å; Y126-D157 HydrophobicContact CE1-CB 3.96Å; Y126-T158 HydrophobicContact CD1-CG2 3.9Å; Y126-T158 HydrophobicContact CD2-CG2 3.38Å; Y126-T158 HydrophobicContact CE1-CG2 4.2Å; Y126-T158 HydrophobicContact CE2-CG2 3.74Å; Y126-T158 HydrophobicContact CG-CG2 3.47Å; Y126-T158 VanDerWaalsContact CG-CG2 3.47Å; Y126-A235 HydrophobicContact CD2-CB 3.7Å; Y126-A235 HydrophobicContact CE2-CB 4.26Å; Y126-A235 PolarHBondContact N-O 3.4Å; Y126-V236 WeakPolarHBondContact O-CA 3.31Å; Y126-S239 WeakPolarHBondContact O-CB 3.46Å
127	P	96.8	Very high	96.1	Very high	52 Å²	52	51 Å²	51	34%	0.338	27%	0.267	S	S	.	.			trans	-59.4	147.1	171.8	-23.3	34.8	0	0	0	112.1	S155	P127-S155 WeakPolarHBondContact O-CB 3.44Å; P127-S155 PolarHBondContact O-OG 2.71Å
128	A	96.6	Very high	96.7	Very high	12 Å²	12	51 Å²	51	10%	0.099	27%	0.268	C	S	.	.			trans	-116.5	140.9	164.7	0	0	0	0	0	108	C153 Y154 V236	A128-C153 HydrophobicContact CB-CB 3.74Å; A128-Y154 WeakPolarHBondContact CA-O 3.38Å; A128-V236 HydrophobicContact CB-CG1 3.84Å
129	H	97.8	Very high	96.8	Very high	101 Å²	101	50.8 Å²	50.8	47%	0.468	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.7	-178.6	-57.7	-67.3	0	0	0	110	Q131 C153 Y154	H129-Q131 PolarHBondContact O-N 2.75Å; H129-C153 CarbonylContact O-C 3.4Å; H129-C153 WeakPolarHBondContact O-CA 3.17Å; H129-C153 WeakPolarHBondContact O-CB 3.4Å; H129-Y154 PolarHBondContact N-O 3.06Å; H129-Y154 PolarHBondContact O-N 2.98Å
130	P	98.3	Very high	96.8	Very high	116 Å²	116	51 Å²	51	75%	0.753	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50.7	135.7	175.3	-27.4	35.3	0	0	0	111.8
131	Q	98.1	Very high	96.8	Very high	24 Å²	24	54.6 Å²	54.6	11%	0.112	28%	0.279	C	S	.	.			trans	-119.3	128.7	180	169.8	60.4	74.8	0	0	108.8	H129 F133 E135 V136 I152 L161	H129-Q131 PolarHBondContact O-N 2.75Å; Q131-F133 PolarHBondContact O-N 2.87Å; Q131-E135 PolarHBondContact NE2-OE2 2.85Å; Q131-V136 HydrophobicContact CG-CG1 4.03Å; Q131-V136 HydrophobicContact CG-CG2 4.02Å; Q131-I152 HydrophobicContact CB-CG2 3.98Å; Q131-I152 HydrophobicContact CG-CG2 4.07Å; Q131-I152 PolarHBondContact N-O 3.39Å; Q131-L161 HydrophobicContact CB-CD1 4.48Å; Q131-L161 HydrophobicContact CG-CD1 3.98Å
132	D	97.2	Very high	96.8	Very high	85 Å²	85	56.3 Å²	56.3	46%	0.455	29%	0.29	S	S	.	.			trans	-60.4	127.6	174.6	-169.4	-24.4	0	0	0	109.5	H134 E135	D132-H134 VanDerWaalsContact C-N 3.3Å; D132-H134 PolarHBondContact O-N 2.86Å; D132-H134 IonicContact OD1-CG 2.6Å; D132-H134 PolarHBondContact OD1-N 2.86Å; D132-H134 IonicContact OD1-ND1 3.73Å; D132-H134 PolarHBondContact OD1-ND1 2.75Å; D132-E135 HydrophobicContact CB-CG 4.23Å; D132-E135 PolarHBondContact O-N 2.82Å
133	F	95.6	Very high	96.9	Very high	70 Å²	70	55.8 Å²	55.8	31%	0.307	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-58.3	-41.3	179.5	176.6	-120.7	0	0	0	111.9	Q131 E135 V136 E137 I140 I152	Q131-F133 PolarHBondContact O-N 2.87Å; F133-E135 PolarHBondContact O-N 2.83Å; F133-V136 CarbonylContact O-C 3.41Å; F133-V136 PolarHBondContact O-N 2.96Å; F133-E137 HydrophobicContact CD1-CB 4.45Å; F133-E137 HydrophobicContact CE1-CB 4.14Å; F133-E137 HydrophobicContact CE1-CG 3.76Å; F133-E137 HydrophobicContact CE2-CB 4.28Å; F133-E137 HydrophobicContact CE2-CG 4.3Å; F133-E137 HydrophobicContact CZ-CB 4.09Å; F133-E137 HydrophobicContact CZ-CG 3.67Å; F133-E137 WeakPolarHBondContact O-CA 3.3Å; F133-E137 WeakPolarHBondContact O-CB 3.28Å; F133-E137 PolarHBondContact O-N 3.35Å; F133-I140 HydrophobicContact CD2-CD1 3.99Å; F133-I140 HydrophobicContact CE2-CB 4.32Å; F133-I140 HydrophobicContact CE2-CD1 4.07Å; F133-I140 HydrophobicContact CE2-CG2 4.26Å; F133-I152 HydrophobicContact CB-CD1 3.81Å; F133-I152 HydrophobicContact CD2-CD1 3.3Å; F133-I152 HydrophobicContact CE2-CD1 4.22Å; F133-I152 HydrophobicContact CG-CD1 3.97Å
134	H	95.9	Very high	97.1	Very high	140 Å²	140	55.9 Å²	55.9	65%	0.648	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.4	-27.7	-174.7	-60.5	93.3	0	0	0	112.5	D132 V136	D132-H134 VanDerWaalsContact C-N 3.3Å; D132-H134 PolarHBondContact O-N 2.86Å; D132-H134 IonicContact OD1-CG 2.6Å; D132-H134 PolarHBondContact OD1-N 2.86Å; D132-H134 IonicContact OD1-ND1 3.73Å; D132-H134 PolarHBondContact OD1-ND1 2.75Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.38Å
135	E	96.3	Very high	97.2	Very high	126 Å²	126	55.7 Å²	55.7	59%	0.589	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-74.1	-19	177.1	-66.4	-175.3	-173.1	0	0	113.6	Q131 D132 F133 K192	Q131-E135 PolarHBondContact NE2-OE2 2.85Å; D132-E135 HydrophobicContact CB-CG 4.23Å; D132-E135 PolarHBondContact O-N 2.82Å; F133-E135 PolarHBondContact O-N 2.83Å; E135-K192 IonicContact OE2-NZ 3.03Å; E135-K192 PolarHBondContact OE2-NZ 3.08Å
136	V	97.1	Very high	97.2	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	12.2	-175.9	-62.8	0	0	0	0	112.3	Q131 F133 H134 D138 L139 I140 I152 L161	Q131-V136 HydrophobicContact CG-CG1 4.03Å; Q131-V136 HydrophobicContact CG-CG2 4.02Å; F133-V136 CarbonylContact O-C 3.41Å; F133-V136 PolarHBondContact O-N 2.96Å; H134-V136 VanDerWaalsContact C-N 3.29Å; H134-V136 PolarHBondContact O-N 3.38Å; V136-D138 PolarHBondContact O-N 3.45Å; V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.8Å; V136-I140 HydrophobicContact CG2-CD1 3.72Å; V136-I140 HydrophobicContact CG2-CG1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.34Å; V136-I140 PolarHBondContact O-N 3.26Å; V136-I152 HydrophobicContact CG2-CG2 4.09Å; V136-L161 HydrophobicContact CB-CD2 4.12Å; V136-L161 HydrophobicContact CG1-CD1 4.24Å; V136-L161 HydrophobicContact CG1-CD2 4.27Å; V136-L161 HydrophobicContact CG2-CD1 4.41Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å
137	E	97.1	Very high	97.3	Very high	48 Å²	48	59.6 Å²	59.6	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-48.2	-172.1	173.6	169.3	-166.4	0	0	111.1	F133 L139 I140 K141	F133-E137 HydrophobicContact CD1-CB 4.45Å; F133-E137 HydrophobicContact CE1-CB 4.14Å; F133-E137 HydrophobicContact CE1-CG 3.76Å; F133-E137 HydrophobicContact CE2-CB 4.28Å; F133-E137 HydrophobicContact CE2-CG 4.3Å; F133-E137 HydrophobicContact CZ-CB 4.09Å; F133-E137 HydrophobicContact CZ-CG 3.67Å; F133-E137 WeakPolarHBondContact O-CA 3.3Å; F133-E137 WeakPolarHBondContact O-CB 3.28Å; F133-E137 PolarHBondContact O-N 3.35Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.11Å; E137-I140 PolarHBondContact O-N 3.45Å; E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.36Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 3.61Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å
138	D	97.3	Very high	97.4	Very high	118 Å²	118	61.8 Å²	61.8	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-61.3	-38.9	178.8	-71.4	-25.1	0	0	0	111.5	V136 T142 V187	V136-D138 PolarHBondContact O-N 3.45Å; D138-T142 WeakPolarHBondContact O-CB 3.42Å; D138-T142 PolarHBondContact O-N 3.35Å; D138-T142 PolarHBondContact O-OG1 2.91Å; D138-V187 HydrophobicContact CB-CG1 3.73Å
139	L	98	Very high	97.5	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-46.9	177.9	178.6	61.2	0	0	0	111.1	V136 E137 T142 A143 L161 L184 V187 E188 V193 W221	V136-L139 WeakPolarHBondContact O-CB 3.38Å; V136-L139 PolarHBondContact O-N 2.8Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.11Å; L139-T142 PolarHBondContact O-N 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 2.9Å; L139-L161 HydrophobicContact CD2-CD2 3.84Å; L139-L184 HydrophobicContact CD1-CB 4.15Å; L139-L184 HydrophobicContact CD1-CD2 3.67Å; L139-L184 HydrophobicContact CD1-CG 4.39Å; L139-V187 HydrophobicContact CB-CG1 4.22Å; L139-E188 HydrophobicContact CD1-CB 3.93Å; L139-E188 HydrophobicContact CD2-CB 4.14Å; L139-E188 HydrophobicContact CD2-CG 4.35Å; L139-V193 HydrophobicContact CD2-CB 4.25Å; L139-V193 HydrophobicContact CD2-CG1 4.29Å; L139-V193 HydrophobicContact CD2-CG2 4.17Å; L139-W221 HydrophobicContact CD1-CH2 4.2Å; L139-W221 HydrophobicContact CD1-CZ2 3.94Å; L139-W221 HydrophobicContact CD2-CH2 4.5Å; L139-W221 HydrophobicContact CD2-CZ2 4.45Å
140	I	98.2	Very high	97.5	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-48	179.6	-67.8	175.6	0	0	0	110.5	F133 V136 E137 T142 A143 I144 V149 I152 L161 V163	F133-I140 HydrophobicContact CD2-CD1 3.99Å; F133-I140 HydrophobicContact CE2-CB 4.32Å; F133-I140 HydrophobicContact CE2-CD1 4.07Å; F133-I140 HydrophobicContact CE2-CG2 4.26Å; V136-I140 HydrophobicContact CG2-CD1 3.72Å; V136-I140 HydrophobicContact CG2-CG1 4.37Å; V136-I140 WeakPolarHBondContact O-CG1 3.34Å; V136-I140 PolarHBondContact O-N 3.26Å; E137-I140 PolarHBondContact O-N 3.45Å; I140-T142 VanDerWaalsContact C-N 3.28Å; I140-T142 PolarHBondContact O-N 3.15Å; I140-A143 PolarHBondContact O-N 2.8Å; I140-A143 VanDerWaalsContact O-N 3.14Å; I140-I144 HydrophobicContact CG2-CD1 3.88Å; I140-I144 HydrophobicContact CG2-CG1 3.86Å; I140-I144 VanDerWaalsContact O-CG1 3.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.33Å; I140-I144 PolarHBondContact O-N 2.86Å; I140-V149 HydrophobicContact CG2-CG2 4.09Å; I140-I152 HydrophobicContact CD1-CD1 3.45Å; I140-I152 VanDerWaalsContact CD1-CD1 3.45Å; I140-I152 HydrophobicContact CD1-CG1 3.98Å; I140-I152 HydrophobicContact CD1-CG2 4.14Å; I140-L161 HydrophobicContact CG1-CD2 4.35Å; I140-V163 HydrophobicContact CD1-CG2 3.96Å; I140-V163 HydrophobicContact CG1-CG2 4.03Å
141	K	98.1	Very high	97.4	Very high	92 Å²	92	60 Å²	60	40%	0.4	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-37.1	178.5	-77.2	-177.9	169.6	173.3	0	112.1	E137 G145	E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.36Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 3.61Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å; K141-G145 WeakPolarHBondContact O-CA 3.48Å; K141-G145 PolarHBondContact O-N 3.3Å
142	T	98.3	Very high	97.5	Very high	38 Å²	38	59.4 Å²	59.4	23%	0.233	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-44.5	174.3	-62.1	0	0	0	0	110.9	D138 L139 I140 N180 N183 L184 V187	D138-T142 WeakPolarHBondContact O-CB 3.42Å; D138-T142 PolarHBondContact O-N 3.35Å; D138-T142 PolarHBondContact O-OG1 2.91Å; L139-T142 PolarHBondContact O-N 3.25Å; I140-T142 VanDerWaalsContact C-N 3.28Å; I140-T142 PolarHBondContact O-N 3.15Å; T142-N180 WeakPolarHBondContact O-CB 3.25Å; T142-N183 HydrophobicContact CG2-CB 3.59Å; T142-L184 HydrophobicContact CG2-CD2 4.03Å; T142-V187 HydrophobicContact CG2-CG2 4.08Å
143	A	98.2	Very high	97.5	Very high	3 Å²	3	55.6 Å²	55.6	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-49.6	-177.6	0	0	0	0	0	113	L139 I140 V179 N180 L184 L196	L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 2.9Å; I140-A143 PolarHBondContact O-N 2.8Å; I140-A143 VanDerWaalsContact O-N 3.14Å; A143-V179 HydrophobicContact CB-CG1 4.24Å; A143-V179 WeakPolarHBondContact O-CA 3.19Å; A143-N180 PolarHBondContact O-N 3.1Å; A143-N180 VanDerWaalsContact O-N 3.13Å; A143-L184 HydrophobicContact CB-CD2 3.69Å; A143-L196 HydrophobicContact CB-CD2 3.6Å
144	I	98.2	Very high	97.7	Very high	9 Å²	9	54 Å²	54	5%	0.046	28%	0.28	C	S	.	.	H	α-helix	trans	-130.5	10.9	-165.2	62.8	170.4	0	0	0	114	I140 N146 T147 V149 V163 L165 L177 V179 L198	I140-I144 HydrophobicContact CG2-CD1 3.88Å; I140-I144 HydrophobicContact CG2-CG1 3.86Å; I140-I144 VanDerWaalsContact O-CG1 3.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.33Å; I140-I144 PolarHBondContact O-N 2.86Å; I144-N146 PolarHBondContact O-N 3.45Å; I144-T147 HydrophobicContact CD1-CG2 4.33Å; I144-T147 VanDerWaalsContact O-CB 3.26Å; I144-T147 WeakPolarHBondContact O-CB 3.32Å; I144-T147 PolarHBondContact O-N 3Å; I144-T147 PolarHBondContact O-OG1 2.89Å; I144-V149 HydrophobicContact CD1-CG2 3.97Å; I144-V163 HydrophobicContact CD1-CG1 4.21Å; I144-L165 HydrophobicContact CD1-CD2 3.65Å; I144-L177 HydrophobicContact CB-CD2 4.36Å; I144-L177 HydrophobicContact CG2-CD2 3.83Å; I144-L177 HydrophobicContact CG2-CG 4.49Å; I144-V179 HydrophobicContact CG2-CG2 4.25Å; I144-L198 HydrophobicContact CG2-CD1 3.65Å; I144-L198 HydrophobicContact CG2-CD2 4.14Å
145	G	96.5	Very high	97.8	Very high	34 Å²	34	47.3 Å²	47.3	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-135.3	178.6	0	0	0	0	0	112.6	K141 T147	K141-G145 WeakPolarHBondContact O-CA 3.48Å; K141-G145 PolarHBondContact O-N 3.3Å; G145-T147 VanDerWaalsContact C-N 3.26Å; G145-T147 PolarHBondContact O-N 3.33Å
146	N	95.9	Very high	97.8	Very high	148 Å²	148	44.4 Å²	44.4	79%	0.791	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	22.1	178.9	-62	-37.7	0	0	0	113.1	I144 L148	I144-N146 PolarHBondContact O-N 3.45Å; N146-L148 PolarHBondContact O-N 2.95Å
147	T	98.3	Very high	97.7	Very high	22 Å²	22	49.7 Å²	49.7	14%	0.135	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-58.8	132	175.1	-62	0	0	0	0	109.5	I144 G145 V149 L165 Y169 F173	I144-T147 HydrophobicContact CD1-CG2 4.33Å; I144-T147 VanDerWaalsContact O-CB 3.26Å; I144-T147 WeakPolarHBondContact O-CB 3.32Å; I144-T147 PolarHBondContact O-N 3Å; I144-T147 PolarHBondContact O-OG1 2.89Å; G145-T147 VanDerWaalsContact C-N 3.26Å; G145-T147 PolarHBondContact O-N 3.33Å; T147-V149 PolarHBondContact O-N 3.49Å; T147-L165 HydrophobicContact CG2-CD1 4.38Å; T147-L165 HydrophobicContact CG2-CD2 4.01Å; T147-Y169 HydrophobicContact CG2-CD2 4.38Å; T147-Y169 HydrophobicContact CG2-CE2 3.65Å; T147-F173 HydrophobicContact CG2-CE1 3.73Å; T147-F173 HydrophobicContact CG2-CZ 3.79Å
148	L	98.2	Very high	97.5	Very high	99 Å²	99	48.6 Å²	48.6	52%	0.518	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-69.1	125.6	-176.7	-62.2	176.3	0	0	0	111.1	N146 S166 V168 Y169	N146-L148 PolarHBondContact O-N 2.95Å; L148-S166 WeakPolarHBondContact O-CB 3.43Å; L148-S166 PolarHBondContact O-N 2.59Å; L148-V168 HydrophobicContact CD1-CG2 4.46Å; L148-Y169 HydrophobicContact CB-CE2 3.92Å; L148-Y169 PolarHBondContact N-OH 2.57Å; L148-Y169 VanDerWaalsContact N-OH 3.1Å; L148-Y169 WeakPolarHBondContact O-CE2 3.24Å
