ROA1_HUMAN Loading...

Heterogeneous nuclear ribonucleoprotein A1

Involved in the packaging of pre-mRNA into hnRNP particles, transport of poly(A) mRNA from the nucleus to the cytoplasm and modulation of splice site selection¹. Plays a role in the splicing of pyruvate kinase PKM by binding repressively to sequences flanking PKM exon 9, inhibiting exon 9 inclusion and resulting in exon 10 inclusion and production of the PKM M2 isoform². Binds to the IRES and thereby inhibits the translation of the apoptosis protease activating factor APAF1³. May bind to specific miRNA hairpins⁴. (Microbial infection) May play a role in HCV RNA replication. (Microbial infection) Cleavage by Enterovirus 71 protease 3C results in increased translation of apoptosis protease activating factor APAF1, leading to apoptosis.

AlphaFold DB , UniProt , Accession P09651, Species HUMAN (Homo sapiens, Human), Gene HNRNPA1, Length 372 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	38.1	Very low	58	Low	245 Å²	245	132.4 Å²	132.4	100%	1.207	72%	0.72	S	S	*	*				0	111.1	0	-71.4	160.5	174.5	0	0	108	K3	M1-K3 PolarHBondContact O-N 3.28Å
2	S	40.6	Very low	60.5	Low	125 Å²	125	126.2 Å²	126.2	87%	0.874	68%	0.682	S	S	*	*			trans	-77.8	111.3	172	31.2	0	0	0	0	108.9	S4	S2-S4 PolarHBondContact O-N 2.76Å
3	K	43.2	Very low	62.9	Low	205 Å²	205	120.9 Å²	120.9	89%	0.891	65%	0.653	S	S	*	*			trans	-63.4	122.8	165.7	-105	-174.8	172.9	-176.9	0	107.3	M1 E5	M1-K3 PolarHBondContact O-N 3.28Å; K3-E5 PolarHBondContact O-N 2.88Å; K3-E5 VanDerWaalsContact O-N 3.11Å
4	S	41.4	Very low	65.2	Low	115 Å²	115	113.8 Å²	113.8	80%	0.804	61%	0.612	S	S	*	*			trans	-63.9	109.9	171.1	49.3	0	0	0	0	108.5	S2 S6	S2-S4 PolarHBondContact O-N 2.76Å; S4-S6 PolarHBondContact O-N 3.03Å; S4-S6 VanDerWaalsContact O-N 3.09Å
5	E	46	Very low	67.2	Low	143 Å²	143	108 Å²	108	67%	0.668	58%	0.579	S	S	*	*			trans	-76.3	97.7	179.2	-166.7	160.3	-141.4	0	0	108.4	K3 K8	K3-E5 PolarHBondContact O-N 2.88Å; K3-E5 VanDerWaalsContact O-N 3.11Å; E5-K8 HydrophobicContact CG-CD 4.21Å; E5-K8 HydrophobicContact CG-CG 4.33Å; E5-K8 WeakPolarHBondContact OE1-CD 3.48Å; E5-K8 WeakPolarHBondContact OE1-CE 3.38Å; E5-K8 IonicContact OE1-NZ 3.72Å; E5-K8 PolarHBondContact OE1-NZ 3.04Å
6	S	52.3	Low	69.1	Low	89 Å²	89	101.3 Å²	101.3	62%	0.622	54%	0.543	S	S	*	.			trans	-51.5	149.3	167.2	-2.4	0	0	0	0	109.2	S4 K8	S4-S6 PolarHBondContact O-N 3.03Å; S4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 2.68Å
7	P	54.1	Low	70.7	Confident	133 Å²	133	96.9 Å²	96.9	86%	0.864	52%	0.518	S	S	*	.			trans	-58.9	99.7	179.7	25	-34	0	0	0	109.6	E9	P7-E9 PolarHBondContact O-N 3.15Å
8	K	65.7	Low	72.2	Confident	136 Å²	136	91.5 Å²	91.5	59%	0.591	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-62.8	133.1	-170.4	-81.2	177.2	166.9	168.6	0	110.1	E5 S6	E5-K8 HydrophobicContact CG-CD 4.21Å; E5-K8 HydrophobicContact CG-CG 4.33Å; E5-K8 WeakPolarHBondContact OE1-CD 3.48Å; E5-K8 WeakPolarHBondContact OE1-CE 3.38Å; E5-K8 IonicContact OE1-NZ 3.72Å; E5-K8 PolarHBondContact OE1-NZ 3.04Å; S6-K8 PolarHBondContact O-N 2.68Å
9	E	78.4	Confident	73.4	Confident	76 Å²	76	86.9 Å²	86.9	36%	0.355	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-52.4	137.7	172.8	-57.7	170.7	115.9	0	0	109.4	P7 E11 R14 T64 V65	P7-E9 PolarHBondContact O-N 3.15Å; E9-E11 PolarHBondContact O-N 3.46Å; E9-R14 HydrophobicContact CB-CG 4.23Å; E9-R14 PolarHBondContact O-NE 3.17Å; E9-R14 PolarHBondContact O-NH2 3.34Å; E9-T64 VanDerWaalsContact OE2-CA 3.29Å; E9-T64 WeakPolarHBondContact OE2-CA 3.47Å; E9-V65 HydrophobicContact CB-CG2 4.2Å; E9-V65 HydrophobicContact CG-CG2 4.42Å; E9-V65 WeakPolarHBondContact OE1-CB 3.43Å; E9-V65 WeakPolarHBondContact OE1-CG2 3.48Å; E9-V65 PolarHBondContact OE2-N 2.83Å
10	P	88.1	Confident	74.5	Confident	85 Å²	85	83.2 Å²	83.2	55%	0.552	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-49.2	134.5	-179.6	-29.3	34.1	0	0	0	111.7	Q12 L13	P10-Q12 PolarHBondContact O-N 3.15Å; P10-L13 HydrophobicContact CB-CG 4.37Å; P10-L13 HydrophobicContact CG-CD1 4.41Å; P10-L13 PolarHBondContact O-N 3.07Å
11	E	89.5	Confident	75.6	Confident	104 Å²	104	79.4 Å²	79.4	49%	0.486	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-50.2	-38.2	-177.5	-166.8	-163.1	132.5	0	0	111.9	E9 L13 R14 K15 T61	E9-E11 PolarHBondContact O-N 3.46Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.46Å; E11-R14 CarbonylContact O-C 3.46Å; E11-R14 WeakPolarHBondContact O-CA 3.48Å; E11-R14 PolarHBondContact O-N 2.8Å; E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 PolarHBondContact O-N 3.44Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.79Å; E11-T61 HydrophobicContact CG-CG2 3.66Å
12	Q	88.7	Confident	78.3	Confident	58 Å²	58	68.7 Å²	68.7	27%	0.271	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36.4	177	-163.4	65	59.9	0	0	114.4	P10 A89 V90	P10-Q12 PolarHBondContact O-N 3.15Å; Q12-A89 PolarHBondContact NE2-O 3.06Å; Q12-V90 PolarHBondContact NE2-O 2.9Å; Q12-V90 VanDerWaalsContact NE2-O 3.08Å
13	L	91.7	Very high	80.9	Confident	58 Å²	58	69.4 Å²	69.4	30%	0.304	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-75.5	-29.8	177.3	-58.4	-175.9	0	0	0	111.9	P10 E11 V65 I164	P10-L13 HydrophobicContact CB-CG 4.37Å; P10-L13 HydrophobicContact CG-CD1 4.41Å; P10-L13 PolarHBondContact O-N 3.07Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.46Å; L13-V65 HydrophobicContact CB-CG2 3.59Å; L13-I164 HydrophobicContact CD2-CD1 4.17Å; L13-I164 HydrophobicContact CD2-CG2 3.66Å
14	R	94.6	Very high	83.3	Confident	21 Å²	21	67.3 Å²	67.3	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-90.5	-0.4	-177.7	-66.1	-172.9	-72.6	97.6	4.3	113.7	E9 E11 T61 Y62 A63 V65 V68	E9-R14 HydrophobicContact CB-CG 4.23Å; E9-R14 PolarHBondContact O-NE 3.17Å; E9-R14 PolarHBondContact O-NH2 3.34Å; E11-R14 CarbonylContact O-C 3.46Å; E11-R14 WeakPolarHBondContact O-CA 3.48Å; E11-R14 PolarHBondContact O-N 2.8Å; R14-T61 HydrophobicContact CB-CG2 4.3Å; R14-T61 CarbonylContact O-C 3.59Å; R14-T61 WeakPolarHBondContact O-CA 3.2Å; R14-Y62 PolarHBondContact NH1-O 3.39Å; R14-Y62 PolarHBondContact O-N 2.99Å; R14-A63 WeakPolarHBondContact CD-O 3.24Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; R14-V68 WeakPolarHBondContact O-CG2 3.36Å
15	K	95.8	Very high	85.8	Confident	27 Å²	27	61.8 Å²	61.8	12%	0.117	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.8	-173	-161.7	169.8	-153.8	100.1	0	111.1	E11 D42 F59 V60 T61 A89	E11-K15 WeakPolarHBondContact O-CB 3.44Å; E11-K15 PolarHBondContact O-N 3.44Å; E11-K15 IonicContact OE1-NZ 2.82Å; E11-K15 PolarHBondContact OE1-NZ 2.79Å; K15-D42 IonicContact NZ-OD2 2.71Å; K15-D42 PolarHBondContact NZ-OD2 3.23Å; K15-F59 HydrophobicContact CG-CB 4.43Å; K15-F59 HydrophobicContact CG-CD1 4.4Å; K15-V60 CarbonylContact C-O 3.53Å; K15-V60 WeakPolarHBondContact CA-O 3.27Å; K15-T61 HydrophobicContact CB-CG2 4.14Å; K15-T61 WeakPolarHBondContact CE-OG1 3.44Å; K15-T61 HydrophobicContact CG-CG2 4.4Å; K15-T61 WeakPolarHBondContact CG-OG1 3.48Å; K15-T61 PolarHBondContact NZ-OG1 3.04Å; K15-A89 HydrophobicContact CB-CB 3.94Å; K15-A89 HydrophobicContact CG-CB 4.06Å; K15-A89 WeakPolarHBondContact O-CB 3.18Å; K15-A89 PolarHBondContact O-N 3.36Å
16	L	96.9	Very high	88.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.7	169.9	-67.3	-179.6	0	0	0	110.3	I18 F59 V60 Y62 V68 A71 M72 P86 K87 R88	L16-I18 HydrophobicContact CB-CD1 3.76Å; L16-I18 HydrophobicContact CD1-CD1 4.3Å; L16-F59 VanDerWaalsContact O-CA 3.25Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; L16-V60 HydrophobicContact CB-CG2 3.89Å; L16-V60 HydrophobicContact CD1-CG2 4.44Å; L16-V60 PolarHBondContact N-O 3.27Å; L16-V60 PolarHBondContact O-N 3Å; L16-V60 VanDerWaalsContact O-N 3.07Å; L16-Y62 HydrophobicContact CD1-CE2 4.14Å; L16-V68 HydrophobicContact CD1-CG1 4.35Å; L16-V68 HydrophobicContact CD2-CG1 3.55Å; L16-V68 HydrophobicContact CG-CG1 3.92Å; L16-A71 HydrophobicContact CD1-CB 4.17Å; L16-M72 HydrophobicContact CD1-CG 4.35Å; L16-M72 HydrophobicContact CD1-SD 4.06Å; L16-M72 HydrophobicContact CD2-CG 3.9Å; L16-M72 HydrophobicContact CD2-SD 3.6Å; L16-M72 VanDerWaalsContact CD2-SD 3.6Å; L16-P86 HydrophobicContact CD1-CB 4.4Å; L16-K87 CarbonylContact C-O 3.55Å; L16-K87 WeakPolarHBondContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CD2-O 3.28Å; L16-R88 HydrophobicContact CD2-CG 4.19Å
17	F	96.6	Very high	90.3	Very high	27 Å²	27	55.7 Å²	55.7	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.2	158.1	167.4	-90.6	0	0	0	108.1	F57 F59 P86 K87 F315	F17-F57 HydrophobicContact CD2-CD2 4.06Å; F17-F57 HydrophobicContact CE2-CB 3.94Å; F17-F57 AromaticContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CD2 3.43Å; F17-F57 VanDerWaalsContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CZ-CB 3.97Å; F17-F57 HydrophobicContact CZ-CD2 4.27Å; F17-F57 HydrophobicContact CZ-CG 4.24Å; F17-F59 HydrophobicContact CB-CD1 4.15Å; F17-F59 HydrophobicContact CB-CE1 3.91Å; F17-F59 AromaticContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CZ 4.01Å; F17-F59 HydrophobicContact CG-CE1 4.41Å; F17-P86 CarbonylContact O-C 3.55Å; F17-P86 WeakPolarHBondContact O-CA 3.42Å; F17-K87 HydrophobicContact CD1-CB 4.49Å; F17-K87 PolarHBondContact N-O 2.69Å; F17-K87 PolarHBondContact O-N 2.88Å; F17-F315 HydrophobicContact CE2-CE1 4.19Å; F17-F315 HydrophobicContact CE2-CZ 4.39Å; F17-F315 HydrophobicContact CZ-CZ 4.49Å
18	I	97.2	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.1	176.2	-46.1	-58.2	0	0	0	108.7	L16 L21 L30 F34 F57 G58 V60 V84 P86	L16-I18 HydrophobicContact CB-CD1 3.76Å; L16-I18 HydrophobicContact CD1-CD1 4.3Å; I18-L21 HydrophobicContact CB-CD2 4.21Å; I18-L21 HydrophobicContact CG2-CD2 3.5Å; I18-L21 VanDerWaalsContact CG2-CD2 3.5Å; I18-L21 HydrophobicContact CG2-CG 4.42Å; I18-L30 HydrophobicContact CB-CD1 4.5Å; I18-L30 HydrophobicContact CG1-CD1 4.44Å; I18-L30 HydrophobicContact CG2-CD1 4.3Å; I18-F34 HydrophobicContact CD1-CE1 3.98Å; I18-F34 HydrophobicContact CD1-CE2 3.94Å; I18-F34 HydrophobicContact CD1-CZ 3.59Å; I18-F34 HydrophobicContact CG1-CE2 3.94Å; I18-F34 HydrophobicContact CG1-CZ 4.11Å; I18-F34 HydrophobicContact CG2-CE2 3.94Å; I18-F34 HydrophobicContact CG2-CZ 4.07Å; I18-F57 CarbonylContact O-C 3.51Å; I18-F57 WeakPolarHBondContact O-CA 3.15Å; I18-F57 WeakPolarHBondContact O-CB 3.21Å; I18-G58 PolarHBondContact N-O 3.37Å; I18-G58 PolarHBondContact O-N 3.36Å; I18-V60 HydrophobicContact CD1-CG2 4.01Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.11Å; I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.46Å; I18-V84 HydrophobicContact CG2-CG2 3.83Å; I18-P86 HydrophobicContact CD1-CB 3.79Å; I18-P86 HydrophobicContact CD1-CG 4.36Å
19	G	96	Very high	93.8	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154	177.9	0	0	0	0	0	113.2	V84 E85	G19-V84 WeakPolarHBondContact O-CA 3.18Å; G19-V84 WeakPolarHBondContact O-CB 3.44Å; G19-E85 PolarHBondContact N-O 3.42Å; G19-E85 PolarHBondContact O-N 3.14Å
20	G	94.8	Very high	94.7	Very high	12 Å²	12	46.7 Å²	46.7	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	76.3	22	170	0	0	0	0	0	115.7	G56 R82	G20-G56 CarbonylContact C-O 3.59Å; G20-G56 WeakPolarHBondContact CA-O 3.3Å; G20-G56 PolarHBondContact N-O 3.37Å; G20-R82 WeakPolarHBondContact O-CD 3.46Å; G20-R82 PolarHBondContact O-NE 3.26Å
21	L	96.7	Very high	95.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.226	C	C	.	.			trans	-54.6	160.5	174.6	-59.6	-175.9	0	0	0	112.6	I18 T25 L30 V45 G56 F57 V84	I18-L21 HydrophobicContact CB-CD2 4.21Å; I18-L21 HydrophobicContact CG2-CD2 3.5Å; I18-L21 VanDerWaalsContact CG2-CD2 3.5Å; I18-L21 HydrophobicContact CG2-CG 4.42Å; L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.08Å; L21-T25 HydrophobicContact CD2-CG2 4.36Å; L21-L30 HydrophobicContact CD1-CD1 4.33Å; L21-L30 HydrophobicContact CD1-CD2 4.19Å; L21-L30 HydrophobicContact CD2-CD1 3.74Å; L21-V45 HydrophobicContact CD1-CG1 4.08Å; L21-V45 HydrophobicContact CD1-CG2 4.05Å; L21-G56 PolarHBondContact N-O 3.39Å; L21-F57 VanDerWaalsContact CD1-C 3.46Å; L21-V84 HydrophobicContact CD2-CB 4.42Å; L21-V84 HydrophobicContact CD2-CG1 3.75Å
22	S	95.5	Very high	95.5	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.133	23%	0.23	C	C	.	.			trans	-66	154	166	-171.8	0	0	0	0	109.9	E24 T25 S54	S22-E24 PolarHBondContact O-N 2.91Å; S22-E24 PolarHBondContact OG-N 3.39Å; S22-T25 WeakPolarHBondContact CB-OG1 3.4Å; S22-T25 PolarHBondContact N-OG1 2.82Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.43Å; S22-S54 PolarHBondContact O-OG 2.62Å
23	F	94.5	Very high	95.9	Very high	140 Å²	140	45 Å²	45	61%	0.614	23%	0.229	S	C	*	.	S	Bend	trans	-68.8	-18.6	169.3	-64.6	-50.4	0	0	0	112.2	S54	F23-S54 WeakPolarHBondContact CD1-O 3.47Å; F23-S54 WeakPolarHBondContact O-CB 3.49Å
24	E	93.8	Very high	96.1	Very high	161 Å²	161	42.3 Å²	42.3	75%	0.752	22%	0.215	S	C	*	.	S	Bend	trans	-86.5	-17.3	177.2	-62.9	169	160.8	0	0	112.7	S22 T26	S22-E24 PolarHBondContact O-N 2.91Å; S22-E24 PolarHBondContact OG-N 3.39Å; E24-T26 WeakPolarHBondContact O-CG2 3.24Å; E24-T26 PolarHBondContact O-N 3.44Å
25	T	95.5	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.			trans	-57.5	134.8	-178.4	-63.3	0	0	0	0	111.5	L21 S22 L30 V45 R47 V79 D80	L21-T25 HydrophobicContact CB-CG2 4.38Å; L21-T25 HydrophobicContact CD1-CG2 4.08Å; L21-T25 HydrophobicContact CD2-CG2 4.36Å; S22-T25 WeakPolarHBondContact CB-OG1 3.4Å; S22-T25 PolarHBondContact N-OG1 2.82Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.43Å; T25-L30 HydrophobicContact CG2-CB 4.06Å; T25-V45 HydrophobicContact CG2-CG2 3.95Å; T25-R47 PolarHBondContact O-NH2 2.87Å; T25-V79 HydrophobicContact CG2-CG1 4.06Å; T25-D80 WeakPolarHBondContact CA-OD2 3.44Å; T25-D80 WeakPolarHBondContact CB-OD2 3.21Å; T25-D80 VanDerWaalsContact CG2-OD2 3.3Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.3Å; T25-D80 PolarHBondContact OG1-OD2 2.75Å
26	T	95.9	Very high	96.3	Very high	50 Å²	50	50 Å²	50	31%	0.307	25%	0.252	S	S	.	.			trans	-111.5	168.4	179.8	82.7	0	0	0	0	111.4	E24 E28 S29 L30 V45	E24-T26 WeakPolarHBondContact O-CG2 3.24Å; E24-T26 PolarHBondContact O-N 3.44Å; T26-E28 WeakPolarHBondContact CB-OE2 3.23Å; T26-E28 PolarHBondContact O-N 3.1Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 2.81Å; T26-S29 PolarHBondContact N-OG 3.17Å; T26-S29 PolarHBondContact O-N 2.76Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.33Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-V45 WeakPolarHBondContact O-CG2 3.44Å
27	D	95.9	Very high	96.3	Very high	54 Å²	54	53 Å²	53	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-28.8	-179.9	-55.8	-9.7	0	0	0	109.6	R31 C43 V45 R47	D27-R31 WeakPolarHBondContact O-CB 3.33Å; D27-R31 PolarHBondContact O-N 2.88Å; D27-C43 PolarHBondContact O-SG 3.42Å; D27-V45 WeakPolarHBondContact OD1-CB 3.43Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.23Å; D27-V45 PolarHBondContact OD1-N 3.36Å; D27-R47 IonicContact OD1-NH2 3.91Å
28	E	96.3	Very high	96.3	Very high	128 Å²	128	52.5 Å²	52.5	60%	0.598	27%	0.265	S	S	*	.	H	α-helix	trans	-76	-43.7	174.1	-51	77.6	-171.1	0	0	113.1	T26 R31 S32	T26-E28 WeakPolarHBondContact CB-OE2 3.23Å; T26-E28 PolarHBondContact O-N 3.1Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 2.81Å; E28-R31 PolarHBondContact O-N 2.78Å; E28-S32 VanDerWaalsContact O-CB 3.22Å; E28-S32 WeakPolarHBondContact O-CB 3.39Å; E28-S32 PolarHBondContact O-N 3.44Å
29	S	96.3	Very high	96.3	Very high	27 Å²	27	56.9 Å²	56.9	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-39.1	177.7	71.9	0	0	0	0	111.6	T26 H33 D80	T26-S29 PolarHBondContact N-OG 3.17Å; T26-S29 PolarHBondContact O-N 2.76Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; S29-H33 PolarHBondContact O-N 2.83Å; S29-H33 VanDerWaalsContact O-N 3.1Å; S29-D80 WeakPolarHBondContact CB-OD1 3.43Å; S29-D80 PolarHBondContact OG-OD1 3.33Å; S29-D80 PolarHBondContact OG-OD2 3.26Å
30	L	97.1	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-44.6	172.2	-172.7	66	0	0	0	111.3	I18 L21 T25 T26 H33 F34 V45 V60 V79	I18-L30 HydrophobicContact CB-CD1 4.5Å; I18-L30 HydrophobicContact CG1-CD1 4.44Å; I18-L30 HydrophobicContact CG2-CD1 4.3Å; L21-L30 HydrophobicContact CD1-CD1 4.33Å; L21-L30 HydrophobicContact CD1-CD2 4.19Å; L21-L30 HydrophobicContact CD2-CD1 3.74Å; T25-L30 HydrophobicContact CG2-CB 4.06Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.33Å; T26-L30 PolarHBondContact O-N 3.44Å; L30-H33 PolarHBondContact O-N 2.79Å; L30-F34 HydrophobicContact CD1-CD2 3.68Å; L30-F34 HydrophobicContact CD1-CE2 3.64Å; L30-F34 HydrophobicContact CG-CD2 4.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.16Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-F34 VanDerWaalsContact O-N 3.08Å; L30-V45 HydrophobicContact CB-CG2 4.26Å; L30-V45 HydrophobicContact CD2-CG2 3.98Å; L30-V60 HydrophobicContact CD1-CG1 4.48Å; L30-V60 HydrophobicContact CD2-CG1 3.91Å; L30-V60 HydrophobicContact CG-CG1 3.86Å; L30-V79 HydrophobicContact CD1-CG1 4.46Å
31	R	97.6	Very high	96.3	Very high	78 Å²	78	60.3 Å²	60.3	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-53.2	176.7	174.2	176.4	-72.1	-85	-0.5	111.7	D27 E28 H33 F34 E35 L40 C43	D27-R31 WeakPolarHBondContact O-CB 3.33Å; D27-R31 PolarHBondContact O-N 2.88Å; E28-R31 PolarHBondContact O-N 2.78Å; R31-H33 PolarHBondContact O-N 3.07Å; R31-F34 PolarHBondContact O-N 3.3Å; R31-F34 VanDerWaalsContact O-N 3.13Å; R31-E35 VanDerWaalsContact CD-OE1 3.28Å; R31-E35 WeakPolarHBondContact CD-OE1 3.39Å; R31-E35 HydrophobicContact CG-CG 3.92Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 WeakPolarHBondContact CG-OE2 3.39Å; R31-E35 IonicContact CZ-OE1 3.65Å; R31-E35 IonicContact NE-OE1 3.88Å; R31-E35 IonicContact NH1-OE1 2.69Å; R31-E35 PolarHBondContact NH1-OE1 3.04Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 WeakPolarHBondContact O-CG 3.44Å; R31-E35 PolarHBondContact O-N 2.89Å; R31-L40 HydrophobicContact CB-CD1 4.49Å; R31-L40 HydrophobicContact CG-CD1 4.36Å; R31-L40 PolarHBondContact NH1-O 2.86Å; R31-C43 HydrophobicContact CB-CB 4.21Å
32	S	96.8	Very high	96.3	Very high	82 Å²	82	62.4 Å²	62.4	57%	0.573	32%	0.321	S	S	*	.	H	α-helix	trans	-60.1	-29.1	-178.4	-175.3	0	0	0	0	113.1	E28 Q36	E28-S32 VanDerWaalsContact O-CB 3.22Å; E28-S32 WeakPolarHBondContact O-CB 3.39Å; E28-S32 PolarHBondContact O-N 3.44Å; S32-Q36 PolarHBondContact O-NE2 3.26Å
