A0A3B3TUT2_9TELE Loading...

Protein N-terminal glutamine amidohydrolase

Mediates the side-chain deamidation of N-terminal glutamine residues to glutamate, an important step in N-end rule pathway of protein degradation. Conversion of the resulting N-terminal glutamine to glutamate renders the protein susceptible to arginylation, polyubiquitination and degradation as specified by the N-end rule. Does not act on substrates with internal or C-terminal glutamine and does not act on non-glutamine residues in any position. Does not deaminate acetylated N-terminal glutamine. With the exception of proline, all tested second-position residues on substrate peptides do not greatly influence the activity. In contrast, a proline at position 2, virtually abolishes deamidation of N-terminal glutamine.

AlphaFold DB , UniProt , Accession A0A3B3TUT2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 204 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.6	Very low	74.8	Confident	242 Å²	242	94.2 Å²	94.2	100%	1.192	49%	0.49	S	S	*	.				0	99.6	0	-69	175.1	173.6	0	0	107.1	T3	M1-T3 PolarHBondContact O-N 2.88Å
2	T	39.5	Very low	76.7	Confident	138 Å²	138	98.1 Å²	98.1	85%	0.847	50%	0.504	S	S	*	.			trans	-69.9	109.7	175.9	29	0	0	0	0	108	V4	T2-V4 PolarHBondContact O-N 2.65Å
3	T	45	Very low	78.3	Confident	141 Å²	141	99.5 Å²	99.5	87%	0.865	51%	0.514	S	S	*	.			trans	-57.9	106.7	171.5	-0.2	0	0	0	0	107.6	M1 H5	M1-T3 PolarHBondContact O-N 2.88Å; T3-H5 PolarHBondContact O-N 3.22Å
4	V	56.9	Low	79.7	Confident	94 Å²	94	93.5 Å²	93.5	57%	0.57	48%	0.484	S	S	*	.			trans	-64.4	109.6	169.9	179.2	0	0	0	0	106	T2 R6	T2-V4 PolarHBondContact O-N 2.65Å; V4-R6 PolarHBondContact O-N 2.9Å
5	H	75.8	Confident	81	Confident	149 Å²	149	92.2 Å²	92.2	69%	0.69	48%	0.482	S	S	*	.			trans	-61.5	106.5	173.7	-170.7	-73.3	0	0	0	108	T3 T37	T3-H5 PolarHBondContact O-N 3.22Å; H5-T37 PolarHBondContact CE1-O 3.33Å
6	R	85.8	Confident	82.1	Confident	124 Å²	124	91.4 Å²	91.4	47%	0.468	47%	0.471	S	S	.	.			trans	-82.7	135.3	179.3	-65.8	-172.6	-173.9	-164.4	3.3	109.2	V4	V4-R6 PolarHBondContact O-N 2.9Å
7	I	96	Very high	83.1	Confident	4 Å²	4	87.7 Å²	87.7	2%	0.021	45%	0.454	C	S	.	.	S	Bend	trans	-93.6	-15.5	177.7	71.2	171	0	0	0	111.9	F31 V32 T37 A38 L43 Q79 Y89	I7-F31 WeakPolarHBondContact O-CE1 3.42Å; I7-V32 HydrophobicContact CB-CG2 4.32Å; I7-V32 HydrophobicContact CD1-CG2 4.21Å; I7-V32 HydrophobicContact CG1-CG2 4.21Å; I7-V32 WeakPolarHBondContact O-CG2 3.43Å; I7-T37 WeakPolarHBondContact O-CB 3.32Å; I7-T37 PolarHBondContact O-OG1 2.98Å; I7-A38 HydrophobicContact CB-CB 3.95Å; I7-A38 HydrophobicContact CD1-CB 4.48Å; I7-A38 HydrophobicContact CG2-CB 3.56Å; I7-L43 HydrophobicContact CD1-CD1 4.18Å; I7-L43 HydrophobicContact CD1-CD2 3.6Å; I7-Q79 HydrophobicContact CD1-CB 4.41Å; I7-Q79 HydrophobicContact CD1-CG 4.42Å; I7-Y89 HydrophobicContact CD1-CE1 4.4Å; I7-Y89 HydrophobicContact CD1-CE2 3.94Å; I7-Y89 HydrophobicContact CG1-CE1 3.99Å; I7-Y89 HydrophobicContact CG1-CE2 4.39Å; I7-Y89 WeakPolarHBondContact CG1-OH 3.35Å
8	T	96.6	Very high	83.9	Confident	8 Å²	8	85.4 Å²	85.4	5%	0.049	45%	0.447	C	S	.	.	S	Bend	trans	-124.2	166.3	-179.7	48.1	0	0	0	0	110.2	L28 V32 Y89	T8-L28 HydrophobicContact CG2-CB 4.15Å; T8-L28 HydrophobicContact CG2-CD2 3.76Å; T8-L28 HydrophobicContact CG2-CG 4.42Å; T8-V32 HydrophobicContact CG2-CG2 4.18Å; T8-Y89 WeakPolarHBondContact OG1-CE1 3.33Å
9	P	96.8	Very high	84.6	Confident	31 Å²	31	82.9 Å²	82.9	20%	0.201	44%	0.436	C	S	.	.			trans	-56.1	167	167.5	-22.3	34.8	0	0	0	111.7	N13 F31	P9-N13 HydrophobicContact CB-CB 3.89Å; P9-F31 HydrophobicContact CG-CD1 4.49Å; P9-F31 HydrophobicContact CG-CD2 4.07Å; P9-F31 HydrophobicContact CG-CE1 4.2Å; P9-F31 HydrophobicContact CG-CE2 3.73Å; P9-F31 HydrophobicContact CG-CG 4.43Å; P9-F31 HydrophobicContact CG-CZ 3.81Å
10	I	96.8	Very high	85.3	Confident	69 Å²	69	78.8 Å²	78.8	35%	0.354	42%	0.415	S	S	.	.			trans	-60.5	153.1	166	74.2	176.9	0	0	0	109.4	E12 N13 C14	I10-E12 HydrophobicContact CD1-CB 4.46Å; I10-E12 HydrophobicContact CG1-CB 4.4Å; I10-E12 WeakPolarHBondContact CG1-OE2 3.37Å; I10-E12 PolarHBondContact O-N 3.3Å; I10-N13 HydrophobicContact CG1-CB 3.93Å; I10-N13 PolarHBondContact O-N 2.95Å; I10-C14 PolarHBondContact O-N 3Å; I10-C14 PolarHBondContact O-SG 2.85Å