149	V	98.3	Very high	97.5	Very high	46 Å²	46	45.5 Å²	45.5	28%	0.279	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.7	178.6	176.2	0	0	0	0	109.4	I140 I144 T147 D151 I152 V163 R164	I140-V149 HydrophobicContact CG2-CG2 4.09Å; I144-V149 HydrophobicContact CD1-CG2 3.97Å; T147-V149 PolarHBondContact O-N 3.49Å; V149-D151 WeakPolarHBondContact CG1-O 3.46Å; V149-I152 HydrophobicContact CG1-CD1 4.04Å; V149-I152 HydrophobicContact CG1-CG1 3.54Å; V149-V163 HydrophobicContact CB-CG1 4.34Å; V149-V163 HydrophobicContact CG1-CG1 3.71Å; V149-V163 HydrophobicContact CG2-CG1 3.64Å; V149-R164 WeakPolarHBondContact CG1-O 2.83Å
150	Q	97.9	Very high	97.5	Very high	100 Å²	100	45.5 Å²	45.5	47%	0.467	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-40.6	177.6	-174.6	58.8	71.1	0	0	112.4	R164	Q150-R164 HydrophobicContact CB-CB 4.48Å; Q150-R164 HydrophobicContact CB-CG 4.06Å; Q150-R164 PolarHBondContact N-O 3.29Å
151	D	97.7	Very high	97.6	Very high	44 Å²	44	45.3 Å²	45.3	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	151.9	-173.7	-169.9	14	0	0	0	110.4	V149 R164 Y240 H244	V149-D151 WeakPolarHBondContact CG1-O 3.46Å; D151-R164 HydrophobicContact CB-CB 4.11Å; D151-R164 PolarHBondContact N-O 3.15Å; D151-R164 PolarHBondContact O-N 3.3Å; D151-Y240 WeakPolarHBondContact CB-OH 3.48Å; D151-Y240 WeakPolarHBondContact OD2-CE2 3.25Å; D151-Y240 PolarHBondContact OD2-OH 2.88Å; D151-H244 IonicContact OD2-CE1 2.79Å; D151-H244 IonicContact OD2-NE2 2.78Å
152	I	98.6	Very high	97.6	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.6	-178.5	-52.9	165.7	0	0	0	107.8	Q131 F133 V136 I140 V149 L161 L162	Q131-I152 HydrophobicContact CB-CG2 3.98Å; Q131-I152 HydrophobicContact CG-CG2 4.07Å; Q131-I152 PolarHBondContact N-O 3.39Å; F133-I152 HydrophobicContact CB-CD1 3.81Å; F133-I152 HydrophobicContact CD2-CD1 3.3Å; F133-I152 HydrophobicContact CE2-CD1 4.22Å; F133-I152 HydrophobicContact CG-CD1 3.97Å; V136-I152 HydrophobicContact CG2-CG2 4.09Å; I140-I152 HydrophobicContact CD1-CD1 3.45Å; I140-I152 VanDerWaalsContact CD1-CD1 3.45Å; I140-I152 HydrophobicContact CD1-CG1 3.98Å; I140-I152 HydrophobicContact CD1-CG2 4.14Å; V149-I152 HydrophobicContact CG1-CD1 4.04Å; V149-I152 HydrophobicContact CG1-CG1 3.54Å; I152-L161 HydrophobicContact CG2-CD1 3.75Å; I152-L161 HydrophobicContact CG2-CG 4.44Å; I152-L162 WeakPolarHBondContact CA-O 3.39Å
153	C	98.7	Very high	97.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.3	178.7	-69.3	0	0	0	0	110.6	A128 H129 L162 Y240	A128-C153 HydrophobicContact CB-CB 3.74Å; H129-C153 CarbonylContact O-C 3.4Å; H129-C153 WeakPolarHBondContact O-CA 3.17Å; H129-C153 WeakPolarHBondContact O-CB 3.4Å; C153-L162 HydrophobicContact CB-CB 4.36Å; C153-L162 PolarHBondContact N-O 3.46Å; C153-L162 PolarHBondContact O-N 3.23Å; C153-Y240 HydrophobicContact CB-CD2 4.47Å
154	Y	98.6	Very high	97.6	Very high	35 Å²	35	40.2 Å²	40.2	14%	0.137	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.8	176.5	176.9	-107.8	0	0	0	110.4	A128 H129 P156 Q159 K160 K192 V193	A128-Y154 WeakPolarHBondContact CA-O 3.38Å; H129-Y154 PolarHBondContact N-O 3.06Å; H129-Y154 PolarHBondContact O-N 2.98Å; Y154-P156 HydrophobicContact CD1-CB 4.47Å; Y154-P156 HydrophobicContact CE1-CB 3.91Å; Y154-Q159 WeakPolarHBondContact OH-CA 3.5Å; Y154-K160 WeakPolarHBondContact CD2-O 2.93Å; Y154-K192 HydrophobicContact CE2-CG 4.39Å; Y154-K192 PolarHBondContact OH-O 2.66Å; Y154-V193 HydrophobicContact CD2-CG2 4.44Å; Y154-V193 HydrophobicContact CE2-CG2 4.22Å
155	S	98.3	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	105	174.3	179.7	0	0	0	0	109.4	P127 D157 T158 Q159 K160	P127-S155 WeakPolarHBondContact O-CB 3.44Å; P127-S155 PolarHBondContact O-OG 2.71Å; S155-D157 VanDerWaalsContact C-N 3.35Å; S155-D157 PolarHBondContact O-N 2.88Å; S155-T158 VanDerWaalsContact CB-OG1 3.31Å; S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 3.19Å; S155-T158 PolarHBondContact OG-OG1 3.18Å; S155-T158 VanDerWaalsContact OG-OG1 3.07Å; S155-Q159 WeakPolarHBondContact O-CA 3.35Å; S155-Q159 PolarHBondContact O-N 3.05Å; S155-K160 PolarHBondContact N-O 2.74Å; S155-K160 PolarHBondContact O-N 3.42Å
156	P	96.4	Very high	97.7	Very high	65 Å²	65	39 Å²	39	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-37	-176.1	24.8	-33.1	0	0	0	112.8	Y154 T158 Q159	Y154-P156 HydrophobicContact CD1-CB 4.47Å; Y154-P156 HydrophobicContact CE1-CB 3.91Å; P156-T158 PolarHBondContact O-N 2.91Å; P156-Q159 PolarHBondContact O-N 3.03Å
157	D	94.1	Very high	97.7	Very high	114 Å²	114	35.7 Å²	35.7	61%	0.61	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.4	-179.5	-61.5	-52.9	0	0	0	113	Y126 S155	Y126-D157 HydrophobicContact CD1-CB 3.6Å; Y126-D157 HydrophobicContact CE1-CB 3.96Å; S155-D157 VanDerWaalsContact C-N 3.35Å; S155-D157 PolarHBondContact O-N 2.88Å
158	T	94.5	Very high	97.7	Very high	25 Å²	25	39.8 Å²	39.8	15%	0.153	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-5.6	-177.7	64.2	0	0	0	0	113.7	Y126 S155 P156 K160 V236	Y126-T158 HydrophobicContact CD1-CG2 3.9Å; Y126-T158 HydrophobicContact CD2-CG2 3.38Å; Y126-T158 HydrophobicContact CE1-CG2 4.2Å; Y126-T158 HydrophobicContact CE2-CG2 3.74Å; Y126-T158 HydrophobicContact CG-CG2 3.47Å; Y126-T158 VanDerWaalsContact CG-CG2 3.47Å; S155-T158 VanDerWaalsContact CB-OG1 3.31Å; S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 3.19Å; S155-T158 PolarHBondContact OG-OG1 3.18Å; S155-T158 VanDerWaalsContact OG-OG1 3.07Å; P156-T158 PolarHBondContact O-N 2.91Å; T158-K160 PolarHBondContact O-N 2.8Å; T158-K160 WeakPolarHBondContact OG1-CG 3.25Å; T158-V236 HydrophobicContact CG2-CG2 4.11Å; T158-V236 WeakPolarHBondContact OG1-CG2 3.34Å
159	Q	97.1	Very high	97.6	Very high	53 Å²	53	37.5 Å²	37.5	25%	0.248	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	30.5	-174.1	-54.8	-167.8	-104.3	0	0	113.6	Y154 S155 P156 G191 K192 V193 K194 G195	Y154-Q159 WeakPolarHBondContact OH-CA 3.5Å; S155-Q159 WeakPolarHBondContact O-CA 3.35Å; S155-Q159 PolarHBondContact O-N 3.05Å; P156-Q159 PolarHBondContact O-N 3.03Å; Q159-G191 PolarHBondContact NE2-O 2.8Å; Q159-K192 WeakPolarHBondContact CB-O 3.35Å; Q159-K192 PolarHBondContact NE2-O 3.5Å; Q159-V193 WeakPolarHBondContact O-CA 3.41Å; Q159-K194 HydrophobicContact CB-CB 4.09Å; Q159-K194 HydrophobicContact CB-CD 4.46Å; Q159-K194 HydrophobicContact CB-CG 4.17Å; Q159-K194 PolarHBondContact O-N 3.19Å; Q159-K194 VanDerWaalsContact OE1-CE 3.23Å; Q159-G195 PolarHBondContact O-N 3.06Å
160	K	98.3	Very high	97.4	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.7	-179	-63.5	-172	-175.1	95.5	0	110.9	Y154 S155 T158 G195 I197 Y217 S232 A233 V236	Y154-K160 WeakPolarHBondContact CD2-O 2.93Å; S155-K160 PolarHBondContact N-O 2.74Å; S155-K160 PolarHBondContact O-N 3.42Å; T158-K160 PolarHBondContact O-N 2.8Å; T158-K160 WeakPolarHBondContact OG1-CG 3.25Å; K160-G195 CarbonylContact C-O 3.6Å; K160-G195 WeakPolarHBondContact CA-O 3.05Å; K160-I197 HydrophobicContact CB-CD1 3.98Å; K160-I197 HydrophobicContact CB-CG1 4.47Å; K160-I197 HydrophobicContact CD-CD1 3.82Å; K160-I197 HydrophobicContact CD-CG1 4.28Å; K160-Y217 HydrophobicContact CD-CE2 3.64Å; K160-Y217 VanDerWaalsContact CE-OH 3.24Å; K160-Y217 WeakPolarHBondContact CE-OH 3.22Å; K160-Y217 HydrophobicContact CG-CE2 4.13Å; K160-S232 VanDerWaalsContact NZ-CB 3.29Å; K160-S232 PolarHBondContact NZ-O 3.21Å; K160-S232 PolarHBondContact NZ-OG 2.97Å; K160-A233 HydrophobicContact CD-CB 4.3Å; K160-V236 HydrophobicContact CD-CG2 4.3Å
161	L	98.7	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.3	167.8	-174.1	69.4	0	0	0	108.8	Q131 V136 L139 I140 I152 V163 V193 G195 L196 I197	Q131-L161 HydrophobicContact CB-CD1 4.48Å; Q131-L161 HydrophobicContact CG-CD1 3.98Å; V136-L161 HydrophobicContact CB-CD2 4.12Å; V136-L161 HydrophobicContact CG1-CD1 4.24Å; V136-L161 HydrophobicContact CG1-CD2 4.27Å; V136-L161 HydrophobicContact CG2-CD1 4.41Å; V136-L161 HydrophobicContact CG2-CD2 4.34Å; L139-L161 HydrophobicContact CD2-CD2 3.84Å; I140-L161 HydrophobicContact CG1-CD2 4.35Å; I152-L161 HydrophobicContact CG2-CD1 3.75Å; I152-L161 HydrophobicContact CG2-CG 4.44Å; L161-V163 HydrophobicContact CD2-CG2 4.25Å; L161-V163 HydrophobicContact CG-CG2 4.2Å; L161-V193 HydrophobicContact CB-CG1 3.72Å; L161-V193 HydrophobicContact CB-CG2 4.01Å; L161-G195 PolarHBondContact N-O 2.7Å; L161-L196 HydrophobicContact CB-CD1 4.47Å; L161-L196 HydrophobicContact CD2-CD1 4.19Å; L161-L196 HydrophobicContact CG-CD1 4.47Å; L161-I197 PolarHBondContact O-N 2.68Å
162	L	98.8	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121	174.5	-177.2	160.8	0	0	0	109.1	I152 C153 R164 I197 T199 V236 L237 Y240	I152-L162 WeakPolarHBondContact CA-O 3.39Å; C153-L162 HydrophobicContact CB-CB 4.36Å; C153-L162 PolarHBondContact N-O 3.46Å; C153-L162 PolarHBondContact O-N 3.23Å; L162-R164 HydrophobicContact CD2-CB 4.37Å; L162-I197 HydrophobicContact CB-CB 4.38Å; L162-I197 HydrophobicContact CB-CD1 4.48Å; L162-I197 HydrophobicContact CG-CB 4.47Å; L162-I197 HydrophobicContact CG-CG2 4.36Å; L162-T199 HydrophobicContact CD2-CG2 3.83Å; L162-T199 HydrophobicContact CG-CG2 4.18Å; L162-V236 HydrophobicContact CD1-CG1 4.3Å; L162-L237 HydrophobicContact CD1-CD2 3.78Å; L162-L237 HydrophobicContact CD1-CG 4.3Å; L162-L237 HydrophobicContact CG-CD2 4.42Å; L162-Y240 HydrophobicContact CD1-CD1 4.26Å; L162-Y240 HydrophobicContact CD1-CD2 4.3Å; L162-Y240 HydrophobicContact CD1-CG 3.86Å; L162-Y240 HydrophobicContact CD2-CD1 4.28Å; L162-Y240 HydrophobicContact CD2-CD2 4.15Å; L162-Y240 HydrophobicContact CD2-CE1 4.31Å; L162-Y240 HydrophobicContact CD2-CE2 4.15Å; L162-Y240 HydrophobicContact CD2-CG 4.22Å
163	V	98.8	Very high	97.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.6	175.7	-176.3	0	0	0	0	107.8	I140 I144 V149 L161 L165 L196 I197 L198 T199	I140-V163 HydrophobicContact CD1-CG2 3.96Å; I140-V163 HydrophobicContact CG1-CG2 4.03Å; I144-V163 HydrophobicContact CD1-CG1 4.21Å; V149-V163 HydrophobicContact CB-CG1 4.34Å; V149-V163 HydrophobicContact CG1-CG1 3.71Å; V149-V163 HydrophobicContact CG2-CG1 3.64Å; L161-V163 HydrophobicContact CD2-CG2 4.25Å; L161-V163 HydrophobicContact CG-CG2 4.2Å; V163-L165 HydrophobicContact CG1-CD2 4.17Å; V163-L196 HydrophobicContact CG2-CD1 3.72Å; V163-I197 PolarHBondContact N-O 2.99Å; V163-L198 HydrophobicContact CB-CD2 3.91Å; V163-L198 HydrophobicContact CG1-CD2 4.39Å; V163-L198 HydrophobicContact CG2-CD2 4.47Å; V163-L198 WeakPolarHBondContact O-CA 3.37Å; V163-T199 PolarHBondContact O-N 2.7Å
164	R	98.7	Very high	97.1	Very high	25 Å²	25	39.6 Å²	39.6	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.7	171.7	-179.7	-175.2	165.5	-170	-3.3	108.3	V149 Q150 D151 L162 D167 T199 Y240 W241	V149-R164 WeakPolarHBondContact CG1-O 2.83Å; Q150-R164 HydrophobicContact CB-CB 4.48Å; Q150-R164 HydrophobicContact CB-CG 4.06Å; Q150-R164 PolarHBondContact N-O 3.29Å; D151-R164 HydrophobicContact CB-CB 4.11Å; D151-R164 PolarHBondContact N-O 3.15Å; D151-R164 PolarHBondContact O-N 3.3Å; L162-R164 HydrophobicContact CD2-CB 4.37Å; R164-D167 IonicContact CZ-OD1 3.92Å; R164-D167 IonicContact NE-OD1 2.92Å; R164-D167 VanDerWaalsContact NH2-CG 3.35Å; R164-D167 IonicContact NH2-OD1 3.72Å; R164-D167 PolarHBondContact NH2-OD1 2.95Å; R164-D167 IonicContact NH2-OD2 3.87Å; R164-D167 PolarHBondContact NH2-OD2 2.99Å; R164-D167 VanDerWaalsContact NH2-OD2 3.07Å; R164-T199 WeakPolarHBondContact CA-O 3.23Å; R164-T199 HydrophobicContact CB-CG2 3.99Å; R164-T199 HydrophobicContact CG-CG2 4.33Å; R164-Y240 HydrophobicContact CB-CE1 4.42Å; R164-Y240 WeakPolarHBondContact CD-OH 3.44Å; R164-W241 HydrophobicContact CG-CH2 4.14Å; R164-W241 HydrophobicContact CG-CZ2 4.26Å
165	L	98.7	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	159.1	175.7	-51.2	-178.2	0	0	0	110.6	I144 T147 V163 Y169 F173 L174 L177 T199 L200	I144-L165 HydrophobicContact CD1-CD2 3.65Å; T147-L165 HydrophobicContact CG2-CD1 4.38Å; T147-L165 HydrophobicContact CG2-CD2 4.01Å; V163-L165 HydrophobicContact CG1-CD2 4.17Å; L165-Y169 HydrophobicContact CB-CD2 4.11Å; L165-F173 HydrophobicContact CD1-CD1 4.49Å; L165-F173 HydrophobicContact CD1-CE1 4.22Å; L165-L174 HydrophobicContact CD1-CD1 3.97Å; L165-L177 HydrophobicContact CD1-CD2 4.04Å; L165-T199 PolarHBondContact N-O 2.85Å; L165-L200 HydrophobicContact CB-CD2 3.57Å; L165-L200 HydrophobicContact CB-CG 4.06Å; L165-L200 HydrophobicContact CD1-CG 4.35Å
166	S	98	Very high	97	Very high	17 Å²	17	46.7 Å²	46.7	12%	0.119	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.5	141.9	178.2	-177.9	0	0	0	0	112.6	L148 V168 Y169 L200	L148-S166 WeakPolarHBondContact O-CB 3.43Å; L148-S166 PolarHBondContact O-N 2.59Å; S166-V168 PolarHBondContact O-N 3.48Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å; S166-Y169 PolarHBondContact O-N 3.07Å; S166-L200 WeakPolarHBondContact O-CD2 3.35Å
167	D	95.8	Very high	97.1	Very high	79 Å²	79	44.6 Å²	44.6	42%	0.422	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.8	179	-69.5	0.9	0	0	0	113.1	R164 Y169	R164-D167 IonicContact CZ-OD1 3.92Å; R164-D167 IonicContact NE-OD1 2.92Å; R164-D167 VanDerWaalsContact NH2-CG 3.35Å; R164-D167 IonicContact NH2-OD1 3.72Å; R164-D167 PolarHBondContact NH2-OD1 2.95Å; R164-D167 IonicContact NH2-OD2 3.87Å; R164-D167 PolarHBondContact NH2-OD2 2.99Å; R164-D167 VanDerWaalsContact NH2-OD2 3.07Å; D167-Y169 PolarHBondContact O-N 3.28Å