33	H	97.5	Very high	96.4	Very high	53 Å²	53	62.1 Å²	62.1	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-72	-56.7	169.9	-167.3	80.9	0	0	0	111.9	S29 L30 R31 E35 Q36 W37 H77 K78 V79	S29-H33 PolarHBondContact O-N 2.83Å; S29-H33 VanDerWaalsContact O-N 3.1Å; L30-H33 PolarHBondContact O-N 2.79Å; R31-H33 PolarHBondContact O-N 3.07Å; H33-E35 PolarHBondContact O-N 3.15Å; H33-Q36 WeakPolarHBondContact O-CB 3.24Å; H33-Q36 VanDerWaalsContact O-CG 3.22Å; H33-Q36 WeakPolarHBondContact O-CG 3.33Å; H33-Q36 PolarHBondContact O-N 3.33Å; H33-Q36 PolarHBondContact O-NE2 3.04Å; H33-W37 AromaticContact CD2-CZ3 3.73Å; H33-W37 WeakPolarHBondContact O-CZ3 3.42Å; H33-H77 AromaticContact CD2-ND1 3.97Å; H33-K78 PolarHBondContact NE2-O 2.85Å; H33-V79 HydrophobicContact CB-CG1 4.48Å; H33-V79 HydrophobicContact CB-CG2 4.26Å
34	F	97.5	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-77.4	-19	-170.2	-80.6	-75.2	0	0	0	114.7	I18 L30 R31 Q36 W37 L40 V60 Y62 H77 V79 V84 P86	I18-F34 HydrophobicContact CD1-CE1 3.98Å; I18-F34 HydrophobicContact CD1-CE2 3.94Å; I18-F34 HydrophobicContact CD1-CZ 3.59Å; I18-F34 HydrophobicContact CG1-CE2 3.94Å; I18-F34 HydrophobicContact CG1-CZ 4.11Å; I18-F34 HydrophobicContact CG2-CE2 3.94Å; I18-F34 HydrophobicContact CG2-CZ 4.07Å; L30-F34 HydrophobicContact CD1-CD2 3.68Å; L30-F34 HydrophobicContact CD1-CE2 3.64Å; L30-F34 HydrophobicContact CG-CD2 4.26Å; L30-F34 WeakPolarHBondContact O-CD2 3.16Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-F34 VanDerWaalsContact O-N 3.08Å; R31-F34 PolarHBondContact O-N 3.3Å; R31-F34 VanDerWaalsContact O-N 3.13Å; F34-Q36 PolarHBondContact O-N 3.1Å; F34-Q36 VanDerWaalsContact O-N 3.12Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.1Å; F34-W37 HydrophobicContact CE1-CZ3 4.49Å; F34-W37 PolarHBondContact O-N 2.83Å; F34-L40 HydrophobicContact CB-CD1 3.85Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CB-CG2 4.38Å; F34-V60 HydrophobicContact CD1-CG2 4.45Å; F34-V60 HydrophobicContact CD2-CG1 4.13Å; F34-V60 HydrophobicContact CG-CG1 4.32Å; F34-V60 HydrophobicContact CG-CG2 4.21Å; F34-Y62 WeakPolarHBondContact CB-OH 3.18Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.49Å; F34-Y62 WeakPolarHBondContact O-CE1 3.35Å; F34-Y62 PolarHBondContact O-OH 2.87Å; F34-H77 AromaticContact CE1-CG 3.94Å; F34-H77 AromaticContact CE1-ND1 3.58Å; F34-H77 HydrophobicContact CZ-CB 4.24Å; F34-V79 HydrophobicContact CE2-CG2 3.98Å; F34-V84 HydrophobicContact CZ-CG2 4.3Å; F34-P86 HydrophobicContact CE1-CG 4.49Å; F34-P86 HydrophobicContact CZ-CG 4.33Å
35	E	96.8	Very high	96.6	Very high	86 Å²	86	50 Å²	50	40%	0.402	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.1	-11.5	171.5	-78.6	178.3	168.3	0	0	113.8	R31 H33 W37 G38 L40	R31-E35 VanDerWaalsContact CD-OE1 3.28Å; R31-E35 WeakPolarHBondContact CD-OE1 3.39Å; R31-E35 HydrophobicContact CG-CG 3.92Å; R31-E35 WeakPolarHBondContact CG-OE1 3.43Å; R31-E35 WeakPolarHBondContact CG-OE2 3.39Å; R31-E35 IonicContact CZ-OE1 3.65Å; R31-E35 IonicContact NE-OE1 3.88Å; R31-E35 IonicContact NH1-OE1 2.69Å; R31-E35 PolarHBondContact NH1-OE1 3.04Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 WeakPolarHBondContact O-CG 3.44Å; R31-E35 PolarHBondContact O-N 2.89Å; H33-E35 PolarHBondContact O-N 3.15Å; E35-W37 PolarHBondContact O-N 3.48Å; E35-G38 WeakPolarHBondContact CA-O 3.39Å; E35-G38 PolarHBondContact O-N 3.46Å; E35-L40 HydrophobicContact CG-CB 3.91Å; E35-L40 HydrophobicContact CG-CD1 4.01Å; E35-L40 HydrophobicContact CG-CG 3.81Å
36	Q	96.9	Very high	96.7	Very high	123 Å²	123	51.6 Å²	51.6	58%	0.575	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.2	173.3	-65.2	172.1	34.4	0	0	113.8	S32 H33 F34	S32-Q36 PolarHBondContact O-NE2 3.26Å; H33-Q36 WeakPolarHBondContact O-CB 3.24Å; H33-Q36 VanDerWaalsContact O-CG 3.22Å; H33-Q36 WeakPolarHBondContact O-CG 3.33Å; H33-Q36 PolarHBondContact O-N 3.33Å; H33-Q36 PolarHBondContact O-NE2 3.04Å; F34-Q36 PolarHBondContact O-N 3.1Å; F34-Q36 VanDerWaalsContact O-N 3.12Å
37	W	97.4	Very high	96.6	Very high	65 Å²	65	52.9 Å²	52.9	25%	0.246	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-113.6	-0.2	-179.6	-60.4	-79.1	0	0	0	114.3	H33 F34 E35 A70 A71 A74 H77	H33-W37 AromaticContact CD2-CZ3 3.73Å; H33-W37 WeakPolarHBondContact O-CZ3 3.42Å; F34-W37 HydrophobicContact CD1-CE3 4.08Å; F34-W37 HydrophobicContact CD1-CZ3 4.1Å; F34-W37 HydrophobicContact CE1-CZ3 4.49Å; F34-W37 PolarHBondContact O-N 2.83Å; E35-W37 PolarHBondContact O-N 3.48Å; W37-A70 HydrophobicContact CB-CB 4.34Å; W37-A71 HydrophobicContact CB-CB 3.93Å; W37-A71 HydrophobicContact CD2-CB 4.45Å; W37-A71 HydrophobicContact CG-CB 4.17Å; W37-A74 HydrophobicContact CD2-CB 4.41Å; W37-A74 HydrophobicContact CZ2-CB 3.81Å; W37-H77 AromaticContact CD2-CE1 2.98Å; W37-H77 AromaticContact CE2-CE1 3.02Å; W37-H77 AromaticContact CE3-CE1 2.85Å; W37-H77 AromaticContact CG-CE1 3.95Å; W37-H77 AromaticContact CH2-CE1 2.93Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.49Å; W37-H77 AromaticContact CH2-ND1 3.2Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.4Å; W37-H77 AromaticContact CZ2-CE1 3.02Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.08Å; W37-H77 AromaticContact CZ2-ND1 3.88Å; W37-H77 AromaticContact CZ3-CE1 2.83Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.25Å; W37-H77 AromaticContact CZ3-ND1 3.33Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.33Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.48Å; W37-H77 AromaticContact NE1-CE1 3.9Å
38	G	95.8	Very high	96.4	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	27%	0.273	C	S	.	.	S	Bend	trans	158.8	177.5	-178.9	0	0	0	0	0	115.4	E35 L40 E67	E35-G38 WeakPolarHBondContact CA-O 3.39Å; E35-G38 PolarHBondContact O-N 3.46Å; G38-L40 PolarHBondContact O-N 3.26Å; G38-E67 VanDerWaalsContact CA-CD 3.46Å; G38-E67 VanDerWaalsContact CA-OE1 3.23Å; G38-E67 WeakPolarHBondContact CA-OE1 3.33Å
39	T	96.6	Very high	96.2	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.564	27%	0.269	S	S	*	.			trans	-82.7	107.4	-173.3	-49.9	0	0	0	0	111.5	T41 Y62 A63 E67	T39-T41 PolarHBondContact O-N 3.15Å; T39-T41 VanDerWaalsContact O-N 3.16Å; T39-Y62 CarbonylContact O-C 3.49Å; T39-A63 PolarHBondContact O-N 2.85Å; T39-E67 VanDerWaalsContact N-CD 3.28Å; T39-E67 PolarHBondContact N-OE1 2.81Å; T39-E67 PolarHBondContact N-OE2 2.93Å; T39-E67 PolarHBondContact OG1-OE1 3.13Å
40	L	96.5	Very high	96.1	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.042	30%	0.295	C	S	.	.			trans	-77	104.5	179	-71.3	-170.6	0	0	0	113.2	R31 F34 E35 G38 D42 C43 V60 T61 Y62	R31-L40 HydrophobicContact CB-CD1 4.49Å; R31-L40 HydrophobicContact CG-CD1 4.36Å; R31-L40 PolarHBondContact NH1-O 2.86Å; F34-L40 HydrophobicContact CB-CD1 3.85Å; E35-L40 HydrophobicContact CG-CB 3.91Å; E35-L40 HydrophobicContact CG-CD1 4.01Å; E35-L40 HydrophobicContact CG-CG 3.81Å; G38-L40 PolarHBondContact O-N 3.26Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-C43 HydrophobicContact CD1-CB 4.28Å; L40-V60 HydrophobicContact CD1-CB 4.02Å; L40-V60 HydrophobicContact CD1-CG1 4.06Å; L40-V60 HydrophobicContact CD2-CB 3.83Å; L40-V60 HydrophobicContact CD2-CG2 4.35Å; L40-T61 CarbonylContact C-O 3.58Å; L40-T61 WeakPolarHBondContact CA-O 3.45Å; L40-Y62 HydrophobicContact CD2-CD1 3.61Å; L40-Y62 HydrophobicContact CD2-CD2 4Å; L40-Y62 HydrophobicContact CD2-CE1 3.56Å; L40-Y62 HydrophobicContact CD2-CE2 3.99Å; L40-Y62 HydrophobicContact CD2-CG 3.85Å; L40-Y62 HydrophobicContact CG-CE1 4.27Å
41	T	96.2	Very high	95.9	Very high	81 Å²	81	60.2 Å²	60.2	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-68.8	-29	172.5	62.5	0	0	0	0	113.4	T39 T61 Y62 A63	T39-T41 PolarHBondContact O-N 3.15Å; T39-T41 VanDerWaalsContact O-N 3.16Å; T41-T61 PolarHBondContact N-O 3.35Å; T41-T61 PolarHBondContact OG1-O 2.82Å; T41-Y62 PolarHBondContact OG1-O 2.88Å; T41-A63 HydrophobicContact CG2-CB 4.04Å
42	D	95.8	Very high	95.6	Very high	49 Å²	49	63.1 Å²	63.1	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.8	176.1	173.1	42.5	0	0	0	110.1	K15 L40 T61	K15-D42 IonicContact NZ-OD2 2.71Å; K15-D42 PolarHBondContact NZ-OD2 3.23Å; L40-D42 VanDerWaalsContact C-N 3.34Å; D42-T61 PolarHBondContact N-O 3.04Å; D42-T61 PolarHBondContact O-N 3.41Å
43	C	96.8	Very high	95.3	Very high	13 Å²	13	67.7 Å²	67.7	9%	0.088	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	126.7	180	-176.6	0	0	0	0	109.3	D27 R31 L40 F59	D27-C43 PolarHBondContact O-SG 3.42Å; R31-C43 HydrophobicContact CB-CB 4.21Å; L40-C43 HydrophobicContact CD1-CB 4.28Å; C43-F59 WeakPolarHBondContact CA-O 3.48Å
44	V	96.8	Very high	95.1	Very high	43 Å²	43	65.3 Å²	65.3	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	128.6	-178.5	57.4	0	0	0	0	112.2	M46 G58 F59	V44-M46 HydrophobicContact CG1-SD 4.4Å; V44-M46 HydrophobicContact CG2-SD 4.18Å; V44-G58 CarbonylContact O-C 3.59Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å; V44-F59 HydrophobicContact CG1-CB 4.25Å; V44-F59 PolarHBondContact N-O 2.9Å; V44-F59 PolarHBondContact O-N 3.16Å
45	V	97.2	Very high	95	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.024	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.6	164.8	-180	0	0	0	0	108.4	L21 T25 T26 D27 L30 R47	L21-V45 HydrophobicContact CD1-CG1 4.08Å; L21-V45 HydrophobicContact CD1-CG2 4.05Å; T25-V45 HydrophobicContact CG2-CG2 3.95Å; T26-V45 WeakPolarHBondContact O-CG2 3.44Å; D27-V45 WeakPolarHBondContact OD1-CB 3.43Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.23Å; D27-V45 PolarHBondContact OD1-N 3.36Å; L30-V45 HydrophobicContact CB-CG2 4.26Å; L30-V45 HydrophobicContact CD2-CG2 3.98Å; V45-R47 PolarHBondContact O-N 3.19Å
46	M	96	Very high	94.9	Very high	32 Å²	32	65.4 Å²	65.4	16%	0.158	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.6	179.1	-67.3	-51.1	-51.4	0	0	110	V44 R55 F57 F59 Y318	V44-M46 HydrophobicContact CG1-SD 4.4Å; V44-M46 HydrophobicContact CG2-SD 4.18Å; M46-R55 VanDerWaalsContact O-CB 3.29Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 WeakPolarHBondContact O-CG 3.41Å; M46-R55 PolarHBondContact O-N 3.32Å; M46-F57 HydrophobicContact CB-CD2 4.13Å; M46-F57 HydrophobicContact CB-CE1 4.2Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CZ 3.67Å; M46-F57 HydrophobicContact CG-CD2 3.99Å; M46-F57 HydrophobicContact CG-CE2 3.37Å; M46-F57 HydrophobicContact CG-CZ 3.82Å; M46-F57 PolarHBondContact N-O 2.98Å; M46-F59 HydrophobicContact CG-CD2 4.22Å; M46-F59 HydrophobicContact CG-CE2 4.13Å; M46-F59 HydrophobicContact SD-CD2 4.42Å; M46-Y318 HydrophobicContact CE-CD1 4.45Å; M46-Y318 HydrophobicContact CE-CE1 3.85Å; M46-Y318 HydrophobicContact SD-CE1 4.21Å
47	R	95.5	Very high	94.8	Very high	78 Å²	78	60.6 Å²	60.6	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153	179	-66.4	170.9	-166.1	-70.8	-18.4	110.8	T25 D27 V45 K52 R53	T25-R47 PolarHBondContact O-NH2 2.87Å; D27-R47 IonicContact OD1-NH2 3.91Å; V45-R47 PolarHBondContact O-N 3.19Å; R47-K52 WeakPolarHBondContact CD-O 3.17Å; R47-R53 CarbonylContact C-O 3.52Å; R47-R53 VanDerWaalsContact CA-O 3.28Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å
48	D	91.6	Very high	94.8	Very high	48 Å²	48	57.5 Å²	57.5	26%	0.257	30%	0.297	S	S	.	.			trans	-66.4	129.9	168.6	169.9	-99.4	0	0	0	109.6	N50 T51 K52 R53	D48-N50 PolarHBondContact O-N 3.22Å; D48-N50 PolarHBondContact OD1-N 3.18Å; D48-N50 VanDerWaalsContact OD1-N 3.14Å; D48-T51 WeakPolarHBondContact CB-OG1 3.43Å; D48-T51 WeakPolarHBondContact OD1-CB 3.11Å; D48-T51 WeakPolarHBondContact OD1-CG2 3.3Å; D48-T51 PolarHBondContact OD1-N 3.35Å; D48-T51 PolarHBondContact OD1-OG1 2.94Å; D48-K52 VanDerWaalsContact O-CA 3.27Å; D48-K52 WeakPolarHBondContact O-CA 3.25Å; D48-K52 PolarHBondContact O-N 3.23Å; D48-R53 PolarHBondContact N-O 3.26Å
49	P	92.3	Very high	94.9	Very high	81 Å²	81	58.5 Å²	58.5	53%	0.526	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.1	-171.7	25	-35.3	0	0	0	113.6	K52	P49-K52 WeakPolarHBondContact O-CE 3.43Å; P49-K52 PolarHBondContact O-NZ 3.46Å
50	N	93.4	Very high	94.9	Very high	136 Å²	136	54.1 Å²	54.1	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-52.1	-175.2	-54	-59.1	0	0	0	111.5	D48	D48-N50 PolarHBondContact O-N 3.22Å; D48-N50 PolarHBondContact OD1-N 3.18Å; D48-N50 VanDerWaalsContact OD1-N 3.14Å
51	T	93.6	Very high	95	Very high	97 Å²	97	53.8 Å²	53.8	60%	0.595	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.5	-173.7	64.2	0	0	0	0	114	D48 R53	D48-T51 WeakPolarHBondContact CB-OG1 3.43Å; D48-T51 WeakPolarHBondContact OD1-CB 3.11Å; D48-T51 WeakPolarHBondContact OD1-CG2 3.3Å; D48-T51 PolarHBondContact OD1-N 3.35Å; D48-T51 PolarHBondContact OD1-OG1 2.94Å; T51-R53 PolarHBondContact O-N 3.33Å
52	K	90.7	Very high	95	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	25%	0.245	S	C	*	.			trans	59.1	5.3	-174.8	-48	-52.7	-174.4	-169.8	0	115.6	R47 D48 P49	R47-K52 WeakPolarHBondContact CD-O 3.17Å; D48-K52 VanDerWaalsContact O-CA 3.27Å; D48-K52 WeakPolarHBondContact O-CA 3.25Å; D48-K52 PolarHBondContact O-N 3.23Å; P49-K52 WeakPolarHBondContact O-CE 3.43Å; P49-K52 PolarHBondContact O-NZ 3.46Å
53	R	90.7	Very high	95	Very high	178 Å²	178	49.4 Å²	49.4	67%	0.672	25%	0.247	S	C	*	.			trans	-64.4	139.9	173.5	-171.8	178.9	-69.8	-172	-2.1	109.8	R47 D48 T51	R47-R53 CarbonylContact C-O 3.52Å; R47-R53 VanDerWaalsContact CA-O 3.28Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å; D48-R53 PolarHBondContact N-O 3.26Å; T51-R53 PolarHBondContact O-N 3.33Å
54	S	93.3	Very high	94.9	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	138.1	170.4	166.8	0	0	0	0	110.7	S22 F23 G56	S22-S54 PolarHBondContact O-OG 2.62Å; F23-S54 WeakPolarHBondContact CD1-O 3.47Å; F23-S54 WeakPolarHBondContact O-CB 3.49Å; S54-G56 PolarHBondContact O-N 2.93Å; S54-G56 PolarHBondContact OG-N 2.77Å
55	R	94.1	Very high	94.8	Very high	79 Å²	79	50.1 Å²	50.1	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	4.9	172.7	-62.7	176.8	66.5	-167.7	-2.1	112.3	M46 F57 D314	M46-R55 VanDerWaalsContact O-CB 3.29Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 WeakPolarHBondContact O-CG 3.41Å; M46-R55 PolarHBondContact O-N 3.32Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 HydrophobicContact CB-CD1 3.85Å; R55-F57 HydrophobicContact CB-CE1 3.63Å; R55-D314 PolarHBondContact NH2-O 3.02Å; R55-D314 VanDerWaalsContact NH2-O 3.11Å
56	G	94.8	Very high	94.6	Very high	8 Å²	8	57.3 Å²	57.3	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	16.9	-179.3	0	0	0	0	0	114.3	G20 L21 S54	G20-G56 CarbonylContact C-O 3.59Å; G20-G56 WeakPolarHBondContact CA-O 3.3Å; G20-G56 PolarHBondContact N-O 3.37Å; L21-G56 PolarHBondContact N-O 3.39Å; S54-G56 PolarHBondContact O-N 2.93Å; S54-G56 PolarHBondContact OG-N 2.77Å
57	F	96.3	Very high	94.7	Very high	22 Å²	22	57.4 Å²	57.4	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.8	174.9	76.2	-89.7	0	0	0	111.6	F17 I18 L21 M46 R55 F59 Y318	F17-F57 HydrophobicContact CD2-CD2 4.06Å; F17-F57 HydrophobicContact CE2-CB 3.94Å; F17-F57 AromaticContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CD2 3.43Å; F17-F57 VanDerWaalsContact CE2-CD2 3.43Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CE2-CG 3.83Å; F17-F57 HydrophobicContact CZ-CB 3.97Å; F17-F57 HydrophobicContact CZ-CD2 4.27Å; F17-F57 HydrophobicContact CZ-CG 4.24Å; I18-F57 CarbonylContact O-C 3.51Å; I18-F57 WeakPolarHBondContact O-CA 3.15Å; I18-F57 WeakPolarHBondContact O-CB 3.21Å; L21-F57 VanDerWaalsContact CD1-C 3.46Å; M46-F57 HydrophobicContact CB-CD2 4.13Å; M46-F57 HydrophobicContact CB-CE1 4.2Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CZ 3.67Å; M46-F57 HydrophobicContact CG-CD2 3.99Å; M46-F57 HydrophobicContact CG-CE2 3.37Å; M46-F57 HydrophobicContact CG-CZ 3.82Å; M46-F57 PolarHBondContact N-O 2.98Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 HydrophobicContact CB-CD1 3.85Å; R55-F57 HydrophobicContact CB-CE1 3.63Å; F57-F59 HydrophobicContact CE2-CE2 4.07Å; F57-Y318 WeakPolarHBondContact CE2-OH 3.4Å; F57-Y318 VanDerWaalsContact CZ-OH 3.25Å; F57-Y318 WeakPolarHBondContact CZ-OH 2.98Å
58	G	96.9	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-172.9	178.5	0	0	0	0	0	112.7	I18 V44	I18-G58 PolarHBondContact N-O 3.37Å; I18-G58 PolarHBondContact O-N 3.36Å; V44-G58 CarbonylContact O-C 3.59Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å
59	F	97.5	Very high	94.9	Very high	36 Å²	36	53.7 Å²	53.7	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.7	173	-62.6	-87.6	0	0	0	110.9	K15 L16 F17 C43 V44 M46 F57 A89 Y318	K15-F59 HydrophobicContact CG-CB 4.43Å; K15-F59 HydrophobicContact CG-CD1 4.4Å; L16-F59 VanDerWaalsContact O-CA 3.25Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; F17-F59 HydrophobicContact CB-CD1 4.15Å; F17-F59 HydrophobicContact CB-CE1 3.91Å; F17-F59 AromaticContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CE1 3.89Å; F17-F59 HydrophobicContact CD2-CZ 4.01Å; F17-F59 HydrophobicContact CG-CE1 4.41Å; C43-F59 WeakPolarHBondContact CA-O 3.48Å; V44-F59 HydrophobicContact CG1-CB 4.25Å; V44-F59 PolarHBondContact N-O 2.9Å; V44-F59 PolarHBondContact O-N 3.16Å; M46-F59 HydrophobicContact CG-CD2 4.22Å; M46-F59 HydrophobicContact CG-CE2 4.13Å; M46-F59 HydrophobicContact SD-CD2 4.42Å; F57-F59 HydrophobicContact CE2-CE2 4.07Å; F59-A89 HydrophobicContact CD1-CB 4.42Å; F59-A89 HydrophobicContact CE1-CB 4.37Å; F59-Y318 HydrophobicContact CE2-CE1 4.37Å
60	V	97.6	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.3	169.7	-58.9	0	0	0	0	109.2	K15 L16 I18 L30 F34 L40 Y62	K15-V60 CarbonylContact C-O 3.53Å; K15-V60 WeakPolarHBondContact CA-O 3.27Å; L16-V60 HydrophobicContact CB-CG2 3.89Å; L16-V60 HydrophobicContact CD1-CG2 4.44Å; L16-V60 PolarHBondContact N-O 3.27Å; L16-V60 PolarHBondContact O-N 3Å; L16-V60 VanDerWaalsContact O-N 3.07Å; I18-V60 HydrophobicContact CD1-CG2 4.01Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.11Å; L30-V60 HydrophobicContact CD1-CG1 4.48Å; L30-V60 HydrophobicContact CD2-CG1 3.91Å; L30-V60 HydrophobicContact CG-CG1 3.86Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CB-CG2 4.38Å; F34-V60 HydrophobicContact CD1-CG2 4.45Å; F34-V60 HydrophobicContact CD2-CG1 4.13Å; F34-V60 HydrophobicContact CG-CG1 4.32Å; F34-V60 HydrophobicContact CG-CG2 4.21Å; L40-V60 HydrophobicContact CD1-CB 4.02Å; L40-V60 HydrophobicContact CD1-CG1 4.06Å; L40-V60 HydrophobicContact CD2-CB 3.83Å; L40-V60 HydrophobicContact CD2-CG2 4.35Å; V60-Y62 HydrophobicContact CG2-CE2 4.13Å
61	T	97.2	Very high	95.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	112.4	-176.9	-41.8	0	0	0	0	110.9	E11 R14 K15 L40 T41 D42	E11-T61 HydrophobicContact CG-CG2 3.66Å; R14-T61 HydrophobicContact CB-CG2 4.3Å; R14-T61 CarbonylContact O-C 3.59Å; R14-T61 WeakPolarHBondContact O-CA 3.2Å; K15-T61 HydrophobicContact CB-CG2 4.14Å; K15-T61 WeakPolarHBondContact CE-OG1 3.44Å; K15-T61 HydrophobicContact CG-CG2 4.4Å; K15-T61 WeakPolarHBondContact CG-OG1 3.48Å; K15-T61 PolarHBondContact NZ-OG1 3.04Å; L40-T61 CarbonylContact C-O 3.58Å; L40-T61 WeakPolarHBondContact CA-O 3.45Å; T41-T61 PolarHBondContact N-O 3.35Å; T41-T61 PolarHBondContact OG1-O 2.82Å; D42-T61 PolarHBondContact N-O 3.04Å; D42-T61 PolarHBondContact O-N 3.41Å