11	R	97.4	Very high	85.9	Confident	36 Å²	36	75.2 Å²	75.2	14%	0.136	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-49.2	-41	-173.4	-177.9	-169.2	-76.5	-75.2	8.9	112.3	N13 C14 D90 L91 S93 L95 F97	R11-N13 VanDerWaalsContact C-N 3.25Å; R11-N13 PolarHBondContact O-N 3.35Å; R11-C14 PolarHBondContact O-N 3.4Å; R11-D90 PolarHBondContact NH1-O 2.77Å; R11-D90 PolarHBondContact NH2-O 3.48Å; R11-L91 HydrophobicContact CG-CD2 4.11Å; R11-L91 VanDerWaalsContact NH1-C 3.26Å; R11-L91 VanDerWaalsContact NH1-CA 3.29Å; R11-L91 PolarHBondContact NH1-O 3.5Å; R11-S93 VanDerWaalsContact CZ-O 3.32Å; R11-S93 PolarHBondContact NH1-O 2.64Å; R11-S93 PolarHBondContact NH2-O 2.78Å; R11-L95 PolarHBondContact NH2-O 3.35Å; R11-F97 HydrophobicContact CB-CB 4.02Å; R11-F97 HydrophobicContact CB-CD1 3.84Å; R11-F97 HydrophobicContact CB-CE1 4.49Å; R11-F97 HydrophobicContact CB-CG 3.97Å; R11-F97 HydrophobicContact CG-CB 4.43Å; R11-F97 HydrophobicContact CG-CG 4.33Å
12	E	97.1	Very high	88.9	Confident	141 Å²	141	63.7 Å²	63.7	66%	0.659	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-70	-21	-176.8	-59.8	69.4	-147.2	0	0	113.3	I10	I10-E12 HydrophobicContact CD1-CB 4.46Å; I10-E12 HydrophobicContact CG1-CB 4.4Å; I10-E12 WeakPolarHBondContact CG1-OE2 3.37Å; I10-E12 PolarHBondContact O-N 3.3Å
13	N	97.8	Very high	91.7	Very high	117 Å²	117	57.1 Å²	57.1	63%	0.626	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-104.9	-0.8	-178.5	-66.1	-0.7	0	0	0	112.6	P9 I10 R11	P9-N13 HydrophobicContact CB-CB 3.89Å; I10-N13 HydrophobicContact CG1-CB 3.93Å; I10-N13 PolarHBondContact O-N 2.95Å; R11-N13 VanDerWaalsContact C-N 3.25Å; R11-N13 PolarHBondContact O-N 3.35Å
14	C	98.3	Very high	94.3	Very high	15 Å²	15	50.5 Å²	50.5	10%	0.101	26%	0.258	C	S	.	.	S	Bend	trans	-72.2	143.4	173.8	-68.8	0	0	0	0	110.4	I10 R11 Y16 L28 L91	I10-C14 PolarHBondContact O-N 3Å; I10-C14 PolarHBondContact O-SG 2.85Å; R11-C14 PolarHBondContact O-N 3.4Å; C14-Y16 PolarHBondContact O-N 3.38Å; C14-L28 HydrophobicContact CB-CD2 4.21Å; C14-L91 HydrophobicContact CB-CD1 4.17Å; C14-L91 HydrophobicContact CB-CD2 3.7Å
15	V	98.5	Very high	96.3	Very high	74 Å²	74	46.2 Å²	46.2	45%	0.448	23%	0.233	S	C	.	.			trans	-60.6	124.9	165.6	178.9	0	0	0	0	107.9	K27 Y156	V15-K27 HydrophobicContact CB-CB 4.05Å; V15-K27 HydrophobicContact CB-CG 4.19Å; V15-K27 HydrophobicContact CG1-CB 4.33Å; V15-K27 HydrophobicContact CG1-CD 4.34Å; V15-K27 HydrophobicContact CG1-CG 3.94Å; V15-Y156 HydrophobicContact CG1-CD1 4.44Å; V15-Y156 HydrophobicContact CG1-CE1 3.75Å
16	Y	98.6	Very high	97.4	Very high	80 Å²	80	40.7 Å²	40.7	31%	0.314	21%	0.206	S	C	.	.			trans	-149.9	131.6	-174.5	170.9	-97.2	0	0	0	111.3	C14 S18 N24 L91 D92	C14-Y16 PolarHBondContact O-N 3.38Å; Y16-S18 WeakPolarHBondContact OH-CA 3.29Å; Y16-S18 WeakPolarHBondContact OH-CB 3.39Å; Y16-S18 PolarHBondContact OH-OG 2.96Å; Y16-N24 WeakPolarHBondContact CA-OD1 3.45Å; Y16-N24 WeakPolarHBondContact CD2-ND2 3.49Å; Y16-L91 HydrophobicContact CD2-CB 3.81Å; Y16-L91 HydrophobicContact CD2-CD1 4.27Å; Y16-L91 HydrophobicContact CE2-CB 4.18Å; Y16-D92 PolarHBondContact OH-OD1 3.29Å
17	T	98.5	Very high	98	Very high	28 Å²	28	36.6 Å²	36.6	17%	0.172	19%	0.191	C	C	.	.			trans	-131.8	127.2	166.9	-50.4	0	0	0	0	108.5	Y20 N24 P152 P154	T17-Y20 HydrophobicContact CG2-CD2 3.56Å; T17-Y20 HydrophobicContact CG2-CE2 4.07Å; T17-Y20 HydrophobicContact CG2-CG 4.39Å; T17-Y20 PolarHBondContact O-N 3.48Å; T17-N24 PolarHBondContact N-OD1 3.44Å; T17-N24 PolarHBondContact O-ND2 2.99Å; T17-N24 PolarHBondContact O-OD1 2.99Å; T17-P152 VanDerWaalsContact CG2-O 3.27Å; T17-P152 WeakPolarHBondContact CG2-O 3.44Å; T17-P154 HydrophobicContact CG2-CG 4.12Å
18	S	97.7	Very high	98.1	Very high	47 Å²	47	36.6 Å²	36.6	33%	0.329	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	138.2	-179.8	-168.8	0	0	0	0	110.8	Y16 Y20	Y16-S18 WeakPolarHBondContact OH-CA 3.29Å; Y16-S18 WeakPolarHBondContact OH-CB 3.39Å; Y16-S18 PolarHBondContact OH-OG 2.96Å; S18-Y20 VanDerWaalsContact C-N 3.28Å; S18-Y20 VanDerWaalsContact O-CD2 3.32Å; S18-Y20 WeakPolarHBondContact O-CD2 3.37Å; S18-Y20 PolarHBondContact O-N 3.46Å