168	V	96.6	Very high	97.2	Very high	109 Å²	109	48.1 Å²	48.1	66%	0.661	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.7	168.9	-56.6	0	0	0	0	112.7	L148 S166	L148-V168 HydrophobicContact CD1-CG2 4.46Å; S166-V168 PolarHBondContact O-N 3.48Å
169	Y	96.6	Very high	97.4	Very high	51 Å²	51	48 Å²	48	20%	0.2	24%	0.241	C	C	.	.			trans	-96.2	152	178.6	-55.1	-58.1	0	0	0	111.3	T147 L148 L165 S166 D167 F173	T147-Y169 HydrophobicContact CG2-CD2 4.38Å; T147-Y169 HydrophobicContact CG2-CE2 3.65Å; L148-Y169 HydrophobicContact CB-CE2 3.92Å; L148-Y169 PolarHBondContact N-OH 2.57Å; L148-Y169 VanDerWaalsContact N-OH 3.1Å; L148-Y169 WeakPolarHBondContact O-CE2 3.24Å; L165-Y169 HydrophobicContact CB-CD2 4.11Å; S166-Y169 WeakPolarHBondContact O-CD2 3.3Å; S166-Y169 PolarHBondContact O-N 3.07Å; D167-Y169 PolarHBondContact O-N 3.28Å; Y169-F173 HydrophobicContact CD1-CB 4.32Å; Y169-F173 AromaticContact CD1-CD1 3.66Å; Y169-F173 HydrophobicContact CD1-CD1 3.66Å; Y169-F173 AromaticContact CD1-CD2 3.58Å; Y169-F173 HydrophobicContact CD1-CD2 3.58Å; Y169-F173 AromaticContact CD1-CE1 3.77Å; Y169-F173 HydrophobicContact CD1-CE1 3.77Å; Y169-F173 AromaticContact CD1-CE2 3.7Å; Y169-F173 HydrophobicContact CD1-CE2 3.7Å; Y169-F173 AromaticContact CD1-CG 3.56Å; Y169-F173 HydrophobicContact CD1-CG 3.56Å; Y169-F173 AromaticContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD2-CD1 4.14Å; Y169-F173 AromaticContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CZ 4.47Å; Y169-F173 HydrophobicContact CE1-CD1 4.34Å; Y169-F173 AromaticContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CE1 4Å; Y169-F173 AromaticContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CG 4.33Å; Y169-F173 AromaticContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.16Å; Y169-F173 HydrophobicContact CE2-CZ 4.32Å; Y169-F173 HydrophobicContact CG-CB 4.49Å; Y169-F173 AromaticContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD2 4.32Å; Y169-F173 AromaticContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE2 4.49Å; Y169-F173 AromaticContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CZ 4.22Å; Y169-F173 AromaticContact CZ-CZ 3.9Å
170	N	94.5	Very high	97.4	Very high	69 Å²	69	48 Å²	48	37%	0.369	24%	0.243	S	C	.	.			trans	-117.6	-178.9	179.3	62.3	18.9	0	0	0	111.6	S172 F173 L174 L200 E203	N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.45Å; N170-S172 PolarHBondContact OD1-N 2.82Å; N170-F173 WeakPolarHBondContact O-CB 3.42Å; N170-F173 PolarHBondContact O-N 3.42Å; N170-F173 VanDerWaalsContact O-N 3.1Å; N170-F173 PolarHBondContact OD1-N 2.81Å; N170-L174 PolarHBondContact O-N 2.86Å; N170-L200 VanDerWaalsContact O-CD1 3.25Å; N170-L200 WeakPolarHBondContact O-CD1 3.47Å; N170-E203 WeakPolarHBondContact CB-OE1 3.49Å
171	R	95.1	Very high	97.2	Very high	58 Å²	58	49 Å²	49	22%	0.219	25%	0.25	C	S	.	.	H	α-helix	trans	-50.9	-46.6	176.9	179.6	-176.6	170.1	138	8.8	112.7	F173 L174 E175 E203 Y214 F253	R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 PolarHBondContact O-N 3.34Å; R171-L174 PolarHBondContact O-N 3.11Å; R171-L174 VanDerWaalsContact O-N 3.14Å; R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 3.07Å; R171-E175 VanDerWaalsContact CZ-OE1 3.29Å; R171-E175 IonicContact NE-OE1 3.66Å; R171-E175 PolarHBondContact NE-OE1 2.51Å; R171-E175 IonicContact NE-OE2 2.72Å; R171-E175 IonicContact NH2-OE1 2.84Å; R171-E175 PolarHBondContact NH2-OE1 2.83Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.22Å; R171-E203 PolarHBondContact N-OE2 2.82Å; R171-Y214 HydrophobicContact CB-CD1 4.43Å; R171-Y214 HydrophobicContact CB-CD2 4.09Å; R171-Y214 HydrophobicContact CB-CE1 4.23Å; R171-Y214 HydrophobicContact CB-CE2 3.81Å; R171-Y214 HydrophobicContact CB-CG 4.39Å; R171-Y214 HydrophobicContact CG-CD1 4.06Å; R171-Y214 HydrophobicContact CG-CE1 3.96Å; R171-Y214 HydrophobicContact CG-CE2 4.42Å; R171-Y214 HydrophobicContact CG-CG 4.39Å; R171-F253 VanDerWaalsContact NH2-CZ 3.28Å
172	S	95.4	Very high	96.8	Very high	64 Å²	64	56.6 Å²	56.6	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-37.5	-178.2	-178	0	0	0	0	111.8	N170 N176	N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.45Å; N170-S172 PolarHBondContact OD1-N 2.82Å; S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.32Å; S172-N176 PolarHBondContact O-ND2 3.44Å
173	F	97.7	Very high	96.6	Very high	60 Å²	60	59.7 Å²	59.7	26%	0.263	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-49.1	174.5	178.5	-90.5	0	0	0	111.2	T147 L165 Y169 N170 R171 E175 N176 L177	T147-F173 HydrophobicContact CG2-CE1 3.73Å; T147-F173 HydrophobicContact CG2-CZ 3.79Å; L165-F173 HydrophobicContact CD1-CD1 4.49Å; L165-F173 HydrophobicContact CD1-CE1 4.22Å; Y169-F173 HydrophobicContact CD1-CB 4.32Å; Y169-F173 AromaticContact CD1-CD1 3.66Å; Y169-F173 HydrophobicContact CD1-CD1 3.66Å; Y169-F173 AromaticContact CD1-CD2 3.58Å; Y169-F173 HydrophobicContact CD1-CD2 3.58Å; Y169-F173 AromaticContact CD1-CE1 3.77Å; Y169-F173 HydrophobicContact CD1-CE1 3.77Å; Y169-F173 AromaticContact CD1-CE2 3.7Å; Y169-F173 HydrophobicContact CD1-CE2 3.7Å; Y169-F173 AromaticContact CD1-CG 3.56Å; Y169-F173 HydrophobicContact CD1-CG 3.56Å; Y169-F173 AromaticContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD1-CZ 3.79Å; Y169-F173 HydrophobicContact CD2-CD1 4.14Å; Y169-F173 AromaticContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CE1 3.95Å; Y169-F173 HydrophobicContact CD2-CZ 4.47Å; Y169-F173 HydrophobicContact CE1-CD1 4.34Å; Y169-F173 AromaticContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CD2 3.98Å; Y169-F173 HydrophobicContact CE1-CE1 4Å; Y169-F173 AromaticContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CE2 3.6Å; Y169-F173 HydrophobicContact CE1-CG 4.33Å; Y169-F173 AromaticContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE1-CZ 3.62Å; Y169-F173 HydrophobicContact CE2-CE1 4.16Å; Y169-F173 HydrophobicContact CE2-CZ 4.32Å; Y169-F173 HydrophobicContact CG-CB 4.49Å; Y169-F173 AromaticContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD1 3.53Å; Y169-F173 HydrophobicContact CG-CD2 4.32Å; Y169-F173 AromaticContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE1 3.74Å; Y169-F173 HydrophobicContact CG-CE2 4.49Å; Y169-F173 AromaticContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CG 3.85Å; Y169-F173 HydrophobicContact CG-CZ 4.22Å; Y169-F173 AromaticContact CZ-CZ 3.9Å; N170-F173 WeakPolarHBondContact O-CB 3.42Å; N170-F173 PolarHBondContact O-N 3.42Å; N170-F173 VanDerWaalsContact O-N 3.1Å; N170-F173 PolarHBondContact OD1-N 2.81Å; R171-F173 VanDerWaalsContact C-N 3.28Å; R171-F173 PolarHBondContact O-N 3.34Å; F173-E175 PolarHBondContact O-N 3.37Å; F173-N176 PolarHBondContact O-N 3.39Å; F173-L177 HydrophobicContact CE1-CD1 4.17Å; F173-L177 HydrophobicContact CE1-CD2 4.28Å; F173-L177 HydrophobicContact CZ-CD1 4.05Å; F173-L177 WeakPolarHBondContact O-CB 3.21Å; F173-L177 PolarHBondContact O-N 3.16Å
174	L	97.8	Very high	96.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-39.9	-179.3	-179.8	64	0	0	0	112.7	L165 N170 R171 N176 L198 L200 R216 C255	L165-L174 HydrophobicContact CD1-CD1 3.97Å; N170-L174 PolarHBondContact O-N 2.86Å; R171-L174 PolarHBondContact O-N 3.11Å; R171-L174 VanDerWaalsContact O-N 3.14Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.8Å; L174-L198 HydrophobicContact CD1-CB 3.95Å; L174-L200 HydrophobicContact CB-CD1 3.7Å; L174-L200 HydrophobicContact CD2-CB 4.41Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å; L174-L200 HydrophobicContact CD2-CG 4.5Å; L174-R216 HydrophobicContact CD1-CG 4.16Å; L174-R216 HydrophobicContact CD2-CG 4.43Å; L174-R216 HydrophobicContact CG-CG 4.04Å; L174-R216 WeakPolarHBondContact O-CD 3.33Å; L174-R216 PolarHBondContact O-NH1 3.14Å; L174-C255 HydrophobicContact CD2-CB 4.33Å; L174-C255 HydrophobicContact CG-CB 4.41Å
175	E	97.3	Very high	96.3	Very high	78 Å²	78	62.3 Å²	62.3	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-35.6	175.8	-75.3	174.4	161.9	0	0	112.3	R171 F173 C255	R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 3.07Å; R171-E175 VanDerWaalsContact CZ-OE1 3.29Å; R171-E175 IonicContact NE-OE1 3.66Å; R171-E175 PolarHBondContact NE-OE1 2.51Å; R171-E175 IonicContact NE-OE2 2.72Å; R171-E175 IonicContact NH2-OE1 2.84Å; R171-E175 PolarHBondContact NH2-OE1 2.83Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.22Å; F173-E175 PolarHBondContact O-N 3.37Å; E175-C255 HydrophobicContact CG-CB 3.65Å
176	N	97.9	Very high	96.1	Very high	107 Å²	107	69.2 Å²	69.2	57%	0.572	35%	0.35	S	S	*	.	H	α-helix	trans	-94.7	-12.2	-176.7	-72	-74.2	0	0	0	114.2	S172 F173 L174 K178	S172-N176 WeakPolarHBondContact O-CB 3.38Å; S172-N176 PolarHBondContact O-N 3.32Å; S172-N176 PolarHBondContact O-ND2 3.44Å; F173-N176 PolarHBondContact O-N 3.39Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.8Å; N176-K178 PolarHBondContact O-N 2.9Å
177	L	98.2	Very high	96	Very high	21 Å²	21	71 Å²	71	11%	0.11	36%	0.36	C	S	.	.			trans	-56.9	121.7	179.4	-178	61.9	0	0	0	110.4	I144 L165 F173 V179 L198 R216	I144-L177 HydrophobicContact CB-CD2 4.36Å; I144-L177 HydrophobicContact CG2-CD2 3.83Å; I144-L177 HydrophobicContact CG2-CG 4.49Å; L165-L177 HydrophobicContact CD1-CD2 4.04Å; F173-L177 HydrophobicContact CE1-CD1 4.17Å; F173-L177 HydrophobicContact CE1-CD2 4.28Å; F173-L177 HydrophobicContact CZ-CD1 4.05Å; F173-L177 WeakPolarHBondContact O-CB 3.21Å; F173-L177 PolarHBondContact O-N 3.16Å; L177-V179 HydrophobicContact CD2-CG2 4.47Å; L177-V179 HydrophobicContact CG-CG2 4.32Å; L177-V179 PolarHBondContact O-N 3.39Å; L177-L198 HydrophobicContact CD2-CD1 3.77Å; L177-R216 PolarHBondContact O-NH1 3.12Å
178	K	97.1	Very high	96	Very high	187 Å²	187	68 Å²	68	81%	0.813	34%	0.343	S	S	*	.			trans	-84.7	112.1	175	-62.3	-57.7	-177.4	-174.6	0	108.7	N176	N176-K178 PolarHBondContact O-N 2.9Å
179	V	98	Very high	95.9	Very high	22 Å²	22	68.8 Å²	68.8	13%	0.133	34%	0.344	C	S	.	.			trans	-94.4	124.1	176.8	-179	0	0	0	0	108.6	A143 I144 L177 T181 L198 F218	A143-V179 HydrophobicContact CB-CG1 4.24Å; A143-V179 WeakPolarHBondContact O-CA 3.19Å; I144-V179 HydrophobicContact CG2-CG2 4.25Å; L177-V179 HydrophobicContact CD2-CG2 4.47Å; L177-V179 HydrophobicContact CG-CG2 4.32Å; L177-V179 PolarHBondContact O-N 3.39Å; V179-T181 HydrophobicContact CG1-CG2 4.22Å; V179-T181 PolarHBondContact O-N 3.08Å; V179-L198 HydrophobicContact CG2-CD1 3.63Å; V179-F218 HydrophobicContact CB-CD1 4.19Å; V179-F218 HydrophobicContact CB-CE1 3.68Å; V179-F218 HydrophobicContact CB-CE2 4.22Å; V179-F218 HydrophobicContact CB-CZ 3.69Å; V179-F218 HydrophobicContact CG1-CD1 4.04Å; V179-F218 HydrophobicContact CG1-CD2 4.2Å; V179-F218 HydrophobicContact CG1-CE1 4.03Å; V179-F218 HydrophobicContact CG1-CE2 4.19Å; V179-F218 HydrophobicContact CG1-CG 4.13Å; V179-F218 HydrophobicContact CG1-CZ 4.09Å; V179-F218 HydrophobicContact CG2-CE1 3.88Å; V179-F218 HydrophobicContact CG2-CE2 3.71Å; V179-F218 HydrophobicContact CG2-CZ 3.33Å
180	N	96.5	Very high	95.8	Very high	54 Å²	54	71.2 Å²	71.2	29%	0.289	36%	0.364	S	S	.	.			trans	-79.3	99	174	178.9	-5.1	0	0	0	108.9	T142 A143 E182 N183 L184	T142-N180 WeakPolarHBondContact O-CB 3.25Å; A143-N180 PolarHBondContact O-N 3.1Å; A143-N180 VanDerWaalsContact O-N 3.13Å; N180-E182 PolarHBondContact OD1-N 2.92Å; N180-N183 PolarHBondContact ND2-ND2 3.26Å; N180-N183 PolarHBondContact OD1-N 3.45Å; N180-L184 WeakPolarHBondContact O-CD2 3.38Å; N180-L184 WeakPolarHBondContact O-CG 3.32Å
181	T	94.4	Very high	95.7	Very high	28 Å²	28	69.6 Å²	69.6	17%	0.172	36%	0.364	C	S	.	.			trans	-86.2	-22.6	178.5	54.1	0	0	0	0	113.3	V179 F218 A225	V179-T181 HydrophobicContact CG1-CG2 4.22Å; V179-T181 PolarHBondContact O-N 3.08Å; T181-F218 HydrophobicContact CG2-CB 4.31Å; T181-F218 HydrophobicContact CG2-CD1 3.65Å; T181-F218 HydrophobicContact CG2-CE1 4.44Å; T181-F218 HydrophobicContact CG2-CG 4.3Å; T181-A225 WeakPolarHBondContact CG2-O 3.34Å
182	E	90.9	Very high	95.7	Very high	159 Å²	159	69.7 Å²	69.7	74%	0.743	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-42.6	-174.1	-65.1	178.7	177.8	0	0	111.6	N180	N180-E182 PolarHBondContact OD1-N 2.92Å
183	N	95	Very high	95.8	Very high	64 Å²	64	66.7 Å²	66.7	34%	0.342	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.4	-176.3	-66.8	-15.8	0	0	0	113.8	T142 N180 L185 Q186 V187	T142-N183 HydrophobicContact CG2-CB 3.59Å; N180-N183 PolarHBondContact ND2-ND2 3.26Å; N180-N183 PolarHBondContact OD1-N 3.45Å; N183-L185 VanDerWaalsContact C-N 3.25Å; N183-L185 PolarHBondContact O-N 2.99Å; N183-Q186 PolarHBondContact O-N 3.46Å; N183-Q186 VanDerWaalsContact O-N 3.14Å; N183-V187 PolarHBondContact O-N 2.94Å
184	L	96.4	Very high	95.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-34.9	-177.9	-57.4	-178.3	0	0	0	112.3	L139 T142 A143 N180 Q186 V187 E188 L196 P220 W221	L139-L184 HydrophobicContact CD1-CB 4.15Å; L139-L184 HydrophobicContact CD1-CD2 3.67Å; L139-L184 HydrophobicContact CD1-CG 4.39Å; T142-L184 HydrophobicContact CG2-CD2 4.03Å; A143-L184 HydrophobicContact CB-CD2 3.69Å; N180-L184 WeakPolarHBondContact O-CD2 3.38Å; N180-L184 WeakPolarHBondContact O-CG 3.32Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.86Å; L184-V187 PolarHBondContact O-N 3.21Å; L184-E188 PolarHBondContact O-N 3.03Å; L184-L196 HydrophobicContact CD1-CD2 4.32Å; L184-P220 HydrophobicContact CB-CG 4.1Å; L184-P220 HydrophobicContact CD1-CG 4.05Å; L184-W221 HydrophobicContact CB-CH2 4.25Å; L184-W221 HydrophobicContact CB-CZ2 3.98Å; L184-W221 HydrophobicContact CD1-CH2 4.3Å