62	Y	97.7	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.			trans	-78.1	169.5	-179.7	-74.9	-78	0	0	0	113	R14 L16 F34 T39 L40 T41 V60 E67 V68 A71	R14-Y62 PolarHBondContact NH1-O 3.39Å; R14-Y62 PolarHBondContact O-N 2.99Å; L16-Y62 HydrophobicContact CD1-CE2 4.14Å; F34-Y62 WeakPolarHBondContact CB-OH 3.18Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.49Å; F34-Y62 WeakPolarHBondContact O-CE1 3.35Å; F34-Y62 PolarHBondContact O-OH 2.87Å; T39-Y62 CarbonylContact O-C 3.49Å; L40-Y62 HydrophobicContact CD2-CD1 3.61Å; L40-Y62 HydrophobicContact CD2-CD2 4Å; L40-Y62 HydrophobicContact CD2-CE1 3.56Å; L40-Y62 HydrophobicContact CD2-CE2 3.99Å; L40-Y62 HydrophobicContact CD2-CG 3.85Å; L40-Y62 HydrophobicContact CG-CE1 4.27Å; T41-Y62 PolarHBondContact OG1-O 2.88Å; V60-Y62 HydrophobicContact CG2-CE2 4.13Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.42Å; Y62-E67 HydrophobicContact CE1-CB 4.31Å; Y62-E67 HydrophobicContact CG-CB 3.76Å; Y62-V68 HydrophobicContact CD2-CG2 3.83Å; Y62-V68 HydrophobicContact CG-CG2 4.34Å; Y62-A71 HydrophobicContact CE2-CB 3.9Å; Y62-A71 WeakPolarHBondContact OH-CB 3.34Å
63	A	95.4	Very high	95.6	Very high	38 Å²	38	40.1 Å²	40.1	31%	0.314	20%	0.202	S	C	.	.	S	Bend	trans	-81	-29.5	176.9	0	0	0	0	0	112.5	R14 T39 T41 E67	R14-A63 WeakPolarHBondContact CD-O 3.24Å; T39-A63 PolarHBondContact O-N 2.85Å; T41-A63 HydrophobicContact CG2-CB 4.04Å; A63-E67 WeakPolarHBondContact CA-OE2 3.41Å; A63-E67 WeakPolarHBondContact CB-OE2 3.05Å; A63-E67 PolarHBondContact N-OE2 3.12Å
64	T	94.6	Very high	95.9	Very high	45 Å²	45	33.2 Å²	33.2	28%	0.276	18%	0.184	S	C	.	.	S	Bend	trans	-130.4	166.9	172	70.5	0	0	0	0	112.6	E9 E66 E67	E9-T64 VanDerWaalsContact OE2-CA 3.29Å; E9-T64 WeakPolarHBondContact OE2-CA 3.47Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact OG1-N 3.35Å; T64-E67 PolarHBondContact N-OE2 3.1Å; T64-E67 VanDerWaalsContact N-OE2 3.12Å; T64-E67 WeakPolarHBondContact OG1-CG 3.37Å; T64-E67 PolarHBondContact OG1-N 3.19Å
65	V	93.9	Very high	96	Very high	26 Å²	26	36 Å²	36	16%	0.158	19%	0.194	C	C	.	.	H	α-helix	trans	-72.1	-28.6	169.6	176.6	0	0	0	0	111.5	E9 L13 R14 E67 V68 D69	E9-V65 HydrophobicContact CB-CG2 4.2Å; E9-V65 HydrophobicContact CG-CG2 4.42Å; E9-V65 WeakPolarHBondContact OE1-CB 3.43Å; E9-V65 WeakPolarHBondContact OE1-CG2 3.48Å; E9-V65 PolarHBondContact OE2-N 2.83Å; L13-V65 HydrophobicContact CB-CG2 3.59Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 PolarHBondContact O-N 2.81Å; V65-V68 WeakPolarHBondContact O-CA 3.43Å; V65-V68 VanDerWaalsContact O-CB 3.29Å; V65-V68 WeakPolarHBondContact O-CB 3.48Å; V65-V68 PolarHBondContact O-N 2.99Å; V65-D69 PolarHBondContact O-N 3.36Å
66	E	94.7	Very high	96.1	Very high	155 Å²	155	37.5 Å²	37.5	72%	0.724	21%	0.214	S	C	*	.	H	α-helix	trans	-59.6	-38.3	175.4	-57.8	176.8	151.9	0	0	112.1	T64 D69 A70	T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact OG1-N 3.35Å; E66-D69 PolarHBondContact O-N 3.42Å; E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.21Å
67	E	96.6	Very high	96.2	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-34.1	173.8	-68.2	175.5	147	0	0	112.3	G38 T39 Y62 A63 T64 V65 A71	G38-E67 VanDerWaalsContact CA-CD 3.46Å; G38-E67 VanDerWaalsContact CA-OE1 3.23Å; G38-E67 WeakPolarHBondContact CA-OE1 3.33Å; T39-E67 VanDerWaalsContact N-CD 3.28Å; T39-E67 PolarHBondContact N-OE1 2.81Å; T39-E67 PolarHBondContact N-OE2 2.93Å; T39-E67 PolarHBondContact OG1-OE1 3.13Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.42Å; Y62-E67 HydrophobicContact CE1-CB 4.31Å; Y62-E67 HydrophobicContact CG-CB 3.76Å; A63-E67 WeakPolarHBondContact CA-OE2 3.41Å; A63-E67 WeakPolarHBondContact CB-OE2 3.05Å; A63-E67 PolarHBondContact N-OE2 3.12Å; T64-E67 PolarHBondContact N-OE2 3.1Å; T64-E67 VanDerWaalsContact N-OE2 3.12Å; T64-E67 WeakPolarHBondContact OG1-CG 3.37Å; T64-E67 PolarHBondContact OG1-N 3.19Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 PolarHBondContact O-N 2.81Å; E67-A71 PolarHBondContact O-N 3.27Å
68	V	96.2	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-45.5	170.6	178.9	0	0	0	0	110.6	R14 L16 Y62 V65 A71 M72	R14-V68 WeakPolarHBondContact O-CG2 3.36Å; L16-V68 HydrophobicContact CD1-CG1 4.35Å; L16-V68 HydrophobicContact CD2-CG1 3.55Å; L16-V68 HydrophobicContact CG-CG1 3.92Å; Y62-V68 HydrophobicContact CD2-CG2 3.83Å; Y62-V68 HydrophobicContact CG-CG2 4.34Å; V65-V68 WeakPolarHBondContact O-CA 3.43Å; V65-V68 VanDerWaalsContact O-CB 3.29Å; V65-V68 WeakPolarHBondContact O-CB 3.48Å; V65-V68 PolarHBondContact O-N 2.99Å; V68-A71 PolarHBondContact O-N 3.22Å; V68-M72 HydrophobicContact CG1-CG 4.15Å; V68-M72 WeakPolarHBondContact O-CB 3.38Å; V68-M72 WeakPolarHBondContact O-CG 3.24Å; V68-M72 PolarHBondContact O-N 2.63Å
69	D	95.1	Very high	96.2	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-40.4	-179.5	-75.6	22	0	0	0	110.7	V65 E66 A71 M72 N73 R88	V65-D69 PolarHBondContact O-N 3.36Å; E66-D69 PolarHBondContact O-N 3.42Å; D69-A71 PolarHBondContact O-N 2.87Å; D69-M72 PolarHBondContact O-N 2.88Å; D69-N73 VanDerWaalsContact O-CB 3.3Å; D69-N73 WeakPolarHBondContact O-CB 3.22Å; D69-N73 PolarHBondContact O-N 3Å; D69-N73 PolarHBondContact O-ND2 3.45Å; D69-R88 IonicContact OD1-CZ 3.77Å; D69-R88 IonicContact OD1-NH1 3.79Å; D69-R88 PolarHBondContact OD1-NH1 3.45Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.17Å
70	A	96.3	Very high	96.1	Very high	42 Å²	42	43.8 Å²	43.8	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-45.6	172.1	0	0	0	0	0	112.1	W37 E66 N73 A74	W37-A70 HydrophobicContact CB-CB 4.34Å; E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.21Å; A70-N73 PolarHBondContact O-N 2.99Å; A70-A74 PolarHBondContact O-N 2.79Å
71	A	97.3	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-46.2	175.2	0	0	0	0	0	111.9	L16 W37 Y62 E67 V68 D69 N73 A74 H77	L16-A71 HydrophobicContact CD1-CB 4.17Å; W37-A71 HydrophobicContact CB-CB 3.93Å; W37-A71 HydrophobicContact CD2-CB 4.45Å; W37-A71 HydrophobicContact CG-CB 4.17Å; Y62-A71 HydrophobicContact CE2-CB 3.9Å; Y62-A71 WeakPolarHBondContact OH-CB 3.34Å; E67-A71 PolarHBondContact O-N 3.27Å; V68-A71 PolarHBondContact O-N 3.22Å; D69-A71 PolarHBondContact O-N 2.87Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.83Å; A71-A74 PolarHBondContact O-N 2.94Å; A71-H77 PolarHBondContact O-CE1 3.31Å; A71-H77 VanDerWaalsContact O-CE1 3.29Å; A71-H77 CovalentContact O-NE2 1.8Å; A71-H77 PolarHBondContact O-NE2 3.28Å
72	M	96.1	Very high	95.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-31.4	179.2	-71.1	-59.8	-74.1	0	0	112.3	L16 V68 D69 A74 R75 P86 D157	L16-M72 HydrophobicContact CD1-CG 4.35Å; L16-M72 HydrophobicContact CD1-SD 4.06Å; L16-M72 HydrophobicContact CD2-CG 3.9Å; L16-M72 HydrophobicContact CD2-SD 3.6Å; L16-M72 VanDerWaalsContact CD2-SD 3.6Å; V68-M72 HydrophobicContact CG1-CG 4.15Å; V68-M72 WeakPolarHBondContact O-CB 3.38Å; V68-M72 WeakPolarHBondContact O-CG 3.24Å; V68-M72 PolarHBondContact O-N 2.63Å; D69-M72 PolarHBondContact O-N 2.88Å; M72-A74 VanDerWaalsContact C-N 3.29Å; M72-A74 PolarHBondContact O-N 2.69Å; M72-R75 VanDerWaalsContact O-CZ 3.27Å; M72-R75 PolarHBondContact O-NE 3.14Å; M72-R75 PolarHBondContact O-NH2 3.06Å; M72-P86 HydrophobicContact SD-CB 3.8Å; M72-D157 HydrophobicContact CE-CB 3.81Å; M72-D157 WeakPolarHBondContact CE-OD1 3.44Å
73	N	95.4	Very high	95.8	Very high	124 Å²	124	57.1 Å²	57.1	66%	0.663	32%	0.322	S	S	*	.	H	α-helix	trans	-74.7	-16.6	174.5	-70.1	-30.6	0	0	0	113.4	D69 A70 A71	D69-N73 VanDerWaalsContact O-CB 3.3Å; D69-N73 WeakPolarHBondContact O-CB 3.22Å; D69-N73 PolarHBondContact O-N 3Å; D69-N73 PolarHBondContact O-ND2 3.45Å; A70-N73 PolarHBondContact O-N 2.99Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.83Å
74	A	96.5	Very high	95.9	Very high	34 Å²	34	55.8 Å²	55.8	28%	0.281	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.3	177.5	0	0	0	0	0	114.7	W37 A70 A71 M72 H77	W37-A74 HydrophobicContact CD2-CB 4.41Å; W37-A74 HydrophobicContact CZ2-CB 3.81Å; A70-A74 PolarHBondContact O-N 2.79Å; A71-A74 PolarHBondContact O-N 2.94Å; M72-A74 VanDerWaalsContact C-N 3.29Å; M72-A74 PolarHBondContact O-N 2.69Å; A74-H77 VanDerWaalsContact C-NE2 3.32Å
75	R	95.6	Very high	95.9	Very high	62 Å²	62	57.1 Å²	57.1	23%	0.234	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.6	172	-81	172.2	-66.9	141.4	14.4	110.8	M72 H77 P86 D155 H156	M72-R75 VanDerWaalsContact O-CZ 3.27Å; M72-R75 PolarHBondContact O-NE 3.14Å; M72-R75 PolarHBondContact O-NH2 3.06Å; R75-H77 PolarHBondContact N-NE2 3.34Å; R75-P86 HydrophobicContact CG-CG 3.99Å; R75-D155 IonicContact CZ-OD1 3.56Å; R75-D155 IonicContact CZ-OD2 3.82Å; R75-D155 VanDerWaalsContact CZ-OD2 3.24Å; R75-D155 VanDerWaalsContact NH1-CG 3.26Å; R75-D155 IonicContact NH1-OD1 2.6Å; R75-D155 PolarHBondContact NH1-OD1 3.1Å; R75-D155 IonicContact NH1-OD2 2.87Å; R75-D155 PolarHBondContact NH1-OD2 2.94Å; R75-D155 IonicContact NH2-OD1 2.66Å; R75-D155 IonicContact NH2-OD2 3.8Å; R75-D155 PolarHBondContact NH2-OD2 2.76Å; R75-H156 PolarHBondContact NH1-CD2 3.45Å; R75-H156 PolarHBondContact NH1-NE2 2.8Å
76	P	95.9	Very high	96	Very high	111 Å²	111	56 Å²	56	72%	0.721	31%	0.306	S	S	*	.	S	Bend	cis	-85.6	134.2	3.7	33.1	-34	0	0	0	113.6	V83	P76-V83 HydrophobicContact CB-CG1 4.27Å
77	H	97.3	Very high	96	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-85.5	149.1	176.6	-67.3	-98.5	0	0	0	111.5	H33 F34 W37 A71 A74 R75 V83 V84 P86	H33-H77 AromaticContact CD2-ND1 3.97Å; F34-H77 AromaticContact CE1-CG 3.94Å; F34-H77 AromaticContact CE1-ND1 3.58Å; F34-H77 HydrophobicContact CZ-CB 4.24Å; W37-H77 AromaticContact CD2-CE1 2.98Å; W37-H77 AromaticContact CE2-CE1 3.02Å; W37-H77 AromaticContact CE3-CE1 2.85Å; W37-H77 AromaticContact CG-CE1 3.95Å; W37-H77 AromaticContact CH2-CE1 2.93Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.49Å; W37-H77 AromaticContact CH2-ND1 3.2Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.4Å; W37-H77 AromaticContact CZ2-CE1 3.02Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.08Å; W37-H77 AromaticContact CZ2-ND1 3.88Å; W37-H77 AromaticContact CZ3-CE1 2.83Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.25Å; W37-H77 AromaticContact CZ3-ND1 3.33Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.33Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.48Å; W37-H77 AromaticContact NE1-CE1 3.9Å; A71-H77 PolarHBondContact O-CE1 3.31Å; A71-H77 VanDerWaalsContact O-CE1 3.29Å; A71-H77 CovalentContact O-NE2 1.8Å; A71-H77 PolarHBondContact O-NE2 3.28Å; A74-H77 VanDerWaalsContact C-NE2 3.32Å; R75-H77 PolarHBondContact N-NE2 3.34Å; H77-V83 WeakPolarHBondContact O-CA 3.47Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.16Å; H77-P86 HydrophobicContact CB-CG 4.48Å
78	K	96.8	Very high	95.9	Very high	124 Å²	124	48.7 Å²	48.7	54%	0.539	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	104.9	177.6	-172.4	-179	-179.3	-177.6	0	110.4	H33 G81 R82	H33-K78 PolarHBondContact NE2-O 2.85Å; K78-G81 VanDerWaalsContact CE-C 3.49Å; K78-G81 WeakPolarHBondContact CE-O 3.32Å; K78-R82 CarbonylContact C-O 3.48Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.31Å
79	V	96.2	Very high	95.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131	-178.6	-171	0	0	0	0	108.5	T25 L30 H33 F34 G81 R82 V84	T25-V79 HydrophobicContact CG2-CG1 4.06Å; L30-V79 HydrophobicContact CD1-CG1 4.46Å; H33-V79 HydrophobicContact CB-CG1 4.48Å; H33-V79 HydrophobicContact CB-CG2 4.26Å; F34-V79 HydrophobicContact CE2-CG2 3.98Å; V79-G81 VanDerWaalsContact C-N 3.26Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-G81 VanDerWaalsContact O-N 3.16Å; V79-R82 PolarHBondContact N-O 2.88Å; V79-R82 PolarHBondContact O-N 2.86Å; V79-R82 VanDerWaalsContact O-O 3.08Å; V79-V84 HydrophobicContact CB-CG1 3.94Å; V79-V84 HydrophobicContact CG2-CG1 3.87Å; V79-V84 HydrophobicContact CG2-CG2 3.86Å
80	D	95.2	Very high	95.6	Very high	70 Å²	70	48.3 Å²	48.3	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	47.7	178	-52.8	-40	0	0	0	113.5	T25 S29 R82	T25-D80 WeakPolarHBondContact CA-OD2 3.44Å; T25-D80 WeakPolarHBondContact CB-OD2 3.21Å; T25-D80 VanDerWaalsContact CG2-OD2 3.3Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.3Å; T25-D80 PolarHBondContact OG1-OD2 2.75Å; S29-D80 WeakPolarHBondContact CB-OD1 3.43Å; S29-D80 PolarHBondContact OG-OD1 3.33Å; S29-D80 PolarHBondContact OG-OD2 3.26Å; D80-R82 PolarHBondContact O-N 3.08Å
81	G	94.4	Very high	95.1	Very high	61 Å²	61	47.1 Å²	47.1	63%	0.629	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-11.7	-179.4	0	0	0	0	0	115.7	K78 V79	K78-G81 VanDerWaalsContact CE-C 3.49Å; K78-G81 WeakPolarHBondContact CE-O 3.32Å; V79-G81 VanDerWaalsContact C-N 3.26Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-G81 VanDerWaalsContact O-N 3.16Å
82	R	95.9	Very high	94.4	Very high	123 Å²	123	53.5 Å²	53.5	46%	0.464	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.2	-172.7	-170.9	168.9	173.9	101.6	0	112.1	G20 K78 V79 D80	G20-R82 WeakPolarHBondContact O-CD 3.46Å; G20-R82 PolarHBondContact O-NE 3.26Å; K78-R82 CarbonylContact C-O 3.48Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.31Å; V79-R82 PolarHBondContact N-O 2.88Å; V79-R82 PolarHBondContact O-N 2.86Å; V79-R82 VanDerWaalsContact O-O 3.08Å; D80-R82 PolarHBondContact O-N 3.08Å
83	V	96.8	Very high	93.9	Very high	97 Å²	97	59.9 Å²	59.9	59%	0.588	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.8	172.9	-179	0	0	0	0	108.9	P76 H77	P76-V83 HydrophobicContact CB-CG1 4.27Å; H77-V83 WeakPolarHBondContact O-CA 3.47Å
84	V	96.9	Very high	93.3	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	29%	0.292	C	S	.	.			trans	-111.7	160.3	-176.8	-56.6	0	0	0	0	111	I18 G19 L21 F34 H77 V79 P86	I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.46Å; I18-V84 HydrophobicContact CG2-CG2 3.83Å; G19-V84 WeakPolarHBondContact O-CA 3.18Å; G19-V84 WeakPolarHBondContact O-CB 3.44Å; L21-V84 HydrophobicContact CD2-CB 4.42Å; L21-V84 HydrophobicContact CD2-CG1 3.75Å; F34-V84 HydrophobicContact CZ-CG2 4.3Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.16Å; V79-V84 HydrophobicContact CB-CG1 3.94Å; V79-V84 HydrophobicContact CG2-CG1 3.87Å; V79-V84 HydrophobicContact CG2-CG2 3.86Å; V84-P86 WeakPolarHBondContact O-CD 3.17Å
85	E	94.8	Very high	92.8	Very high	74 Å²	74	55.8 Å²	55.8	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	90.7	-179.4	-165	-168.6	-168.1	0	0	109.9	G19 K87 T103	G19-E85 PolarHBondContact N-O 3.42Å; G19-E85 PolarHBondContact O-N 3.14Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.75Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 WeakPolarHBondContact OE2-CE 3.21Å; E85-K87 IonicContact OE2-NZ 3.58Å; E85-K87 PolarHBondContact OE2-NZ 2.6Å; E85-T103 PolarHBondContact OE1-OG1 2.66Å
86	P	96.4	Very high	92.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.7	172.4	-10.5	26.5	0	0	0	111	L16 F17 I18 F34 M72 R75 H77 V84	L16-P86 HydrophobicContact CD1-CB 4.4Å; F17-P86 CarbonylContact O-C 3.55Å; F17-P86 WeakPolarHBondContact O-CA 3.42Å; I18-P86 HydrophobicContact CD1-CB 3.79Å; I18-P86 HydrophobicContact CD1-CG 4.36Å; F34-P86 HydrophobicContact CE1-CG 4.49Å; F34-P86 HydrophobicContact CZ-CG 4.33Å; M72-P86 HydrophobicContact SD-CB 3.8Å; R75-P86 HydrophobicContact CG-CG 3.99Å; H77-P86 HydrophobicContact CB-CG 4.48Å; V84-P86 WeakPolarHBondContact O-CD 3.17Å
87	K	95.4	Very high	91.6	Very high	22 Å²	22	58.6 Å²	58.6	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.3	172.3	-54.9	178.1	-163.4	178.8	0	108.7	L16 F17 E85 A89 T103	L16-K87 CarbonylContact C-O 3.55Å; L16-K87 WeakPolarHBondContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CD2-O 3.28Å; F17-K87 HydrophobicContact CD1-CB 4.49Å; F17-K87 PolarHBondContact N-O 2.69Å; F17-K87 PolarHBondContact O-N 2.88Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.75Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 WeakPolarHBondContact OE2-CE 3.21Å; E85-K87 IonicContact OE2-NZ 3.58Å; E85-K87 PolarHBondContact OE2-NZ 2.6Å; K87-A89 PolarHBondContact O-N 3.03Å; K87-T103 VanDerWaalsContact CE-OG1 3.28Å; K87-T103 WeakPolarHBondContact CE-OG1 3.28Å; K87-T103 PolarHBondContact NZ-OG1 2.83Å
88	R	94.1	Very high	90.9	Very high	13 Å²	13	61 Å²	61	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.5	169.6	-55.1	-164.5	-175.2	-118.2	-6.6	109.6	L16 D69 V90 D157 D160 I164	L16-R88 HydrophobicContact CD2-CG 4.19Å; D69-R88 IonicContact OD1-CZ 3.77Å; D69-R88 IonicContact OD1-NH1 3.79Å; D69-R88 PolarHBondContact OD1-NH1 3.45Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.17Å; R88-V90 PolarHBondContact O-N 3.34Å; R88-D157 IonicContact CZ-OD1 3.24Å; R88-D157 VanDerWaalsContact CZ-OD1 3.3Å; R88-D157 IonicContact CZ-OD2 2.97Å; R88-D157 IonicContact NE-OD1 2.76Å; R88-D157 PolarHBondContact NE-OD1 3.44Å; R88-D157 IonicContact NE-OD2 3.98Å; R88-D157 VanDerWaalsContact NH2-CG 3.31Å; R88-D157 IonicContact NH2-OD1 2.88Å; R88-D157 PolarHBondContact NH2-OD1 3.13Å; R88-D157 IonicContact NH2-OD2 3.37Å; R88-D157 PolarHBondContact NH2-OD2 2.59Å; R88-D160 HydrophobicContact CB-CB 4.24Å; R88-D160 HydrophobicContact CG-CB 4.25Å; R88-I164 HydrophobicContact CB-CD1 4.26Å
89	A	93.3	Very high	90.2	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.3	133.2	177.9	0	0	0	0	0	109	Q12 K15 F59 K87	Q12-A89 PolarHBondContact NE2-O 3.06Å; K15-A89 HydrophobicContact CB-CB 3.94Å; K15-A89 HydrophobicContact CG-CB 4.06Å; K15-A89 WeakPolarHBondContact O-CB 3.18Å; K15-A89 PolarHBondContact O-N 3.36Å; F59-A89 HydrophobicContact CD1-CB 4.42Å; F59-A89 HydrophobicContact CE1-CB 4.37Å; K87-A89 PolarHBondContact O-N 3.03Å
90	V	90	Very high	89.8	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.23	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-82.7	144.9	171	-173.8	0	0	0	0	108.4	Q12 R88 D94 A100	Q12-V90 PolarHBondContact NE2-O 2.9Å; Q12-V90 VanDerWaalsContact NE2-O 3.08Å; R88-V90 PolarHBondContact O-N 3.34Å; V90-D94 HydrophobicContact CG1-CB 3.76Å; V90-A100 HydrophobicContact CG1-CB 4.07Å
91	S	86.3	Confident	89.3	Confident	17 Å²	17	56.2 Å²	56.2	12%	0.119	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.9	159	173	73.3	0	0	0	0	110.9	E93 D94 S95	S91-E93 PolarHBondContact O-N 3.28Å; S91-D94 PolarHBondContact O-N 3.12Å; S91-D94 WeakPolarHBondContact OG-CB 3.13Å; S91-D94 PolarHBondContact OG-N 3.29Å; S91-D94 PolarHBondContact OG-OD2 3.08Å; S91-S95 VanDerWaalsContact O-CB 3.3Å; S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.03Å; S91-S95 PolarHBondContact O-OG 3.25Å