19	C	97.8	Very high	98.3	Very high	37 Å²	37	36.2 Å²	36.2	25%	0.25	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	16.2	-176.7	-53.5	0	0	0	0	115.8	M142 M151	C19-M142 HydrophobicContact CB-CE 3.64Å; C19-M151 HydrophobicContact CB-CB 4.34Å; C19-M151 HydrophobicContact CB-CG 4Å
20	Y	98.6	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.			trans	-124.8	47.6	170.7	-65.9	-94.2	0	0	0	110.1	T17 S18 E22 E23 N24 R139 M142 M151 P152 P153 P154	T17-Y20 HydrophobicContact CG2-CD2 3.56Å; T17-Y20 HydrophobicContact CG2-CE2 4.07Å; T17-Y20 HydrophobicContact CG2-CG 4.39Å; T17-Y20 PolarHBondContact O-N 3.48Å; S18-Y20 VanDerWaalsContact C-N 3.28Å; S18-Y20 VanDerWaalsContact O-CD2 3.32Å; S18-Y20 WeakPolarHBondContact O-CD2 3.37Å; S18-Y20 PolarHBondContact O-N 3.46Å; Y20-E22 WeakPolarHBondContact CA-OE1 3.43Å; Y20-E22 PolarHBondContact O-N 3.38Å; Y20-E23 PolarHBondContact O-N 3.48Å; Y20-N24 PolarHBondContact O-N 3.01Å; Y20-N24 PolarHBondContact O-ND2 3.03Å; Y20-N24 PolarHBondContact O-OD1 2.79Å; Y20-R139 HydrophobicContact CE1-CB 4.2Å; Y20-R139 HydrophobicContact CE1-CG 4.02Å; Y20-M142 HydrophobicContact CD1-CG 4.48Å; Y20-M142 HydrophobicContact CE1-CB 4.08Å; Y20-M142 HydrophobicContact CE1-CG 3.69Å; Y20-M142 HydrophobicContact CE2-CE 4.08Å; Y20-M142 VanDerWaalsContact OH-CB 3.25Å; Y20-M142 WeakPolarHBondContact OH-CB 3.43Å; Y20-M151 HydrophobicContact CE2-CB 4.4Å; Y20-M151 PolarHBondContact OH-O 2.89Å; Y20-P152 WeakPolarHBondContact CE2-O 3.42Å; Y20-P153 WeakPolarHBondContact OH-CA 3.45Å; Y20-P154 HydrophobicContact CD1-CG 4.16Å; Y20-P154 HydrophobicContact CD2-CG 4.39Å; Y20-P154 HydrophobicContact CG-CG 4Å
21	C	98.8	Very high	98.4	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-33.2	-172.9	59.8	0	0	0	0	112.6	N24 V25 V75	C21-N24 PolarHBondContact O-N 2.84Å; C21-V25 WeakPolarHBondContact O-CG2 3.33Å; C21-V25 PolarHBondContact O-N 3.47Å; C21-V75 HydrophobicContact CB-CB 4.26Å; C21-V75 PolarHBondContact SG-N 3.44Å
22	E	98.8	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-43.8	172.9	69.1	-65.3	157.2	0	0	112.4	Y20 W26 F47 Y73 V75 F135 L168	Y20-E22 WeakPolarHBondContact CA-OE1 3.43Å; Y20-E22 PolarHBondContact O-N 3.38Å; E22-W26 WeakPolarHBondContact O-CB 3.43Å; E22-W26 PolarHBondContact O-N 2.86Å; E22-F47 HydrophobicContact CB-CE1 4.09Å; E22-F47 HydrophobicContact CB-CZ 3.92Å; E22-Y73 HydrophobicContact CB-CE2 4.39Å; E22-Y73 VanDerWaalsContact CD-OH 3.28Å; E22-Y73 WeakPolarHBondContact OE2-CE2 3.37Å; E22-Y73 PolarHBondContact OE2-OH 3.04Å; E22-V75 HydrophobicContact CB-CG2 3.96Å; E22-F135 HydrophobicContact CB-CE2 4.25Å; E22-F135 HydrophobicContact CB-CZ 3.89Å; E22-F135 HydrophobicContact CG-CE1 4.3Å; E22-F135 HydrophobicContact CG-CE2 4.2Å; E22-F135 HydrophobicContact CG-CZ 3.49Å; E22-F135 VanDerWaalsContact CG-CZ 3.49Å; E22-L168 HydrophobicContact CB-CD1 4.2Å; E22-L168 HydrophobicContact CG-CD1 3.98Å
23	E	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-77.9	-34.4	178.4	-57.2	-163.3	-149.8	0	0	112.1	Y20 V25 W26 K27 F135 R139 Y156 I159	Y20-E23 PolarHBondContact O-N 3.48Å; E23-V25 VanDerWaalsContact C-N 3.3Å; E23-V25 PolarHBondContact O-N 3.41Å; E23-W26 WeakPolarHBondContact O-CB 3.48Å; E23-W26 PolarHBondContact O-N 3.49Å; E23-K27 WeakPolarHBondContact O-CG 3.42Å; E23-K27 PolarHBondContact O-N 3.27Å; E23-F135 HydrophobicContact CG-CE1 4.46Å; E23-R139 VanDerWaalsContact OE1-CG 3.32Å; E23-R139 WeakPolarHBondContact OE1-CG 3.18Å; E23-R139 IonicContact OE1-CZ 3.54Å; E23-R139 IonicContact OE1-NE 2.71Å; E23-R139 PolarHBondContact OE1-NE 3.13Å; E23-R139 IonicContact OE1-NH2 3.52Å; E23-R139 IonicContact OE2-CZ 3.57Å; E23-R139 IonicContact OE2-NE 3.52Å; E23-R139 IonicContact OE2-NH2 2.79Å; E23-R139 PolarHBondContact OE2-NH2 3.2Å; E23-Y156 VanDerWaalsContact CB-OH 3.26Å; E23-Y156 WeakPolarHBondContact CB-OH 3.32Å; E23-Y156 WeakPolarHBondContact OE2-CE2 3.22Å; E23-Y156 VanDerWaalsContact OE2-CZ 3.3Å; E23-Y156 PolarHBondContact OE2-OH 3.2Å; E23-I159 HydrophobicContact CB-CD1 4.02Å; E23-I159 HydrophobicContact CG-CD1 3.95Å