185	L	94.3	Very high	95.6	Very high	82 Å²	82	68.1 Å²	68.1	43%	0.429	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-30.6	178.9	-64.4	177.9	0	0	0	113	N183 P220 W221	N183-L185 VanDerWaalsContact C-N 3.25Å; N183-L185 PolarHBondContact O-N 2.99Å; L185-P220 HydrophobicContact CD2-CB 4.15Å; L185-P220 HydrophobicContact CD2-CG 4.47Å; L185-P220 HydrophobicContact CG-CB 4.25Å; L185-W221 HydrophobicContact CD2-CB 4.28Å; L185-W221 HydrophobicContact CD2-CG 3.88Å
186	Q	94.7	Very high	95.7	Very high	144 Å²	144	64.5 Å²	64.5	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-78.8	-39.4	-179.9	-63.4	178.4	8.4	0	0	111	N183 L184 N189	N183-Q186 PolarHBondContact O-N 3.46Å; N183-Q186 VanDerWaalsContact O-N 3.14Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.86Å; Q186-N189 PolarHBondContact O-ND2 3.11Å
187	V	96	Very high	95.7	Very high	55 Å²	55	59.4 Å²	59.4	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-76.2	-44.3	-177.1	175.9	0	0	0	0	111.5	D138 L139 T142 N183 L184	D138-V187 HydrophobicContact CB-CG1 3.73Å; L139-V187 HydrophobicContact CB-CG1 4.22Å; T142-V187 HydrophobicContact CG2-CG2 4.08Å; N183-V187 PolarHBondContact O-N 2.94Å; L184-V187 PolarHBondContact O-N 3.21Å
188	E	96.1	Very high	95.8	Very high	17 Å²	17	58.4 Å²	58.4	8%	0.079	30%	0.302	C	S	.	.			trans	-109.7	93	175.8	172.7	53.8	-109.2	0	0	109.8	L139 L184 T190 G191 K192 V193 W221	L139-E188 HydrophobicContact CD1-CB 3.93Å; L139-E188 HydrophobicContact CD2-CB 4.14Å; L139-E188 HydrophobicContact CD2-CG 4.35Å; L184-E188 PolarHBondContact O-N 3.03Å; E188-T190 WeakPolarHBondContact OE1-CA 3.46Å; E188-T190 WeakPolarHBondContact OE1-CB 3.08Å; E188-T190 PolarHBondContact OE1-N 3.29Å; E188-T190 PolarHBondContact OE1-OG1 3.17Å; E188-G191 PolarHBondContact OE1-N 2.91Å; E188-K192 PolarHBondContact OE1-N 2.75Å; E188-V193 HydrophobicContact CG-CB 3.99Å; E188-W221 HydrophobicContact CB-CZ2 3.84Å; E188-W221 HydrophobicContact CG-CZ2 3.86Å; E188-W221 PolarHBondContact O-NE1 2.97Å
189	N	93.6	Very high	95.9	Very high	125 Å²	125	49.5 Å²	49.5	67%	0.668	26%	0.263	S	S	*	.			trans	-117.4	6.4	179.1	60.7	28.6	0	0	0	112.6	Q186 G191	Q186-N189 PolarHBondContact O-ND2 3.11Å; N189-G191 VanDerWaalsContact C-N 3.27Å
190	T	94.3	Very high	95.9	Very high	101 Å²	101	48.5 Å²	48.5	62%	0.62	26%	0.257	S	S	*	.	S	Bend	trans	-77.9	-20.6	179.9	77.1	0	0	0	0	111.6	E188 K192	E188-T190 WeakPolarHBondContact OE1-CA 3.46Å; E188-T190 WeakPolarHBondContact OE1-CB 3.08Å; E188-T190 PolarHBondContact OE1-N 3.29Å; E188-T190 PolarHBondContact OE1-OG1 3.17Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 VanDerWaalsContact OG1-CB 3.24Å; T190-K192 WeakPolarHBondContact OG1-CB 3.16Å; T190-K192 PolarHBondContact OG1-N 2.82Å; T190-K192 VanDerWaalsContact OG1-N 3.1Å
191	G	92.2	Very high	95.9	Very high	36 Å²	36	50.5 Å²	50.5	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	80.8	7.2	-173.9	0	0	0	0	0	113.1	Q159 E188 N189	Q159-G191 PolarHBondContact NE2-O 2.8Å; E188-G191 PolarHBondContact OE1-N 2.91Å; N189-G191 VanDerWaalsContact C-N 3.27Å
192	K	95.6	Very high	95.9	Very high	60 Å²	60	49.9 Å²	49.9	26%	0.261	26%	0.262	S	S	.	.	S	Bend	trans	-62.2	-57.2	174.2	-179.4	179.3	177.4	-175.6	0	110	E135 Y154 Q159 E188 T190	E135-K192 IonicContact OE2-NZ 3.03Å; E135-K192 PolarHBondContact OE2-NZ 3.08Å; Y154-K192 HydrophobicContact CE2-CG 4.39Å; Y154-K192 PolarHBondContact OH-O 2.66Å; Q159-K192 WeakPolarHBondContact CB-O 3.35Å; Q159-K192 PolarHBondContact NE2-O 3.5Å; E188-K192 PolarHBondContact OE1-N 2.75Å; T190-K192 VanDerWaalsContact C-N 3.28Å; T190-K192 VanDerWaalsContact OG1-CB 3.24Å; T190-K192 WeakPolarHBondContact OG1-CB 3.16Å; T190-K192 PolarHBondContact OG1-N 2.82Å; T190-K192 VanDerWaalsContact OG1-N 3.1Å
193	V	97.3	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.			trans	-98.6	131.4	-179.8	-177.7	0	0	0	0	110.4	L139 Y154 Q159 L161 E188 G195 W221	L139-V193 HydrophobicContact CD2-CB 4.25Å; L139-V193 HydrophobicContact CD2-CG1 4.29Å; L139-V193 HydrophobicContact CD2-CG2 4.17Å; Y154-V193 HydrophobicContact CD2-CG2 4.44Å; Y154-V193 HydrophobicContact CE2-CG2 4.22Å; Q159-V193 WeakPolarHBondContact O-CA 3.41Å; L161-V193 HydrophobicContact CB-CG1 3.72Å; L161-V193 HydrophobicContact CB-CG2 4.01Å; E188-V193 HydrophobicContact CG-CB 3.99Å; V193-G195 VanDerWaalsContact CG1-O 3.31Å; V193-G195 WeakPolarHBondContact CG1-O 3.39Å; V193-W221 HydrophobicContact CG1-CH2 3.98Å; V193-W221 HydrophobicContact CG1-CZ2 4.43Å; V193-W221 HydrophobicContact CG1-CZ3 4.21Å
194	K	95.4	Very high	94.6	Very high	91 Å²	91	49.4 Å²	49.4	40%	0.396	27%	0.269	S	S	.	.	S	Bend	trans	-120.4	-1.6	173.7	-66.5	-173	178.5	159.4	0	113.6	Q159	Q159-K194 HydrophobicContact CB-CB 4.09Å; Q159-K194 HydrophobicContact CB-CD 4.46Å; Q159-K194 HydrophobicContact CB-CG 4.17Å; Q159-K194 PolarHBondContact O-N 3.19Å; Q159-K194 VanDerWaalsContact OE1-CE 3.23Å
195	G	97.2	Very high	93	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	138.7	176.3	0	0	0	0	0	111.6	Q159 K160 L161 V193 F218	Q159-G195 PolarHBondContact O-N 3.06Å; K160-G195 CarbonylContact C-O 3.6Å; K160-G195 WeakPolarHBondContact CA-O 3.05Å; L161-G195 PolarHBondContact N-O 2.7Å; V193-G195 VanDerWaalsContact CG1-O 3.31Å; V193-G195 WeakPolarHBondContact CG1-O 3.39Å; G195-F218 CarbonylContact C-O 2.99Å; G195-F218 WeakPolarHBondContact CA-O 3.4Å
196	L	98.7	Very high	91.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.3	176.1	177	64.9	0	0	0	108.8	A143 L161 V163 L184 L198 Y217 F218 W221	A143-L196 HydrophobicContact CB-CD2 3.6Å; L161-L196 HydrophobicContact CB-CD1 4.47Å; L161-L196 HydrophobicContact CD2-CD1 4.19Å; L161-L196 HydrophobicContact CG-CD1 4.47Å; V163-L196 HydrophobicContact CG2-CD1 3.72Å; L184-L196 HydrophobicContact CD1-CD2 4.32Å; L196-L198 HydrophobicContact CD1-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CD2 4.22Å; L196-L198 HydrophobicContact CG-CD2 4.08Å; L196-Y217 WeakPolarHBondContact O-CA 3.33Å; L196-F218 HydrophobicContact CB-CB 4.4Å; L196-F218 PolarHBondContact N-O 3Å; L196-F218 PolarHBondContact O-N 3.13Å; L196-W221 HydrophobicContact CB-CH2 4.49Å; L196-W221 HydrophobicContact CB-CZ3 4.41Å
197	I	98.9	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.7	171	-57.7	165.3	0	0	0	107.5	K160 L161 L162 V163 R216 Y217 A233 V236 L237	K160-I197 HydrophobicContact CB-CD1 3.98Å; K160-I197 HydrophobicContact CB-CG1 4.47Å; K160-I197 HydrophobicContact CD-CD1 3.82Å; K160-I197 HydrophobicContact CD-CG1 4.28Å; L161-I197 PolarHBondContact O-N 2.68Å; L162-I197 HydrophobicContact CB-CB 4.38Å; L162-I197 HydrophobicContact CB-CD1 4.48Å; L162-I197 HydrophobicContact CG-CB 4.47Å; L162-I197 HydrophobicContact CG-CG2 4.36Å; V163-I197 PolarHBondContact N-O 2.99Å; I197-R216 WeakPolarHBondContact CA-O 3.26Å; I197-Y217 HydrophobicContact CG1-CD2 3.6Å; I197-Y217 HydrophobicContact CG1-CE2 3.98Å; I197-A233 HydrophobicContact CD1-CB 3.98Å; I197-A233 HydrophobicContact CG1-CB 4.02Å; I197-V236 HydrophobicContact CD1-CB 4.15Å; I197-V236 HydrophobicContact CD1-CG1 4.24Å; I197-L237 HydrophobicContact CG2-CD1 3.81Å; I197-L237 HydrophobicContact CG2-CD2 3.76Å; I197-L237 HydrophobicContact CG2-CG 3.91Å
198	L	98.9	Very high	87.6	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.6	164.2	-57.1	-174.2	0	0	0	108.2	I144 V163 L174 L177 V179 L196 S215 R216 F218	I144-L198 HydrophobicContact CG2-CD1 3.65Å; I144-L198 HydrophobicContact CG2-CD2 4.14Å; V163-L198 HydrophobicContact CB-CD2 3.91Å; V163-L198 HydrophobicContact CG1-CD2 4.39Å; V163-L198 HydrophobicContact CG2-CD2 4.47Å; V163-L198 WeakPolarHBondContact O-CA 3.37Å; L174-L198 HydrophobicContact CD1-CB 3.95Å; L177-L198 HydrophobicContact CD2-CD1 3.77Å; V179-L198 HydrophobicContact CG2-CD1 3.63Å; L196-L198 HydrophobicContact CD1-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CD2 4.22Å; L196-L198 HydrophobicContact CG-CD2 4.08Å; L198-S215 CarbonylContact O-C 3.56Å; L198-S215 WeakPolarHBondContact O-CA 3.43Å; L198-R216 PolarHBondContact N-O 2.92Å; L198-R216 PolarHBondContact O-N 2.96Å; L198-F218 HydrophobicContact CD1-CE2 3.78Å; L198-F218 HydrophobicContact CD1-CZ 4.49Å; L198-F218 HydrophobicContact CG-CD2 4.43Å; L198-F218 HydrophobicContact CG-CE2 3.96Å
199	T	98.9	Very high	86.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.6	-178.8	-168	0	0	0	0	113.1	L162 V163 R164 L165 Y214 L237 W241	L162-T199 HydrophobicContact CD2-CG2 3.83Å; L162-T199 HydrophobicContact CG-CG2 4.18Å; V163-T199 PolarHBondContact O-N 2.7Å; R164-T199 WeakPolarHBondContact CA-O 3.23Å; R164-T199 HydrophobicContact CB-CG2 3.99Å; R164-T199 HydrophobicContact CG-CG2 4.33Å; L165-T199 PolarHBondContact N-O 2.85Å; T199-Y214 VanDerWaalsContact CA-O 3.22Å; T199-Y214 WeakPolarHBondContact CA-O 3.21Å; T199-Y214 WeakPolarHBondContact CB-O 3.34Å; T199-Y214 PolarHBondContact OG1-O 2.82Å; T199-L237 HydrophobicContact CG2-CD2 3.86Å; T199-L237 WeakPolarHBondContact OG1-CD2 3.43Å; T199-W241 HydrophobicContact CG2-CZ2 3.86Å; T199-W241 WeakPolarHBondContact OG1-CZ2 3.15Å; T199-W241 PolarHBondContact OG1-NE1 2.9Å
200	L	97.8	Very high	85.9	Confident	1 Å²	1	58 Å²	58	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.1	176.1	-85.1	177.2	0	0	0	110.3	L165 S166 N170 L174 F213 Y214	L165-L200 HydrophobicContact CB-CD2 3.57Å; L165-L200 HydrophobicContact CB-CG 4.06Å; L165-L200 HydrophobicContact CD1-CG 4.35Å; S166-L200 WeakPolarHBondContact O-CD2 3.35Å; N170-L200 VanDerWaalsContact O-CD1 3.25Å; N170-L200 WeakPolarHBondContact O-CD1 3.47Å; L174-L200 HydrophobicContact CB-CD1 3.7Å; L174-L200 HydrophobicContact CD2-CB 4.41Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å; L174-L200 HydrophobicContact CD2-CG 4.5Å; L200-F213 CarbonylContact O-C 3.57Å; L200-F213 WeakPolarHBondContact O-CA 3.42Å; L200-F213 WeakPolarHBondContact O-CB 3.33Å; L200-Y214 PolarHBondContact N-O 3.36Å; L200-Y214 PolarHBondContact O-N 3.23Å
201	K	96.9	Very high	85.9	Confident	95 Å²	95	54.1 Å²	54.1	41%	0.413	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.1	170.4	-168.7	174.8	178.6	179.1	0	109.4	W241 L245	K201-W241 VanDerWaalsContact CA-CH2 3.45Å; K201-W241 HydrophobicContact CB-CH2 3.68Å; K201-W241 HydrophobicContact CB-CZ3 3.93Å; K201-W241 HydrophobicContact CG-CH2 4.32Å; K201-W241 HydrophobicContact CG-CZ3 4.06Å; K201-W241 VanDerWaalsContact N-CH2 3.34Å; K201-L245 HydrophobicContact CD-CD2 4.49Å; K201-L245 HydrophobicContact CG-CD2 4.41Å
202	G	94.6	Very high	86.1	Confident	16 Å²	16	53.8 Å²	53.8	17%	0.165	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64.4	152.7	174.8	0	0	0	0	0	112.7	F211 D212	G202-F211 WeakPolarHBondContact CA-O 3.44Å; G202-D212 WeakPolarHBondContact CA-O 3.42Å; G202-D212 PolarHBondContact N-O 2.98Å
203	E	86	Confident	86.3	Confident	83 Å²	83	51 Å²	51	39%	0.388	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-93.5	141.6	174.6	-66.4	172.3	97.4	0	0	109	N170 R171 G205	N170-E203 WeakPolarHBondContact CB-OE1 3.49Å; R171-E203 PolarHBondContact N-OE2 2.82Å; E203-G205 PolarHBondContact O-N 3.43Å; E203-G205 VanDerWaalsContact O-N 3.17Å
204	P	73.8	Confident	86.3	Confident	130 Å²	130	51.7 Å²	51.7	84%	0.844	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56.4	125.7	173.9	22.8	-30.9	0	0	0	109.2	G206	P204-G206 PolarHBondContact O-N 3.39Å
205	G	62.5	Low	86.5	Confident	39 Å²	39	47.4 Å²	47.4	40%	0.402	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.2	127.1	-177.1	0	0	0	0	0	110.6	E203	E203-G205 PolarHBondContact O-N 3.43Å; E203-G205 VanDerWaalsContact O-N 3.17Å
206	G	60.5	Low	86.5	Confident	67 Å²	67	48.3 Å²	48.3	69%	0.691	28%	0.283	S	S	*	.	S	Bend	trans	-73.6	-120.8	161.3	0	0	0	0	0	109.7	P204 T208	P204-G206 PolarHBondContact O-N 3.39Å; G206-T208 PolarHBondContact O-N 2.79Å
207	Q	52.2	Low	86.5	Confident	211 Å²	211	49.3 Å²	49.3	99%	0.986	29%	0.287	S	S	*	.	S	Bend	trans	-77	-6.5	175.4	-67.2	-175.5	-17.3	0	0	114
208	T	57.8	Low	86.5	Confident	110 Å²	110	49.5 Å²	49.5	68%	0.675	29%	0.288	S	S	*	.	S	Bend	trans	-102.4	153.6	-179.9	55.4	0	0	0	0	111.2	G206 A210	G206-T208 PolarHBondContact O-N 2.79Å; T208-A210 PolarHBondContact O-N 3.21Å; T208-A210 VanDerWaalsContact O-N 3.15Å
209	Q	68.1	Low	86.3	Confident	130 Å²	130	49.5 Å²	49.5	61%	0.607	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-55.6	121.6	173.2	-172.7	171.3	0.7	0	0	109.9	H251	Q209-H251 PolarHBondContact NE2-CE1 2.83Å; Q209-H251 VanDerWaalsContact NE2-CE1 3.31Å; Q209-H251 PolarHBondContact NE2-ND1 2.75Å
210	A	85.8	Confident	86.1	Confident	46 Å²	46	50.3 Å²	50.3	38%	0.38	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-68.5	138.2	178.3	0	0	0	0	0	109.8	T208	T208-A210 PolarHBondContact O-N 3.21Å; T208-A210 VanDerWaalsContact O-N 3.15Å
211	F	95.3	Very high	85.8	Confident	19 Å²	19	52.7 Å²	52.7	8%	0.083	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-96.7	142.3	163.2	-62.6	-78.7	0	0	0	108	G202 Y214 H251 F253 E261	G202-F211 WeakPolarHBondContact CA-O 3.44Å; F211-Y214 HydrophobicContact CB-CD1 4.41Å; F211-Y214 HydrophobicContact CB-CE1 3.75Å; F211-Y214 AromaticContact CD2-CE1 3.68Å; F211-Y214 HydrophobicContact CD2-CE1 3.68Å; F211-Y214 AromaticContact CG-CE1 3.96Å; F211-Y214 HydrophobicContact CG-CE1 3.96Å; F211-H251 CarbonylContact C-O 3.41Å; F211-H251 WeakPolarHBondContact CA-O 3.39Å; F211-H251 HydrophobicContact CD1-CB 4.46Å; F211-H251 AromaticContact CD1-CE1 3.8Å; F211-H251 AromaticContact CD1-CG 3.82Å; F211-H251 AromaticContact CD1-ND1 3.52Å; F211-H251 AromaticContact CE1-CE1 3.27Å; F211-H251 WeakPolarHBondContact CE1-CE1 3.41Å; F211-H251 AromaticContact CE1-ND1 3.49Å; F211-H251 WeakPolarHBondContact CE1-ND1 3.43Å; F211-H251 AromaticContact CE1-NE2 3.73Å; F211-F253 HydrophobicContact CD1-CB 3.71Å; F211-F253 HydrophobicContact CD2-CB 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.77Å; F211-F253 AromaticContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CG 4.33Å; F211-F253 HydrophobicContact CE2-CB 4.15Å; F211-F253 AromaticContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CG 4.35Å; F211-F253 HydrophobicContact CG-CB 3.86Å; F211-F253 HydrophobicContact CZ-CB 4.01Å; F211-F253 AromaticContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CE2 4.43Å; F211-F253 HydrophobicContact CZ-CG 4.17Å; F211-E261 HydrophobicContact CE1-CB 4.35Å; F211-E261 HydrophobicContact CE1-CG 4.33Å; F211-E261 HydrophobicContact CZ-CG 4.36Å