92	R	83.6	Confident	89.1	Confident	133 Å²	133	56 Å²	56	50%	0.502	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-33.5	179.3	-71.7	174.8	169.3	-117.8	0.3	111.4	Y318	R92-Y318 PolarHBondContact NH1-O 2.86Å
93	E	84.6	Confident	88.9	Confident	136 Å²	136	53 Å²	53	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-45.4	179.7	-61.7	63.2	-139.8	0	0	110.3	S91 Q96	S91-E93 PolarHBondContact O-N 3.28Å; E93-Q96 PolarHBondContact O-N 3.25Å
94	D	84.2	Confident	88.8	Confident	39 Å²	39	49.5 Å²	49.5	21%	0.209	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-82.6	-22	-178.3	-58	-42.6	0	0	0	113	V90 S91 Q96 R97 A100	V90-D94 HydrophobicContact CG1-CB 3.76Å; S91-D94 PolarHBondContact O-N 3.12Å; S91-D94 WeakPolarHBondContact OG-CB 3.13Å; S91-D94 PolarHBondContact OG-N 3.29Å; S91-D94 PolarHBondContact OG-OD2 3.08Å; D94-Q96 PolarHBondContact O-N 3.39Å; D94-Q96 VanDerWaalsContact O-N 3.16Å; D94-R97 VanDerWaalsContact O-CB 3.25Å; D94-R97 WeakPolarHBondContact O-CB 3.4Å; D94-R97 WeakPolarHBondContact O-CG 3.45Å; D94-R97 PolarHBondContact O-N 2.87Å; D94-R97 IonicContact OD1-CZ 3.9Å; D94-R97 IonicContact OD1-NE 2.62Å; D94-R97 PolarHBondContact OD1-NE 2.82Å; D94-R97 IonicContact OD1-NH2 3.1Å; D94-R97 PolarHBondContact OD1-NH2 3.44Å; D94-R97 IonicContact OD2-NH2 2.72Å; D94-A100 WeakPolarHBondContact O-CB 3.25Å
95	S	86	Confident	88.7	Confident	33 Å²	33	53.9 Å²	53.9	23%	0.231	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.1	-22.8	170	-62.2	0	0	0	0	112.4	S91 R97 H101	S91-S95 VanDerWaalsContact O-CB 3.3Å; S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.03Å; S91-S95 PolarHBondContact O-OG 3.25Å; S95-R97 VanDerWaalsContact C-N 3.31Å; S95-H101 VanDerWaalsContact CB-NE2 3.35Å; S95-H101 WeakPolarHBondContact CB-NE2 3.36Å; S95-H101 PolarHBondContact OG-CE1 2.85Å; S95-H101 VanDerWaalsContact OG-CE1 3.28Å; S95-H101 PolarHBondContact OG-NE2 2.78Å
96	Q	83.3	Confident	88.8	Confident	158 Å²	158	53.3 Å²	53.3	74%	0.738	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-78.5	-11	173.6	-55.1	-55.6	-54.6	0	0	113.5	E93 D94	E93-Q96 PolarHBondContact O-N 3.25Å; D94-Q96 PolarHBondContact O-N 3.39Å; D94-Q96 VanDerWaalsContact O-N 3.16Å
97	R	82.5	Confident	88.9	Confident	73 Å²	73	53.2 Å²	53.2	28%	0.275	27%	0.267	S	S	.	.	S	Bend	trans	-75.3	133.2	177.7	-59.8	178.2	-171.7	-168.6	9.3	109.4	D94 S95 G99 A100	D94-R97 VanDerWaalsContact O-CB 3.25Å; D94-R97 WeakPolarHBondContact O-CB 3.4Å; D94-R97 WeakPolarHBondContact O-CG 3.45Å; D94-R97 PolarHBondContact O-N 2.87Å; D94-R97 IonicContact OD1-CZ 3.9Å; D94-R97 IonicContact OD1-NE 2.62Å; D94-R97 PolarHBondContact OD1-NE 2.82Å; D94-R97 IonicContact OD1-NH2 3.1Å; D94-R97 PolarHBondContact OD1-NH2 3.44Å; D94-R97 IonicContact OD2-NH2 2.72Å; S95-R97 VanDerWaalsContact C-N 3.31Å; R97-G99 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact O-N 3.12Å; R97-A100 HydrophobicContact CB-CB 4.39Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.43Å; R97-A100 VanDerWaalsContact O-N 3.1Å
98	P	82.3	Confident	88.9	Confident	54 Å²	54	55.1 Å²	55.1	35%	0.351	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	121.6	174.9	-28.8	35.8	0	0	0	112.1	A189	P98-A189 HydrophobicContact CB-CB 3.56Å; P98-A189 HydrophobicContact CG-CB 3.96Å
99	G	83	Confident	89	Confident	24 Å²	24	54.5 Å²	54.5	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	11	177.7	0	0	0	0	0	116.9	R97 H101 L102	R97-G99 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact O-N 3.12Å; G99-H101 VanDerWaalsContact C-N 3.3Å; G99-H101 PolarHBondContact O-N 3.08Å; G99-L102 VanDerWaalsContact CA-CD1 3.42Å; G99-L102 WeakPolarHBondContact O-CB 3.45Å; G99-L102 WeakPolarHBondContact O-CG 3.49Å; G99-L102 PolarHBondContact O-N 3.11Å; G99-L102 VanDerWaalsContact O-N 3.08Å
100	A	86	Confident	89.1	Confident	15 Å²	15	54.7 Å²	54.7	12%	0.124	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.6	-177.4	0	0	0	0	0	114.3	V90 D94 R97 K179	V90-A100 HydrophobicContact CG1-CB 4.07Å; D94-A100 WeakPolarHBondContact O-CB 3.25Å; R97-A100 HydrophobicContact CB-CB 4.39Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.43Å; R97-A100 VanDerWaalsContact O-N 3.1Å; A100-K179 WeakPolarHBondContact O-CE 3.29Å; A100-K179 PolarHBondContact O-NZ 3.21Å
101	H	86.3	Confident	89.3	Confident	55 Å²	55	55 Å²	55	26%	0.255	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	178.9	-58.7	-68	0	0	0	114.7	S95 G99 F315	S95-H101 VanDerWaalsContact CB-NE2 3.35Å; S95-H101 WeakPolarHBondContact CB-NE2 3.36Å; S95-H101 PolarHBondContact OG-CE1 2.85Å; S95-H101 VanDerWaalsContact OG-CE1 3.28Å; S95-H101 PolarHBondContact OG-NE2 2.78Å; G99-H101 VanDerWaalsContact C-N 3.3Å; G99-H101 PolarHBondContact O-N 3.08Å; H101-F315 HydrophobicContact CB-CE2 4.22Å; H101-F315 HydrophobicContact CB-CZ 4.42Å; H101-F315 AromaticContact CD2-CD2 3.86Å; H101-F315 AromaticContact CD2-CE2 3.72Å; H101-F315 AromaticContact CG-CE2 3.94Å; H101-F315 AromaticContact CG-CZ 4Å
102	L	89.5	Confident	89.6	Confident	56 Å²	56	54.4 Å²	54.4	29%	0.293	28%	0.282	S	S	.	.			trans	-68.5	136.2	179	-64.6	170.5	0	0	0	111.1	G99 V104 K179 L181 E185	G99-L102 VanDerWaalsContact CA-CD1 3.42Å; G99-L102 WeakPolarHBondContact O-CB 3.45Å; G99-L102 WeakPolarHBondContact O-CG 3.49Å; G99-L102 PolarHBondContact O-N 3.11Å; G99-L102 VanDerWaalsContact O-N 3.08Å; L102-V104 HydrophobicContact CB-CG1 3.91Å; L102-V104 PolarHBondContact O-N 2.83Å; L102-K179 PolarHBondContact O-NZ 3.43Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; L102-E185 VanDerWaalsContact CD1-OE1 3.25Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.17Å
103	T	91.9	Very high	90	Very high	61 Å²	61	53.6 Å²	53.6	37%	0.374	28%	0.282	S	S	.	.			trans	-78.1	95.4	168.2	-44.5	0	0	0	0	108.1	E85 K87 H156	E85-T103 PolarHBondContact OE1-OG1 2.66Å; K87-T103 VanDerWaalsContact CE-OG1 3.28Å; K87-T103 WeakPolarHBondContact CE-OG1 3.28Å; K87-T103 PolarHBondContact NZ-OG1 2.83Å; T103-H156 HydrophobicContact CG2-CB 3.79Å
104	V	94.1	Very high	90.3	Very high	24 Å²	24	52.2 Å²	52.2	15%	0.145	28%	0.276	C	S	.	.			trans	-123.6	139.3	175.6	-54.4	0	0	0	0	110.4	L102 K106 V159 K179	L102-V104 HydrophobicContact CB-CG1 3.91Å; L102-V104 PolarHBondContact O-N 2.83Å; V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 WeakPolarHBondContact CG2-O 3.31Å; V104-V159 HydrophobicContact CG2-CG1 4.14Å; V104-V159 WeakPolarHBondContact O-CB 3.19Å; V104-V159 WeakPolarHBondContact O-CG2 3.45Å; V104-K179 HydrophobicContact CG2-CB 3.74Å; V104-K179 HydrophobicContact CG2-CD 4.04Å; V104-K179 HydrophobicContact CG2-CG 3.83Å
105	K	96.2	Very high	90.7	Very high	100 Å²	100	53.9 Å²	53.9	44%	0.435	29%	0.285	S	S	.	.	S	Bend	trans	-88.8	6.1	173.9	-59	-170.5	179.2	-170.8	0	113.5	T152 F153 D154 V159	K105-T152 CarbonylContact O-C 3.47Å; K105-T152 WeakPolarHBondContact O-CA 3.35Å; K105-F153 WeakPolarHBondContact CB-O 3.42Å; K105-F153 PolarHBondContact O-N 2.79Å; K105-D154 WeakPolarHBondContact CD-O 3.45Å; K105-D154 WeakPolarHBondContact CE-O 3.42Å; K105-D154 PolarHBondContact NZ-O 2.96Å; K105-V159 VanDerWaalsContact C-CG2 3.41Å
106	K	96.9	Very high	91.1	Very high	62 Å²	62	52.3 Å²	52.3	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.4	-170.8	-166	166.3	-169.4	156	0	111.8	V104 E135 F150 V151 T152 A180	V104-K106 VanDerWaalsContact C-N 3.31Å; V104-K106 WeakPolarHBondContact CG2-O 3.31Å; K106-E135 WeakPolarHBondContact CE-OE2 3.49Å; K106-E135 IonicContact NZ-OE2 2.73Å; K106-E135 PolarHBondContact NZ-OE2 2.84Å; K106-F150 HydrophobicContact CD-CB 4.42Å; K106-F150 HydrophobicContact CG-CB 4.28Å; K106-F150 HydrophobicContact CG-CD1 4.5Å; K106-V151 CarbonylContact C-O 3.55Å; K106-V151 WeakPolarHBondContact CA-O 3.39Å; K106-T152 HydrophobicContact CB-CG2 4.41Å; K106-T152 WeakPolarHBondContact CD-OG1 3.36Å; K106-T152 WeakPolarHBondContact CE-OG1 3.47Å; K106-A180 HydrophobicContact CB-CB 3.96Å; K106-A180 HydrophobicContact CD-CB 4.43Å; K106-A180 HydrophobicContact CG-CB 3.81Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 3.2Å; K106-A180 PolarHBondContact O-N 2.8Å
107	I	97.2	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.7	170	54.3	175.1	0	0	0	111.5	V109 F125 F150 V151 F153 V159 I162 V163 V177 R178	I107-V109 HydrophobicContact CD1-CG2 3.67Å; I107-V109 HydrophobicContact CG1-CG2 3.97Å; I107-F125 HydrophobicContact CD1-CD1 3.92Å; I107-F125 HydrophobicContact CD1-CD2 4.4Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.27Å; I107-F125 HydrophobicContact CD1-CG 4.26Å; I107-F125 HydrophobicContact CD1-CZ 3.95Å; I107-F150 WeakPolarHBondContact O-CA 3.1Å; I107-F150 WeakPolarHBondContact O-CB 3.19Å; I107-F150 WeakPolarHBondContact O-CD1 3.29Å; I107-V151 HydrophobicContact CD1-CB 3.97Å; I107-V151 HydrophobicContact CD1-CG2 4.37Å; I107-V151 HydrophobicContact CG1-CB 3.73Å; I107-V151 HydrophobicContact CG1-CG2 4.43Å; I107-V151 PolarHBondContact N-O 3.2Å; I107-V151 PolarHBondContact O-N 2.75Å; I107-V151 VanDerWaalsContact O-N 3.14Å; I107-F153 HydrophobicContact CD1-CE2 3.9Å; I107-F153 HydrophobicContact CD1-CZ 4.3Å; I107-F153 HydrophobicContact CG1-CE2 4.01Å; I107-V159 HydrophobicContact CG2-CB 4.26Å; I107-V159 HydrophobicContact CG2-CG1 3.72Å; I107-V159 HydrophobicContact CG2-CG2 4.08Å; I107-I162 HydrophobicContact CD1-CD1 4.13Å; I107-I162 HydrophobicContact CD1-CG2 4.32Å; I107-I162 HydrophobicContact CG2-CG2 4.5Å; I107-V163 HydrophobicContact CG2-CG1 3.99Å; I107-V177 HydrophobicContact CB-CG1 3.91Å; I107-V177 HydrophobicContact CD1-CG1 3.81Å; I107-V177 HydrophobicContact CG1-CG1 4.4Å; I107-V177 HydrophobicContact CG2-CG1 4.01Å; I107-R178 CarbonylContact C-O 3.52Å; I107-R178 VanDerWaalsContact CA-O 3.3Å; I107-R178 WeakPolarHBondContact CA-O 2.93Å
108	F	96	Very high	92.2	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.272	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.1	159.3	167.2	-88.2	0	0	0	108.2	F148 F150 V177 R178	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CE2-CB 3.67Å; F108-F148 AromaticContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CD2 3.44Å; F108-F148 VanDerWaalsContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.87Å; F108-F148 HydrophobicContact CZ-CD2 4.44Å; F108-F148 HydrophobicContact CZ-CG 4.26Å; F108-F150 HydrophobicContact CB-CD1 4.12Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CZ 4.15Å; F108-F150 HydrophobicContact CG-CE1 4.43Å; F108-V177 WeakPolarHBondContact O-CA 3.02Å; F108-R178 PolarHBondContact N-O 3.45Å; F108-R178 PolarHBondContact O-N 2.91Å
109	V	96.4	Very high	92.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102.3	178.9	-176.2	0	0	0	0	107.8	I107 I112 L121 F125 F148 A149 V151 C175 V177	I107-V109 HydrophobicContact CD1-CG2 3.67Å; I107-V109 HydrophobicContact CG1-CG2 3.97Å; V109-I112 HydrophobicContact CG1-CG2 3.93Å; V109-L121 HydrophobicContact CG1-CD2 4.06Å; V109-F125 HydrophobicContact CG1-CE2 4.09Å; V109-F125 HydrophobicContact CG1-CZ 4.19Å; V109-F125 HydrophobicContact CG2-CE2 3.72Å; V109-F125 HydrophobicContact CG2-CZ 3.8Å; V109-F148 CarbonylContact O-C 3.57Å; V109-F148 WeakPolarHBondContact O-CA 3.5Å; V109-F148 WeakPolarHBondContact O-CB 3.43Å; V109-A149 PolarHBondContact N-O 2.71Å; V109-A149 PolarHBondContact O-N 2.83Å; V109-V151 HydrophobicContact CG2-CG2 4.33Å; V109-C175 HydrophobicContact CG1-CB 4.06Å; V109-V177 HydrophobicContact CG1-CG2 4.28Å; V109-V177 HydrophobicContact CG2-CG1 4.36Å; V109-V177 HydrophobicContact CG2-CG2 4.37Å
110	G	95.8	Very high	93.5	Very high	8 Å²	8	52.7 Å²	52.7	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.6	-175	0	0	0	0	0	113.5	C175 E176	G110-C175 CarbonylContact O-C 3.58Å; G110-C175 WeakPolarHBondContact O-CA 3.45Å; G110-C175 VanDerWaalsContact O-CB 3.23Å; G110-C175 WeakPolarHBondContact O-CB 3.35Å; G110-E176 PolarHBondContact N-O 2.86Å; G110-E176 PolarHBondContact O-N 3.06Å
111	G	93	Very high	94	Very high	44 Å²	44	52 Å²	52	45%	0.454	26%	0.261	S	S	.	.	S	Bend	trans	94.9	1.9	-179.6	0	0	0	0	0	114.9	G147	G111-G147 PolarHBondContact N-O 3.07Å
112	I	93.8	Very high	94.5	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	26%	0.262	C	S	.	.			trans	-62.9	156.4	169.3	63.1	172.8	0	0	0	110.9	V109 T116 G147 A149 C175	V109-I112 HydrophobicContact CG1-CG2 3.93Å; I112-T116 HydrophobicContact CB-CG2 4.01Å; I112-T116 HydrophobicContact CD1-CG2 4.41Å; I112-T116 HydrophobicContact CG2-CG2 4.14Å; I112-G147 PolarHBondContact N-O 3.39Å; I112-G147 VanDerWaalsContact O-CA 3.23Å; I112-G147 WeakPolarHBondContact O-CA 3.45Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; I112-C175 HydrophobicContact CG2-CB 4.03Å
113	K	91.8	Very high	94.8	Very high	115 Å²	115	55.5 Å²	55.5	50%	0.5	28%	0.277	S	S	.	.			trans	-99.3	173.7	-176.6	-64.3	-64.9	-172.7	169.5	0	112.1	D115 T116 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.42Å; K113-D115 PolarHBondContact O-N 3.11Å; K113-T116 PolarHBondContact N-OG1 2.83Å; K113-T116 VanDerWaalsContact N-OG1 3.17Å; K113-T116 WeakPolarHBondContact O-CB 3.42Å; K113-T116 PolarHBondContact O-N 2.76Å; K113-T116 VanDerWaalsContact O-N 3.07Å; K113-T116 PolarHBondContact O-OG1 3.17Å; K113-H173 HydrophobicContact CG-CB 4.4Å; K113-H173 VanDerWaalsContact CG-CE1 3.47Å; K113-H173 WeakPolarHBondContact CG-CE1 3.48Å; K113-H173 WeakPolarHBondContact CG-ND1 3.32Å; K113-H173 WeakPolarHBondContact CG-NE2 3.42Å
114	E	90.5	Very high	95	Very high	108 Å²	108	55 Å²	55	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.8	176.1	-65.8	-170.2	153.4	0	0	112.7	T116 K144 K145	E114-T116 VanDerWaalsContact C-N 3.32Å; E114-K144 IonicContact OE1-NZ 3.86Å; E114-K145 WeakPolarHBondContact O-CD 3.37Å; E114-K145 WeakPolarHBondContact O-CE 3.25Å; E114-K145 PolarHBondContact O-NZ 3.17Å
115	D	92.7	Very high	95.1	Very high	74 Å²	74	53.9 Å²	53.9	40%	0.396	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.6	171.1	59.6	33.7	0	0	0	114.1	K113 E117 N171 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.42Å; K113-D115 PolarHBondContact O-N 3.11Å; D115-E117 WeakPolarHBondContact O-CG 3.37Å; D115-E117 PolarHBondContact O-N 3.2Å; D115-N171 VanDerWaalsContact CG-ND2 3.28Å; D115-N171 PolarHBondContact OD1-ND2 2.74Å; D115-H173 IonicContact OD1-CD2 3.5Å; D115-H173 PolarHBondContact OD1-CD2 3.39Å; D115-H173 IonicContact OD1-NE2 3.26Å; D115-H173 PolarHBondContact OD1-NE2 2.87Å; D115-H173 IonicContact OD2-CD2 3.78Å; D115-H173 IonicContact OD2-CE1 3.57Å; D115-H173 IonicContact OD2-NE2 2.76Å; D115-H173 PolarHBondContact OD2-NE2 2.75Å
116	T	93.5	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.			trans	-80.7	127.2	-163.1	-50.6	0	0	0	0	109.7	I112 K113 E114 H120 L121 K145 N171	I112-T116 HydrophobicContact CB-CG2 4.01Å; I112-T116 HydrophobicContact CD1-CG2 4.41Å; I112-T116 HydrophobicContact CG2-CG2 4.14Å; K113-T116 PolarHBondContact N-OG1 2.83Å; K113-T116 VanDerWaalsContact N-OG1 3.17Å; K113-T116 WeakPolarHBondContact O-CB 3.42Å; K113-T116 PolarHBondContact O-N 2.76Å; K113-T116 VanDerWaalsContact O-N 3.07Å; K113-T116 PolarHBondContact O-OG1 3.17Å; E114-T116 VanDerWaalsContact C-N 3.32Å; T116-H120 HydrophobicContact CG2-CB 4.21Å; T116-L121 HydrophobicContact CG2-CG 4.49Å; T116-K145 WeakPolarHBondContact O-CD 3.37Å; T116-K145 WeakPolarHBondContact O-CE 3.32Å; T116-K145 PolarHBondContact O-NZ 2.88Å; T116-N171 HydrophobicContact CG2-CB 4.36Å
117	E	94.3	Very high	95	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	28%	0.279	S	S	.	.			trans	-117.1	175	-174.4	-52.5	-160.8	148.6	0	0	113	D115 H119 H120 L121	D115-E117 WeakPolarHBondContact O-CG 3.37Å; D115-E117 PolarHBondContact O-N 3.2Å; E117-H119 VanDerWaalsContact C-N 3.33Å; E117-H119 PolarHBondContact O-N 2.8Å; E117-H119 IonicContact OE2-CE1 3.92Å; E117-H119 PolarHBondContact OE2-CE1 3.09Å; E117-H119 IonicContact OE2-ND1 2.63Å; E117-H119 PolarHBondContact OE2-ND1 3.44Å; E117-H120 PolarHBondContact N-ND1 3.41Å; E117-H120 VanDerWaalsContact N-ND1 3.18Å; E117-H120 PolarHBondContact O-N 2.98Å; E117-L121 PolarHBondContact O-N 3.33Å
118	E	95.2	Very high	94.9	Very high	89 Å²	89	59.1 Å²	59.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-44.7	-178.2	-179	175.8	157.2	0	0	111.9	H120 L121 R122 I134	E118-H120 PolarHBondContact O-N 2.63Å; E118-L121 WeakPolarHBondContact O-CB 3.01Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.1Å; E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 PolarHBondContact O-N 2.82Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.72Å; E118-R122 IonicContact OE1-NH2 2.68Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; E118-I134 HydrophobicContact CG-CB 3.87Å; E118-I134 HydrophobicContact CG-CD1 3.63Å; E118-I134 HydrophobicContact CG-CG1 4.27Å; E118-I134 HydrophobicContact CG-CG2 3.99Å
119	H	96.3	Very high	94.8	Very high	87 Å²	87	57.2 Å²	57.2	40%	0.403	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-46.3	-178.1	67.4	-95.5	0	0	0	111.6	E117 L121 R122 D123	E117-H119 VanDerWaalsContact C-N 3.33Å; E117-H119 PolarHBondContact O-N 2.8Å; E117-H119 IonicContact OE2-CE1 3.92Å; E117-H119 PolarHBondContact OE2-CE1 3.09Å; E117-H119 IonicContact OE2-ND1 2.63Å; E117-H119 PolarHBondContact OE2-ND1 3.44Å; H119-L121 PolarHBondContact O-N 2.77Å; H119-L121 VanDerWaalsContact O-N 3.14Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.18Å; H119-R122 WeakPolarHBondContact O-CB 3.43Å; H119-R122 PolarHBondContact O-N 2.91Å; H119-D123 IonicContact CD2-OD2 2.68Å; H119-D123 WeakPolarHBondContact O-CB 3.09Å; H119-D123 PolarHBondContact O-N 2.76Å
120	H	96.1	Very high	94.8	Very high	45 Å²	45	63.5 Å²	63.5	21%	0.208	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-36.2	174.3	-57.8	95.2	0	0	0	113.8	T116 E117 E118 V170 N171	T116-H120 HydrophobicContact CG2-CB 4.21Å; E117-H120 PolarHBondContact N-ND1 3.41Å; E117-H120 VanDerWaalsContact N-ND1 3.18Å; E117-H120 PolarHBondContact O-N 2.98Å; E118-H120 PolarHBondContact O-N 2.63Å; H120-V170 HydrophobicContact CB-CG1 4.42Å; H120-V170 WeakPolarHBondContact O-CG1 3.43Å; H120-N171 HydrophobicContact CB-CB 4.22Å; H120-N171 PolarHBondContact CD2-OD1 3.49Å; H120-N171 VanDerWaalsContact CD2-OD1 3.22Å; H120-N171 PolarHBondContact NE2-OD1 3.04Å
121	L	96.3	Very high	94.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.7	-42.6	175.1	-68.5	167.4	0	0	0	111	V109 T116 E117 E118 H119 F125 I134 I136 A149 V170	V109-L121 HydrophobicContact CG1-CD2 4.06Å; T116-L121 HydrophobicContact CG2-CG 4.49Å; E117-L121 PolarHBondContact O-N 3.33Å; E118-L121 WeakPolarHBondContact O-CB 3.01Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.1Å; H119-L121 PolarHBondContact O-N 2.77Å; H119-L121 VanDerWaalsContact O-N 3.14Å; L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CD2 4.24Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 VanDerWaalsContact O-CB 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.25Å; L121-I134 HydrophobicContact CD1-CG2 3.71Å; L121-I136 HydrophobicContact CD1-CD1 3.83Å; L121-I136 HydrophobicContact CD1-CG1 3.66Å; L121-A149 HydrophobicContact CD1-CB 3.64Å; L121-V170 HydrophobicContact CD2-CG1 4.22Å