24	N	98.9	Very high	98.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-45.8	174.8	-63.8	-26.7	0	0	0	110.4	Y16 T17 Y20 C21 K27 L28 L91	Y16-N24 WeakPolarHBondContact CA-OD1 3.45Å; Y16-N24 WeakPolarHBondContact CD2-ND2 3.49Å; T17-N24 PolarHBondContact N-OD1 3.44Å; T17-N24 PolarHBondContact O-ND2 2.99Å; T17-N24 PolarHBondContact O-OD1 2.99Å; Y20-N24 PolarHBondContact O-N 3.01Å; Y20-N24 PolarHBondContact O-ND2 3.03Å; Y20-N24 PolarHBondContact O-OD1 2.79Å; C21-N24 PolarHBondContact O-N 2.84Å; N24-K27 PolarHBondContact O-N 3.25Å; N24-L28 WeakPolarHBondContact O-CG 3.5Å; N24-L28 PolarHBondContact O-N 3.09Å; N24-L28 VanDerWaalsContact O-N 3.12Å; N24-L91 HydrophobicContact CB-CD1 3.88Å
25	V	98.9	Very high	98.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-69.2	-38.4	176.3	170.4	0	0	0	0	111.6	C21 E23 K27 L28 C29 V45 V75 L77	C21-V25 WeakPolarHBondContact O-CG2 3.33Å; C21-V25 PolarHBondContact O-N 3.47Å; E23-V25 VanDerWaalsContact C-N 3.3Å; E23-V25 PolarHBondContact O-N 3.41Å; V25-K27 VanDerWaalsContact C-N 3.25Å; V25-K27 PolarHBondContact O-N 2.88Å; V25-L28 WeakPolarHBondContact O-CB 3.44Å; V25-L28 PolarHBondContact O-N 3Å; V25-L28 VanDerWaalsContact O-N 3.09Å; V25-C29 PolarHBondContact O-N 2.71Å; V25-C29 PolarHBondContact O-SG 2.83Å; V25-V45 HydrophobicContact CG1-CB 4.22Å; V25-V45 HydrophobicContact CG1-CG1 3.72Å; V25-V45 HydrophobicContact CG1-CG2 3.66Å; V25-V75 HydrophobicContact CB-CG1 3.92Å; V25-V75 HydrophobicContact CG1-CG1 4.11Å; V25-V75 HydrophobicContact CG2-CB 4.31Å; V25-V75 HydrophobicContact CG2-CG1 3.95Å; V25-L77 HydrophobicContact CG1-CB 3.96Å
26	W	98.9	Very high	98.4	Very high	33 Å²	33	44.7 Å²	44.7	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-42.9	172.2	-168	97.4	0	0	0	111.5	E22 E23 L28 C29 E30 F131 L132 F135 I159	E22-W26 WeakPolarHBondContact O-CB 3.43Å; E22-W26 PolarHBondContact O-N 2.86Å; E23-W26 WeakPolarHBondContact O-CB 3.48Å; E23-W26 PolarHBondContact O-N 3.49Å; W26-L28 PolarHBondContact O-N 3.33Å; W26-C29 WeakPolarHBondContact O-CB 3.05Å; W26-C29 PolarHBondContact O-N 3.44Å; W26-E30 HydrophobicContact CE3-CB 4.04Å; W26-E30 HydrophobicContact CH2-CB 4.23Å; W26-E30 HydrophobicContact CH2-CG 4.16Å; W26-E30 HydrophobicContact CZ3-CB 3.76Å; W26-E30 HydrophobicContact CZ3-CG 3.93Å; W26-E30 WeakPolarHBondContact CZ3-OE2 3.44Å; W26-E30 WeakPolarHBondContact O-CB 3.39Å; W26-E30 PolarHBondContact O-N 3.24Å; W26-F131 HydrophobicContact CB-CD1 4.4Å; W26-F131 HydrophobicContact CB-CE1 3.6Å; W26-F131 HydrophobicContact CB-CZ 4.33Å; W26-F131 AromaticContact CD1-CD1 3.84Å; W26-F131 AromaticContact CD1-CE1 3.63Å; W26-F131 HydrophobicContact CG-CD1 4.46Å; W26-F131 HydrophobicContact CG-CE1 4.01Å; W26-L132 HydrophobicContact CD2-CD2 4.03Å; W26-L132 HydrophobicContact CG-CD2 4.3Å; W26-L132 HydrophobicContact CZ2-CD2 4Å; W26-F135 AromaticContact CD1-CD1 3.74Å; W26-F135 HydrophobicContact CG-CD1 4.37Å; W26-I159 HydrophobicContact CB-CD1 3.93Å; W26-I159 HydrophobicContact CD2-CD1 3.55Å; W26-I159 HydrophobicContact CD2-CG1 4.21Å; W26-I159 HydrophobicContact CD2-CG2 4.24Å; W26-I159 HydrophobicContact CE3-CD1 3.63Å; W26-I159 HydrophobicContact CE3-CG1 4.19Å; W26-I159 HydrophobicContact CG-CD1 3.69Å; W26-I159 HydrophobicContact CZ2-CG2 4.03Å; W26-I159 HydrophobicContact CZ3-CD1 4.34Å; W26-I159 HydrophobicContact CZ3-CG1 4.44Å
27	K	98.8	Very high	98.3	Very high	37 Å²	37	42.6 Å²	42.6	16%	0.161	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-32	177.2	-71.1	-73.3	166.7	-170.2	0	113.3	V15 E23 N24 V25 E30 F31 Y156	V15-K27 HydrophobicContact CB-CB 4.05Å; V15-K27 HydrophobicContact CB-CG 4.19Å; V15-K27 HydrophobicContact CG1-CB 4.33Å; V15-K27 HydrophobicContact CG1-CD 4.34Å; V15-K27 HydrophobicContact CG1-CG 3.94Å; E23-K27 WeakPolarHBondContact O-CG 3.42Å; E23-K27 PolarHBondContact O-N 3.27Å; N24-K27 PolarHBondContact O-N 3.25Å; V25-K27 VanDerWaalsContact C-N 3.25Å; V25-K27 PolarHBondContact O-N 2.88Å; K27-E30 VanDerWaalsContact CD-OE2 3.29Å; K27-E30 WeakPolarHBondContact CD-OE2 3.26Å; K27-E30 IonicContact NZ-OE1 3.9Å; K27-E30 IonicContact NZ-OE2 2.77Å; K27-E30 PolarHBondContact NZ-OE2 3.47Å; K27-F31 WeakPolarHBondContact O-CB 3.37Å; K27-F31 PolarHBondContact O-N 3.12Å; K27-Y156 HydrophobicContact CG-CE1 4.44Å