212	D	96.8	Very high	85.3	Confident	30 Å²	30	52.7 Å²	52.7	16%	0.16	31%	0.31	C	S	.	.	S	Bend	trans	-74.2	-31.2	174.6	-72.2	-71.9	0	0	0	111.9	G202 L245 K247 M250 H251	G202-D212 WeakPolarHBondContact CA-O 3.42Å; G202-D212 PolarHBondContact N-O 2.98Å; D212-L245 HydrophobicContact CB-CD1 3.81Å; D212-K247 IonicContact OD1-NZ 2.66Å; D212-K247 PolarHBondContact OD1-NZ 3.05Å; D212-M250 HydrophobicContact CB-CB 4.15Å; D212-M250 HydrophobicContact CB-CG 4.34Å; D212-M250 VanDerWaalsContact OD2-CA 3.24Å; D212-M250 WeakPolarHBondContact OD2-CA 3.16Å; D212-H251 PolarHBondContact N-O 3.28Å; D212-H251 PolarHBondContact OD2-N 2.87Å
213	F	98.1	Very high	84.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	160.9	173.7	66.2	-93.1	0	0	0	112.9	L200 H234 L237 W241 M250 A252 F253 I264	L200-F213 CarbonylContact O-C 3.57Å; L200-F213 WeakPolarHBondContact O-CA 3.42Å; L200-F213 WeakPolarHBondContact O-CB 3.33Å; F213-H234 AromaticContact CE2-CD2 3.9Å; F213-L237 HydrophobicContact CD2-CD2 4.49Å; F213-L237 HydrophobicContact CE2-CB 3.8Å; F213-L237 HydrophobicContact CE2-CD1 4.04Å; F213-L237 HydrophobicContact CE2-CD2 4.26Å; F213-L237 HydrophobicContact CE2-CG 4.27Å; F213-L237 HydrophobicContact CZ-CB 3.9Å; F213-W241 HydrophobicContact CB-CD2 3.83Å; F213-W241 HydrophobicContact CB-CG 3.99Å; F213-W241 HydrophobicContact CB-CZ2 4.03Å; F213-W241 HydrophobicContact CD1-CB 3.78Å; F213-W241 AromaticContact CD1-CD1 3.44Å; F213-W241 VanDerWaalsContact CD1-CD1 3.44Å; F213-W241 HydrophobicContact CD1-CD2 4.28Å; F213-W241 AromaticContact CD1-CG 3.56Å; F213-W241 HydrophobicContact CD1-CG 3.56Å; F213-W241 AromaticContact CD2-CD1 3.52Å; F213-W241 HydrophobicContact CD2-CG 4.38Å; F213-W241 AromaticContact CD2-NE1 3.54Å; F213-W241 HydrophobicContact CE1-CB 3.97Å; F213-W241 AromaticContact CE1-CD1 3.75Å; F213-W241 HydrophobicContact CE1-CG 4.04Å; F213-W241 AromaticContact CE2-CD1 3.83Å; F213-W241 HydrophobicContact CG-CB 4.45Å; F213-W241 AromaticContact CG-CD1 3.3Å; F213-W241 HydrophobicContact CG-CD2 4.13Å; F213-W241 AromaticContact CG-CE2 3.98Å; F213-W241 AromaticContact CG-CG 3.74Å; F213-W241 HydrophobicContact CG-CG 3.74Å; F213-W241 AromaticContact CG-NE1 3.45Å; F213-W241 AromaticContact CZ-CD1 3.91Å; F213-M250 HydrophobicContact CE1-CB 4.41Å; F213-M250 HydrophobicContact CE1-SD 4.27Å; F213-A252 HydrophobicContact CD1-CB 4.3Å; F213-A252 HydrophobicContact CD2-CB 3.95Å; F213-A252 HydrophobicContact CE1-CB 3.83Å; F213-A252 HydrophobicContact CE2-CB 3.4Å; F213-A252 VanDerWaalsContact CE2-CB 3.4Å; F213-A252 HydrophobicContact CG-CB 4.37Å; F213-A252 HydrophobicContact CZ-CB 3.37Å; F213-A252 WeakPolarHBondContact O-CA 3.31Å; F213-F253 PolarHBondContact O-N 3.42Å; F213-I264 HydrophobicContact CE1-CD1 3.7Å; F213-I264 HydrophobicContact CZ-CD1 3.42Å; F213-I264 VanDerWaalsContact CZ-CD1 3.42Å
214	Y	98.2	Very high	85	Confident	15 Å²	15	53.5 Å²	53.5	6%	0.059	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.9	175.3	-57.3	-69.6	0	0	0	110.4	R171 T199 L200 F211 F253	R171-Y214 HydrophobicContact CB-CD1 4.43Å; R171-Y214 HydrophobicContact CB-CD2 4.09Å; R171-Y214 HydrophobicContact CB-CE1 4.23Å; R171-Y214 HydrophobicContact CB-CE2 3.81Å; R171-Y214 HydrophobicContact CB-CG 4.39Å; R171-Y214 HydrophobicContact CG-CD1 4.06Å; R171-Y214 HydrophobicContact CG-CE1 3.96Å; R171-Y214 HydrophobicContact CG-CE2 4.42Å; R171-Y214 HydrophobicContact CG-CG 4.39Å; T199-Y214 VanDerWaalsContact CA-O 3.22Å; T199-Y214 WeakPolarHBondContact CA-O 3.21Å; T199-Y214 WeakPolarHBondContact CB-O 3.34Å; T199-Y214 PolarHBondContact OG1-O 2.82Å; L200-Y214 PolarHBondContact N-O 3.36Å; L200-Y214 PolarHBondContact O-N 3.23Å; F211-Y214 HydrophobicContact CB-CD1 4.41Å; F211-Y214 HydrophobicContact CB-CE1 3.75Å; F211-Y214 AromaticContact CD2-CE1 3.68Å; F211-Y214 HydrophobicContact CD2-CE1 3.68Å; F211-Y214 AromaticContact CG-CE1 3.96Å; F211-Y214 HydrophobicContact CG-CE1 3.96Å; Y214-F253 CarbonylContact C-O 3.59Å; Y214-F253 VanDerWaalsContact CA-O 3.3Å; Y214-F253 WeakPolarHBondContact CA-O 3.43Å; Y214-F253 HydrophobicContact CD1-CB 3.93Å; Y214-F253 HydrophobicContact CE1-CB 4.19Å
215	S	98.8	Very high	85.9	Confident	1 Å²	1	50 Å²	50	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.1	177.8	67.6	0	0	0	0	113.4	L198 H234 F253 Q254 C255	L198-S215 CarbonylContact O-C 3.56Å; L198-S215 WeakPolarHBondContact O-CA 3.43Å; S215-H234 PolarHBondContact OG-CE1 3.29Å; S215-H234 PolarHBondContact OG-NE2 2.84Å; S215-F253 PolarHBondContact N-O 2.88Å; S215-Q254 CarbonylContact O-C 3.57Å; S215-Q254 VanDerWaalsContact O-CA 3.29Å; S215-Q254 WeakPolarHBondContact O-CA 3.33Å; S215-C255 PolarHBondContact O-N 2.77Å
216	R	98.8	Very high	87.5	Confident	19 Å²	19	50.9 Å²	50.9	7%	0.072	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.6	160.3	-70.2	179.2	66.1	-167	-1.7	108.1	L174 L177 I197 L198 F218 E226 C255	L174-R216 HydrophobicContact CD1-CG 4.16Å; L174-R216 HydrophobicContact CD2-CG 4.43Å; L174-R216 HydrophobicContact CG-CG 4.04Å; L174-R216 WeakPolarHBondContact O-CD 3.33Å; L174-R216 PolarHBondContact O-NH1 3.14Å; L177-R216 PolarHBondContact O-NH1 3.12Å; I197-R216 WeakPolarHBondContact CA-O 3.26Å; L198-R216 PolarHBondContact N-O 2.92Å; L198-R216 PolarHBondContact O-N 2.96Å; R216-F218 HydrophobicContact CB-CE2 3.66Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; R216-E226 IonicContact CZ-OE1 3.61Å; R216-E226 IonicContact CZ-OE2 2.65Å; R216-E226 IonicContact NE-OE1 2.81Å; R216-E226 PolarHBondContact NE-OE1 3.38Å; R216-E226 IonicContact NE-OE2 3.58Å; R216-E226 VanDerWaalsContact NH2-CD 3.33Å; R216-E226 IonicContact NH2-OE1 3.75Å; R216-E226 PolarHBondContact NH2-OE1 3.07Å; R216-E226 IonicContact NH2-OE2 3.55Å; R216-E226 PolarHBondContact NH2-OE2 2.94Å; R216-C255 HydrophobicContact CG-CB 3.92Å
217	Y	98.6	Very high	89.1	Confident	23 Å²	23	48.4 Å²	48.4	9%	0.09	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.1	-176.7	-176.5	-109.5	0	0	0	111.7	K160 L196 I197 A219 E226 D227 T230 A233	K160-Y217 HydrophobicContact CD-CE2 3.64Å; K160-Y217 VanDerWaalsContact CE-OH 3.24Å; K160-Y217 WeakPolarHBondContact CE-OH 3.22Å; K160-Y217 HydrophobicContact CG-CE2 4.13Å; L196-Y217 WeakPolarHBondContact O-CA 3.33Å; I197-Y217 HydrophobicContact CG1-CD2 3.6Å; I197-Y217 HydrophobicContact CG1-CE2 3.98Å; Y217-A219 HydrophobicContact CD1-CB 4.46Å; Y217-A219 HydrophobicContact CE1-CB 3.65Å; Y217-E226 WeakPolarHBondContact O-CA 3.49Å; Y217-D227 HydrophobicContact CD1-CB 3.74Å; Y217-D227 HydrophobicContact CE1-CB 4.47Å; Y217-D227 PolarHBondContact O-N 3.2Å; Y217-T230 HydrophobicContact CD1-CG2 3.7Å; Y217-T230 WeakPolarHBondContact CD1-OG1 3.47Å; Y217-T230 HydrophobicContact CE1-CG2 3.69Å; Y217-T230 HydrophobicContact CG-CG2 4.33Å; Y217-A233 HydrophobicContact CD2-CB 3.87Å; Y217-A233 HydrophobicContact CE2-CB 4.26Å; Y217-A233 HydrophobicContact CG-CB 4.12Å
218	F	98	Very high	91.3	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.5	-178.6	-50.9	-91.7	0	0	0	108.7	V179 T181 G195 L196 L198 R216 A225 E226	V179-F218 HydrophobicContact CB-CD1 4.19Å; V179-F218 HydrophobicContact CB-CE1 3.68Å; V179-F218 HydrophobicContact CB-CE2 4.22Å; V179-F218 HydrophobicContact CB-CZ 3.69Å; V179-F218 HydrophobicContact CG1-CD1 4.04Å; V179-F218 HydrophobicContact CG1-CD2 4.2Å; V179-F218 HydrophobicContact CG1-CE1 4.03Å; V179-F218 HydrophobicContact CG1-CE2 4.19Å; V179-F218 HydrophobicContact CG1-CG 4.13Å; V179-F218 HydrophobicContact CG1-CZ 4.09Å; V179-F218 HydrophobicContact CG2-CE1 3.88Å; V179-F218 HydrophobicContact CG2-CE2 3.71Å; V179-F218 HydrophobicContact CG2-CZ 3.33Å; T181-F218 HydrophobicContact CG2-CB 4.31Å; T181-F218 HydrophobicContact CG2-CD1 3.65Å; T181-F218 HydrophobicContact CG2-CE1 4.44Å; T181-F218 HydrophobicContact CG2-CG 4.3Å; G195-F218 CarbonylContact C-O 2.99Å; G195-F218 WeakPolarHBondContact CA-O 3.4Å; L196-F218 HydrophobicContact CB-CB 4.4Å; L196-F218 PolarHBondContact N-O 3Å; L196-F218 PolarHBondContact O-N 3.13Å; L198-F218 HydrophobicContact CD1-CE2 3.78Å; L198-F218 HydrophobicContact CD1-CZ 4.49Å; L198-F218 HydrophobicContact CG-CD2 4.43Å; L198-F218 HydrophobicContact CG-CE2 3.96Å; R216-F218 HydrophobicContact CB-CE2 3.66Å; R216-F218 HydrophobicContact CB-CZ 3.89Å; F218-A225 WeakPolarHBondContact CA-O 3.45Å; F218-A225 WeakPolarHBondContact CB-O 3.29Å; F218-A225 VanDerWaalsContact CD1-O 3.27Å; F218-A225 WeakPolarHBondContact CD1-O 3.18Å; F218-E226 HydrophobicContact CD1-CB 3.83Å; F218-E226 HydrophobicContact CD1-CG 4.07Å; F218-E226 HydrophobicContact CE1-CB 3.88Å; F218-E226 HydrophobicContact CE1-CG 3.81Å; F218-E226 HydrophobicContact CZ-CG 4.42Å
219	A	94.3	Very high	93.2	Very high	2 Å²	2	34 Å²	34	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	56.1	-178	0	0	0	0	0	111.9	Y217 W221 V222 V224	Y217-A219 HydrophobicContact CD1-CB 4.46Å; Y217-A219 HydrophobicContact CE1-CB 3.65Å; A219-W221 PolarHBondContact O-N 3.18Å; A219-W221 VanDerWaalsContact O-N 3.13Å; A219-V222 HydrophobicContact CB-CG2 3.67Å; A219-V222 WeakPolarHBondContact O-CG2 3.3Å; A219-V222 PolarHBondContact O-N 3.49Å; A219-V224 CarbonylContact C-O 3.32Å; A219-V224 WeakPolarHBondContact CA-O 3.37Å; A219-V224 HydrophobicContact CB-CB 4.42Å; A219-V224 PolarHBondContact N-O 2.83Å; A219-V224 PolarHBondContact O-N 2.91Å; A219-V224 VanDerWaalsContact O-O 3.09Å
220	P	94.6	Very high	94.5	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.104	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.8	-176.9	25.5	-35.8	0	0	0	112.6	L184 L185 V222 G223 V224	L184-P220 HydrophobicContact CB-CG 4.1Å; L184-P220 HydrophobicContact CD1-CG 4.05Å; L185-P220 HydrophobicContact CD2-CB 4.15Å; L185-P220 HydrophobicContact CD2-CG 4.47Å; L185-P220 HydrophobicContact CG-CB 4.25Å; P220-V222 PolarHBondContact O-N 2.94Å; P220-V222 VanDerWaalsContact O-N 3.09Å; P220-G223 PolarHBondContact O-N 3.32Å; P220-V224 VanDerWaalsContact N-O 3.1Å
221	W	92.9	Very high	94.9	Very high	51 Å²	51	26.2 Å²	26.2	19%	0.193	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-60.7	-16.4	175.4	-56.3	-86.5	0	0	0	114.1	L139 L184 L185 E188 V193 L196 A219	L139-W221 HydrophobicContact CD1-CH2 4.2Å; L139-W221 HydrophobicContact CD1-CZ2 3.94Å; L139-W221 HydrophobicContact CD2-CH2 4.5Å; L139-W221 HydrophobicContact CD2-CZ2 4.45Å; L184-W221 HydrophobicContact CB-CH2 4.25Å; L184-W221 HydrophobicContact CB-CZ2 3.98Å; L184-W221 HydrophobicContact CD1-CH2 4.3Å; L185-W221 HydrophobicContact CD2-CB 4.28Å; L185-W221 HydrophobicContact CD2-CG 3.88Å; E188-W221 HydrophobicContact CB-CZ2 3.84Å; E188-W221 HydrophobicContact CG-CZ2 3.86Å; E188-W221 PolarHBondContact O-NE1 2.97Å; V193-W221 HydrophobicContact CG1-CH2 3.98Å; V193-W221 HydrophobicContact CG1-CZ2 4.43Å; V193-W221 HydrophobicContact CG1-CZ3 4.21Å; L196-W221 HydrophobicContact CB-CH2 4.49Å; L196-W221 HydrophobicContact CB-CZ3 4.41Å; A219-W221 PolarHBondContact O-N 3.18Å; A219-W221 VanDerWaalsContact O-N 3.13Å
222	V	85.9	Confident	94.8	Very high	95 Å²	95	27 Å²	27	58%	0.576	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-118.4	20.8	173.5	-59.2	0	0	0	0	112	A219 P220 V224	A219-V222 HydrophobicContact CB-CG2 3.67Å; A219-V222 WeakPolarHBondContact O-CG2 3.3Å; A219-V222 PolarHBondContact O-N 3.49Å; P220-V222 PolarHBondContact O-N 2.94Å; P220-V222 VanDerWaalsContact O-N 3.09Å; V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 HydrophobicContact CG2-CG2 4.42Å; V222-V224 PolarHBondContact O-N 3.22Å
223	G	84.8	Confident	94.8	Very high	72 Å²	72	25.6 Å²	25.6	74%	0.742	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	8.9	176.3	0	0	0	0	0	115.1	P220	P220-G223 PolarHBondContact O-N 3.32Å
224	V	88.5	Confident	94.8	Very high	45 Å²	45	25.6 Å²	25.6	27%	0.273	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.7	-178.8	-179.1	0	0	0	0	109.7	A219 P220 V222 D227	A219-V224 CarbonylContact C-O 3.32Å; A219-V224 WeakPolarHBondContact CA-O 3.37Å; A219-V224 HydrophobicContact CB-CB 4.42Å; A219-V224 PolarHBondContact N-O 2.83Å; A219-V224 PolarHBondContact O-N 2.91Å; A219-V224 VanDerWaalsContact O-O 3.09Å; P220-V224 VanDerWaalsContact N-O 3.1Å; V222-V224 VanDerWaalsContact C-N 3.34Å; V222-V224 HydrophobicContact CG2-CG2 4.42Å; V222-V224 PolarHBondContact O-N 3.22Å; V224-D227 HydrophobicContact CG1-CB 3.93Å
225	A	93.1	Very high	94.8	Very high	56 Å²	56	25 Å²	25	46%	0.463	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	-57.2	178.9	0	0	0	0	0	111.2	T181 F218	T181-A225 WeakPolarHBondContact CG2-O 3.34Å; F218-A225 WeakPolarHBondContact CA-O 3.45Å; F218-A225 WeakPolarHBondContact CB-O 3.29Å; F218-A225 VanDerWaalsContact CD1-O 3.27Å; F218-A225 WeakPolarHBondContact CD1-O 3.18Å
226	E	95.9	Very high	94.7	Very high	58 Å²	58	24.9 Å²	24.9	27%	0.271	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.9	172	-178.3	170.1	-169.9	0	0	109.1	R216 Y217 F218 S256	R216-E226 IonicContact CZ-OE1 3.61Å; R216-E226 IonicContact CZ-OE2 2.65Å; R216-E226 IonicContact NE-OE1 2.81Å; R216-E226 PolarHBondContact NE-OE1 3.38Å; R216-E226 IonicContact NE-OE2 3.58Å; R216-E226 VanDerWaalsContact NH2-CD 3.33Å; R216-E226 IonicContact NH2-OE1 3.75Å; R216-E226 PolarHBondContact NH2-OE1 3.07Å; R216-E226 IonicContact NH2-OE2 3.55Å; R216-E226 PolarHBondContact NH2-OE2 2.94Å; Y217-E226 WeakPolarHBondContact O-CA 3.49Å; F218-E226 HydrophobicContact CD1-CB 3.83Å; F218-E226 HydrophobicContact CD1-CG 4.07Å; F218-E226 HydrophobicContact CE1-CB 3.88Å; F218-E226 HydrophobicContact CE1-CG 3.81Å; F218-E226 HydrophobicContact CZ-CG 4.42Å; E226-S256 WeakPolarHBondContact OE1-CA 3.1Å