122	R	97	Very high	95.1	Very high	73 Å²	73	66.6 Å²	66.6	28%	0.275	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-58.9	178.7	-175.5	172.2	-67.1	-78.1	0.4	111.2	E118 H119 Y124 F125 E126 I131 I134	E118-R122 WeakPolarHBondContact O-CB 3.21Å; E118-R122 PolarHBondContact O-N 2.82Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.72Å; E118-R122 IonicContact OE1-NH2 2.68Å; E118-R122 PolarHBondContact OE1-NH2 2.83Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.18Å; H119-R122 WeakPolarHBondContact O-CB 3.43Å; H119-R122 PolarHBondContact O-N 2.91Å; R122-Y124 PolarHBondContact O-N 3.48Å; R122-Y124 VanDerWaalsContact O-N 3.12Å; R122-F125 PolarHBondContact O-N 2.68Å; R122-F125 VanDerWaalsContact O-N 3.11Å; R122-E126 WeakPolarHBondContact CG-OE2 3.48Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 WeakPolarHBondContact O-CB 3.09Å; R122-E126 PolarHBondContact O-N 3.05Å; R122-I131 HydrophobicContact CG-CD1 4.45Å; R122-I134 HydrophobicContact CB-CD1 3.73Å; R122-I134 HydrophobicContact CG-CD1 4.48Å
123	D	96.2	Very high	95.3	Very high	113 Å²	113	69.6 Å²	69.6	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-55.6	-34.9	-176.3	-55.1	-19.2	0	0	0	112.1	H119	H119-D123 IonicContact CD2-OD2 2.68Å; H119-D123 WeakPolarHBondContact O-CB 3.09Å; H119-D123 PolarHBondContact O-N 2.76Å
124	Y	96.2	Very high	95.5	Very high	50 Å²	50	65 Å²	65	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-82.3	-40.3	177.3	-174.7	-95.3	0	0	0	114	R122 Q127 Y128 H168 V170	R122-Y124 PolarHBondContact O-N 3.48Å; R122-Y124 VanDerWaalsContact O-N 3.12Å; Y124-Q127 VanDerWaalsContact O-CG 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.47Å; Y124-Q127 PolarHBondContact O-NE2 2.88Å; Y124-Y128 AromaticContact CE1-CE2 3.99Å; Y124-Y128 HydrophobicContact CE1-CE2 3.99Å; Y124-Y128 PolarHBondContact OH-OH 3.43Å; Y124-H168 HydrophobicContact CE1-CB 3.74Å; Y124-H168 AromaticContact CE1-CG 3.88Å; Y124-H168 AromaticContact CE1-ND1 3.47Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.42Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 PolarHBondContact OH-ND1 2.95Å; Y124-V170 HydrophobicContact CD1-CG2 3.55Å; Y124-V170 HydrophobicContact CD2-CG2 4.4Å; Y124-V170 HydrophobicContact CE1-CG2 3.98Å; Y124-V170 HydrophobicContact CG-CG2 3.79Å
125	F	96.8	Very high	95.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-89.2	-22.7	-173.2	-75	-59.1	0	0	0	113.9	I107 V109 L121 R122 Q127 Y128 I131 V151 F153 I162 V170 V177	I107-F125 HydrophobicContact CD1-CD1 3.92Å; I107-F125 HydrophobicContact CD1-CD2 4.4Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.27Å; I107-F125 HydrophobicContact CD1-CG 4.26Å; I107-F125 HydrophobicContact CD1-CZ 3.95Å; V109-F125 HydrophobicContact CG1-CE2 4.09Å; V109-F125 HydrophobicContact CG1-CZ 4.19Å; V109-F125 HydrophobicContact CG2-CE2 3.72Å; V109-F125 HydrophobicContact CG2-CZ 3.8Å; L121-F125 HydrophobicContact CB-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CD2 4.24Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 VanDerWaalsContact O-CB 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.4Å; L121-F125 WeakPolarHBondContact O-CD2 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; R122-F125 PolarHBondContact O-N 2.68Å; R122-F125 VanDerWaalsContact O-N 3.11Å; F125-Q127 PolarHBondContact O-N 2.98Å; F125-Y128 HydrophobicContact CD1-CD2 4.2Å; F125-Y128 HydrophobicContact CD1-CE2 4.28Å; F125-Y128 PolarHBondContact O-N 2.8Å; F125-Y128 VanDerWaalsContact O-N 3.08Å; F125-I131 HydrophobicContact CB-CD1 3.84Å; F125-V151 HydrophobicContact CD2-CG2 3.95Å; F125-V151 HydrophobicContact CE2-CG2 4.41Å; F125-F153 HydrophobicContact CB-CE1 4.35Å; F125-F153 HydrophobicContact CB-CZ 3.98Å; F125-F153 HydrophobicContact CG-CZ 4.49Å; F125-I162 HydrophobicContact CD1-CD1 3.7Å; F125-I162 HydrophobicContact CD1-CG1 4.35Å; F125-I162 HydrophobicContact CE1-CD1 4.23Å; F125-I162 HydrophobicContact CE1-CG2 3.98Å; F125-V170 HydrophobicContact CE2-CG2 4.34Å; F125-V170 HydrophobicContact CZ-CG2 4.35Å; F125-V177 HydrophobicContact CE1-CG2 4.39Å; F125-V177 HydrophobicContact CZ-CG2 3.98Å
126	E	96	Very high	95.9	Very high	101 Å²	101	62 Å²	62	47%	0.472	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.5	-179.1	-167.4	158.2	164.6	0	0	112.2	R122 Y128 G129 I131	R122-E126 WeakPolarHBondContact CG-OE2 3.48Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 WeakPolarHBondContact O-CB 3.09Å; R122-E126 PolarHBondContact O-N 3.05Å; E126-Y128 PolarHBondContact O-N 2.68Å; E126-Y128 VanDerWaalsContact O-N 3.17Å; E126-G129 PolarHBondContact O-N 2.72Å; E126-G129 VanDerWaalsContact O-N 3.14Å; E126-I131 HydrophobicContact CB-CD1 4.09Å
127	Q	94.9	Very high	95.9	Very high	130 Å²	130	64.4 Å²	64.4	61%	0.607	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.8	172.6	81	-172	-10.1	0	0	114	Y124 F125	Y124-Q127 VanDerWaalsContact O-CG 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.47Å; Y124-Q127 PolarHBondContact O-NE2 2.88Å; F125-Q127 PolarHBondContact O-N 2.98Å
128	Y	94.5	Very high	95.8	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.161	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-91.9	-17.8	178.2	-63.2	-83.9	0	0	0	112.9	Y124 F125 E126 K161 I162 H168	Y124-Y128 AromaticContact CE1-CE2 3.99Å; Y124-Y128 HydrophobicContact CE1-CE2 3.99Å; Y124-Y128 PolarHBondContact OH-OH 3.43Å; F125-Y128 HydrophobicContact CD1-CD2 4.2Å; F125-Y128 HydrophobicContact CD1-CE2 4.28Å; F125-Y128 PolarHBondContact O-N 2.8Å; F125-Y128 VanDerWaalsContact O-N 3.08Å; E126-Y128 PolarHBondContact O-N 2.68Å; E126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-K161 HydrophobicContact CD1-CB 4.12Å; Y128-K161 WeakPolarHBondContact O-CE 3.46Å; Y128-K161 PolarHBondContact O-NZ 3.27Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.84Å; Y128-I162 HydrophobicContact CD2-CG1 3.56Å; Y128-I162 HydrophobicContact CE1-CG1 4.04Å; Y128-I162 HydrophobicContact CE2-CG1 3.93Å; Y128-I162 HydrophobicContact CG-CD1 3.86Å; Y128-I162 HydrophobicContact CG-CG1 3.41Å; Y128-I162 VanDerWaalsContact CG-CG1 3.41Å; Y128-H168 PolarHBondContact OH-CE1 2.86Å; Y128-H168 PolarHBondContact OH-ND1 2.82Å
129	G	94.4	Very high	95.5	Very high	22 Å²	22	62.2 Å²	62.2	23%	0.227	31%	0.305	C	S	.	.	S	Bend	trans	152.9	168.2	-175.9	0	0	0	0	0	112.4	E126 I131 F153	E126-G129 PolarHBondContact O-N 2.72Å; E126-G129 VanDerWaalsContact O-N 3.14Å; G129-I131 PolarHBondContact O-N 2.73Å; G129-F153 WeakPolarHBondContact O-CD1 3.27Å
130	K	96.5	Very high	95.1	Very high	132 Å²	132	70.1 Å²	70.1	57%	0.574	33%	0.332	S	S	*	.			trans	-70.2	128.5	-170.5	174.4	-179.8	160.1	-149.1	0	112.1	F153 D154	K130-F153 VanDerWaalsContact O-CA 3.29Å; K130-F153 WeakPolarHBondContact O-CA 3.47Å; K130-D154 WeakPolarHBondContact CD-OD2 3.43Å; K130-D154 IonicContact NZ-OD2 3.92Å; K130-D154 PolarHBondContact O-N 3.07Å
131	I	97.5	Very high	94.7	Very high	12 Å²	12	71.7 Å²	71.7	6%	0.062	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	179.5	-61.8	171.9	0	0	0	110.2	R122 F125 E126 G129 I134 V151 F153	R122-I131 HydrophobicContact CG-CD1 4.45Å; F125-I131 HydrophobicContact CB-CD1 3.84Å; E126-I131 HydrophobicContact CB-CD1 4.09Å; G129-I131 PolarHBondContact O-N 2.73Å; I131-I134 HydrophobicContact CD1-CD1 4.3Å; I131-I134 HydrophobicContact CG2-CD1 4.06Å; I131-I134 HydrophobicContact CG2-CG1 3.67Å; I131-V151 HydrophobicContact CB-CG1 4.48Å; I131-V151 HydrophobicContact CD1-CG1 3.98Å; I131-V151 HydrophobicContact CG1-CG1 3.93Å; I131-V151 HydrophobicContact CG2-CG1 3.8Å; I131-F153 HydrophobicContact CD1-CE1 4.44Å; I131-F153 HydrophobicContact CG1-CD1 3.92Å; I131-F153 HydrophobicContact CG1-CE1 3.67Å; I131-F153 HydrophobicContact CG1-CZ 4.44Å
132	E	97.3	Very high	94.3	Very high	106 Å²	106	75 Å²	75	50%	0.495	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-48.6	170.9	-66	-175.7	159.4	0	0	111.8	T152 D154	E132-T152 PolarHBondContact N-O 2.96Å; E132-D154 HydrophobicContact CG-CB 4.04Å; E132-D154 WeakPolarHBondContact OE1-CA 3.45Å
133	V	96.8	Very high	93.9	Very high	68 Å²	68	74 Å²	74	41%	0.412	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.3	-170.9	-171.4	0	0	0	0	111.6	E135 T152	V133-E135 HydrophobicContact CG1-CG 4.22Å; V133-T152 PolarHBondContact N-O 2.87Å; V133-T152 VanDerWaalsContact N-O 3.17Å; V133-T152 PolarHBondContact O-N 3.14Å
134	I	96.9	Very high	93.6	Very high	18 Å²	18	74.4 Å²	74.4	9%	0.092	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.3	169.8	-58.8	175	0	0	0	108.8	E118 L121 R122 I131 I136 V151	E118-I134 HydrophobicContact CG-CB 3.87Å; E118-I134 HydrophobicContact CG-CD1 3.63Å; E118-I134 HydrophobicContact CG-CG1 4.27Å; E118-I134 HydrophobicContact CG-CG2 3.99Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.25Å; L121-I134 HydrophobicContact CD1-CG2 3.71Å; R122-I134 HydrophobicContact CB-CD1 3.73Å; R122-I134 HydrophobicContact CG-CD1 4.48Å; I131-I134 HydrophobicContact CD1-CD1 4.3Å; I131-I134 HydrophobicContact CG2-CD1 4.06Å; I131-I134 HydrophobicContact CG2-CG1 3.67Å; I134-I136 HydrophobicContact CG2-CG1 4.41Å; I134-V151 HydrophobicContact CG1-CG1 4.25Å; I134-V151 HydrophobicContact CG1-CG2 4.32Å; I134-V151 HydrophobicContact CG2-CG2 4.44Å
135	E	95.3	Very high	93.4	Very high	78 Å²	78	74.5 Å²	74.5	36%	0.364	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	97.2	179.7	-76.8	170.8	82.1	0	0	110.1	K106 V133 M137 A149 F150	K106-E135 WeakPolarHBondContact CE-OE2 3.49Å; K106-E135 IonicContact NZ-OE2 2.73Å; K106-E135 PolarHBondContact NZ-OE2 2.84Å; V133-E135 HydrophobicContact CG1-CG 4.22Å; E135-M137 HydrophobicContact CB-SD 4.36Å; E135-M137 PolarHBondContact O-N 3.02Å; E135-A149 CarbonylContact O-C 3.58Å; E135-A149 WeakPolarHBondContact O-CA 3.37Å; E135-A149 WeakPolarHBondContact O-CB 3.34Å; E135-F150 HydrophobicContact CB-CB 4.42Å; E135-F150 PolarHBondContact N-O 3.03Å; E135-F150 PolarHBondContact O-N 2.88Å
136	I	95.4	Very high	93.1	Very high	42 Å²	42	81 Å²	81	22%	0.215	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.1	171.4	-62.3	-179.4	0	0	0	108.7	L121 I134 T138 K145 A149	L121-I136 HydrophobicContact CD1-CD1 3.83Å; L121-I136 HydrophobicContact CD1-CG1 3.66Å; I134-I136 HydrophobicContact CG2-CG1 4.41Å; I136-T138 PolarHBondContact O-N 2.73Å; I136-K145 HydrophobicContact CG2-CB 4.42Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.99Å; I136-A149 HydrophobicContact CG1-CB 4.04Å
137	M	94	Very high	93	Very high	50 Å²	50	77.4 Å²	77.4	25%	0.246	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.1	-167.8	-64.2	-61.5	-58.3	0	0	111.1	E135 R146 F148 F150	E135-M137 HydrophobicContact CB-SD 4.36Å; E135-M137 PolarHBondContact O-N 3.02Å; M137-R146 VanDerWaalsContact O-CB 3.24Å; M137-R146 WeakPolarHBondContact O-CB 3.05Å; M137-R146 WeakPolarHBondContact O-CG 3.19Å; M137-R146 PolarHBondContact O-N 2.93Å; M137-F148 HydrophobicContact CB-CD2 3.92Å; M137-F148 HydrophobicContact CB-CE1 4.27Å; M137-F148 HydrophobicContact CB-CE2 3.68Å; M137-F148 HydrophobicContact CB-CG 4.36Å; M137-F148 HydrophobicContact CB-CZ 3.85Å; M137-F148 WeakPolarHBondContact CB-O 3.48Å; M137-F148 HydrophobicContact CG-CD2 3.75Å; M137-F148 HydrophobicContact CG-CE2 3.49Å; M137-F148 VanDerWaalsContact CG-CE2 3.49Å; M137-F148 HydrophobicContact CG-CZ 4.13Å; M137-F148 PolarHBondContact N-O 3Å; M137-F150 HydrophobicContact CG-CD2 3.85Å; M137-F150 HydrophobicContact CG-CE2 3.83Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.02Å
138	T	92.6	Very high	93	Very high	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	158.7	173.8	52.8	0	0	0	0	112.8	I136 G143 K144 K145 R146	I136-T138 PolarHBondContact O-N 2.73Å; T138-G143 WeakPolarHBondContact CG2-O 3.19Å; T138-K144 CarbonylContact C-O 3.49Å; T138-K144 VanDerWaalsContact CA-O 3.27Å; T138-K144 WeakPolarHBondContact CA-O 3.38Å; T138-K145 HydrophobicContact CG2-CG 4.28Å; T138-R146 VanDerWaalsContact C-CD 3.48Å; T138-R146 WeakPolarHBondContact O-CD 3.48Å
139	D	89.1	Confident	93.1	Very high	67 Å²	67	70.9 Å²	70.9	36%	0.358	38%	0.378	S	S	.	.			trans	-79.8	137.4	168.3	173.1	-111.6	0	0	0	110.6	G141 S142 G143 K144 R146	D139-G141 PolarHBondContact O-N 2.82Å; D139-G141 PolarHBondContact OD1-N 2.94Å; D139-G141 VanDerWaalsContact OD1-N 3.15Å; D139-S142 WeakPolarHBondContact CB-OG 3.29Å; D139-S142 WeakPolarHBondContact OD1-CB 3.28Å; D139-S142 PolarHBondContact OD1-N 3.2Å; D139-S142 PolarHBondContact OD1-OG 3.36Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 2.74Å; D139-K144 PolarHBondContact N-O 3.14Å; D139-R146 HydrophobicContact CB-CG 4.02Å
140	R	86.2	Confident	93.3	Very high	253 Å²	253	71.5 Å²	71.5	96%	0.955	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.4	-171.4	-70.5	-175.9	172.6	-165.2	-6.2	114.2
141	G	88.2	Confident	93.3	Very high	77 Å²	77	65.2 Å²	65.2	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-42.2	178	0	0	0	0	0	112.9	D139	D139-G141 PolarHBondContact O-N 2.82Å; D139-G141 PolarHBondContact OD1-N 2.94Å; D139-G141 VanDerWaalsContact OD1-N 3.15Å
142	S	88.8	Confident	93.3	Very high	71 Å²	71	65.6 Å²	65.6	50%	0.497	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-10.8	-173	62.7	0	0	0	0	115	D139 K144	D139-S142 WeakPolarHBondContact CB-OG 3.29Å; D139-S142 WeakPolarHBondContact OD1-CB 3.28Å; D139-S142 PolarHBondContact OD1-N 3.2Å; D139-S142 PolarHBondContact OD1-OG 3.36Å; S142-K144 PolarHBondContact O-N 3.46Å
143	G	87.7	Confident	93.4	Very high	51 Å²	51	60.6 Å²	60.6	53%	0.526	33%	0.326	S	S	.	.			trans	70.6	-9.1	-175	0	0	0	0	0	115	T138 D139	T138-G143 WeakPolarHBondContact CG2-O 3.19Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 2.74Å
144	K	89.6	Confident	93.3	Very high	121 Å²	121	60 Å²	60	53%	0.526	32%	0.321	S	S	.	.			trans	-64.9	143.9	-176.6	-68.6	-171.6	163.9	-135.8	0	112.5	E114 T138 D139 S142 R146	E114-K144 IonicContact OE1-NZ 3.86Å; T138-K144 CarbonylContact C-O 3.49Å; T138-K144 VanDerWaalsContact CA-O 3.27Å; T138-K144 WeakPolarHBondContact CA-O 3.38Å; D139-K144 PolarHBondContact N-O 3.14Å; S142-K144 PolarHBondContact O-N 3.46Å; K144-R146 PolarHBondContact O-N 2.88Å
145	K	91.9	Very high	93.2	Very high	52 Å²	52	60.8 Å²	60.8	23%	0.226	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.3	174.5	-60.7	178.7	-168.2	163.3	0	109	E114 T116 I136 T138 G147	E114-K145 WeakPolarHBondContact O-CD 3.37Å; E114-K145 WeakPolarHBondContact O-CE 3.25Å; E114-K145 PolarHBondContact O-NZ 3.17Å; T116-K145 WeakPolarHBondContact O-CD 3.37Å; T116-K145 WeakPolarHBondContact O-CE 3.32Å; T116-K145 PolarHBondContact O-NZ 2.88Å; I136-K145 HydrophobicContact CG2-CB 4.42Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.99Å; T138-K145 HydrophobicContact CG2-CG 4.28Å; K145-G147 PolarHBondContact O-N 2.88Å
146	R	92.3	Very high	93.2	Very high	138 Å²	138	57.9 Å²	57.9	52%	0.521	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	13.1	-173.2	-62.4	172.6	60.5	-163.9	-3.1	114.2	M137 T138 D139 K144 F148	M137-R146 VanDerWaalsContact O-CB 3.24Å; M137-R146 WeakPolarHBondContact O-CB 3.05Å; M137-R146 WeakPolarHBondContact O-CG 3.19Å; M137-R146 PolarHBondContact O-N 2.93Å; T138-R146 VanDerWaalsContact C-CD 3.48Å; T138-R146 WeakPolarHBondContact O-CD 3.48Å; D139-R146 HydrophobicContact CB-CG 4.02Å; K144-R146 PolarHBondContact O-N 2.88Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 HydrophobicContact CB-CD1 3.87Å; R146-F148 HydrophobicContact CB-CE1 3.64Å; R146-F148 WeakPolarHBondContact O-CD1 3.03Å; R146-F148 PolarHBondContact O-N 2.81Å
147	G	93.2	Very high	93.2	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.6	19.5	-176.1	0	0	0	0	0	115.1	G111 I112 K145	G111-G147 PolarHBondContact N-O 3.07Å; I112-G147 PolarHBondContact N-O 3.39Å; I112-G147 VanDerWaalsContact O-CA 3.23Å; I112-G147 WeakPolarHBondContact O-CA 3.45Å; K145-G147 PolarHBondContact O-N 2.88Å
148	F	95.4	Very high	93.3	Very high	35 Å²	35	53.8 Å²	53.8	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.9	171.2	69.9	-83.4	0	0	0	112.9	F108 V109 M137 R146 F150	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CD2-CD2 3.94Å; F108-F148 HydrophobicContact CE2-CB 3.67Å; F108-F148 AromaticContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CD2 3.44Å; F108-F148 VanDerWaalsContact CE2-CD2 3.44Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.87Å; F108-F148 HydrophobicContact CZ-CD2 4.44Å; F108-F148 HydrophobicContact CZ-CG 4.26Å; V109-F148 CarbonylContact O-C 3.57Å; V109-F148 WeakPolarHBondContact O-CA 3.5Å; V109-F148 WeakPolarHBondContact O-CB 3.43Å; M137-F148 HydrophobicContact CB-CD2 3.92Å; M137-F148 HydrophobicContact CB-CE1 4.27Å; M137-F148 HydrophobicContact CB-CE2 3.68Å; M137-F148 HydrophobicContact CB-CG 4.36Å; M137-F148 HydrophobicContact CB-CZ 3.85Å; M137-F148 WeakPolarHBondContact CB-O 3.48Å; M137-F148 HydrophobicContact CG-CD2 3.75Å; M137-F148 HydrophobicContact CG-CE2 3.49Å; M137-F148 VanDerWaalsContact CG-CE2 3.49Å; M137-F148 HydrophobicContact CG-CZ 4.13Å; M137-F148 PolarHBondContact N-O 3Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 HydrophobicContact CB-CD1 3.87Å; R146-F148 HydrophobicContact CB-CE1 3.64Å; R146-F148 WeakPolarHBondContact O-CD1 3.03Å; R146-F148 PolarHBondContact O-N 2.81Å; F148-F150 HydrophobicContact CD2-CE2 4.21Å; F148-F150 HydrophobicContact CD2-CZ 4.46Å; F148-F150 AromaticContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å
149	A	96.9	Very high	93.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	169.6	174.1	0	0	0	0	0	110.8	V109 I112 L121 E135 I136	V109-A149 PolarHBondContact N-O 2.71Å; V109-A149 PolarHBondContact O-N 2.83Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; L121-A149 HydrophobicContact CD1-CB 3.64Å; E135-A149 CarbonylContact O-C 3.58Å; E135-A149 WeakPolarHBondContact O-CA 3.37Å; E135-A149 WeakPolarHBondContact O-CB 3.34Å; I136-A149 HydrophobicContact CG1-CB 4.04Å
150	F	97.3	Very high	93.6	Very high	34 Å²	34	47.4 Å²	47.4	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.9	161	-59	-87.2	0	0	0	110.3	K106 I107 F108 E135 M137 F148 A180	K106-F150 HydrophobicContact CD-CB 4.42Å; K106-F150 HydrophobicContact CG-CB 4.28Å; K106-F150 HydrophobicContact CG-CD1 4.5Å; I107-F150 WeakPolarHBondContact O-CA 3.1Å; I107-F150 WeakPolarHBondContact O-CB 3.19Å; I107-F150 WeakPolarHBondContact O-CD1 3.29Å; F108-F150 HydrophobicContact CB-CD1 4.12Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CE1 3.89Å; F108-F150 HydrophobicContact CD2-CZ 4.15Å; F108-F150 HydrophobicContact CG-CE1 4.43Å; E135-F150 HydrophobicContact CB-CB 4.42Å; E135-F150 PolarHBondContact N-O 3.03Å; E135-F150 PolarHBondContact O-N 2.88Å; M137-F150 HydrophobicContact CG-CD2 3.85Å; M137-F150 HydrophobicContact CG-CE2 3.83Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.02Å; F148-F150 HydrophobicContact CD2-CE2 4.21Å; F148-F150 HydrophobicContact CD2-CZ 4.46Å; F148-F150 AromaticContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CE2 3.85Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 HydrophobicContact CE1-CB 3.99Å