28	L	98.8	Very high	98.2	Very high	5 Å²	5	42 Å²	42	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-44.3	170.3	-62.6	178.6	0	0	0	111.2	T8 C14 N24 V25 W26 F31 V32 L77 L91 F97	T8-L28 HydrophobicContact CG2-CB 4.15Å; T8-L28 HydrophobicContact CG2-CD2 3.76Å; T8-L28 HydrophobicContact CG2-CG 4.42Å; C14-L28 HydrophobicContact CB-CD2 4.21Å; N24-L28 WeakPolarHBondContact O-CG 3.5Å; N24-L28 PolarHBondContact O-N 3.09Å; N24-L28 VanDerWaalsContact O-N 3.12Å; V25-L28 WeakPolarHBondContact O-CB 3.44Å; V25-L28 PolarHBondContact O-N 3Å; V25-L28 VanDerWaalsContact O-N 3.09Å; W26-L28 PolarHBondContact O-N 3.33Å; L28-F31 PolarHBondContact O-N 3.07Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; L28-L77 HydrophobicContact CB-CD2 3.91Å; L28-L77 HydrophobicContact CD1-CB 4.39Å; L28-L77 HydrophobicContact CD1-CD2 4.28Å; L28-L91 HydrophobicContact CD1-CD1 4.2Å; L28-L91 HydrophobicContact CD1-CG 4.5Å; L28-L91 HydrophobicContact CD2-CD1 4.41Å; L28-L91 HydrophobicContact CG-CD1 4.4Å; L28-F97 HydrophobicContact CD1-CZ 4.33Å; L28-F97 HydrophobicContact CD2-CZ 4.43Å
29	C	98.8	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-44.7	175.9	-65.7	0	0	0	0	111.8	V25 W26 F31 V32 Q33 V45 L132	V25-C29 PolarHBondContact O-N 2.71Å; V25-C29 PolarHBondContact O-SG 2.83Å; W26-C29 WeakPolarHBondContact O-CB 3.05Å; W26-C29 PolarHBondContact O-N 3.44Å; C29-F31 VanDerWaalsContact C-N 3.33Å; C29-F31 PolarHBondContact O-N 3.24Å; C29-V32 PolarHBondContact O-N 3.45Å; C29-Q33 WeakPolarHBondContact O-CB 3.46Å; C29-Q33 PolarHBondContact O-N 3.32Å; C29-V45 VanDerWaalsContact SG-CG2 3.58Å; C29-L132 HydrophobicContact CB-CD1 4.03Å; C29-L132 HydrophobicContact CB-CD2 3.77Å; C29-L132 HydrophobicContact CB-CG 3.86Å
30	E	98.6	Very high	98	Very high	34 Å²	34	42.2 Å²	42.2	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-44.6	177.3	-178.7	-176	-140.6	0	0	111	W26 K27 Q33 K34 L132	W26-E30 HydrophobicContact CE3-CB 4.04Å; W26-E30 HydrophobicContact CH2-CB 4.23Å; W26-E30 HydrophobicContact CH2-CG 4.16Å; W26-E30 HydrophobicContact CZ3-CB 3.76Å; W26-E30 HydrophobicContact CZ3-CG 3.93Å; W26-E30 WeakPolarHBondContact CZ3-OE2 3.44Å; W26-E30 WeakPolarHBondContact O-CB 3.39Å; W26-E30 PolarHBondContact O-N 3.24Å; K27-E30 VanDerWaalsContact CD-OE2 3.29Å; K27-E30 WeakPolarHBondContact CD-OE2 3.26Å; K27-E30 IonicContact NZ-OE1 3.9Å; K27-E30 IonicContact NZ-OE2 2.77Å; K27-E30 PolarHBondContact NZ-OE2 3.47Å; E30-Q33 PolarHBondContact O-N 2.84Å; E30-K34 HydrophobicContact CG-CD 3.96Å; E30-K34 VanDerWaalsContact CG-CE 3.49Å; E30-K34 HydrophobicContact CG-CG 4.44Å; E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 WeakPolarHBondContact O-CG 3.32Å; E30-K34 PolarHBondContact O-N 3.46Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.65Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å; E30-K34 IonicContact OE2-NZ 3.88Å; E30-L132 HydrophobicContact CB-CD2 4.29Å
31	F	98.6	Very high	97.9	Very high	67 Å²	67	49.1 Å²	49.1	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-59.4	-50.6	176.4	178.4	-88.3	0	0	0	111.5	I7 P9 K27 L28 C29 Q33 K34 E35 T37	I7-F31 WeakPolarHBondContact O-CE1 3.42Å; P9-F31 HydrophobicContact CG-CD1 4.49Å; P9-F31 HydrophobicContact CG-CD2 4.07Å; P9-F31 HydrophobicContact CG-CE1 4.2Å; P9-F31 HydrophobicContact CG-CE2 3.73Å; P9-F31 HydrophobicContact CG-CG 4.43Å; P9-F31 HydrophobicContact CG-CZ 3.81Å; K27-F31 WeakPolarHBondContact O-CB 3.37Å; K27-F31 PolarHBondContact O-N 3.12Å; L28-F31 PolarHBondContact O-N 3.07Å; C29-F31 VanDerWaalsContact C-N 3.33Å; C29-F31 PolarHBondContact O-N 3.24Å; F31-Q33 VanDerWaalsContact C-N 3.29Å; F31-Q33 PolarHBondContact O-N 3.2Å; F31-K34 PolarHBondContact O-N 3Å; F31-E35 HydrophobicContact CD1-CG 4.37Å; F31-E35 HydrophobicContact CD2-CG 3.91Å; F31-E35 HydrophobicContact CE1-CB 4.28Å; F31-E35 HydrophobicContact CE1-CG 4.11Å; F31-E35 HydrophobicContact CE2-CG 3.62Å; F31-E35 HydrophobicContact CG-CG 4.28Å; F31-E35 HydrophobicContact CZ-CB 4.28Å; F31-E35 HydrophobicContact CZ-CG 3.73Å; F31-E35 WeakPolarHBondContact O-CB 3.45Å; F31-E35 WeakPolarHBondContact O-CG 3.49Å; F31-E35 PolarHBondContact O-N 2.84Å; F31-T37 HydrophobicContact CE1-CG2 4.06Å