227	D	95.5	Very high	94.7	Very high	14 Å²	14	24 Å²	24	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.7	176.7	-169.2	32	0	0	0	109.4	N19 Y217 V224 T230 Q254	N19-D227 PolarHBondContact ND2-OD1 3.33Å; N19-D227 PolarHBondContact ND2-OD2 3.43Å; Y217-D227 HydrophobicContact CD1-CB 3.74Å; Y217-D227 HydrophobicContact CE1-CB 4.47Å; Y217-D227 PolarHBondContact O-N 3.2Å; V224-D227 HydrophobicContact CG1-CB 3.93Å; D227-T230 WeakPolarHBondContact CB-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD2-CA 3.33Å; D227-T230 VanDerWaalsContact OD2-CB 3.23Å; D227-T230 WeakPolarHBondContact OD2-CB 3.37Å; D227-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D227-T230 PolarHBondContact OD2-OG1 3.27Å; D227-Q254 PolarHBondContact O-NE2 3.19Å
228	P	97	Very high	94.7	Very high	18 Å²	18	22.9 Å²	22.9	12%	0.117	15%	0.152	C	C	.	.	S	Bend	trans	-60.8	-48.9	-178.8	-30.1	37.8	0	0	0	114.1	G18 N19 Q254 S256 R258	G18-P228 WeakPolarHBondContact O-CB 3.45Å; N19-P228 HydrophobicContact CB-CB 4.04Å; P228-Q254 PolarHBondContact O-NE2 3.25Å; P228-S256 WeakPolarHBondContact CA-OG 3.45Å; P228-S256 WeakPolarHBondContact O-CB 3.45Å; P228-S256 PolarHBondContact O-OG 3.07Å; P228-R258 HydrophobicContact CB-CB 4.14Å
229	V	98	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.155	C	C	.	.			trans	-152.7	123	176.7	-168.8	0	0	0	0	111	F11 N19 Q254 L262	F11-V229 HydrophobicContact CB-CB 4.05Å; F11-V229 HydrophobicContact CB-CG1 3.63Å; F11-V229 HydrophobicContact CB-CG2 4.09Å; F11-V229 HydrophobicContact CD1-CG1 4.48Å; F11-V229 HydrophobicContact CD2-CB 3.79Å; F11-V229 HydrophobicContact CD2-CG1 3.48Å; F11-V229 VanDerWaalsContact CD2-CG1 3.48Å; F11-V229 HydrophobicContact CE2-CG1 4.23Å; F11-V229 HydrophobicContact CG-CB 4.23Å; F11-V229 HydrophobicContact CG-CG1 3.62Å; N19-V229 HydrophobicContact CB-CB 4.08Å; N19-V229 HydrophobicContact CB-CG2 4.47Å; N19-V229 PolarHBondContact ND2-N 2.71Å; N19-V229 PolarHBondContact ND2-O 3.33Å; V229-Q254 VanDerWaalsContact CA-CD 3.5Å; V229-Q254 HydrophobicContact CG1-CB 4.34Å; V229-L262 HydrophobicContact CG1-CD1 3.76Å; V229-L262 HydrophobicContact CG1-CD2 4.03Å; V229-L262 HydrophobicContact CG1-CG 4.16Å
230	T	95.9	Very high	94.9	Very high	10 Å²	10	23.3 Å²	23.3	6%	0.061	16%	0.155	C	C	.	.			trans	-117.6	107.1	-170	-37.3	0	0	0	0	111.9	Y217 D227 S232 A233 H234 Q254	Y217-T230 HydrophobicContact CD1-CG2 3.7Å; Y217-T230 WeakPolarHBondContact CD1-OG1 3.47Å; Y217-T230 HydrophobicContact CE1-CG2 3.69Å; Y217-T230 HydrophobicContact CG-CG2 4.33Å; D227-T230 WeakPolarHBondContact CB-OG1 3.24Å; D227-T230 WeakPolarHBondContact OD2-CA 3.33Å; D227-T230 VanDerWaalsContact OD2-CB 3.23Å; D227-T230 WeakPolarHBondContact OD2-CB 3.37Å; D227-T230 WeakPolarHBondContact OD2-CG2 3.47Å; D227-T230 PolarHBondContact OD2-OG1 3.27Å; T230-S232 VanDerWaalsContact C-N 3.33Å; T230-S232 PolarHBondContact O-N 3.19Å; T230-A233 HydrophobicContact CG2-CB 3.94Å; T230-A233 PolarHBondContact O-N 2.79Å; T230-H234 PolarHBondContact O-N 3.14Å; T230-H234 VanDerWaalsContact O-N 3.11Å; T230-H234 PolarHBondContact O-ND1 2.87Å; T230-Q254 PolarHBondContact OG1-NE2 3.34Å
231	G	93.4	Very high	95.1	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-40.1	178.4	0	0	0	0	0	113.3	A233 H234 A235	G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.42Å; G231-H234 CarbonylContact O-C 2.85Å; G231-H234 PolarHBondContact O-N 3.25Å; G231-H234 VanDerWaalsContact O-N 3.14Å; G231-A235 PolarHBondContact O-N 2.9Å
232	S	92.8	Very high	95.3	Very high	37 Å²	37	20.3 Å²	20.3	26%	0.259	14%	0.142	S	C	.	.	H	α-helix	trans	-74.1	-22.1	179.6	70.2	0	0	0	0	113.4	K160 T230	K160-S232 VanDerWaalsContact NZ-CB 3.29Å; K160-S232 PolarHBondContact NZ-O 3.21Å; K160-S232 PolarHBondContact NZ-OG 2.97Å; T230-S232 VanDerWaalsContact C-N 3.33Å; T230-S232 PolarHBondContact O-N 3.19Å
233	A	97.4	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-72	-39	167.5	0	0	0	0	0	110.1	K160 I197 Y217 T230 G231 A235 V236 L237	K160-A233 HydrophobicContact CD-CB 4.3Å; I197-A233 HydrophobicContact CD1-CB 3.98Å; I197-A233 HydrophobicContact CG1-CB 4.02Å; Y217-A233 HydrophobicContact CD2-CB 3.87Å; Y217-A233 HydrophobicContact CE2-CB 4.26Å; Y217-A233 HydrophobicContact CG-CB 4.12Å; T230-A233 HydrophobicContact CG2-CB 3.94Å; T230-A233 PolarHBondContact O-N 2.79Å; G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.42Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.81Å; A233-V236 WeakPolarHBondContact O-CB 3.19Å; A233-V236 PolarHBondContact O-N 3.49Å; A233-V236 VanDerWaalsContact O-N 3.08Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 2.71Å
234	H	98.4	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-29.9	176.4	-73.1	85.2	0	0	0	113.1	F213 S215 T230 G231 V236 L237 S238 Q254 L262 I274	F213-H234 AromaticContact CE2-CD2 3.9Å; S215-H234 PolarHBondContact OG-CE1 3.29Å; S215-H234 PolarHBondContact OG-NE2 2.84Å; T230-H234 PolarHBondContact O-N 3.14Å; T230-H234 VanDerWaalsContact O-N 3.11Å; T230-H234 PolarHBondContact O-ND1 2.87Å; G231-H234 CarbonylContact O-C 2.85Å; G231-H234 PolarHBondContact O-N 3.25Å; G231-H234 VanDerWaalsContact O-N 3.14Å; H234-V236 PolarHBondContact O-N 3.44Å; H234-L237 PolarHBondContact O-N 3.18Å; H234-S238 WeakPolarHBondContact O-CB 3.36Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.79Å; H234-Q254 PolarHBondContact CE1-OE1 3.07Å; H234-L262 HydrophobicContact CB-CD2 3.98Å; H234-I274 HydrophobicContact CB-CD1 4.26Å
235	A	97.4	Very high	96.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-30.2	169.7	0	0	0	0	0	113.4	P124 L125 Y126 G231 A233 V272	P124-A235 WeakPolarHBondContact O-CB 3.47Å; L125-A235 WeakPolarHBondContact CD1-O 3.33Å; Y126-A235 HydrophobicContact CD2-CB 3.7Å; Y126-A235 HydrophobicContact CE2-CB 4.26Å; Y126-A235 PolarHBondContact N-O 3.4Å; G231-A235 PolarHBondContact O-N 2.9Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.81Å; A235-V272 HydrophobicContact CB-CG1 4.21Å
236	V	98.5	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-79.6	-50.9	173.4	-179.5	0	0	0	0	110.7	Y126 A128 T158 K160 L162 I197 A233 H234 S238 S239 Y240	Y126-V236 WeakPolarHBondContact O-CA 3.31Å; A128-V236 HydrophobicContact CB-CG1 3.84Å; T158-V236 HydrophobicContact CG2-CG2 4.11Å; T158-V236 WeakPolarHBondContact OG1-CG2 3.34Å; K160-V236 HydrophobicContact CD-CG2 4.3Å; L162-V236 HydrophobicContact CD1-CG1 4.3Å; I197-V236 HydrophobicContact CD1-CB 4.15Å; I197-V236 HydrophobicContact CD1-CG1 4.24Å; A233-V236 WeakPolarHBondContact O-CB 3.19Å; A233-V236 PolarHBondContact O-N 3.49Å; A233-V236 VanDerWaalsContact O-N 3.08Å; H234-V236 PolarHBondContact O-N 3.44Å; V236-S238 PolarHBondContact O-N 2.86Å; V236-S239 PolarHBondContact O-N 2.75Å; V236-S239 VanDerWaalsContact O-N 3.12Å; V236-Y240 PolarHBondContact O-N 2.84Å
237	L	98.7	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.6	-36.2	179.1	-75.5	157.6	0	0	0	112.6	L162 I197 T199 F213 A233 H234 S239 Y240 W241	L162-L237 HydrophobicContact CD1-CD2 3.78Å; L162-L237 HydrophobicContact CD1-CG 4.3Å; L162-L237 HydrophobicContact CG-CD2 4.42Å; I197-L237 HydrophobicContact CG2-CD1 3.81Å; I197-L237 HydrophobicContact CG2-CD2 3.76Å; I197-L237 HydrophobicContact CG2-CG 3.91Å; T199-L237 HydrophobicContact CG2-CD2 3.86Å; T199-L237 WeakPolarHBondContact OG1-CD2 3.43Å; F213-L237 HydrophobicContact CD2-CD2 4.49Å; F213-L237 HydrophobicContact CE2-CB 3.8Å; F213-L237 HydrophobicContact CE2-CD1 4.04Å; F213-L237 HydrophobicContact CE2-CD2 4.26Å; F213-L237 HydrophobicContact CE2-CG 4.27Å; F213-L237 HydrophobicContact CZ-CB 3.9Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 2.71Å; H234-L237 PolarHBondContact O-N 3.18Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; L237-Y240 PolarHBondContact O-N 2.98Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 2.81Å
238	S	98.6	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-41.5	178.3	-63.6	0	0	0	0	111.6	H234 V236 S242 M250 I264	H234-S238 WeakPolarHBondContact O-CB 3.36Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.79Å; V236-S238 PolarHBondContact O-N 2.86Å; S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 2.82Å; S238-M250 WeakPolarHBondContact O-CE 3.12Å; S238-I264 WeakPolarHBondContact OG-CG2 3.45Å
239	S	97.5	Very high	97.1	Very high	9 Å²	9	35 Å²	35	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-49.4	177	-171.1	0	0	0	0	110.4	Y126 V236 L237 Q243	Y126-S239 WeakPolarHBondContact O-CB 3.46Å; V236-S239 PolarHBondContact O-N 2.75Å; V236-S239 VanDerWaalsContact O-N 3.12Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; S239-Q243 WeakPolarHBondContact O-CG 3.45Å; S239-Q243 PolarHBondContact O-N 2.79Å
240	Y	98.7	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.02	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-56.7	179.9	179.5	-94.1	0	0	0	112.7	D151 C153 L162 R164 V236 L237 S242 Q243 H244	D151-Y240 WeakPolarHBondContact CB-OH 3.48Å; D151-Y240 WeakPolarHBondContact OD2-CE2 3.25Å; D151-Y240 PolarHBondContact OD2-OH 2.88Å; C153-Y240 HydrophobicContact CB-CD2 4.47Å; L162-Y240 HydrophobicContact CD1-CD1 4.26Å; L162-Y240 HydrophobicContact CD1-CD2 4.3Å; L162-Y240 HydrophobicContact CD1-CG 3.86Å; L162-Y240 HydrophobicContact CD2-CD1 4.28Å; L162-Y240 HydrophobicContact CD2-CD2 4.15Å; L162-Y240 HydrophobicContact CD2-CE1 4.31Å; L162-Y240 HydrophobicContact CD2-CE2 4.15Å; L162-Y240 HydrophobicContact CD2-CG 4.22Å; R164-Y240 HydrophobicContact CB-CE1 4.42Å; R164-Y240 WeakPolarHBondContact CD-OH 3.44Å; V236-Y240 PolarHBondContact O-N 2.84Å; L237-Y240 PolarHBondContact O-N 2.98Å; Y240-S242 PolarHBondContact O-N 2.91Å; Y240-Q243 PolarHBondContact O-N 3.09Å; Y240-H244 AromaticContact CD1-ND1 4Å; Y240-H244 AromaticContact CD2-CE1 3.72Å; Y240-H244 AromaticContact CD2-ND1 3.89Å; Y240-H244 AromaticContact CE1-CE1 3.99Å; Y240-H244 AromaticContact CE1-ND1 3.74Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.04Å; Y240-H244 AromaticContact CE2-ND1 3.64Å; Y240-H244 AromaticContact CE2-NE2 3.9Å; Y240-H244 AromaticContact CZ-CE1 3.3Å; Y240-H244 AromaticContact CZ-ND1 3.53Å; Y240-H244 AromaticContact CZ-NE2 3.72Å; Y240-H244 PolarHBondContact O-N 3.1Å; Y240-H244 PolarHBondContact O-ND1 3.19Å; Y240-H244 PolarHBondContact OH-CE1 2.78Å; Y240-H244 PolarHBondContact OH-NE2 3.39Å
241	W	98.4	Very high	97.1	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-72.3	-29.2	-175.3	-75.5	115.1	0	0	0	112.9	R164 T199 K201 F213 L237 Q243 H244 L245 M250	R164-W241 HydrophobicContact CG-CH2 4.14Å; R164-W241 HydrophobicContact CG-CZ2 4.26Å; T199-W241 HydrophobicContact CG2-CZ2 3.86Å; T199-W241 WeakPolarHBondContact OG1-CZ2 3.15Å; T199-W241 PolarHBondContact OG1-NE1 2.9Å; K201-W241 VanDerWaalsContact CA-CH2 3.45Å; K201-W241 HydrophobicContact CB-CH2 3.68Å; K201-W241 HydrophobicContact CB-CZ3 3.93Å; K201-W241 HydrophobicContact CG-CH2 4.32Å; K201-W241 HydrophobicContact CG-CZ3 4.06Å; K201-W241 VanDerWaalsContact N-CH2 3.34Å; F213-W241 HydrophobicContact CB-CD2 3.83Å; F213-W241 HydrophobicContact CB-CG 3.99Å; F213-W241 HydrophobicContact CB-CZ2 4.03Å; F213-W241 HydrophobicContact CD1-CB 3.78Å; F213-W241 AromaticContact CD1-CD1 3.44Å; F213-W241 VanDerWaalsContact CD1-CD1 3.44Å; F213-W241 HydrophobicContact CD1-CD2 4.28Å; F213-W241 AromaticContact CD1-CG 3.56Å; F213-W241 HydrophobicContact CD1-CG 3.56Å; F213-W241 AromaticContact CD2-CD1 3.52Å; F213-W241 HydrophobicContact CD2-CG 4.38Å; F213-W241 AromaticContact CD2-NE1 3.54Å; F213-W241 HydrophobicContact CE1-CB 3.97Å; F213-W241 AromaticContact CE1-CD1 3.75Å; F213-W241 HydrophobicContact CE1-CG 4.04Å; F213-W241 AromaticContact CE2-CD1 3.83Å; F213-W241 HydrophobicContact CG-CB 4.45Å; F213-W241 AromaticContact CG-CD1 3.3Å; F213-W241 HydrophobicContact CG-CD2 4.13Å; F213-W241 AromaticContact CG-CE2 3.98Å; F213-W241 AromaticContact CG-CG 3.74Å; F213-W241 HydrophobicContact CG-CG 3.74Å; F213-W241 AromaticContact CG-NE1 3.45Å; F213-W241 AromaticContact CZ-CD1 3.91Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 2.81Å; W241-Q243 VanDerWaalsContact C-N 3.26Å; W241-Q243 PolarHBondContact O-N 3.45Å; W241-H244 HydrophobicContact CE3-CB 4.14Å; W241-H244 HydrophobicContact CZ3-CB 4.49Å; W241-H244 PolarHBondContact O-N 3.46Å; W241-L245 HydrophobicContact CB-CD1 4.23Å; W241-L245 HydrophobicContact CE3-CD1 4.17Å; W241-L245 HydrophobicContact CE3-CD2 4.22Å; W241-L245 HydrophobicContact CE3-CG 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 4.47Å; W241-L245 VanDerWaalsContact O-CB 3.26Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 WeakPolarHBondContact O-CG 3.45Å; W241-L245 PolarHBondContact O-N 3Å; W241-M250 HydrophobicContact CB-SD 3.81Å
242	S	97.9	Very high	97.3	Very high	3 Å²	3	36 Å²	36	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-43	172.7	178.1	0	0	0	0	111.5	S238 Y240 G246 K247 K248 L266	S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 2.82Å; Y240-S242 PolarHBondContact O-N 2.91Å; S242-G246 VanDerWaalsContact O-CA 3.32Å; S242-G246 WeakPolarHBondContact O-CA 3.27Å; S242-G246 PolarHBondContact O-N 3.1Å; S242-K247 VanDerWaalsContact CA-O 3.25Å; S242-K247 WeakPolarHBondContact CA-O 3.35Å; S242-K247 WeakPolarHBondContact CB-O 3.37Å; S242-K247 PolarHBondContact O-N 3.01Å; S242-K247 PolarHBondContact OG-O 3.44Å; S242-K248 PolarHBondContact OG-NZ 2.87Å; S242-L266 VanDerWaalsContact CB-CD2 3.44Å; S242-L266 WeakPolarHBondContact OG-CD2 3.42Å