151	V	97.7	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.4	169.4	-178.1	0	0	0	0	107.6	K106 I107 V109 F125 I131 I134 F153	K106-V151 CarbonylContact C-O 3.55Å; K106-V151 WeakPolarHBondContact CA-O 3.39Å; I107-V151 HydrophobicContact CD1-CB 3.97Å; I107-V151 HydrophobicContact CD1-CG2 4.37Å; I107-V151 HydrophobicContact CG1-CB 3.73Å; I107-V151 HydrophobicContact CG1-CG2 4.43Å; I107-V151 PolarHBondContact N-O 3.2Å; I107-V151 PolarHBondContact O-N 2.75Å; I107-V151 VanDerWaalsContact O-N 3.14Å; V109-V151 HydrophobicContact CG2-CG2 4.33Å; F125-V151 HydrophobicContact CD2-CG2 3.95Å; F125-V151 HydrophobicContact CE2-CG2 4.41Å; I131-V151 HydrophobicContact CB-CG1 4.48Å; I131-V151 HydrophobicContact CD1-CG1 3.98Å; I131-V151 HydrophobicContact CG1-CG1 3.93Å; I131-V151 HydrophobicContact CG2-CG1 3.8Å; I134-V151 HydrophobicContact CG1-CG1 4.25Å; I134-V151 HydrophobicContact CG1-CG2 4.32Å; I134-V151 HydrophobicContact CG2-CG2 4.44Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.46Å; V151-F153 HydrophobicContact CG1-CE1 4.41Å; V151-F153 HydrophobicContact CG1-CE2 3.94Å; V151-F153 HydrophobicContact CG1-CZ 3.91Å
152	T	97.8	Very high	94.2	Very high	21 Å²	21	34 Å²	34	13%	0.129	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.6	179.3	-44.5	0	0	0	0	108.5	K105 K106 E132 V133	K105-T152 CarbonylContact O-C 3.47Å; K105-T152 WeakPolarHBondContact O-CA 3.35Å; K106-T152 HydrophobicContact CB-CG2 4.41Å; K106-T152 WeakPolarHBondContact CD-OG1 3.36Å; K106-T152 WeakPolarHBondContact CE-OG1 3.47Å; E132-T152 PolarHBondContact N-O 2.96Å; V133-T152 PolarHBondContact N-O 2.87Å; V133-T152 VanDerWaalsContact N-O 3.17Å; V133-T152 PolarHBondContact O-N 3.14Å
153	F	98	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	166.3	179.6	-63	-89.8	0	0	0	111.3	K105 I107 F125 G129 K130 I131 V151 D155 V159 I162	K105-F153 WeakPolarHBondContact CB-O 3.42Å; K105-F153 PolarHBondContact O-N 2.79Å; I107-F153 HydrophobicContact CD1-CE2 3.9Å; I107-F153 HydrophobicContact CD1-CZ 4.3Å; I107-F153 HydrophobicContact CG1-CE2 4.01Å; F125-F153 HydrophobicContact CB-CE1 4.35Å; F125-F153 HydrophobicContact CB-CZ 3.98Å; F125-F153 HydrophobicContact CG-CZ 4.49Å; G129-F153 WeakPolarHBondContact O-CD1 3.27Å; K130-F153 VanDerWaalsContact O-CA 3.29Å; K130-F153 WeakPolarHBondContact O-CA 3.47Å; I131-F153 HydrophobicContact CD1-CE1 4.44Å; I131-F153 HydrophobicContact CG1-CD1 3.92Å; I131-F153 HydrophobicContact CG1-CE1 3.67Å; I131-F153 HydrophobicContact CG1-CZ 4.44Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.46Å; V151-F153 HydrophobicContact CG1-CE1 4.41Å; V151-F153 HydrophobicContact CG1-CE2 3.94Å; V151-F153 HydrophobicContact CG1-CZ 3.91Å; F153-D155 VanDerWaalsContact C-N 3.27Å; F153-D155 WeakPolarHBondContact CB-O 3.29Å; F153-V159 HydrophobicContact CD2-CG2 3.72Å; F153-V159 HydrophobicContact CE2-CG2 4.24Å; F153-I162 HydrophobicContact CE1-CD1 4.23Å; F153-I162 HydrophobicContact CE2-CD1 3.69Å; F153-I162 HydrophobicContact CZ-CD1 3.32Å
154	D	96.1	Very high	94.4	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	15%	0.154	S	C	.	.	S	Bend	trans	-75.2	-16.1	171.1	69.2	-17.2	0	0	0	113.4	K105 K130 E132	K105-D154 WeakPolarHBondContact CD-O 3.45Å; K105-D154 WeakPolarHBondContact CE-O 3.42Å; K105-D154 PolarHBondContact NZ-O 2.96Å; K130-D154 WeakPolarHBondContact CD-OD2 3.43Å; K130-D154 IonicContact NZ-OD2 3.92Å; K130-D154 PolarHBondContact O-N 3.07Å; E132-D154 HydrophobicContact CG-CB 4.04Å; E132-D154 WeakPolarHBondContact OE1-CA 3.45Å
155	D	94.9	Very high	94.2	Very high	36 Å²	36	31 Å²	31	19%	0.193	15%	0.151	C	C	.	.	S	Bend	trans	-140	158	179.1	-175.3	41.4	0	0	0	114.1	R75 F153 D157	R75-D155 IonicContact CZ-OD1 3.56Å; R75-D155 IonicContact CZ-OD2 3.82Å; R75-D155 VanDerWaalsContact CZ-OD2 3.24Å; R75-D155 VanDerWaalsContact NH1-CG 3.26Å; R75-D155 IonicContact NH1-OD1 2.6Å; R75-D155 PolarHBondContact NH1-OD1 3.1Å; R75-D155 IonicContact NH1-OD2 2.87Å; R75-D155 PolarHBondContact NH1-OD2 2.94Å; R75-D155 IonicContact NH2-OD1 2.66Å; R75-D155 IonicContact NH2-OD2 3.8Å; R75-D155 PolarHBondContact NH2-OD2 2.76Å; F153-D155 VanDerWaalsContact C-N 3.27Å; F153-D155 WeakPolarHBondContact CB-O 3.29Å; D155-D157 WeakPolarHBondContact OD2-CB 3.33Å; D155-D157 PolarHBondContact OD2-N 2.68Å
156	H	94.9	Very high	94	Very high	16 Å²	16	31.3 Å²	31.3	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-79.5	-22.6	176.9	74.8	87.4	0	0	0	113.7	R75 T103 S158 V159 D160	R75-H156 PolarHBondContact NH1-CD2 3.45Å; R75-H156 PolarHBondContact NH1-NE2 2.8Å; T103-H156 HydrophobicContact CG2-CB 3.79Å; H156-S158 VanDerWaalsContact C-N 3.27Å; H156-S158 PolarHBondContact O-N 2.99Å; H156-V159 WeakPolarHBondContact O-CA 3.38Å; H156-V159 WeakPolarHBondContact O-CB 3.42Å; H156-V159 PolarHBondContact O-N 3.28Å; H156-V159 VanDerWaalsContact O-N 3.07Å; H156-D160 IonicContact CE1-OD2 3.3Å; H156-D160 IonicContact CG-OD2 2.73Å; H156-D160 IonicContact ND1-OD2 3.02Å; H156-D160 PolarHBondContact ND1-OD2 3.05Å; H156-D160 PolarHBondContact O-N 3.11Å
157	D	95.1	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-37.3	177.9	-175.4	63.4	0	0	0	111.6	M72 R88 D155 V159 D160 K161	M72-D157 HydrophobicContact CE-CB 3.81Å; M72-D157 WeakPolarHBondContact CE-OD1 3.44Å; R88-D157 IonicContact CZ-OD1 3.24Å; R88-D157 VanDerWaalsContact CZ-OD1 3.3Å; R88-D157 IonicContact CZ-OD2 2.97Å; R88-D157 IonicContact NE-OD1 2.76Å; R88-D157 PolarHBondContact NE-OD1 3.44Å; R88-D157 IonicContact NE-OD2 3.98Å; R88-D157 VanDerWaalsContact NH2-CG 3.31Å; R88-D157 IonicContact NH2-OD1 2.88Å; R88-D157 PolarHBondContact NH2-OD1 3.13Å; R88-D157 IonicContact NH2-OD2 3.37Å; R88-D157 PolarHBondContact NH2-OD2 2.59Å; D155-D157 WeakPolarHBondContact OD2-CB 3.33Å; D155-D157 PolarHBondContact OD2-N 2.68Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.69Å; D157-D160 PolarHBondContact O-N 2.74Å; D157-K161 WeakPolarHBondContact O-CB 3.45Å; D157-K161 WeakPolarHBondContact O-CE 3.39Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.75Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 3.39Å
158	S	95.5	Very high	94.2	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-52.6	-46.7	171.1	-45.8	0	0	0	0	111	H156 I162	H156-S158 VanDerWaalsContact C-N 3.27Å; H156-S158 PolarHBondContact O-N 2.99Å; S158-I162 WeakPolarHBondContact O-CD1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.37Å; S158-I162 PolarHBondContact O-N 3.35Å
159	V	95.8	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-46.8	175.9	175.5	0	0	0	0	111.7	V104 K105 I107 F153 H156 D157 K161 I162 V163 K179	V104-V159 HydrophobicContact CG2-CG1 4.14Å; V104-V159 WeakPolarHBondContact O-CB 3.19Å; V104-V159 WeakPolarHBondContact O-CG2 3.45Å; K105-V159 VanDerWaalsContact C-CG2 3.41Å; I107-V159 HydrophobicContact CG2-CB 4.26Å; I107-V159 HydrophobicContact CG2-CG1 3.72Å; I107-V159 HydrophobicContact CG2-CG2 4.08Å; F153-V159 HydrophobicContact CD2-CG2 3.72Å; F153-V159 HydrophobicContact CE2-CG2 4.24Å; H156-V159 WeakPolarHBondContact O-CA 3.38Å; H156-V159 WeakPolarHBondContact O-CB 3.42Å; H156-V159 PolarHBondContact O-N 3.28Å; H156-V159 VanDerWaalsContact O-N 3.07Å; D157-V159 VanDerWaalsContact C-N 3.27Å; D157-V159 PolarHBondContact O-N 2.69Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å; V159-I162 PolarHBondContact O-N 3.42Å; V159-V163 HydrophobicContact CG1-CG1 4.09Å; V159-V163 WeakPolarHBondContact O-CG1 3.37Å; V159-V163 WeakPolarHBondContact O-CG2 3.2Å; V159-V163 PolarHBondContact O-N 2.81Å; V159-K179 HydrophobicContact CG1-CG 3.9Å
160	D	92.9	Very high	94	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-37.8	-177.6	-72.2	-37	0	0	0	111.8	R88 H156 D157 I164 K179	R88-D160 HydrophobicContact CB-CB 4.24Å; R88-D160 HydrophobicContact CG-CB 4.25Å; H156-D160 IonicContact CE1-OD2 3.3Å; H156-D160 IonicContact CG-OD2 2.73Å; H156-D160 IonicContact ND1-OD2 3.02Å; H156-D160 PolarHBondContact ND1-OD2 3.05Å; H156-D160 PolarHBondContact O-N 3.11Å; D157-D160 PolarHBondContact O-N 2.74Å; D160-I164 VanDerWaalsContact O-CD1 3.3Å; D160-I164 WeakPolarHBondContact O-CD1 3.28Å; D160-I164 VanDerWaalsContact O-CG1 3.32Å; D160-I164 WeakPolarHBondContact O-CG1 3.23Å; D160-K179 WeakPolarHBondContact OD1-CE 3.33Å; D160-K179 IonicContact OD1-NZ 2.77Å; D160-K179 PolarHBondContact OD1-NZ 2.77Å
161	K	92.4	Very high	93.8	Very high	48 Å²	48	32.7 Å²	32.7	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-51.1	170.5	-77.7	179.6	-67.1	-138.9	0	112.1	Y128 D157 V159	Y128-K161 HydrophobicContact CD1-CB 4.12Å; Y128-K161 WeakPolarHBondContact O-CE 3.46Å; Y128-K161 PolarHBondContact O-NZ 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.45Å; D157-K161 WeakPolarHBondContact O-CE 3.39Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.75Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 3.39Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å
162	I	94.2	Very high	93.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-53.9	-174.9	-69.4	164.3	0	0	0	110.3	I107 F125 Y128 F153 S158 V159 I164 Q165 H168 V177	I107-I162 HydrophobicContact CD1-CD1 4.13Å; I107-I162 HydrophobicContact CD1-CG2 4.32Å; I107-I162 HydrophobicContact CG2-CG2 4.5Å; F125-I162 HydrophobicContact CD1-CD1 3.7Å; F125-I162 HydrophobicContact CD1-CG1 4.35Å; F125-I162 HydrophobicContact CE1-CD1 4.23Å; F125-I162 HydrophobicContact CE1-CG2 3.98Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.84Å; Y128-I162 HydrophobicContact CD2-CG1 3.56Å; Y128-I162 HydrophobicContact CE1-CG1 4.04Å; Y128-I162 HydrophobicContact CE2-CG1 3.93Å; Y128-I162 HydrophobicContact CG-CD1 3.86Å; Y128-I162 HydrophobicContact CG-CG1 3.41Å; Y128-I162 VanDerWaalsContact CG-CG1 3.41Å; F153-I162 HydrophobicContact CE1-CD1 4.23Å; F153-I162 HydrophobicContact CE2-CD1 3.69Å; F153-I162 HydrophobicContact CZ-CD1 3.32Å; S158-I162 WeakPolarHBondContact O-CD1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.37Å; S158-I162 PolarHBondContact O-N 3.35Å; V159-I162 PolarHBondContact O-N 3.42Å; I162-I164 PolarHBondContact O-N 2.76Å; I162-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 VanDerWaalsContact O-O 3.04Å; I162-H168 PolarHBondContact O-NE2 3.48Å; I162-V177 HydrophobicContact CG2-CB 4.17Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å
163	V	92.6	Very high	93.3	Very high	27 Å²	27	37.1 Å²	37.1	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-7.2	-167.7	-57.8	0	0	0	0	115.4	I107 V159 Q165 K179	I107-V163 HydrophobicContact CG2-CG1 3.99Å; V159-V163 HydrophobicContact CG1-CG1 4.09Å; V159-V163 WeakPolarHBondContact O-CG1 3.37Å; V159-V163 WeakPolarHBondContact O-CG2 3.2Å; V159-V163 PolarHBondContact O-N 2.81Å; V163-Q165 VanDerWaalsContact C-N 3.31Å; V163-K179 HydrophobicContact CG1-CG 4.1Å; V163-K179 HydrophobicContact CG2-CG 4.16Å
164	I	87.4	Confident	93.1	Very high	56 Å²	56	41.8 Å²	41.8	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-37.9	167.2	-63.6	158.8	0	0	0	109.8	L13 R88 D160 I162	L13-I164 HydrophobicContact CD2-CD1 4.17Å; L13-I164 HydrophobicContact CD2-CG2 3.66Å; R88-I164 HydrophobicContact CB-CD1 4.26Å; D160-I164 VanDerWaalsContact O-CD1 3.3Å; D160-I164 WeakPolarHBondContact O-CD1 3.28Å; D160-I164 VanDerWaalsContact O-CG1 3.32Å; D160-I164 WeakPolarHBondContact O-CG1 3.23Å; I162-I164 PolarHBondContact O-N 2.76Å
165	Q	87.1	Confident	93	Very high	96 Å²	96	39.1 Å²	39.1	45%	0.449	21%	0.212	S	C	.	.	S	Bend	trans	-85.2	110.5	169.2	177.4	166	-15.7	0	0	108.8	I162 V163 Y167 H168	I162-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 VanDerWaalsContact O-O 3.04Å; V163-Q165 VanDerWaalsContact C-N 3.31Å; Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.33Å; Q165-Y167 PolarHBondContact NE2-O 3.32Å; Q165-Y167 PolarHBondContact O-N 3.03Å; Q165-H168 PolarHBondContact O-CD2 2.89Å; Q165-H168 PolarHBondContact O-NE2 3.35Å
166	K	87.2	Confident	93	Very high	59 Å²	59	39.7 Å²	39.7	26%	0.257	21%	0.213	S	C	.	.	S	Bend	trans	-66.2	-29.5	-178	-168.5	-178.6	-178.3	-133.9	0	113.1	E176 V177	K166-E176 WeakPolarHBondContact CE-OE1 3.48Å; K166-E176 VanDerWaalsContact CE-OE2 3.24Å; K166-E176 WeakPolarHBondContact CE-OE2 3.16Å; K166-E176 HydrophobicContact CG-CG 4.29Å; K166-E176 IonicContact NZ-OE1 3.69Å; K166-E176 PolarHBondContact NZ-OE1 3Å; K166-E176 IonicContact NZ-OE2 3.36Å; K166-E176 PolarHBondContact NZ-OE2 2.92Å; K166-E176 WeakPolarHBondContact O-CA 3.26Å; K166-V177 PolarHBondContact O-N 2.9Å
167	Y	93.8	Very high	93.1	Very high	110 Å²	110	39 Å²	39	43%	0.431	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122	-165.1	-72.1	-60.8	0	0	0	111.2	Q165 N174 C175 E176	Q165-Y167 VanDerWaalsContact C-N 3.26Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.33Å; Q165-Y167 PolarHBondContact NE2-O 3.32Å; Q165-Y167 PolarHBondContact O-N 3.03Å; Y167-N174 WeakPolarHBondContact CB-OD1 3.45Å; Y167-C175 WeakPolarHBondContact CA-O 3.05Å; Y167-E176 HydrophobicContact CD1-CB 4.27Å; Y167-E176 HydrophobicContact CE1-CB 3.94Å; Y167-E176 HydrophobicContact CE1-CG 4.33Å; Y167-E176 PolarHBondContact OH-OE2 3.03Å
168	H	95.4	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.3	-177.7	-66.3	-98.8	0	0	0	110.6	Y124 Y128 I162 Q165 V170 N174 C175 V177	Y124-H168 HydrophobicContact CE1-CB 3.74Å; Y124-H168 AromaticContact CE1-CG 3.88Å; Y124-H168 AromaticContact CE1-ND1 3.47Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.42Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 PolarHBondContact OH-ND1 2.95Å; Y128-H168 PolarHBondContact OH-CE1 2.86Å; Y128-H168 PolarHBondContact OH-ND1 2.82Å; I162-H168 PolarHBondContact O-NE2 3.48Å; Q165-H168 PolarHBondContact O-CD2 2.89Å; Q165-H168 PolarHBondContact O-NE2 3.35Å; H168-V170 HydrophobicContact CB-CG2 4.44Å; H168-N174 CarbonylContact O-C 3.48Å; H168-N174 WeakPolarHBondContact O-CA 3.39Å; H168-N174 PolarHBondContact O-OD1 3.47Å; H168-C175 PolarHBondContact N-O 3.43Å; H168-C175 PolarHBondContact O-N 2.92Å; H168-C175 PolarHBondContact O-SG 3.34Å; H168-V177 HydrophobicContact CB-CG2 4.27Å; H168-V177 VanDerWaalsContact CD2-CG2 3.41Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.41Å
169	T	94.9	Very high	92.9	Very high	87 Å²	87	44.6 Å²	44.6	53%	0.534	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109	175.3	-55.1	0	0	0	0	109.6	H173	T169-H173 CarbonylContact C-O 3.43Å; T169-H173 WeakPolarHBondContact CA-O 3.1Å
170	V	93.9	Very high	92.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130	179.7	-175.4	0	0	0	0	109	H120 L121 Y124 F125 H168 G172 H173	H120-V170 HydrophobicContact CB-CG1 4.42Å; H120-V170 WeakPolarHBondContact O-CG1 3.43Å; L121-V170 HydrophobicContact CD2-CG1 4.22Å; Y124-V170 HydrophobicContact CD1-CG2 3.55Å; Y124-V170 HydrophobicContact CD2-CG2 4.4Å; Y124-V170 HydrophobicContact CE1-CG2 3.98Å; Y124-V170 HydrophobicContact CG-CG2 3.79Å; F125-V170 HydrophobicContact CE2-CG2 4.34Å; F125-V170 HydrophobicContact CZ-CG2 4.35Å; H168-V170 HydrophobicContact CB-CG2 4.44Å; V170-G172 PolarHBondContact O-N 3.27Å; V170-H173 PolarHBondContact N-O 2.94Å; V170-H173 PolarHBondContact O-N 3.22Å
171	N	92.7	Very high	92.6	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.2	-170.4	-163.7	25.9	0	0	0	113.8	D115 T116 H120 H173	D115-N171 VanDerWaalsContact CG-ND2 3.28Å; D115-N171 PolarHBondContact OD1-ND2 2.74Å; T116-N171 HydrophobicContact CG2-CB 4.36Å; H120-N171 HydrophobicContact CB-CB 4.22Å; H120-N171 PolarHBondContact CD2-OD1 3.49Å; H120-N171 VanDerWaalsContact CD2-OD1 3.22Å; H120-N171 PolarHBondContact NE2-OD1 3.04Å; N171-H173 PolarHBondContact O-CD2 3.34Å; N171-H173 PolarHBondContact O-N 2.85Å; N171-H173 VanDerWaalsContact O-N 3.14Å; N171-H173 PolarHBondContact O-NE2 2.81Å
172	G	92.1	Very high	92.3	Very high	68 Å²	68	46.7 Å²	46.7	70%	0.701	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-6.3	-174.4	0	0	0	0	0	115.6	V170	V170-G172 PolarHBondContact O-N 3.27Å
173	H	91.7	Very high	91.8	Very high	47 Å²	47	55.3 Å²	55.3	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.7	179.4	-55.4	-61.3	0	0	0	111.5	K113 D115 T169 V170 N171 C175	K113-H173 HydrophobicContact CG-CB 4.4Å; K113-H173 VanDerWaalsContact CG-CE1 3.47Å; K113-H173 WeakPolarHBondContact CG-CE1 3.48Å; K113-H173 WeakPolarHBondContact CG-ND1 3.32Å; K113-H173 WeakPolarHBondContact CG-NE2 3.42Å; D115-H173 IonicContact OD1-CD2 3.5Å; D115-H173 PolarHBondContact OD1-CD2 3.39Å; D115-H173 IonicContact OD1-NE2 3.26Å; D115-H173 PolarHBondContact OD1-NE2 2.87Å; D115-H173 IonicContact OD2-CD2 3.78Å; D115-H173 IonicContact OD2-CE1 3.57Å; D115-H173 IonicContact OD2-NE2 2.76Å; D115-H173 PolarHBondContact OD2-NE2 2.75Å; T169-H173 CarbonylContact C-O 3.43Å; T169-H173 WeakPolarHBondContact CA-O 3.1Å; V170-H173 PolarHBondContact N-O 2.94Å; V170-H173 PolarHBondContact O-N 3.22Å; N171-H173 PolarHBondContact O-CD2 3.34Å; N171-H173 PolarHBondContact O-N 2.85Å; N171-H173 VanDerWaalsContact O-N 3.14Å; N171-H173 PolarHBondContact O-NE2 2.81Å; H173-C175 PolarHBondContact O-N 2.81Å
174	N	94	Very high	91.4	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.7	174.7	-175.9	25.7	0	0	0	110.9	Y167 H168	Y167-N174 WeakPolarHBondContact CB-OD1 3.45Å; H168-N174 CarbonylContact O-C 3.48Å; H168-N174 WeakPolarHBondContact O-CA 3.39Å; H168-N174 PolarHBondContact O-OD1 3.47Å
175	C	95	Very high	91.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.5	179.1	66.9	0	0	0	0	112.1	V109 G110 I112 Y167 H168 H173	V109-C175 HydrophobicContact CG1-CB 4.06Å; G110-C175 CarbonylContact O-C 3.58Å; G110-C175 WeakPolarHBondContact O-CA 3.45Å; G110-C175 VanDerWaalsContact O-CB 3.23Å; G110-C175 WeakPolarHBondContact O-CB 3.35Å; I112-C175 HydrophobicContact CG2-CB 4.03Å; Y167-C175 WeakPolarHBondContact CA-O 3.05Å; H168-C175 PolarHBondContact N-O 3.43Å; H168-C175 PolarHBondContact O-N 2.92Å; H168-C175 PolarHBondContact O-SG 3.34Å; H173-C175 PolarHBondContact O-N 2.81Å