32	V	98.4	Very high	97.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-41.1	-179.8	175.1	0	0	0	0	111.2	I7 T8 L28 C29 R36 T37 A38 L40 L43	I7-V32 HydrophobicContact CB-CG2 4.32Å; I7-V32 HydrophobicContact CD1-CG2 4.21Å; I7-V32 HydrophobicContact CG1-CG2 4.21Å; I7-V32 WeakPolarHBondContact O-CG2 3.43Å; T8-V32 HydrophobicContact CG2-CG2 4.18Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; C29-V32 PolarHBondContact O-N 3.45Å; V32-R36 VanDerWaalsContact O-CA 3.22Å; V32-R36 WeakPolarHBondContact O-CA 3.49Å; V32-R36 PolarHBondContact O-N 2.91Å; V32-T37 PolarHBondContact O-N 3.39Å; V32-A38 HydrophobicContact CG1-CB 4.03Å; V32-A38 WeakPolarHBondContact CG1-O 3.2Å; V32-L40 HydrophobicContact CB-CD2 4.45Å; V32-L40 HydrophobicContact CG1-CD2 4.15Å; V32-L43 HydrophobicContact CB-CD1 3.93Å; V32-L43 HydrophobicContact CG1-CD1 3.68Å; V32-L43 HydrophobicContact CG2-CD1 3.88Å
33	Q	98.3	Very high	97.8	Very high	93 Å²	93	51.8 Å²	51.8	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-48.6	177.8	-177.2	179.8	68.9	0	0	112.1	C29 E30 F31 L40 L132	C29-Q33 WeakPolarHBondContact O-CB 3.46Å; C29-Q33 PolarHBondContact O-N 3.32Å; E30-Q33 PolarHBondContact O-N 2.84Å; F31-Q33 VanDerWaalsContact C-N 3.29Å; F31-Q33 PolarHBondContact O-N 3.2Å; Q33-L40 HydrophobicContact CB-CD1 3.95Å; Q33-L40 HydrophobicContact CB-CD2 4.26Å; Q33-L40 HydrophobicContact CB-CG 4.48Å; Q33-L40 HydrophobicContact CG-CD1 3.88Å; Q33-L132 HydrophobicContact CB-CD1 4.12Å
34	K	98	Very high	97.8	Very high	126 Å²	126	53.7 Å²	53.7	55%	0.548	25%	0.248	S	C	.	.	H	α-helix	trans	-69.2	-46	-176.5	-73.1	-179	-176.5	174	0	112.1	E30 F31 R36	E30-K34 HydrophobicContact CG-CD 3.96Å; E30-K34 VanDerWaalsContact CG-CE 3.49Å; E30-K34 HydrophobicContact CG-CG 4.44Å; E30-K34 WeakPolarHBondContact O-CB 3.33Å; E30-K34 WeakPolarHBondContact O-CG 3.32Å; E30-K34 PolarHBondContact O-N 3.46Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.65Å; E30-K34 PolarHBondContact OE1-NZ 2.9Å; E30-K34 IonicContact OE2-NZ 3.88Å; F31-K34 PolarHBondContact O-N 3Å; K34-R36 VanDerWaalsContact C-N 3.33Å
35	E	97.8	Very high	97.8	Very high	122 Å²	122	53.6 Å²	53.6	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-84.6	-9.4	-177.1	-58.2	-55.4	137.5	0	0	113	F31 T37	F31-E35 HydrophobicContact CD1-CG 4.37Å; F31-E35 HydrophobicContact CD2-CG 3.91Å; F31-E35 HydrophobicContact CE1-CB 4.28Å; F31-E35 HydrophobicContact CE1-CG 4.11Å; F31-E35 HydrophobicContact CE2-CG 3.62Å; F31-E35 HydrophobicContact CG-CG 4.28Å; F31-E35 HydrophobicContact CZ-CB 4.28Å; F31-E35 HydrophobicContact CZ-CG 3.73Å; F31-E35 WeakPolarHBondContact O-CB 3.45Å; F31-E35 WeakPolarHBondContact O-CG 3.49Å; F31-E35 PolarHBondContact O-N 2.84Å; E35-T37 HydrophobicContact CB-CG2 3.67Å; E35-T37 PolarHBondContact O-N 3.39Å
36	R	96.6	Very high	97.8	Very high	218 Å²	218	53.4 Å²	53.4	82%	0.823	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.5	179.5	-56.3	179.8	178.4	179.8	-1.6	113	V32 K34 A38	V32-R36 VanDerWaalsContact O-CA 3.22Å; V32-R36 WeakPolarHBondContact O-CA 3.49Å; V32-R36 PolarHBondContact O-N 2.91Å; K34-R36 VanDerWaalsContact C-N 3.33Å; R36-A38 VanDerWaalsContact C-N 3.31Å; R36-A38 PolarHBondContact O-N 3.32Å
37	T	96.8	Very high	97.8	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.221	24%	0.24	C	C	.	.			trans	-77.6	-17.2	-175.5	52.6	0	0	0	0	113.2	H5 I7 F31 V32 E35	H5-T37 PolarHBondContact CE1-O 3.33Å; I7-T37 WeakPolarHBondContact O-CB 3.32Å; I7-T37 PolarHBondContact O-OG1 2.98Å; F31-T37 HydrophobicContact CE1-CG2 4.06Å; V32-T37 PolarHBondContact O-N 3.39Å; E35-T37 HydrophobicContact CB-CG2 3.67Å; E35-T37 PolarHBondContact O-N 3.39Å
38	A	95.7	Very high	97.8	Very high	17 Å²	17	50 Å²	50	14%	0.14	23%	0.233	C	C	.	.	S	Bend	trans	-157.6	159.8	171.8	0	0	0	0	0	111.7	I7 V32 R36 L40	I7-A38 HydrophobicContact CB-CB 3.95Å; I7-A38 HydrophobicContact CD1-CB 4.48Å; I7-A38 HydrophobicContact CG2-CB 3.56Å; V32-A38 HydrophobicContact CG1-CB 4.03Å; V32-A38 WeakPolarHBondContact CG1-O 3.2Å; R36-A38 VanDerWaalsContact C-N 3.31Å; R36-A38 PolarHBondContact O-N 3.32Å; A38-L40 PolarHBondContact O-N 3.38Å