243	Q	96.8	Very high	97.6	Very high	133 Å²	133	35.2 Å²	35.2	62%	0.621	18%	0.182	S	C	*	.	H	α-helix	trans	-67.6	-43.8	178.5	-65.3	174.7	20.8	0	0	111.5	S239 Y240 W241	S239-Q243 WeakPolarHBondContact O-CG 3.45Å; S239-Q243 PolarHBondContact O-N 2.79Å; Y240-Q243 PolarHBondContact O-N 3.09Å; W241-Q243 VanDerWaalsContact C-N 3.26Å; W241-Q243 PolarHBondContact O-N 3.45Å
244	H	97.1	Very high	97.6	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.389	18%	0.182	S	C	.	.	H	α-helix	trans	-76.4	-28.2	-176	-73.1	82.7	0	0	0	114.4	D151 Y240 W241	D151-H244 IonicContact OD2-CE1 2.79Å; D151-H244 IonicContact OD2-NE2 2.78Å; Y240-H244 AromaticContact CD1-ND1 4Å; Y240-H244 AromaticContact CD2-CE1 3.72Å; Y240-H244 AromaticContact CD2-ND1 3.89Å; Y240-H244 AromaticContact CE1-CE1 3.99Å; Y240-H244 AromaticContact CE1-ND1 3.74Å; Y240-H244 AromaticContact CE2-CE1 3.16Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.04Å; Y240-H244 AromaticContact CE2-ND1 3.64Å; Y240-H244 AromaticContact CE2-NE2 3.9Å; Y240-H244 AromaticContact CZ-CE1 3.3Å; Y240-H244 AromaticContact CZ-ND1 3.53Å; Y240-H244 AromaticContact CZ-NE2 3.72Å; Y240-H244 PolarHBondContact O-N 3.1Å; Y240-H244 PolarHBondContact O-ND1 3.19Å; Y240-H244 PolarHBondContact OH-CE1 2.78Å; Y240-H244 PolarHBondContact OH-NE2 3.39Å; W241-H244 HydrophobicContact CE3-CB 4.14Å; W241-H244 HydrophobicContact CZ3-CB 4.49Å; W241-H244 PolarHBondContact O-N 3.46Å
245	L	96.1	Very high	97.6	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-99	-13.7	179.6	-58.9	177.3	0	0	0	112.7	K201 D212 W241 K247 M250	K201-L245 HydrophobicContact CD-CD2 4.49Å; K201-L245 HydrophobicContact CG-CD2 4.41Å; D212-L245 HydrophobicContact CB-CD1 3.81Å; W241-L245 HydrophobicContact CB-CD1 4.23Å; W241-L245 HydrophobicContact CE3-CD1 4.17Å; W241-L245 HydrophobicContact CE3-CD2 4.22Å; W241-L245 HydrophobicContact CE3-CG 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 4.47Å; W241-L245 VanDerWaalsContact O-CB 3.26Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 WeakPolarHBondContact O-CG 3.45Å; W241-L245 PolarHBondContact O-N 3Å; L245-K247 HydrophobicContact CB-CB 4.27Å; L245-K247 HydrophobicContact CB-CD 4.3Å; L245-K247 HydrophobicContact CB-CG 4.1Å; L245-K247 PolarHBondContact O-N 3.34Å; L245-M250 HydrophobicContact CD1-SD 4.09Å
246	G	96.7	Very high	97.5	Very high	71 Å²	71	36 Å²	36	73%	0.732	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	27.9	-172.4	0	0	0	0	0	112.9	S242	S242-G246 VanDerWaalsContact O-CA 3.32Å; S242-G246 WeakPolarHBondContact O-CA 3.27Å; S242-G246 PolarHBondContact O-N 3.1Å
247	K	96.6	Very high	97.4	Very high	91 Å²	91	44.2 Å²	44.2	40%	0.396	23%	0.226	S	C	.	.			trans	-116.5	151	-175	-67.7	-174	-179.3	-175.2	0	112.2	D212 S242 L245 M250	D212-K247 IonicContact OD1-NZ 2.66Å; D212-K247 PolarHBondContact OD1-NZ 3.05Å; S242-K247 VanDerWaalsContact CA-O 3.25Å; S242-K247 WeakPolarHBondContact CA-O 3.35Å; S242-K247 WeakPolarHBondContact CB-O 3.37Å; S242-K247 PolarHBondContact O-N 3.01Å; S242-K247 PolarHBondContact OG-O 3.44Å; L245-K247 HydrophobicContact CB-CB 4.27Å; L245-K247 HydrophobicContact CB-CD 4.3Å; L245-K247 HydrophobicContact CB-CG 4.1Å; L245-K247 PolarHBondContact O-N 3.34Å; K247-M250 HydrophobicContact CB-CG 3.91Å; K247-M250 HydrophobicContact CB-SD 4.46Å
248	K	97.9	Very high	97.3	Very high	121 Å²	121	46.9 Å²	46.9	53%	0.526	24%	0.236	S	C	.	.	S	Bend	trans	-110.7	-31.5	171.7	-60.6	-62.3	172.1	-165.3	0	112.5	S242 S265 L266	S242-K248 PolarHBondContact OG-NZ 2.87Å; K248-S265 WeakPolarHBondContact O-CA 3.5Å; K248-L266 HydrophobicContact CB-CB 4.31Å; K248-L266 HydrophobicContact CD-CB 3.8Å; K248-L266 HydrophobicContact CD-CD2 4.04Å; K248-L266 PolarHBondContact O-N 3.36Å
249	E	97.4	Very high	97.3	Very high	126 Å²	126	47.1 Å²	47.1	59%	0.589	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.5	167.3	-60.4	-57.3	145.3	0	0	109.2	I264 S265	E249-I264 CarbonylContact C-O 3.59Å; E249-I264 WeakPolarHBondContact CA-O 3.33Å; E249-S265 WeakPolarHBondContact OE1-CB 3.36Å; E249-S265 PolarHBondContact OE1-OG 3.49Å; E249-S265 WeakPolarHBondContact OE2-CB 3.45Å
250	M	97.1	Very high	97.2	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.044	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.7	179.2	-66.4	176.2	-70.9	0	0	111.3	D212 F213 S238 W241 L245 K247 I264 L266	D212-M250 HydrophobicContact CB-CB 4.15Å; D212-M250 HydrophobicContact CB-CG 4.34Å; D212-M250 VanDerWaalsContact OD2-CA 3.24Å; D212-M250 WeakPolarHBondContact OD2-CA 3.16Å; F213-M250 HydrophobicContact CE1-CB 4.41Å; F213-M250 HydrophobicContact CE1-SD 4.27Å; S238-M250 WeakPolarHBondContact O-CE 3.12Å; W241-M250 HydrophobicContact CB-SD 3.81Å; L245-M250 HydrophobicContact CD1-SD 4.09Å; K247-M250 HydrophobicContact CB-CG 3.91Å; K247-M250 HydrophobicContact CB-SD 4.46Å; M250-I264 HydrophobicContact CB-CB 4.21Å; M250-I264 HydrophobicContact CE-CG2 3.92Å; M250-I264 PolarHBondContact N-O 3.39Å; M250-I264 PolarHBondContact O-N 2.68Å; M250-L266 HydrophobicContact CE-CD1 3.74Å
251	H	96.1	Very high	97.1	Very high	24 Å²	24	50.4 Å²	50.4	11%	0.111	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.8	172.2	-164.6	-152.9	0	0	0	110.5	Q209 F211 D212 E261 L262	Q209-H251 PolarHBondContact NE2-CE1 2.83Å; Q209-H251 VanDerWaalsContact NE2-CE1 3.31Å; Q209-H251 PolarHBondContact NE2-ND1 2.75Å; F211-H251 CarbonylContact C-O 3.41Å; F211-H251 WeakPolarHBondContact CA-O 3.39Å; F211-H251 HydrophobicContact CD1-CB 4.46Å; F211-H251 AromaticContact CD1-CE1 3.8Å; F211-H251 AromaticContact CD1-CG 3.82Å; F211-H251 AromaticContact CD1-ND1 3.52Å; F211-H251 AromaticContact CE1-CE1 3.27Å; F211-H251 WeakPolarHBondContact CE1-CE1 3.41Å; F211-H251 AromaticContact CE1-ND1 3.49Å; F211-H251 WeakPolarHBondContact CE1-ND1 3.43Å; F211-H251 AromaticContact CE1-NE2 3.73Å; D212-H251 PolarHBondContact N-O 3.28Å; D212-H251 PolarHBondContact OD2-N 2.87Å; H251-E261 IonicContact CE1-OE2 3.21Å; H251-E261 IonicContact NE2-OE2 3.39Å; H251-L262 PolarHBondContact CD2-O 3.2Å
252	A	97.9	Very high	97.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.3	-175	0	0	0	0	0	112.1	F213 E261 L262 I264	F213-A252 HydrophobicContact CD1-CB 4.3Å; F213-A252 HydrophobicContact CD2-CB 3.95Å; F213-A252 HydrophobicContact CE1-CB 3.83Å; F213-A252 HydrophobicContact CE2-CB 3.4Å; F213-A252 VanDerWaalsContact CE2-CB 3.4Å; F213-A252 HydrophobicContact CG-CB 4.37Å; F213-A252 HydrophobicContact CZ-CB 3.37Å; F213-A252 WeakPolarHBondContact O-CA 3.31Å; A252-E261 WeakPolarHBondContact O-CA 3.47Å; A252-L262 HydrophobicContact CB-CB 4.5Å; A252-L262 PolarHBondContact N-O 2.97Å; A252-L262 PolarHBondContact O-N 2.7Å; A252-I264 HydrophobicContact CB-CD1 3.79Å
253	F	97.6	Very high	97	Very high	22 Å²	22	50.8 Å²	50.8	10%	0.096	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124	170.4	-167.3	-80.4	0	0	0	111	R171 F211 F213 Y214 S215 G260 E261	R171-F253 VanDerWaalsContact NH2-CZ 3.28Å; F211-F253 HydrophobicContact CD1-CB 3.71Å; F211-F253 HydrophobicContact CD2-CB 4.08Å; F211-F253 HydrophobicContact CE1-CB 3.77Å; F211-F253 AromaticContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CD2 3.88Å; F211-F253 HydrophobicContact CE1-CG 4.33Å; F211-F253 HydrophobicContact CE2-CB 4.15Å; F211-F253 AromaticContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CD2 3.98Å; F211-F253 HydrophobicContact CE2-CG 4.35Å; F211-F253 HydrophobicContact CG-CB 3.86Å; F211-F253 HydrophobicContact CZ-CB 4.01Å; F211-F253 AromaticContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CD2 3.51Å; F211-F253 HydrophobicContact CZ-CE2 4.43Å; F211-F253 HydrophobicContact CZ-CG 4.17Å; F213-F253 PolarHBondContact O-N 3.42Å; Y214-F253 CarbonylContact C-O 3.59Å; Y214-F253 VanDerWaalsContact CA-O 3.3Å; Y214-F253 WeakPolarHBondContact CA-O 3.43Å; Y214-F253 HydrophobicContact CD1-CB 3.93Å; Y214-F253 HydrophobicContact CE1-CB 4.19Å; S215-F253 PolarHBondContact N-O 2.88Å; F253-G260 CarbonylContact C-O 3.55Å; F253-G260 VanDerWaalsContact CA-O 3.3Å; F253-G260 WeakPolarHBondContact CA-O 3.34Å; F253-E261 HydrophobicContact CD2-CB 4.49Å; F253-E261 HydrophobicContact CD2-CG 3.63Å; F253-E261 HydrophobicContact CE2-CG 3.72Å
254	Q	98.4	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112	171	-170.7	161.7	-35.9	0	0	109.3	S215 D227 P228 V229 T230 H234 S256 G259 G260	S215-Q254 CarbonylContact O-C 3.57Å; S215-Q254 VanDerWaalsContact O-CA 3.29Å; S215-Q254 WeakPolarHBondContact O-CA 3.33Å; D227-Q254 PolarHBondContact O-NE2 3.19Å; P228-Q254 PolarHBondContact O-NE2 3.25Å; V229-Q254 VanDerWaalsContact CA-CD 3.5Å; V229-Q254 HydrophobicContact CG1-CB 4.34Å; T230-Q254 PolarHBondContact OG1-NE2 3.34Å; H234-Q254 PolarHBondContact CE1-OE1 3.07Å; Q254-S256 PolarHBondContact O-N 3.13Å; Q254-G259 VanDerWaalsContact O-CA 3.24Å; Q254-G259 WeakPolarHBondContact O-CA 3.24Å; Q254-G260 PolarHBondContact N-O 2.92Å; Q254-G260 PolarHBondContact O-N 2.79Å
255	C	97.3	Very high	97.2	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.027	22%	0.219	C	C	.	.			trans	-80.6	36.5	-173.4	-67.4	0	0	0	0	114.1	L174 E175 S215 R216	L174-C255 HydrophobicContact CD2-CB 4.33Å; L174-C255 HydrophobicContact CG-CB 4.41Å; E175-C255 HydrophobicContact CG-CB 3.65Å; S215-C255 PolarHBondContact O-N 2.77Å; R216-C255 HydrophobicContact CG-CB 3.92Å
256	S	97.2	Very high	97.3	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.091	21%	0.214	C	C	.	.	S	Bend	trans	-68.9	170.9	168.8	70.1	0	0	0	0	110.6	E226 P228 Q254 R258 G259	E226-S256 WeakPolarHBondContact OE1-CA 3.1Å; P228-S256 WeakPolarHBondContact CA-OG 3.45Å; P228-S256 WeakPolarHBondContact O-CB 3.45Å; P228-S256 PolarHBondContact O-OG 3.07Å; Q254-S256 PolarHBondContact O-N 3.13Å; S256-R258 PolarHBondContact O-N 3.25Å; S256-G259 PolarHBondContact O-N 3.4Å; S256-G259 PolarHBondContact OG-N 3.38Å
257	H	95.7	Very high	97.3	Very high	172 Å²	172	40.8 Å²	40.8	80%	0.796	19%	0.191	S	C	*	.	S	Bend	trans	-54	-38.3	174.9	179.6	74.3	0	0	0	112.8	R17	R17-H257 PolarHBondContact NH1-O 2.84Å
258	R	97.2	Very high	97.2	Very high	56 Å²	56	43.3 Å²	43.3	21%	0.211	22%	0.217	C	C	.	.	S	Bend	trans	-76.8	-39.2	176.4	-68.9	-174.2	61	99.9	-5.4	111.2	D9 F16 R17 G18 P228 S256	D9-R258 IonicContact OD1-CZ 2.75Å; D9-R258 IonicContact OD1-NH2 2.79Å; D9-R258 PolarHBondContact OD1-NH2 3.28Å; D9-R258 IonicContact OD2-NH2 3.88Å; D9-R258 PolarHBondContact OD2-NH2 3.3Å; F16-R258 VanDerWaalsContact C-CZ 3.49Å; F16-R258 PolarHBondContact O-NH1 2.75Å; R17-R258 WeakPolarHBondContact CD-O 3.26Å; R17-R258 PolarHBondContact NH1-O 3.42Å; R17-R258 PolarHBondContact O-NH2 2.9Å; G18-R258 WeakPolarHBondContact O-CB 3.46Å; G18-R258 WeakPolarHBondContact O-CD 3.49Å; G18-R258 PolarHBondContact O-NE 2.89Å; P228-R258 HydrophobicContact CB-CB 4.14Å; S256-R258 PolarHBondContact O-N 3.25Å
259	G	96.9	Very high	97.1	Very high	6 Å²	6	42 Å²	42	6%	0.062	22%	0.216	C	C	.	.			trans	72.9	144.9	179	0	0	0	0	0	112.6	G18 Q254 S256	G18-G259 VanDerWaalsContact CA-O 3.28Å; G18-G259 WeakPolarHBondContact CA-O 3.43Å; G18-G259 PolarHBondContact N-O 3.15Å; Q254-G259 VanDerWaalsContact O-CA 3.24Å; Q254-G259 WeakPolarHBondContact O-CA 3.24Å; S256-G259 PolarHBondContact O-N 3.4Å; S256-G259 PolarHBondContact OG-N 3.38Å
260	G	97.2	Very high	96.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	157.8	173.2	0	0	0	0	0	113.8	F11 F253 Q254	F11-G260 VanDerWaalsContact O-CA 3.3Å; F11-G260 WeakPolarHBondContact O-CA 3.19Å; F253-G260 CarbonylContact C-O 3.55Å; F253-G260 VanDerWaalsContact CA-O 3.3Å; F253-G260 WeakPolarHBondContact CA-O 3.34Å; Q254-G260 PolarHBondContact N-O 2.92Å; Q254-G260 PolarHBondContact O-N 2.79Å
261	E	96.1	Very high	96.9	Very high	82 Å²	82	41.1 Å²	41.1	38%	0.383	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.4	-168.5	-40.8	-163.5	174.5	0	0	110.2	F11 F211 H251 A252 F253	F11-E261 PolarHBondContact O-N 2.58Å; F211-E261 HydrophobicContact CE1-CB 4.35Å; F211-E261 HydrophobicContact CE1-CG 4.33Å; F211-E261 HydrophobicContact CZ-CG 4.36Å; H251-E261 IonicContact CE1-OE2 3.21Å; H251-E261 IonicContact NE2-OE2 3.39Å; A252-E261 WeakPolarHBondContact O-CA 3.47Å; F253-E261 HydrophobicContact CD2-CB 4.49Å; F253-E261 HydrophobicContact CD2-CG 3.63Å; F253-E261 HydrophobicContact CE2-CG 3.72Å
262	L	97.6	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.7	-178.5	-50	90.5	0	0	0	110.4	F11 V229 H234 H251 A252 I274 R275	F11-L262 HydrophobicContact CD1-CD2 3.71Å; F11-L262 HydrophobicContact CD1-CG 3.8Å; F11-L262 HydrophobicContact CE1-CD2 3.73Å; F11-L262 HydrophobicContact CE1-CG 4.28Å; F11-L262 HydrophobicContact CG-CD2 4.24Å; F11-L262 HydrophobicContact CG-CG 4.3Å; F11-L262 HydrophobicContact CZ-CD2 4.22Å; V229-L262 HydrophobicContact CG1-CD1 3.76Å; V229-L262 HydrophobicContact CG1-CD2 4.03Å; V229-L262 HydrophobicContact CG1-CG 4.16Å; H234-L262 HydrophobicContact CB-CD2 3.98Å; H251-L262 PolarHBondContact CD2-O 3.2Å; A252-L262 HydrophobicContact CB-CB 4.5Å; A252-L262 PolarHBondContact N-O 2.97Å; A252-L262 PolarHBondContact O-N 2.7Å; L262-I274 HydrophobicContact CB-CG2 4.28Å; L262-I274 HydrophobicContact CD2-CG2 3.67Å; L262-R275 CarbonylContact C-O 3.6Å; L262-R275 WeakPolarHBondContact CA-O 3.26Å
263	G	97	Very high	96.9	Very high	11 Å²	11	41 Å²	41	11%	0.113	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137	162.8	0	0	0	0	0	109.6	I274 R275	G263-I274 CarbonylContact O-C 3.57Å; G263-I274 WeakPolarHBondContact O-CA 3.49Å; G263-R275 PolarHBondContact N-O 3.1Å; G263-R275 PolarHBondContact O-N 3.38Å