176	E	95	Very high	90.8	Very high	48 Å²	48	62 Å²	62	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.6	171.6	178.9	165.5	151.3	0	0	109.5	G110 K166 Y167 R178	G110-E176 PolarHBondContact N-O 2.86Å; G110-E176 PolarHBondContact O-N 3.06Å; K166-E176 WeakPolarHBondContact CE-OE1 3.48Å; K166-E176 VanDerWaalsContact CE-OE2 3.24Å; K166-E176 WeakPolarHBondContact CE-OE2 3.16Å; K166-E176 HydrophobicContact CG-CG 4.29Å; K166-E176 IonicContact NZ-OE1 3.69Å; K166-E176 PolarHBondContact NZ-OE1 3Å; K166-E176 IonicContact NZ-OE2 3.36Å; K166-E176 PolarHBondContact NZ-OE2 2.92Å; K166-E176 WeakPolarHBondContact O-CA 3.26Å; Y167-E176 HydrophobicContact CD1-CB 4.27Å; Y167-E176 HydrophobicContact CE1-CB 3.94Å; Y167-E176 HydrophobicContact CE1-CG 4.33Å; Y167-E176 PolarHBondContact OH-OE2 3.03Å; E176-R178 HydrophobicContact CG-CG 4.23Å; E176-R178 WeakPolarHBondContact OE1-CD 2.83Å; E176-R178 IonicContact OE1-NH1 2.83Å; E176-R178 PolarHBondContact OE1-NH1 2.81Å; E176-R178 VanDerWaalsContact OE1-NH1 3.1Å
177	V	95.4	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	-178.8	-171.3	0	0	0	0	111.2	I107 F108 V109 F125 I162 K166 H168	I107-V177 HydrophobicContact CB-CG1 3.91Å; I107-V177 HydrophobicContact CD1-CG1 3.81Å; I107-V177 HydrophobicContact CG1-CG1 4.4Å; I107-V177 HydrophobicContact CG2-CG1 4.01Å; F108-V177 WeakPolarHBondContact O-CA 3.02Å; V109-V177 HydrophobicContact CG1-CG2 4.28Å; V109-V177 HydrophobicContact CG2-CG1 4.36Å; V109-V177 HydrophobicContact CG2-CG2 4.37Å; F125-V177 HydrophobicContact CE1-CG2 4.39Å; F125-V177 HydrophobicContact CZ-CG2 3.98Å; I162-V177 HydrophobicContact CG2-CB 4.17Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å; K166-V177 PolarHBondContact O-N 2.9Å; H168-V177 HydrophobicContact CB-CG2 4.27Å; H168-V177 VanDerWaalsContact CD2-CG2 3.41Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.41Å
178	R	92.9	Very high	89.9	Confident	103 Å²	103	60 Å²	60	39%	0.389	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.3	-173.9	-61.5	171.3	72	138.8	-9.5	111	I107 F108 E176 A180	I107-R178 CarbonylContact C-O 3.52Å; I107-R178 VanDerWaalsContact CA-O 3.3Å; I107-R178 WeakPolarHBondContact CA-O 2.93Å; F108-R178 PolarHBondContact N-O 3.45Å; F108-R178 PolarHBondContact O-N 2.91Å; E176-R178 HydrophobicContact CG-CG 4.23Å; E176-R178 WeakPolarHBondContact OE1-CD 2.83Å; E176-R178 IonicContact OE1-NH1 2.83Å; E176-R178 PolarHBondContact OE1-NH1 2.81Å; E176-R178 VanDerWaalsContact OE1-NH1 3.1Å; R178-A180 PolarHBondContact O-N 3.42Å
179	K	94.8	Very high	88.7	Confident	22 Å²	22	60.7 Å²	60.7	10%	0.096	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.7	165.2	-71.8	-170.8	171.2	-176	0	109.8	A100 L102 V104 V159 D160 V163 L181	A100-K179 WeakPolarHBondContact O-CE 3.29Å; A100-K179 PolarHBondContact O-NZ 3.21Å; L102-K179 PolarHBondContact O-NZ 3.43Å; V104-K179 HydrophobicContact CG2-CB 3.74Å; V104-K179 HydrophobicContact CG2-CD 4.04Å; V104-K179 HydrophobicContact CG2-CG 3.83Å; V159-K179 HydrophobicContact CG1-CG 3.9Å; D160-K179 WeakPolarHBondContact OD1-CE 3.33Å; D160-K179 IonicContact OD1-NZ 2.77Å; D160-K179 PolarHBondContact OD1-NZ 2.77Å; V163-K179 HydrophobicContact CG1-CG 4.1Å; V163-K179 HydrophobicContact CG2-CG 4.16Å; K179-L181 PolarHBondContact O-N 2.69Å
180	A	93.6	Very high	87.1	Confident	13 Å²	13	59.9 Å²	59.9	11%	0.107	33%	0.333	C	S	.	.			trans	-76	115.8	178.3	0	0	0	0	0	110	K106 F150 R178	K106-A180 HydrophobicContact CB-CB 3.96Å; K106-A180 HydrophobicContact CD-CB 4.43Å; K106-A180 HydrophobicContact CG-CB 3.81Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 3.2Å; K106-A180 PolarHBondContact O-N 2.8Å; F150-A180 HydrophobicContact CD1-CB 3.85Å; F150-A180 HydrophobicContact CE1-CB 3.99Å; R178-A180 PolarHBondContact O-N 3.42Å
181	L	89.7	Confident	85.4	Confident	31 Å²	31	63.4 Å²	63.4	16%	0.162	36%	0.358	C	S	.	.			trans	-86.3	143.9	173.3	-58.6	-177.2	0	0	0	110.1	L102 K179 E185 M186 A189	L102-L181 HydrophobicContact CD1-CD2 3.69Å; K179-L181 PolarHBondContact O-N 2.69Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.43Å; L181-M186 HydrophobicContact CB-CG 3.7Å; L181-A189 HydrophobicContact CD1-CB 4.31Å
182	S	85.3	Confident	83.4	Confident	53 Å²	53	64.1 Å²	64.1	37%	0.371	37%	0.368	S	S	.	.			trans	-63.4	166.6	169.6	71.3	0	0	0	0	111.4	Q184 E185 M186	S182-Q184 PolarHBondContact O-N 3.41Å; S182-E185 WeakPolarHBondContact CA-OE2 3.46Å; S182-E185 WeakPolarHBondContact CB-OE2 3.16Å; S182-E185 PolarHBondContact N-OE2 3.37Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 2.85Å; S182-E185 PolarHBondContact OG-OE2 3.13Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 3.08Å
183	K	84.1	Confident	81.5	Confident	182 Å²	182	68.2 Å²	68.2	79%	0.791	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-30.2	176.8	-64.4	179.5	-176.7	171.7	0	113.1	M186 A187	K183-M186 HydrophobicContact CG-CE 4.38Å; K183-A187 PolarHBondContact O-N 3.22Å
184	Q	84	Confident	79.3	Confident	164 Å²	164	76.6 Å²	76.6	77%	0.766	40%	0.399	S	S	*	.	H	α-helix	trans	-75.4	-44.6	177.6	-68.6	177.1	-13.8	0	0	111	S182 A187 S188	S182-Q184 PolarHBondContact O-N 3.41Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 2.66Å; Q184-A187 VanDerWaalsContact O-N 3.13Å; Q184-S188 PolarHBondContact O-N 3.12Å; Q184-S188 PolarHBondContact O-OG 3.07Å
185	E	82	Confident	77.2	Confident	66 Å²	66	75.1 Å²	75.1	31%	0.308	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-35.4	176.3	-68.3	160.1	122.4	0	0	112.5	L102 L181 S182 A187 S188 A189	L102-E185 VanDerWaalsContact CD1-OE1 3.25Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.17Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.43Å; S182-E185 WeakPolarHBondContact CA-OE2 3.46Å; S182-E185 WeakPolarHBondContact CB-OE2 3.16Å; S182-E185 PolarHBondContact N-OE2 3.37Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 2.85Å; S182-E185 PolarHBondContact OG-OE2 3.13Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.25Å; E185-S188 PolarHBondContact O-OG 3.46Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.37Å
186	M	80.3	Confident	75	Confident	88 Å²	88	86.3 Å²	86.3	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-35	170.7	-73.5	-166.6	-74	0	0	112.3	L181 S182 K183 S190	L181-M186 HydrophobicContact CB-CG 3.7Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 3.08Å; K183-M186 HydrophobicContact CG-CE 4.38Å; M186-S190 VanDerWaalsContact O-CB 3.28Å; M186-S190 WeakPolarHBondContact O-CB 3.41Å; M186-S190 PolarHBondContact O-N 3.36Å; M186-S190 PolarHBondContact O-OG 3.39Å
187	A	82.7	Confident	72.4	Confident	60 Å²	60	89.4 Å²	89.4	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-70.3	-43.1	177.8	0	0	0	0	0	112.1	K183 Q184 E185 S190 S191	K183-A187 PolarHBondContact O-N 3.22Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 2.66Å; Q184-A187 VanDerWaalsContact O-N 3.13Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.25Å; A187-S190 PolarHBondContact O-N 3.11Å; A187-S191 PolarHBondContact O-N 2.98Å; A187-S191 PolarHBondContact O-OG 3.38Å
188	S	77.9	Confident	69.8	Low	68 Å²	68	93 Å²	93	48%	0.476	51%	0.513	S	S	.	.	H	α-helix	trans	-72.1	-34	176.3	59.8	0	0	0	0	113.2	Q184 E185 S190 S191 S192	Q184-S188 PolarHBondContact O-N 3.12Å; Q184-S188 PolarHBondContact O-OG 3.07Å; E185-S188 PolarHBondContact O-OG 3.46Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.3Å; S188-S191 PolarHBondContact O-OG 2.6Å; S188-S192 PolarHBondContact O-N 3.37Å; S188-S192 PolarHBondContact O-OG 3.47Å
189	A	71	Confident	67.4	Low	14 Å²	14	94.2 Å²	94.2	12%	0.116	54%	0.537	C	S	.	.	H	α-helix	trans	-64.7	-33.5	170.2	0	0	0	0	0	112.4	P98 L181 E185 S192	P98-A189 HydrophobicContact CB-CB 3.56Å; P98-A189 HydrophobicContact CG-CB 3.96Å; L181-A189 HydrophobicContact CD1-CB 4.31Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.37Å; A189-S192 PolarHBondContact O-OG 3.29Å; A189-S192 VanDerWaalsContact O-OG 3.1Å
190	S	61.7	Low	64.8	Low	70 Å²	70	95.7 Å²	95.7	49%	0.49	56%	0.558	S	S	.	*	H	α-helix	trans	-79.3	-36	179.1	-60.3	0	0	0	0	113.4	M186 A187 S188 R194	M186-S190 VanDerWaalsContact O-CB 3.28Å; M186-S190 WeakPolarHBondContact O-CB 3.41Å; M186-S190 PolarHBondContact O-N 3.36Å; M186-S190 PolarHBondContact O-OG 3.39Å; A187-S190 PolarHBondContact O-N 3.11Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.3Å; S190-R194 PolarHBondContact O-N 1.8Å
191	S	57	Low	62.3	Low	77 Å²	77	102.9 Å²	102.9	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-39.6	178.5	62.5	0	0	0	0	112.3	A187 S188 Q193 R194 G195	A187-S191 PolarHBondContact O-N 2.98Å; A187-S191 PolarHBondContact O-OG 3.38Å; S188-S191 PolarHBondContact O-OG 2.6Å; S191-Q193 VanDerWaalsContact C-N 3.3Å; S191-Q193 PolarHBondContact O-N 3.24Å; S191-R194 PolarHBondContact O-N 3.06Å; S191-R194 VanDerWaalsContact O-N 3.17Å; S191-G195 PolarHBondContact O-N 3.44Å; S191-G195 VanDerWaalsContact O-N 3.15Å
192	S	52.3	Low	60	Low	75 Å²	75	110.9 Å²	110.9	52%	0.524	63%	0.629	S	S	.	*	H	α-helix	trans	-63.2	-29.9	178.2	47.8	0	0	0	0	113.7	S188 A189	S188-S192 PolarHBondContact O-N 3.37Å; S188-S192 PolarHBondContact O-OG 3.47Å; A189-S192 PolarHBondContact O-OG 3.29Å; A189-S192 VanDerWaalsContact O-OG 3.1Å
193	Q	51.4	Low	57.9	Low	155 Å²	155	112.1 Å²	112.1	72%	0.724	65%	0.65	S	S	*	*	H	α-helix	trans	-79.1	-30.7	172.7	-70	-166.8	-33.7	0	0	113.8	S191	S191-Q193 VanDerWaalsContact C-N 3.3Å; S191-Q193 PolarHBondContact O-N 3.24Å
194	R	46.1	Very low	56	Low	223 Å²	223	106.8 Å²	106.8	84%	0.842	65%	0.647	S	S	*	*	H	α-helix	trans	-80.2	-15	178.1	-76.1	-176	171.2	176.4	-2.7	114.4	S190 S191	S190-R194 PolarHBondContact O-N 1.8Å; S191-R194 PolarHBondContact O-N 3.06Å; S191-R194 VanDerWaalsContact O-N 3.17Å
195	G	48.5	Very low	53.8	Low	65 Å²	65	102.2 Å²	102.2	67%	0.67	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-10.3	-179.2	0	0	0	0	0	116.4	S191	S191-G195 PolarHBondContact O-N 3.44Å; S191-G195 VanDerWaalsContact O-N 3.15Å
196	R	49	Very low	51.9	Low	236 Å²	236	111.4 Å²	111.4	89%	0.891	68%	0.676	S	S	*	*	S	Bend	trans	-112.8	8.3	-167.3	-145.2	175.1	-174.6	172.4	1.8	116
197	S	41.1	Very low	50	Low	112 Å²	112	111.3 Å²	111.3	78%	0.783	70%	0.697	S	S	*	*	S	Bend	trans	-144.2	117.9	169.6	-173.5	0	0	0	0	109.2
198	G	40.6	Very low	47.9	Very low	77 Å²	77	112.7 Å²	112.7	79%	0.794	72%	0.717	S	S	*	*			trans	107.1	19	172.5	0	0	0	0	0	118.4	G200	G198-G200 PolarHBondContact O-N 2.67Å
199	S	43.3	Very low	46	Very low	127 Å²	127	113.2 Å²	113.2	89%	0.888	73%	0.733	S	S	*	*			trans	-79.9	69	157.4	-164.1	0	0	0	0	109.8
200	G	39.8	Very low	44.5	Very low	54 Å²	54	123.2 Å²	123.2	56%	0.557	78%	0.775	S	S	*	*			trans	-70.7	127.9	172	0	0	0	0	0	109.5	G198 F202	G198-G200 PolarHBondContact O-N 2.67Å; G200-F202 PolarHBondContact O-N 2.66Å
201	N	40.8	Very low	43.6	Very low	163 Å²	163	123.7 Å²	123.7	87%	0.872	79%	0.79	S	S	*	*			trans	-73.5	69.3	-174.7	-171.2	80.9	0	0	0	112.4
202	F	42	Very low	42.8	Very low	199 Å²	199	123.6 Å²	123.6	87%	0.873	80%	0.802	S	S	*	*			trans	-107.9	55.4	176	-84.5	-81.5	0	0	0	111.5	G200 G204	G200-F202 PolarHBondContact O-N 2.66Å; F202-G204 PolarHBondContact O-N 2.97Å
203	G	40.9	Very low	42.1	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	81%	0.813	S	S	*	*			trans	-69	38.6	160.7	0	0	0	0	0	113.1	G205	G203-G205 PolarHBondContact O-N 3.46Å
204	G	42.6	Very low	41.8	Very low	70 Å²	70	127 Å²	127	72%	0.722	82%	0.819	S	S	*	*			trans	-83.8	92.2	177.9	0	0	0	0	0	109.9	F202	F202-G204 PolarHBondContact O-N 2.97Å
205	G	39	Very low	41.7	Very low	69 Å²	69	122 Å²	122	71%	0.711	81%	0.809	S	S	*	*			trans	-71.5	154.3	-166.9	0	0	0	0	0	115.7	G203	G203-G205 PolarHBondContact O-N 3.46Å
206	R	41.7	Very low	41.4	Very low	259 Å²	259	128.6 Å²	128.6	98%	0.977	82%	0.82	S	S	*	*			trans	-162.8	120	157.8	-107.5	167.8	-169.4	-162.8	2.2	111.3
207	G	41.1	Very low	41	Very low	86 Å²	86	120.8 Å²	120.8	89%	0.887	81%	0.812	S	S	*	*			trans	97.5	134.5	157.7	0	0	0	0	0	117.7
208	G	38.5	Very low	41	Very low	89 Å²	89	127.8 Å²	127.8	92%	0.918	82%	0.821	S	S	*	*			trans	112.1	100.5	165.2	0	0	0	0	0	115.1
209	G	38.5	Very low	40.9	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.822	S	S	*	*			trans	160.2	67.8	175.3	0	0	0	0	0	114.9
210	F	39.4	Very low	40.7	Very low	225 Å²	225	125.4 Å²	125.4	99%	0.987	82%	0.816	S	S	*	*			trans	-85.2	132.9	167.4	-78.1	-95.2	0	0	0	110.2
211	G	42.1	Very low	40.5	Very low	79 Å²	79	129.4 Å²	129.4	81%	0.814	83%	0.825	S	S	*	*			trans	142.5	150.4	169.7	0	0	0	0	0	113.6
212	G	39.6	Very low	40.4	Very low	76 Å²	76	130.5 Å²	130.5	78%	0.784	82%	0.822	S	S	*	*			trans	97.4	85.6	179	0	0	0	0	0	113.5
213	N	39.1	Very low	40.3	Very low	141 Å²	141	126.3 Å²	126.3	75%	0.754	82%	0.818	S	S	*	*			trans	-107.5	93.1	170.7	174.2	98.5	0	0	0	108.4
214	D	44.8	Very low	40.3	Very low	161 Å²	161	126.1 Å²	126.1	86%	0.861	82%	0.816	S	S	*	*			trans	-112.7	136.4	173.3	-77.1	-66.9	0	0	0	110.7
215	N	42.7	Very low	40.2	Very low	118 Å²	118	135 Å²	135	63%	0.631	83%	0.828	S	S	*	*			trans	-105.1	-176.4	-166.9	-124.7	-49.8	0	0	0	111.1
216	F	42.7	Very low	40.2	Very low	203 Å²	203	135.6 Å²	135.6	89%	0.89	83%	0.834	S	S	*	*			trans	71.8	127.7	171.8	-37.9	-76.5	0	0	0	115.8
217	G	41.5	Very low	40.1	Very low	71 Å²	71	126.7 Å²	126.7	73%	0.732	82%	0.823	S	S	*	*			cis	169.8	145.2	-11.4	0	0	0	0	0	114.4
218	R	40.8	Very low	40.2	Very low	260 Å²	260	133.1 Å²	133.1	98%	0.981	83%	0.827	S	S	*	*			trans	46.3	120.1	158	-61.6	-175.1	177.2	-149	0.4	120.8
219	G	37.9	Very low	40.2	Very low	79 Å²	79	132.4 Å²	132.4	81%	0.814	82%	0.82	S	S	*	*				125.8	137.5	123	0	0	0	0	0	118.5
220	G	38.6	Very low	40.3	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	82%	0.818	S	S	*	*			trans	73.8	106.2	172.2	0	0	0	0	0	114.3
221	N	35.7	Very low	40.4	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	81%	0.808	S	S	*	*			cis	66.3	99.6	22.6	-156.8	45.4	0	0	0	114.9
222	F	40.2	Very low	40.3	Very low	185 Å²	185	134.5 Å²	134.5	81%	0.811	81%	0.812	S	S	*	*				-172.4	126.2	125.6	-109.6	-73.1	0	0	0	114.6
223	S	38.5	Very low	40.2	Very low	111 Å²	111	135 Å²	135	78%	0.776	82%	0.818	S	S	*	*			trans	45.6	121.2	150.1	57.7	0	0	0	0	123.2
224	G	41.7	Very low	40.2	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	82%	0.822	S	S	*	*			trans	175.1	60.4	163.7	0	0	0	0	0	114.1
225	R	41	Very low	39.7	Very low	256 Å²	256	128.6 Å²	128.6	97%	0.966	82%	0.823	S	S	*	*				81.3	99.4	99.1	-168.5	-171.5	-171.7	-165.5	3.4	115.2
226	G	38.4	Very low	39.4	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	83%	0.829	S	S	*	*			trans	96.9	137	166.8	0	0	0	0	0	114.1
227	G	39.4	Very low	39.1	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	83%	0.829	S	S	*	*			cis	-165.5	176.1	-1.7	0	0	0	0	0	113.8
228	F	42.6	Very low	39	Very low	220 Å²	220	128 Å²	128	97%	0.965	83%	0.833	S	S	*	*			trans	-45.5	155.2	178.6	-45.6	-94.6	0	0	0	115.1
229	G	40	Very low	38.9	Very low	74 Å²	74	119 Å²	119	76%	0.763	82%	0.82	S	S	*	*			cis	154	162.1	-1.3	0	0	0	0	0	112.2
230	G	39.5	Very low	39	Very low	74 Å²	74	121.5 Å²	121.5	76%	0.763	83%	0.826	S	S	*	*			trans	80.1	122.6	178.1	0	0	0	0	0	113.8
231	S	41.9	Very low	39.2	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	83%	0.826	S	S	*	*			cis	102.6	104.9	32.7	-73.2	0	0	0	0	113.8
232	R	39.8	Very low	39.5	Very low	242 Å²	242	120.7 Å²	120.7	91%	0.913	82%	0.821	S	S	*	*			trans	58.6	102.2	142.1	-56.4	-179.8	-177.1	-173.6	-0.1	119.2
233	G	37.3	Very low	39.6	Very low	87 Å²	87	115.7 Å²	115.7	90%	0.897	82%	0.822	S	S	*	*				79.5	129.7	104.5	0	0	0	0	0	119.5
234	G	38.4	Very low	39.7	Very low	82 Å²	82	118.6 Å²	118.6	85%	0.845	82%	0.817	S	S	*	*			trans	164.7	128.3	171.9	0	0	0	0	0	109.6
235	G	35.4	Very low	39.7	Very low	85 Å²	85	122.1 Å²	122.1	88%	0.876	82%	0.819	S	S	*	*			trans	-90.1	154.3	178.8	0	0	0	0	0	112.4
236	G	36.4	Very low	39.7	Very low	73 Å²	73	113.6 Å²	113.6	75%	0.753	81%	0.81	S	S	*	*			trans	-150.2	131.6	179.8	0	0	0	0	0	112.1
237	Y	35.7	Very low	39.8	Very low	227 Å²	227	119.7 Å²	119.7	89%	0.89	81%	0.813	S	S	*	*			trans	-79.9	162.9	-178.6	38.9	-94.1	0	0	0	113
238	G	39.8	Very low	40	Very low	80 Å²	80	119.6 Å²	119.6	83%	0.825	81%	0.812	S	S	*	*			trans	97.7	152	165.7	0	0	0	0	0	115.4
239	G	39.7	Very low	39.9	Very low	69 Å²	69	116.1 Å²	116.1	71%	0.711	80%	0.804	S	S	*	*			cis	156.2	117.6	-8.1	0	0	0	0	0	113.5
240	S	39.8	Very low	40.2	Very low	133 Å²	133	119.4 Å²	119.4	93%	0.93	80%	0.804	S	S	*	*			trans	61.8	156.2	176.1	-58.9	0	0	0	0	117.1
241	G	42.4	Very low	40.2	Very low	75 Å²	75	119.8 Å²	119.8	77%	0.773	81%	0.808	S	S	*	*			trans	154.2	60.2	-174.8	0	0	0	0	0	113.1
242	D	41.4	Very low	40.1	Very low	120 Å²	120	118 Å²	118	64%	0.642	81%	0.808	S	S	*	*			trans	-64.4	149.1	-175.1	-58.7	-107.5	0	0	0	114.4	Y244	D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.53Å; D242-Y244 HydrophobicContact CB-CE2 4.36Å; D242-Y244 WeakPolarHBondContact CB-OH 3.48Å
243	G	42.7	Very low	40.2	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	81%	0.808	S	S	*	*			trans	-153.5	88.4	178	0	0	0	0	0	112
244	Y	40.6	Very low	40.4	Very low	171 Å²	171	117.1 Å²	117.1	67%	0.671	80%	0.803	S	S	*	*			trans	-94.1	168	-175.4	-7.6	-99	0	0	0	113.8	D242	D242-Y244 HydrophobicContact CB-CD1 4.37Å; D242-Y244 HydrophobicContact CB-CE1 3.53Å; D242-Y244 HydrophobicContact CB-CE2 4.36Å; D242-Y244 WeakPolarHBondContact CB-OH 3.48Å
245	N	41.6	Very low	40.4	Very low	151 Å²	151	117.2 Å²	117.2	81%	0.807	80%	0.804	S	S	*	*			trans	92.5	124.1	166.5	-50	-57.9	0	0	0	117.1
246	G	40.5	Very low	40.6	Very low	76 Å²	76	117.4 Å²	117.4	78%	0.784	81%	0.806	S	S	*	*			trans	162.6	53.2	178.8	0	0	0	0	0	113.5
247	F	42.1	Very low	40.9	Very low	210 Å²	210	117.4 Å²	117.4	92%	0.921	81%	0.806	S	S	*	*			trans	-87.2	145.1	-179.1	-75.9	-86.5	0	0	0	112.9
248	G	42.5	Very low	41.3	Very low	70 Å²	70	112.8 Å²	112.8	72%	0.722	80%	0.804	S	S	*	*			trans	106.9	147.6	172.3	0	0	0	0	0	114
249	N	40.7	Very low	41.1	Very low	148 Å²	148	112.8 Å²	112.8	79%	0.791	80%	0.804	S	S	*	*			cis	-155.5	144.6	-3.5	-174.4	-113.3	0	0	0	110.8
250	D	45.6	Very low	41.1	Very low	142 Å²	142	120.7 Å²	120.7	76%	0.759	81%	0.814	S	S	*	*			trans	32.1	134.1	160.8	-70	-127.2	0	0	0	124.5
251	G	40.4	Very low	41	Very low	83 Å²	83	120.4 Å²	120.4	86%	0.856	81%	0.812	S	S	*	*			trans	102.1	130	138.5	0	0	0	0	0	118.1
252	G	39.3	Very low	40.7	Very low	74 Å²	74	120.6 Å²	120.6	76%	0.763	81%	0.814	S	S	*	*			cis	169.3	-8.8	-4.4	0	0	0	0	0	118
253	Y	42.3	Very low	40.6	Very low	232 Å²	232	118.2 Å²	118.2	91%	0.91	82%	0.818	S	S	*	*			trans	-160.8	152.8	-178.6	45.7	-96.3	0	0	0	112.1
254	G	40.7	Very low	40.3	Very low	78 Å²	78	120.6 Å²	120.6	80%	0.804	82%	0.822	S	S	*	*			cis	153.9	87.6	-6	0	0	0	0	0	113.3
255	G	39.3	Very low	40.3	Very low	84 Å²	84	122.8 Å²	122.8	87%	0.866	83%	0.829	S	S	*	*			trans	93.7	136.8	177	0	0	0	0	0	114.3
256	G	39.6	Very low	40.1	Very low	89 Å²	89	119.3 Å²	119.3	92%	0.918	83%	0.829	S	S	*	*			cis	111.3	87.4	-4.5	0	0	0	0	0	113.8
257	G	41.6	Very low	40.1	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	83%	0.831	S	S	*	*			trans	-164.6	144.3	171.4	0	0	0	0	0	111.1
258	P	44.3	Very low	39.9	Very low	130 Å²	130	119.5 Å²	119.5	84%	0.844	83%	0.826	S	S	*	*			trans	-97.4	157.2	-158.8	-1.1	23	0	0	0	114.3
259	G	36	Very low	39.8	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	84%	0.835	S	S	*	*			trans	-79.8	162.3	169	0	0	0	0	0	113.2