39	P	95.6	Very high	97.8	Very high	62 Å²	62	49.8 Å²	49.8	40%	0.403	23%	0.231	S	C	.	.			trans	-64.5	129.4	170.9	-17.2	31.4	0	0	0	111	E41 Q42	P39-E41 WeakPolarHBondContact CB-OE2 3.32Å; P39-E41 PolarHBondContact O-N 3.21Å; P39-Q42 HydrophobicContact CB-CG 4.29Å; P39-Q42 PolarHBondContact O-N 3.32Å
40	L	96	Very high	97.8	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66.2	-25.3	-179.9	-76.3	-178.7	0	0	0	112.5	V32 Q33 A38 Q42 L43 A128 L132	V32-L40 HydrophobicContact CB-CD2 4.45Å; V32-L40 HydrophobicContact CG1-CD2 4.15Å; Q33-L40 HydrophobicContact CB-CD1 3.95Å; Q33-L40 HydrophobicContact CB-CD2 4.26Å; Q33-L40 HydrophobicContact CB-CG 4.48Å; Q33-L40 HydrophobicContact CG-CD1 3.88Å; A38-L40 PolarHBondContact O-N 3.38Å; L40-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact O-N 3.17Å; L40-L43 HydrophobicContact CD2-CD1 4.22Å; L40-L43 WeakPolarHBondContact O-CB 3.47Å; L40-L43 PolarHBondContact O-N 3.17Å; L40-A128 HydrophobicContact CD2-CB 4.38Å; L40-L132 HydrophobicContact CD1-CD1 4.36Å
41	E	96.3	Very high	97.7	Very high	145 Å²	145	54.4 Å²	54.4	68%	0.678	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.7	178.7	-52	77.6	-169.6	0	0	112.1	P39	P39-E41 WeakPolarHBondContact CB-OE2 3.32Å; P39-E41 PolarHBondContact O-N 3.21Å
42	Q	96.1	Very high	97.7	Very high	61 Å²	61	58.1 Å²	58.1	29%	0.285	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-89.1	-5.9	173.4	-65.2	179.8	4.5	0	0	112.6	P39 L40 Q79 V80	P39-Q42 HydrophobicContact CB-CG 4.29Å; P39-Q42 PolarHBondContact O-N 3.32Å; L40-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-Q79 CarbonylContact O-C 3.46Å; Q42-Q79 WeakPolarHBondContact O-CA 3.25Å; Q42-V80 PolarHBondContact O-N 2.98Å
43	L	98.4	Very high	97.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.1	-173.7	-63.7	-168	0	0	0	112.1	I7 V32 L40 L77 L78 Q79 A128	I7-L43 HydrophobicContact CD1-CD1 4.18Å; I7-L43 HydrophobicContact CD1-CD2 3.6Å; V32-L43 HydrophobicContact CB-CD1 3.93Å; V32-L43 HydrophobicContact CG1-CD1 3.68Å; V32-L43 HydrophobicContact CG2-CD1 3.88Å; L40-L43 HydrophobicContact CD2-CD1 4.22Å; L40-L43 WeakPolarHBondContact O-CB 3.47Å; L40-L43 PolarHBondContact O-N 3.17Å; L43-L77 HydrophobicContact CB-CD1 4.15Å; L43-L77 HydrophobicContact CD1-CD1 4.42Å; L43-L77 HydrophobicContact CD1-CD2 4.5Å; L43-L77 HydrophobicContact CD2-CD1 4.5Å; L43-L78 WeakPolarHBondContact CA-O 3.48Å; L43-Q79 HydrophobicContact CD2-CB 3.59Å; L43-Q79 HydrophobicContact CD2-CG 3.73Å; L43-A128 HydrophobicContact CB-CB 3.6Å; L43-A128 WeakPolarHBondContact O-CB 3.29Å; L43-A128 PolarHBondContact O-N 3.08Å
44	F	98.9	Very high	97.7	Very high	40 Å²	40	62.3 Å²	62.3	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135	178.4	-58.8	-95.7	0	0	0	110	L78 V80 V125 I126 P127	F44-L78 HydrophobicContact CB-CB 4.34Å; F44-L78 PolarHBondContact N-O 3.39Å; F44-L78 PolarHBondContact O-N 3.07Å; F44-V80 HydrophobicContact CD2-CB 4.46Å; F44-V80 HydrophobicContact CD2-CG2 3.66Å; F44-V80 HydrophobicContact CE2-CB 4.1Å; F44-V80 HydrophobicContact CE2-CG2 3.62Å; F44-V125 HydrophobicContact CB-CG1 3.66Å; F44-V125 HydrophobicContact CD1-CG1 3.79Å; F44-V125 HydrophobicContact CG-CG1 3.95Å; F44-I126 CarbonylContact C-O 3.55Å; F44-I126 WeakPolarHBondContact CA-O 3.38Å; F44-P127 HydrophobicContact CD1-CG 4.44Å; F44-P127 HydrophobicContact CE1-CG 4.28Å
45	V	98.9	Very high	97.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.5	169.9	178.3	0	0	0	0	108.1	V25 C29 F47 V75 L77 I126 F131	V25-V45 HydrophobicContact CG1-CB 4.22Å; V25-V45 HydrophobicContact CG1-CG1 3.72Å; V25-V45 HydrophobicContact CG1-CG2 3.66Å; C29-V45 VanDerWaalsContact SG-CG2 3.58Å; V45-F47 HydrophobicContact CG1-CD2 3.97Å; V45-F47 HydrophobicContact CG1-CE2 3.69Å; V45-V75 HydrophobicContact CG1-CG1 3.49Å; V45-V75 VanDerWaalsContact CG1-CG1 3.49Å; V45-L77 HydrophobicContact CG2-CD1 4.44Å; V45-I126 PolarHBondContact N-O 3.49Å; V45-I126 WeakPolarHBondContact O-CD1 3.39Å; V45-I126 PolarHBondContact O-N 2.99Å; V45-F131 HydrophobicContact CB-CB 4.3Å; V45-F131 HydrophobicContact CB-CD1 4.15Å; V45-F131 HydrophobicContact CB-CD2 4.48Å; V45-F131 HydrophobicContact CB-CG 4.07Å; V45-F131 HydrophobicContact CG1-CD1 4.12Å; V45-F131 HydrophobicContact CG1-CD2 4.25Å; V45-F131 HydrophobicContact CG1-CE1 4.06Å; V45-F131 HydrophobicContact CG1-CE2 4.26Å; V45-F131 HydrophobicContact CG1-CG 4.19Å; V45-F131 HydrophobicContact CG1-CZ 4.16Å; V45-F131 HydrophobicContact CG2-CB 3.97Å; V45-F131 HydrophobicContact CG2-CD1 3.52Å; V45-F131 HydrophobicContact CG2-CE1 4.11Å; V45-F131 HydrophobicContact CG2-CG 3.81Å