264	I	98.1	Very high	97	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.3	-174.5	-65.8	164.1	0	0	0	108.3	F213 S238 E249 M250 A252 L266 V272 D273 I274	F213-I264 HydrophobicContact CE1-CD1 3.7Å; F213-I264 HydrophobicContact CZ-CD1 3.42Å; F213-I264 VanDerWaalsContact CZ-CD1 3.42Å; S238-I264 WeakPolarHBondContact OG-CG2 3.45Å; E249-I264 CarbonylContact C-O 3.59Å; E249-I264 WeakPolarHBondContact CA-O 3.33Å; M250-I264 HydrophobicContact CB-CB 4.21Å; M250-I264 HydrophobicContact CE-CG2 3.92Å; M250-I264 PolarHBondContact N-O 3.39Å; M250-I264 PolarHBondContact O-N 2.68Å; A252-I264 HydrophobicContact CB-CD1 3.79Å; I264-L266 HydrophobicContact CG2-CD1 3.75Å; I264-V272 HydrophobicContact CG2-CG2 3.88Å; I264-D273 WeakPolarHBondContact CA-O 3.48Å; I264-I274 HydrophobicContact CB-CD1 4.49Å; I264-I274 HydrophobicContact CG1-CD1 3.79Å; I264-I274 HydrophobicContact CG2-CD1 4.42Å
265	S	98.2	Very high	96.9	Very high	27 Å²	27	43.7 Å²	43.7	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116	172	157.7	0	0	0	0	109.4	K248 E249 D273	K248-S265 WeakPolarHBondContact O-CA 3.5Å; E249-S265 WeakPolarHBondContact OE1-CB 3.36Å; E249-S265 PolarHBondContact OE1-OG 3.49Å; E249-S265 WeakPolarHBondContact OE2-CB 3.45Å; S265-D273 PolarHBondContact N-O 2.97Å; S265-D273 PolarHBondContact O-N 3.24Å
266	L	98.4	Very high	96.9	Very high	20 Å²	20	43.7 Å²	43.7	11%	0.105	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.5	172.8	-84.4	71.7	0	0	0	110.3	L125 S242 K248 M250 I264 V272	L125-L266 HydrophobicContact CD1-CD2 4.48Å; L125-L266 HydrophobicContact CD1-CG 4.3Å; L125-L266 HydrophobicContact CD2-CD2 4.12Å; L125-L266 HydrophobicContact CD2-CG 4.42Å; S242-L266 VanDerWaalsContact CB-CD2 3.44Å; S242-L266 WeakPolarHBondContact OG-CD2 3.42Å; K248-L266 HydrophobicContact CB-CB 4.31Å; K248-L266 HydrophobicContact CD-CB 3.8Å; K248-L266 HydrophobicContact CD-CD2 4.04Å; K248-L266 PolarHBondContact O-N 3.36Å; M250-L266 HydrophobicContact CE-CD1 3.74Å; I264-L266 HydrophobicContact CG2-CD1 3.75Å; L266-V272 HydrophobicContact CD1-CG2 4.3Å
267	R	97	Very high	96.9	Very high	69 Å²	69	43.9 Å²	43.9	26%	0.26	24%	0.236	S	C	.	.			trans	-92.7	151.6	-178.5	-66.5	166.9	49.8	160.9	-1.6	112	D122 D269 G270 R271 D273	D122-R267 IonicContact OD1-NH1 2.77Å; D122-R267 PolarHBondContact OD1-NH1 3.19Å; D122-R267 IonicContact OD2-CZ 2.68Å; D122-R267 IonicContact OD2-NH1 3.42Å; D122-R267 PolarHBondContact OD2-NH1 3.04Å; D122-R267 IonicContact OD2-NH2 3.96Å; R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.73Å; R267-D269 IonicContact CZ-OD2 2.84Å; R267-D269 IonicContact NE-OD1 2.83Å; R267-D269 PolarHBondContact NE-OD1 2.97Å; R267-D269 VanDerWaalsContact NE-OD1 3.09Å; R267-D269 IonicContact NE-OD2 3.81Å; R267-D269 PolarHBondContact NE-OD2 3.37Å; R267-D269 IonicContact NH2-OD1 3.3Å; R267-D269 IonicContact NH2-OD2 3.64Å; R267-D269 PolarHBondContact NH2-OD2 2.83Å; R267-D269 PolarHBondContact O-N 2.88Å; R267-G270 PolarHBondContact O-N 3.14Å; R267-R271 WeakPolarHBondContact CB-O 3.14Å; R267-R271 PolarHBondContact N-O 2.88Å; R267-D273 IonicContact NH1-OD1 3.81Å
268	P	95	Very high	97	Very high	145 Å²	145	36.5 Å²	36.5	94%	0.942	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.4	176.8	-24.3	34.7	0	0	0	114.7	G270	P268-G270 PolarHBondContact O-N 3.27Å
269	D	95.3	Very high	97	Very high	92 Å²	92	34.6 Å²	34.6	49%	0.492	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	12.8	179.8	65.5	-13.6	0	0	0	113.7	R267 R271	R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.73Å; R267-D269 IonicContact CZ-OD2 2.84Å; R267-D269 IonicContact NE-OD1 2.83Å; R267-D269 PolarHBondContact NE-OD1 2.97Å; R267-D269 VanDerWaalsContact NE-OD1 3.09Å; R267-D269 IonicContact NE-OD2 3.81Å; R267-D269 PolarHBondContact NE-OD2 3.37Å; R267-D269 IonicContact NH2-OD1 3.3Å; R267-D269 IonicContact NH2-OD2 3.64Å; R267-D269 PolarHBondContact NH2-OD2 2.83Å; R267-D269 PolarHBondContact O-N 2.88Å; D269-R271 VanDerWaalsContact C-N 3.34Å; D269-R271 PolarHBondContact OD1-N 3.36Å
270	G	93.6	Very high	97.1	Very high	45 Å²	45	35.9 Å²	35.9	46%	0.464	21%	0.207	S	C	.	.	S	Bend	trans	78.1	17.6	177.4	0	0	0	0	0	114	L125 R267 P268	L125-G270 VanDerWaalsContact CB-O 3.25Å; L125-G270 WeakPolarHBondContact CB-O 3.43Å; R267-G270 PolarHBondContact O-N 3.14Å; P268-G270 PolarHBondContact O-N 3.27Å
271	R	96.2	Very high	97.1	Very high	72 Å²	72	38.4 Å²	38.4	27%	0.272	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	170.1	175.5	-61.3	-176.9	61.4	83.1	5.3	111.3	D122 R267 D269	D122-R271 VanDerWaalsContact C-NH2 3.32Å; D122-R271 VanDerWaalsContact CG-NH2 3.34Å; D122-R271 PolarHBondContact O-NH2 3.44Å; D122-R271 IonicContact OD1-CZ 3.87Å; D122-R271 IonicContact OD1-NE 3.38Å; D122-R271 PolarHBondContact OD1-NE 3.12Å; D122-R271 IonicContact OD1-NH2 2.8Å; D122-R271 PolarHBondContact OD1-NH2 2.72Å; D122-R271 IonicContact OD2-NE 2.77Å; D122-R271 IonicContact OD2-NH2 3.89Å; R267-R271 WeakPolarHBondContact CB-O 3.14Å; R267-R271 PolarHBondContact N-O 2.88Å; D269-R271 VanDerWaalsContact C-N 3.34Å; D269-R271 PolarHBondContact OD1-N 3.36Å
272	V	97.9	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	176.6	65.2	0	0	0	0	110.7	L123 L125 A235 I264 L266 I274	L123-V272 HydrophobicContact CB-CG1 4.13Å; L123-V272 PolarHBondContact N-O 3.46Å; L123-V272 PolarHBondContact O-N 3.45Å; L125-V272 HydrophobicContact CB-CB 4.38Å; L125-V272 HydrophobicContact CB-CG1 4.43Å; L125-V272 HydrophobicContact CD1-CB 3.91Å; L125-V272 HydrophobicContact CD1-CG1 4.21Å; L125-V272 HydrophobicContact CD1-CG2 4.41Å; A235-V272 HydrophobicContact CB-CG1 4.21Å; I264-V272 HydrophobicContact CG2-CG2 3.88Å; L266-V272 HydrophobicContact CD1-CG2 4.3Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 4.25Å; V272-I274 HydrophobicContact CG2-CD1 3.64Å; V272-I274 HydrophobicContact CG2-CG1 4.32Å
273	D	97.9	Very high	97.2	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.112	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.8	168.3	-78.8	-25.8	0	0	0	108.4	R113 V120 L121 I264 S265 R267	R113-D273 IonicContact CZ-OD2 3.07Å; R113-D273 IonicContact NH2-OD1 3.89Å; R113-D273 PolarHBondContact NH2-OD1 3.31Å; R113-D273 IonicContact NH2-OD2 3.69Å; R113-D273 PolarHBondContact NH2-OD2 3.31Å; V120-D273 HydrophobicContact CG1-CB 3.56Å; L121-D273 WeakPolarHBondContact O-CA 3.37Å; I264-D273 WeakPolarHBondContact CA-O 3.48Å; S265-D273 PolarHBondContact N-O 2.97Å; S265-D273 PolarHBondContact O-N 3.24Å; R267-D273 IonicContact NH1-OD1 3.81Å
274	I	98	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.6	174.7	-55.9	-62.4	0	0	0	108.7	F11 L121 L123 H234 L262 G263 I264 V272	F11-I274 HydrophobicContact CE1-CG2 3.75Å; F11-I274 HydrophobicContact CZ-CG2 4.32Å; L121-I274 PolarHBondContact N-O 3.47Å; L121-I274 PolarHBondContact O-N 3.19Å; L123-I274 HydrophobicContact CD1-CB 4.32Å; L123-I274 HydrophobicContact CD1-CG1 3.92Å; H234-I274 HydrophobicContact CB-CD1 4.26Å; L262-I274 HydrophobicContact CB-CG2 4.28Å; L262-I274 HydrophobicContact CD2-CG2 3.67Å; G263-I274 CarbonylContact O-C 3.57Å; G263-I274 WeakPolarHBondContact O-CA 3.49Å; I264-I274 HydrophobicContact CB-CD1 4.49Å; I264-I274 HydrophobicContact CG1-CD1 3.79Å; I264-I274 HydrophobicContact CG2-CD1 4.42Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 4.25Å; V272-I274 HydrophobicContact CG2-CD1 3.64Å; V272-I274 HydrophobicContact CG2-CG1 4.32Å
275	R	97.7	Very high	97.2	Very high	79 Å²	79	48.9 Å²	48.9	30%	0.298	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.9	178.6	-171.7	175.7	67	133.9	0.2	110.9	D117 I119 V120 L262 G263	D117-R275 VanDerWaalsContact CB-NH1 3.33Å; D117-R275 IonicContact OD2-CZ 3.95Å; D117-R275 IonicContact OD2-NH1 2.69Å; D117-R275 PolarHBondContact OD2-NH1 2.9Å; I119-R275 VanDerWaalsContact O-CA 3.31Å; I119-R275 WeakPolarHBondContact O-CA 3.49Å; V120-R275 HydrophobicContact CG2-CB 4.02Å; V120-R275 HydrophobicContact CG2-CG 3.91Å; L262-R275 CarbonylContact C-O 3.6Å; L262-R275 WeakPolarHBondContact CA-O 3.26Å; G263-R275 PolarHBondContact N-O 3.1Å; G263-R275 PolarHBondContact O-N 3.38Å
276	G	97.6	Very high	97.1	Very high	4 Å²	4	49 Å²	49	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.6	170.9	0	0	0	0	0	112.4	I119	I119-G276 PolarHBondContact N-O 3.48Å; I119-G276 PolarHBondContact O-N 2.67Å
277	G	96.9	Very high	96.8	Very high	18 Å²	18	52.9 Å²	52.9	19%	0.186	31%	0.308	C	S	.	.			trans	-74.1	167.7	165.7	0	0	0	0	0	111.8	F11 T12 L84	F11-G277 WeakPolarHBondContact CA-O 3.23Å; F11-G277 PolarHBondContact N-O 3.28Å; T12-G277 PolarHBondContact N-O 3.49Å; T12-G277 VanDerWaalsContact N-O 3.12Å; T12-G277 CarbonylContact O-C 3.55Å; L84-G277 WeakPolarHBondContact CD2-O 3.14Å
278	A	97.4	Very high	96.1	Very high	16 Å²	16	54.5 Å²	54.5	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.7	166.5	0	0	0	0	0	111.7	D9 T12 L84 A88	D9-A278 VanDerWaalsContact O-CA 3.25Å; D9-A278 WeakPolarHBondContact O-CA 3.36Å; T12-A278 CarbonylContact O-C 3.51Å; T12-A278 WeakPolarHBondContact O-CA 3.44Å; T12-A278 PolarHBondContact O-N 3.14Å; L84-A278 HydrophobicContact CD2-CB 3.7Å; A88-A278 HydrophobicContact CB-CB 3.29Å
279	A	97.4	Very high	96.1	Very high	16 Å²	16	50 Å²	50	13%	0.132	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.6	171.8	0	0	0	0	0	109.9	A8 D9 T12 V281	A8-A279 CarbonylContact C-O 3.56Å; A8-A279 WeakPolarHBondContact CA-O 3.35Å; D9-A279 HydrophobicContact CB-CB 4.36Å; D9-A279 PolarHBondContact N-O 3.42Å; D9-A279 PolarHBondContact O-N 2.98Å; T12-A279 PolarHBondContact O-N 2.84Å; A279-V281 PolarHBondContact O-N 3.03Å
280	V	97.8	Very high	96.2	Very high	33 Å²	33	47.7 Å²	47.7	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.4	173.1	-173.2	0	0	0	0	108.6	F6 I7 A8 V89 K93	F6-V280 HydrophobicContact CB-CG1 4.32Å; F6-V280 HydrophobicContact CD1-CG1 4.22Å; I7-V280 CarbonylContact O-C 3.58Å; A8-V280 HydrophobicContact CB-CG2 4.05Å; V89-V280 HydrophobicContact CG2-CG2 4.45Å; K93-V280 HydrophobicContact CD-CG1 4.43Å; K93-V280 HydrophobicContact CG-CB 4.34Å; K93-V280 HydrophobicContact CG-CG1 4.08Å; K93-V280 HydrophobicContact CG-CG2 4.1Å
281	V	97.9	Very high	96.3	Very high	54 Å²	54	47.9 Å²	47.9	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-23.6	-171.3	-62.8	0	0	0	0	113.7	I7 D9 A15 A279	I7-V281 HydrophobicContact CB-CG2 3.94Å; I7-V281 HydrophobicContact CG2-CG2 3.72Å; I7-V281 WeakPolarHBondContact O-CG2 3.49Å; I7-V281 PolarHBondContact O-N 3.36Å; D9-V281 VanDerWaalsContact OD2-CG1 3.27Å; D9-V281 WeakPolarHBondContact OD2-CG1 3.36Å; A15-V281 HydrophobicContact CB-CG1 3.57Å; A279-V281 PolarHBondContact O-N 3.03Å
282	L	98.2	Very high	96.3	Very high	83 Å²	83	46.5 Å²	46.5	44%	0.435	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.2	176.3	-172.6	146.5	0	0	0	109.9	F6 I7	F6-L282 CarbonylContact C-O 3.56Å; F6-L282 WeakPolarHBondContact CA-O 3.16Å; I7-L282 HydrophobicContact CB-CB 3.9Å; I7-L282 HydrophobicContact CD1-CB 4.12Å; I7-L282 HydrophobicContact CD1-CD1 4.2Å; I7-L282 HydrophobicContact CD1-CD2 4.45Å; I7-L282 HydrophobicContact CD1-CG 4.5Å; I7-L282 HydrophobicContact CG1-CB 4.04Å; I7-L282 HydrophobicContact CG1-CD2 4.31Å; I7-L282 PolarHBondContact N-O 3.46Å; I7-L282 PolarHBondContact O-N 2.81Å
283	E	98.3	Very high	96.2	Very high	113 Å²	113	49.4 Å²	49.4	53%	0.528	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136	172.6	171.8	171	-173.2	0	0	107.6	I5 F6 K93	I5-E283 CarbonylContact O-C 3.57Å; I5-E283 WeakPolarHBondContact O-CA 3.39Å; F6-E283 HydrophobicContact CD1-CB 3.86Å; F6-E283 HydrophobicContact CD1-CG 3.79Å; F6-E283 HydrophobicContact CE1-CB 4.08Å; F6-E283 VanDerWaalsContact CE1-CD 3.48Å; F6-E283 HydrophobicContact CE1-CG 3.48Å; F6-E283 VanDerWaalsContact CE1-CG 3.48Å; F6-E283 HydrophobicContact CZ-CG 4.32Å; K93-E283 IonicContact NZ-OE2 3.32Å; K93-E283 PolarHBondContact NZ-OE2 3Å
284	G	97.5	Very high	96.1	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-164.3	-177.9	0	0	0	0	0	113.1	I5	I5-G284 PolarHBondContact N-O 3.2Å; I5-G284 PolarHBondContact O-N 3.19Å
285	T	97.7	Very high	96	Very high	89 Å²	89	54.9 Å²	54.9	55%	0.546	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.4	176	-57.9	0	0	0	0	108.9	K2 L3	K2-T285 HydrophobicContact CB-CG2 3.86Å; K2-T285 HydrophobicContact CG-CG2 4.26Å; L3-T285 CarbonylContact O-C 3.55Å; L3-T285 WeakPolarHBondContact O-CA 3.2Å
286	L	95.3	Very high	95.8	Very high	29 Å²	29	53.1 Å²	53.1	15%	0.152	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.8	170	-177.2	147	0	0	0	108.8	K2 L3 I5 I38 A288	K2-L286 WeakPolarHBondContact CA-O 3.14Å; L3-L286 HydrophobicContact CB-CB 4.32Å; L3-L286 PolarHBondContact N-O 3.12Å; L3-L286 PolarHBondContact O-N 2.6Å; I5-L286 HydrophobicContact CB-CB 4.29Å; I5-L286 HydrophobicContact CD1-CB 4.37Å; I5-L286 HydrophobicContact CD1-CD1 3.89Å; I5-L286 HydrophobicContact CG2-CB 4.05Å; I38-L286 HydrophobicContact CB-CD1 4.43Å; I38-L286 HydrophobicContact CD1-CD1 4.42Å; I38-L286 HydrophobicContact CD1-CD2 4.08Å; I38-L286 HydrophobicContact CG1-CD1 4.04Å; I38-L286 HydrophobicContact CG1-CD2 4.2Å; I38-L286 HydrophobicContact CG2-CD1 3.68Å; L286-A288 HydrophobicContact CD2-CB 4.14Å
287	T	92.7	Very high	95.7	Very high	103 Å²	103	57.2 Å²	57.2	63%	0.632	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.9	176.7	-55.7	0	0	0	0	108.4
288	A	81.2	Confident	95.6	Very high	102 Å²	102	60.7 Å²	60.7	84%	0.843	39%	0.385	S	S	*	.			trans	-142.4	0	177.4	0	0	0	0	0	110.1	M1 L286	M1-A288 WeakPolarHBondContact CA-O 3.48Å; M1-A288 WeakPolarHBondContact CB-O 3.38Å; M1-A288 PolarHBondContact N-O 2.91Å; M1-A288 PolarHBondContact O-N 2.8Å; L286-A288 HydrophobicContact CD2-CB 4.14Å

Retrieved 288 of 288 residues in 2215.7 ms (Link to these results)

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