260	Y	39.2	Very low	39.7	Very low	234 Å²	234	118.8 Å²	118.8	92%	0.918	83%	0.833	S	S	*	*			trans	-117.1	143.5	172.2	52.1	-91.4	0	0	0	110.9
261	S	37.4	Very low	39.5	Very low	127 Å²	127	115.6 Å²	115.6	89%	0.888	83%	0.834	S	S	*	*			trans	-137.9	149.3	178.9	-179.1	0	0	0	0	110.3
262	G	37.4	Very low	39.5	Very low	80 Å²	80	119.4 Å²	119.4	83%	0.825	83%	0.83	S	S	*	*			trans	87.1	153	172.7	0	0	0	0	0	115.1
263	G	38.1	Very low	39.3	Very low	70 Å²	70	119.1 Å²	119.1	72%	0.722	83%	0.826	S	S	*	*			trans	151.1	29.3	173.5	0	0	0	0	0	118.6	R265	G263-R265 PolarHBondContact O-N 3.24Å
264	S	37.4	Very low	39.2	Very low	131 Å²	131	118.6 Å²	118.6	92%	0.916	82%	0.824	S	S	*	*			trans	-60.5	110.7	174.9	-60.5	0	0	0	0	111.9
265	R	40.5	Very low	39	Very low	216 Å²	216	118.6 Å²	118.6	82%	0.815	82%	0.824	S	S	*	*			trans	-143.4	131.7	163.4	-62.2	-176.9	-176	166.8	1.4	107.5	G263 Y267	G263-R265 PolarHBondContact O-N 3.24Å; R265-Y267 HydrophobicContact CB-CD1 4.27Å; R265-Y267 HydrophobicContact CB-CE1 4.15Å
266	G	36.3	Very low	39	Very low	79 Å²	79	122.3 Å²	122.3	81%	0.814	82%	0.824	S	S	*	*			cis	106.7	62	4	0	0	0	0	0	111.8
267	Y	42.2	Very low	38.9	Very low	211 Å²	211	127 Å²	127	83%	0.827	82%	0.822	S	S	*	*			trans	-154.5	133.6	173.5	34.1	-95.9	0	0	0	109.8	R265	R265-Y267 HydrophobicContact CB-CD1 4.27Å; R265-Y267 HydrophobicContact CB-CE1 4.15Å
268	G	36.8	Very low	38.9	Very low	79 Å²	79	127.4 Å²	127.4	81%	0.814	83%	0.826	S	S	*	*			trans	-155.6	141.6	169.9	0	0	0	0	0	109.4
269	S	40.3	Very low	38.7	Very low	129 Å²	129	127.6 Å²	127.6	90%	0.902	83%	0.831	S	S	*	*			trans	-171.8	142.3	169.2	-171.3	0	0	0	0	111.1
270	G	39.2	Very low	38.8	Very low	74 Å²	74	126.8 Å²	126.8	76%	0.763	82%	0.823	S	S	*	*			trans	83.7	139.6	159.6	0	0	0	0	0	117.7
271	G	40.9	Very low	38.9	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	82%	0.822	S	S	*	*			trans	139.8	87.5	174.2	0	0	0	0	0	113.5
272	Q	40.1	Very low	38.9	Very low	163 Å²	163	124.3 Å²	124.3	76%	0.762	82%	0.818	S	S	*	*			trans	-95.9	145.1	-171.3	-80.2	80.6	-14	0	0	114.7
273	G	36	Very low	39	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	82%	0.816	S	S	*	*			trans	79.8	165.5	155.2	0	0	0	0	0	116.5
274	Y	40.6	Very low	39.1	Very low	222 Å²	222	127 Å²	127	87%	0.871	82%	0.824	S	S	*	*			cis	-150.5	148.3	-2.3	-8.8	-99.6	0	0	0	108.1
275	G	36.7	Very low	39.1	Very low	78 Å²	78	124 Å²	124	80%	0.804	82%	0.815	S	S	*	*			trans	-85.4	160.4	-179.3	0	0	0	0	0	114
276	N	39.2	Very low	38.9	Very low	162 Å²	162	119.3 Å²	119.3	87%	0.866	82%	0.815	S	S	*	*			trans	-141.9	151.5	161.1	-159.1	-70.5	0	0	0	109.5
277	Q	37.2	Very low	38.9	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	82%	0.816	S	S	*	*			trans	-123.8	127.7	-172.7	-66.9	171.3	-20.5	0	0	109.3
278	G	40.6	Very low	38.8	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	81%	0.808	S	S	*	*			trans	-144	101.6	178.9	0	0	0	0	0	111.6
279	S	40.4	Very low	38.6	Very low	134 Å²	134	122.2 Å²	122.2	94%	0.937	80%	0.801	S	S	*	*			trans	-83.2	144.6	-175.8	-56.5	0	0	0	0	112.9
280	G	39.3	Very low	38.7	Very low	65 Å²	65	126.1 Å²	126.1	67%	0.67	80%	0.797	S	S	*	*			trans	-159.8	119.5	174.9	0	0	0	0	0	113.5
281	Y	39.6	Very low	38.5	Very low	232 Å²	232	130 Å²	130	91%	0.91	80%	0.801	S	S	*	*			trans	-44.6	158.5	170.3	52.3	-87.3	0	0	0	115.7
282	G	38.6	Very low	38.4	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	81%	0.806	S	S	*	*			cis	160.7	138.3	-9.1	0	0	0	0	0	114.9
283	G	40	Very low	38.2	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	80%	0.804	S	S	*	*			trans	78.7	162.8	163	0	0	0	0	0	119
284	S	38.5	Very low	38.2	Very low	129 Å²	129	130.6 Å²	130.6	90%	0.902	81%	0.811	S	S	*	*			cis	-179.9	139.2	-28.7	41.8	0	0	0	0	111.7
285	G	38.7	Very low	38	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	81%	0.812	S	S	*	*			trans	116.1	122.3	176.5	0	0	0	0	0	112.4
286	S	36.6	Very low	38	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	82%	0.816	S	S	*	*			cis	66.6	129.6	24.2	-143.2	0	0	0	0	112.4
287	Y	36.2	Very low	37.8	Very low	214 Å²	214	119.5 Å²	119.5	84%	0.839	80%	0.802	S	S	*	*			cis	-151.4	-178.6	9.6	44.7	-106.1	0	0	0	109
288	D	40.4	Very low	37.7	Very low	123 Å²	123	121.2 Å²	121.2	66%	0.658	81%	0.807	S	S	*	*			cis	-149.8	-171.8	5.3	-162	2.3	0	0	0	110	Y290	D288-Y290 VanDerWaalsContact OD2-CE2 3.31Å; D288-Y290 WeakPolarHBondContact OD2-CE2 3.22Å
289	S	31.9	Very low	37.4	Very low	94 Å²	94	121.3 Å²	121.3	66%	0.657	81%	0.808	S	S	*	*			trans	-127.3	123.3	179.1	153.7	0	0	0	0	114.1
290	Y	41.8	Very low	37.1	Very low	210 Å²	210	119.2 Å²	119.2	82%	0.824	81%	0.808	S	S	*	*			trans	-135.6	136.6	164.4	-73.1	-79.9	0	0	0	113.6	D288	D288-Y290 VanDerWaalsContact OD2-CE2 3.31Å; D288-Y290 WeakPolarHBondContact OD2-CE2 3.22Å
291	N	34.5	Very low	36.8	Very low	157 Å²	157	119.9 Å²	119.9	84%	0.84	82%	0.815	S	S	*	*			trans	-121.5	118.8	177	167.8	22.1	0	0	0	109.1
292	N	40.2	Very low	36.5	Very low	166 Å²	166	114.9 Å²	114.9	89%	0.888	81%	0.814	S	S	*	*			trans	-152.7	151.9	152.3	-153.8	-12.2	0	0	0	110.1
293	G	36.3	Very low	36.4	Very low	69 Å²	69	114.3 Å²	114.3	71%	0.711	81%	0.807	S	S	*	*			trans	-93.6	164.6	-173	0	0	0	0	0	114.7
294	G	35.5	Very low	36.1	Very low	82 Å²	82	116.3 Å²	116.3	85%	0.845	81%	0.809	S	S	*	*			trans	-171.3	125	170.8	0	0	0	0	0	108.1
295	G	36.5	Very low	35.8	Very low	87 Å²	87	116.8 Å²	116.8	90%	0.897	80%	0.802	S	S	*	*			trans	-99.2	158.1	-171	0	0	0	0	0	114
296	G	35.2	Very low	35.8	Very low	86 Å²	86	123.1 Å²	123.1	89%	0.887	81%	0.81	S	S	*	*			trans	121	127.4	154.1	0	0	0	0	0	116.3
297	G	35	Very low	35.5	Very low	56 Å²	56	121.6 Å²	121.6	58%	0.577	81%	0.812	S	S	*	*			trans	120.6	94.6	143.2	0	0	0	0	0	118
298	F	35.6	Very low	35.4	Very low	222 Å²	222	114.9 Å²	114.9	97%	0.974	81%	0.808	S	S	*	*			trans	26	122.1	136.7	-25.9	-73.7	0	0	0	119.8
299	G	34.5	Very low	35.1	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	82%	0.822	S	S	*	*			trans	172.2	114.4	163	0	0	0	0	0	112.5
300	G	33.3	Very low	35.2	Very low	91 Å²	91	111 Å²	111	94%	0.938	81%	0.812	S	S	*	*			trans	-77.3	150.6	180	0	0	0	0	0	113.3
301	G	34.9	Very low	34.8	Very low	78 Å²	78	105.7 Å²	105.7	80%	0.804	81%	0.806	S	S	*	*			trans	-160.6	121.5	172.4	0	0	0	0	0	110.8
302	S	32.5	Very low	35.3	Very low	128 Å²	128	105 Å²	105	90%	0.895	79%	0.793	S	S	*	*			trans	-75.9	137.3	176.9	-168.3	0	0	0	0	110.5
303	G	36.3	Very low	35.2	Very low	64 Å²	64	103.4 Å²	103.4	66%	0.66	78%	0.784	S	S	*	*			trans	-159.2	49.2	-171	0	0	0	0	0	113.2	N305	G303-N305 PolarHBondContact O-N 3.32Å
304	S	33.6	Very low	35.3	Very low	118 Å²	118	106 Å²	106	83%	0.825	78%	0.781	S	S	*	*			trans	-70.6	94.3	-178.9	54.2	0	0	0	0	112.1
305	N	32.4	Very low	35.6	Very low	139 Å²	139	105.6 Å²	105.6	74%	0.743	76%	0.757	S	S	*	*			trans	-138.7	68.4	179.8	-167.3	24.3	0	0	0	112.7	G303	G303-N305 PolarHBondContact O-N 3.32Å
306	F	37.6	Very low	35.5	Very low	204 Å²	204	103 Å²	103	90%	0.895	73%	0.731	S	S	*	*			trans	-135.8	93.2	175.5	-71.7	-72.5	0	0	0	112.2
307	G	31.9	Very low	35.5	Very low	83 Å²	83	106.8 Å²	106.8	86%	0.856	73%	0.73	S	S	*	*			trans	-72.6	129	152.4	0	0	0	0	0	109.1
308	G	34.2	Very low	35.7	Very low	73 Å²	73	107 Å²	107	75%	0.753	71%	0.714	S	S	*	*			trans	-162.1	124.5	-179.7	0	0	0	0	0	111.9	G310	G308-G310 PolarHBondContact O-N 2.87Å; G308-G310 VanDerWaalsContact O-N 3.13Å
309	G	33.8	Very low	35.7	Very low	91 Å²	91	103.6 Å²	103.6	94%	0.938	71%	0.706	S	S	*	*			trans	-74.6	96.3	176.2	0	0	0	0	0	111.2	S311	G309-S311 PolarHBondContact O-N 3.16Å
310	G	33.5	Very low	36	Very low	45 Å²	45	105.8 Å²	105.8	46%	0.464	70%	0.698	S	S	.	*			trans	-74.4	117	176.5	0	0	0	0	0	112.2	G308 Y312	G308-G310 PolarHBondContact O-N 2.87Å; G308-G310 VanDerWaalsContact O-N 3.13Å; G310-Y312 WeakPolarHBondContact O-CD2 3.22Å; G310-Y312 WeakPolarHBondContact O-CE2 3.36Å; G310-Y312 PolarHBondContact O-N 2.89Å
311	S	34.3	Very low	36.4	Very low	99 Å²	99	109.4 Å²	109.4	69%	0.692	69%	0.691	S	S	*	*			trans	-79.8	104.3	170.9	-170.8	0	0	0	0	109.9	G309 N313	G309-S311 PolarHBondContact O-N 3.16Å; S311-N313 PolarHBondContact O-N 3.06Å; S311-N313 PolarHBondContact O-ND2 3.3Å; S311-N313 PolarHBondContact OG-ND2 3.35Å
312	Y	43.3	Very low	36.6	Very low	142 Å²	142	110.6 Å²	110.6	56%	0.557	69%	0.687	S	S	*	*			trans	-75.6	83.6	-171.4	-52.4	-77.7	0	0	0	112.9	G310 F315	G310-Y312 WeakPolarHBondContact O-CD2 3.22Å; G310-Y312 WeakPolarHBondContact O-CE2 3.36Å; G310-Y312 PolarHBondContact O-N 2.89Å; Y312-F315 WeakPolarHBondContact O-CE2 3.19Å
313	N	39	Very low	37	Very low	132 Å²	132	108.9 Å²	108.9	71%	0.706	68%	0.675	S	S	*	*			trans	-103.4	18.6	-179.3	-67.4	-63.1	0	0	0	114.6	S311	S311-N313 PolarHBondContact O-N 3.06Å; S311-N313 PolarHBondContact O-ND2 3.3Å; S311-N313 PolarHBondContact OG-ND2 3.35Å
314	D	37.5	Very low	37.3	Very low	123 Å²	123	113.6 Å²	113.6	66%	0.658	69%	0.685	S	S	*	*			trans	-108.4	70.6	-177.5	-169.5	4	0	0	0	113.2	R55 G316	R55-D314 PolarHBondContact NH2-O 3.02Å; R55-D314 VanDerWaalsContact NH2-O 3.11Å; D314-G316 VanDerWaalsContact C-N 3.29Å; D314-G316 PolarHBondContact O-N 3.03Å
315	F	41.8	Very low	37.5	Very low	74 Å²	74	117.5 Å²	117.5	33%	0.325	69%	0.687	S	S	.	*			trans	-89.3	60.9	172	-71.2	-79.5	0	0	0	111.5	F17 H101 Y312	F17-F315 HydrophobicContact CE2-CE1 4.19Å; F17-F315 HydrophobicContact CE2-CZ 4.39Å; F17-F315 HydrophobicContact CZ-CZ 4.49Å; H101-F315 HydrophobicContact CB-CE2 4.22Å; H101-F315 HydrophobicContact CB-CZ 4.42Å; H101-F315 AromaticContact CD2-CD2 3.86Å; H101-F315 AromaticContact CD2-CE2 3.72Å; H101-F315 AromaticContact CG-CE2 3.94Å; H101-F315 AromaticContact CG-CZ 4Å; Y312-F315 WeakPolarHBondContact O-CE2 3.19Å
316	G	36.2	Very low	37.4	Very low	34 Å²	34	113.8 Å²	113.8	35%	0.351	68%	0.682	S	S	.	*			trans	-52.1	145.6	171.6	0	0	0	0	0	113.9	D314 Y318	D314-G316 VanDerWaalsContact C-N 3.29Å; D314-G316 PolarHBondContact O-N 3.03Å; G316-Y318 PolarHBondContact O-N 3.23Å
317	N	33.5	Very low	37.7	Very low	165 Å²	165	110.2 Å²	110.2	88%	0.882	68%	0.68	S	S	*	*			trans	-56	117.6	-168.9	-171.9	12.3	0	0	0	114.1	N319	N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 VanDerWaalsContact O-N 3.16Å
318	Y	39.9	Very low	38.1	Very low	60 Å²	60	115.2 Å²	115.2	24%	0.235	68%	0.683	C	S	.	*			trans	-78.1	96	-179.2	-78	-98.3	0	0	0	112.6	M46 F57 F59 R92 G316	M46-Y318 HydrophobicContact CE-CD1 4.45Å; M46-Y318 HydrophobicContact CE-CE1 3.85Å; M46-Y318 HydrophobicContact SD-CE1 4.21Å; F57-Y318 WeakPolarHBondContact CE2-OH 3.4Å; F57-Y318 VanDerWaalsContact CZ-OH 3.25Å; F57-Y318 WeakPolarHBondContact CZ-OH 2.98Å; F59-Y318 HydrophobicContact CE2-CE1 4.37Å; R92-Y318 PolarHBondContact NH1-O 2.86Å; G316-Y318 PolarHBondContact O-N 3.23Å
319	N	36.6	Very low	38.2	Very low	150 Å²	150	122.2 Å²	122.2	80%	0.802	69%	0.693	S	S	*	*			trans	-67.8	148.9	158.9	-160	4.7	0	0	0	110.2	N317 Q321	N317-N319 PolarHBondContact O-N 3.41Å; N317-N319 VanDerWaalsContact O-N 3.16Å; N319-Q321 PolarHBondContact O-N 3.36Å
320	N	40.1	Very low	38.4	Very low	129 Å²	129	121.4 Å²	121.4	69%	0.69	69%	0.685	S	S	*	*			trans	-82.1	105.4	-172.1	-169.7	-3.2	0	0	0	111
321	Q	41.5	Very low	38.4	Very low	166 Å²	166	123.2 Å²	123.2	78%	0.776	70%	0.703	S	S	*	*			trans	-84.8	116	162.9	-69.1	-163.4	-101.1	0	0	108.6	N319 S323	N319-Q321 PolarHBondContact O-N 3.36Å; Q321-S323 PolarHBondContact O-N 3.1Å
322	S	38.7	Very low	38.5	Very low	104 Å²	104	125.9 Å²	125.9	73%	0.727	71%	0.709	S	S	*	*			trans	-55.2	132.1	175	50.8	0	0	0	0	111.3	N324	S322-N324 PolarHBondContact O-N 3.43Å
323	S	41.3	Very low	38.3	Very low	91 Å²	91	128.9 Å²	128.9	64%	0.636	73%	0.726	S	S	*	*			trans	-55.8	135.8	171.4	44.1	0	0	0	0	110.5	Q321 F325	Q321-S323 PolarHBondContact O-N 3.1Å; S323-F325 PolarHBondContact O-N 2.77Å
324	N	41.8	Very low	38.3	Very low	164 Å²	164	126.2 Å²	126.2	88%	0.877	73%	0.73	S	S	*	*	S	Bend	trans	-83.3	35.1	-164.1	-152.6	26.9	0	0	0	113.5	S322	S322-N324 PolarHBondContact O-N 3.43Å
325	F	39	Very low	38.3	Very low	199 Å²	199	124.1 Å²	124.1	87%	0.873	74%	0.737	S	S	*	*	S	Bend	trans	-137.2	107.5	-174.4	-107.2	-93.4	0	0	0	111.4	S323	S323-F325 PolarHBondContact O-N 2.77Å
326	G	31.1	Very low	38	Very low	62 Å²	62	132.2 Å²	132.2	64%	0.639	77%	0.765	S	S	*	*			trans	93.2	135.8	-170.9	0	0	0	0	0	111.2
327	P	42.8	Very low	38.1	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	79%	0.789	S	S	*	*				-107.7	145	57.9	34.4	-36	0	0	0	115.1
328	M	40.6	Very low	38.5	Very low	188 Å²	188	134.4 Å²	134.4	93%	0.926	79%	0.788	S	S	*	*			trans	-67.8	141.4	163.6	-75.1	-172.9	164.9	0	0	110.3	G330	M328-G330 VanDerWaalsContact C-N 3.26Å; M328-G330 PolarHBondContact O-N 3.19Å
329	K	37	Very low	38.4	Very low	219 Å²	219	135.1 Å²	135.1	95%	0.952	81%	0.814	S	S	*	*			trans	-76.3	65.4	-170.1	-166.3	179.9	-179.8	-179.6	0	112.9
330	G	36.8	Very low	38.9	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	82%	0.815	S	S	*	*			trans	-89	114.9	170.6	0	0	0	0	0	111.2	M328	M328-G330 VanDerWaalsContact C-N 3.26Å; M328-G330 PolarHBondContact O-N 3.19Å
331	G	33	Very low	38.9	Very low	82 Å²	82	139.1 Å²	139.1	85%	0.845	83%	0.826	S	S	*	*			trans	-84.6	145.7	179.6	0	0	0	0	0	113.1
332	N	37.7	Very low	38.9	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	83%	0.825	S	S	*	*			trans	-141	143.5	157.7	-170.9	33.3	0	0	0	110.1
333	F	38.4	Very low	39	Very low	205 Å²	205	133.9 Å²	133.9	90%	0.899	83%	0.833	S	S	*	*			trans	-79.5	139.3	-179	-80.3	-107.1	0	0	0	111.1
334	G	39.2	Very low	39	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	84%	0.842	S	S	*	*			trans	-139	51.5	-176.7	0	0	0	0	0	113.1
335	G	36.6	Very low	39.1	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	83%	0.829	S	S	*	*			trans	-67.7	143.6	178.6	0	0	0	0	0	112.9
336	R	36.9	Very low	39.3	Very low	244 Å²	244	126.9 Å²	126.9	92%	0.921	83%	0.825	S	S	*	*			trans	-141.6	130.7	171	-77.1	-169.6	171.7	-167.8	-2	112.6
337	S	37.4	Very low	39.9	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	83%	0.828	S	S	*	*			trans	72	95.8	148	-161.7	0	0	0	0	120.5
338	S	41.7	Very low	40	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	83%	0.829	S	S	*	*			trans	-161.5	147.1	137.4	58.5	0	0	0	0	112
339	G	39.1	Very low	40.2	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	82%	0.818	S	S	*	*			trans	81.4	118.1	163.4	0	0	0	0	0	118.9
340	P	47.1	Very low	40.9	Very low	129 Å²	129	130.1 Å²	130.1	84%	0.838	82%	0.815	S	S	*	*			trans	-113.3	143.5	179.8	38.1	-30	0	0	0	116.6
341	Y	39.4	Very low	41.5	Very low	235 Å²	235	132 Å²	132	92%	0.922	81%	0.814	S	S	*	*			trans	-168.3	164.3	158.1	59.1	-88.8	0	0	0	109.8
342	G	40.7	Very low	41.9	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	82%	0.817	S	S	*	*			cis	168.3	102.8	-10.6	0	0	0	0	0	113.2
343	G	41.3	Very low	42.3	Very low	87 Å²	87	139.3 Å²	139.3	90%	0.897	82%	0.816	S	S	*	*			trans	81.2	161.9	-176.9	0	0	0	0	0	114.3
344	G	41.3	Very low	42.5	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	81%	0.814	S	S	*	*			cis	175.9	150.5	-6.7	0	0	0	0	0	111.9
345	G	43.7	Very low	42.6	Very low	59 Å²	59	138.1 Å²	138.1	61%	0.608	81%	0.813	S	S	*	*			trans	86.4	139.3	-172.3	0	0	0	0	0	112.8
346	Q	44.2	Very low	42.9	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	81%	0.807	S	S	*	*			cis	67.2	140.8	28.7	-43.6	-173.3	19.8	0	0	112.5
347	Y	44.1	Very low	43.2	Very low	178 Å²	178	136.9 Å²	136.9	70%	0.698	81%	0.806	S	S	*	*			cis	-151.7	174.2	28.2	-36.2	-99	0	0	0	112.1
348	F	43.4	Very low	43.5	Very low	196 Å²	196	135 Å²	135	86%	0.86	81%	0.807	S	S	*	*			trans	22.9	145.6	164.2	-54.1	-76.7	0	0	0	122.8
349	A	45.8	Very low	43.6	Very low	85 Å²	85	132.2 Å²	132.2	70%	0.702	80%	0.797	S	S	*	*			cis	129.2	136.4	-7.5	0	0	0	0	0	114.2
350	K	51.1	Low	44	Very low	207 Å²	207	134.4 Å²	134.4	90%	0.9	80%	0.8	S	S	*	*			trans	84.4	155.2	164	-73.6	-171.2	174.6	-179.9	0	120.3
351	P	50.1	Low	43.9	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	80%	0.797	S	S	*	*			trans	-141.8	-172.3	-141.5	45.5	-26.9	0	0	0	117.8
352	R	41.1	Very low	44.3	Very low	239 Å²	239	127.4 Å²	127.4	90%	0.902	79%	0.789	S	S	*	*			trans	70.5	107.8	145.9	-169.3	-168.4	-162.7	-173.4	6.5	118.8
353	N	46	Very low	44.8	Very low	152 Å²	152	129.3 Å²	129.3	81%	0.813	79%	0.791	S	S	*	*			trans	-149.6	175.5	141.7	-149.3	-3.1	0	0	0	113
354	Q	42.8	Very low	45.2	Very low	182 Å²	182	130.6 Å²	130.6	85%	0.85	79%	0.786	S	S	*	*			trans	-103.5	168.5	-170.1	-50.1	166.6	8.2	0	0	112.4
355	G	41.6	Very low	45.7	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	78%	0.778	S	S	*	*			trans	148.2	103.9	148.4	0	0	0	0	0	119
356	G	41.8	Very low	46	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	79%	0.79	S	S	*	*			trans	72.1	-179.2	146.6	0	0	0	0	0	120.1
357	Y	44.2	Very low	46.4	Very low	229 Å²	229	134.3 Å²	134.3	90%	0.898	79%	0.788	S	S	*	*			cis	-171.5	154.9	-47.9	35.9	-130.4	0	0	0	109.8
358	G	43.4	Very low	46.7	Very low	84 Å²	84	132.2 Å²	132.2	87%	0.866	80%	0.8	S	S	*	*			trans	78.9	154.5	176.5	0	0	0	0	0	115.4
359	G	43.5	Very low	47.4	Very low	64 Å²	64	126.3 Å²	126.3	66%	0.66	79%	0.794	S	S	*	*			cis	165.3	156.5	-8.9	0	0	0	0	0	113
360	S	47.9	Very low	47.8	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	81%	0.805	S	S	*	*			trans	59.2	155.1	168.5	47.5	0	0	0	0	119.1
361	S	43.9	Very low	48.3	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	80%	0.802	S	S	*	*			cis	156.8	117.2	-40.5	54.1	0	0	0	0	108.6
362	S	48.3	Very low	49.2	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	82%	0.823	S	S	*	*			trans	-162.4	116.8	172.6	54	0	0	0	0	113.4
363	S	51.2	Low	49.6	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	82%	0.819	S	S	*	*			trans	30.2	137.2	131.9	59.8	0	0	0	0	119.7
364	S	48.9	Very low	49.8	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	82%	0.819	S	S	*	*			cis	-159.5	-162.6	24.4	55.4	0	0	0	0	109.1
365	S	52.7	Low	50.1	Low	92 Å²	92	134 Å²	134	64%	0.643	82%	0.817	S	S	*	*			cis	-154.8	167.4	11	173.6	0	0	0	0	111.8
366	Y	50.9	Low	50.6	Low	219 Å²	219	137.5 Å²	137.5	86%	0.859	82%	0.82	S	S	*	*			trans	-57.1	161.9	162	-24.6	-77	0	0	0	112.9
367	G	51.3	Low	51.2	Low	72 Å²	72	141.9 Å²	141.9	74%	0.742	83%	0.828	S	S	*	*			cis	166.6	-168.7	3.2	0	0	0	0	0	112.5
368	S	51.7	Low	51.7	Low	135 Å²	135	136.1 Å²	136.1	94%	0.944	82%	0.823	S	S	*	*			trans	-3	140.6	164.5	-178.5	0	0	0	0	119.7
369	G	57.4	Low	52.2	Low	71 Å²	71	139.8 Å²	139.8	73%	0.732	82%	0.82	S	S	*	*			cis	165.2	-170.3	11.6	0	0	0	0	0	112.4
370	R	54.9	Low	52.9	Low	251 Å²	251	145.6 Å²	145.6	95%	0.947	83%	0.832	S	S	*	*			trans	-76.1	153.4	-174.9	-51.6	176.3	-169.2	163.6	2.5	113.5
371	R	61.4	Low	53.3	Low	219 Å²	219	147.8 Å²	147.8	83%	0.826	83%	0.833	S	S	*	*			trans	-162.9	129.8	143.2	-115.4	173.3	-173.2	-176.3	1.8	113.3
372	F	67.4	Low	54.2	Low	270 Å²	270	151.4 Å²	151.4	100%	1.184	84%	0.839	S	S	*	*			trans	61.5	0	170.8	-56.4	-66.6	0	0	0	117

Retrieved 372 of 372 residues in 2274.7 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).