46	V	98.9	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	107.3	-176	-172.3	0	0	0	0	109.1	I48 V75 I76 L78 L123 R124 V125 F189	V46-I48 HydrophobicContact CG1-CG1 4.26Å; V46-V75 WeakPolarHBondContact O-CA 3.43Å; V46-I76 HydrophobicContact CB-CD1 4.33Å; V46-I76 HydrophobicContact CB-CG1 3.73Å; V46-I76 HydrophobicContact CG1-CG1 4.4Å; V46-I76 HydrophobicContact CG2-CG1 4.37Å; V46-I76 PolarHBondContact N-O 2.8Å; V46-I76 PolarHBondContact O-N 2.94Å; V46-L78 HydrophobicContact CG2-CB 3.82Å; V46-L78 HydrophobicContact CG2-CD2 4.33Å; V46-L123 HydrophobicContact CG1-CB 3.92Å; V46-L123 HydrophobicContact CG1-CD2 3.71Å; V46-L123 HydrophobicContact CG1-CG 4.3Å; V46-R124 CarbonylContact C-O 3.54Å; V46-R124 VanDerWaalsContact CA-O 3.29Å; V46-R124 WeakPolarHBondContact CA-O 3.14Å; V46-V125 HydrophobicContact CG1-CG2 4.24Å; V46-V125 HydrophobicContact CG2-CG1 4.34Å; V46-V125 HydrophobicContact CG2-CG2 4.26Å; V46-F189 HydrophobicContact CG1-CE2 4.17Å; V46-F189 HydrophobicContact CG1-CZ 4.39Å; V46-F189 HydrophobicContact CG2-CE2 4.2Å; V46-F189 HydrophobicContact CG2-CZ 4.43Å
47	F	98.9	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.1	168.2	-78.8	-108.9	0	0	0	108.7	E22 V45 Y73 V75 L123 R124 I126 F131 F135 L168 F171 I172 M174	E22-F47 HydrophobicContact CB-CE1 4.09Å; E22-F47 HydrophobicContact CB-CZ 3.92Å; V45-F47 HydrophobicContact CG1-CD2 3.97Å; V45-F47 HydrophobicContact CG1-CE2 3.69Å; F47-Y73 HydrophobicContact CD1-CD2 4.13Å; F47-Y73 HydrophobicContact CE1-CD2 4.29Å; F47-Y73 HydrophobicContact CE1-CE2 4.34Å; F47-V75 HydrophobicContact CD1-CG2 3.5Å; F47-V75 VanDerWaalsContact CD1-CG2 3.5Å; F47-V75 HydrophobicContact CD2-CG1 4.03Å; F47-V75 HydrophobicContact CD2-CG2 4.18Å; F47-V75 HydrophobicContact CE1-CG2 3.41Å; F47-V75 VanDerWaalsContact CE1-CG2 3.41Å; F47-V75 HydrophobicContact CE2-CG1 3.9Å; F47-V75 HydrophobicContact CE2-CG2 4.11Å; F47-V75 HydrophobicContact CG-CG1 4.47Å; F47-V75 HydrophobicContact CG-CG2 3.89Å; F47-V75 HydrophobicContact CZ-CG1 4.23Å; F47-V75 HydrophobicContact CZ-CG2 3.74Å; F47-L123 CarbonylContact O-C 3.53Å; F47-L123 VanDerWaalsContact O-CA 3.31Å; F47-L123 WeakPolarHBondContact O-CA 3.16Å; F47-R124 HydrophobicContact CB-CB 4.28Å; F47-R124 PolarHBondContact N-O 3.14Å; F47-R124 PolarHBondContact O-N 2.84Å; F47-I126 HydrophobicContact CD2-CD1 3.68Å; F47-I126 HydrophobicContact CE2-CD1 4.28Å; F47-F131 HydrophobicContact CE2-CD2 4.22Å; F47-F131 AromaticContact CE2-CE2 3.52Å; F47-F131 HydrophobicContact CE2-CE2 3.52Å; F47-F131 HydrophobicContact CE2-CZ 4.02Å; F47-F131 AromaticContact CZ-CE2 3.75Å; F47-F131 HydrophobicContact CZ-CE2 3.75Å; F47-F131 HydrophobicContact CZ-CZ 4.08Å; F47-F135 HydrophobicContact CZ-CE2 4.43Å; F47-L168 HydrophobicContact CE1-CD1 3.82Å; F47-L168 HydrophobicContact CZ-CD1 4.4Å; F47-F171 HydrophobicContact CD1-CB 3.93Å; F47-F171 HydrophobicContact CD2-CB 4.15Å; F47-F171 HydrophobicContact CE1-CB 3.64Å; F47-F171 HydrophobicContact CE2-CB 3.87Å; F47-F171 HydrophobicContact CE2-CD1 4.04Å; F47-F171 HydrophobicContact CE2-CG 4.24Å; F47-F171 HydrophobicContact CG-CB 4.19Å; F47-F171 HydrophobicContact CZ-CB 3.61Å; F47-F171 HydrophobicContact CZ-CD1 4.38Å; F47-F171 HydrophobicContact CZ-CG 4.15Å; F47-I172 HydrophobicContact CD1-CG1 4.28Å; F47-I172 HydrophobicContact CE1-CG1 4.44Å; F47-M174 HydrophobicContact CB-CE 4.04Å
48	I	98.9	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.2	-179.1	-51.9	150.1	0	0	0	107	V46 I55 Y73 H74 I76 F109 R121 K122 L123	V46-I48 HydrophobicContact CG1-CG1 4.26Å; I48-I55 HydrophobicContact CB-CD1 4.38Å; I48-I55 HydrophobicContact CG2-CD1 3.83Å; I48-I55 HydrophobicContact CG2-CG1 4.39Å; I48-Y73 CarbonylContact O-C 3.54Å; I48-Y73 WeakPolarHBondContact O-CA 3.42Å; I48-H74 HydrophobicContact CD1-CB 4.48Å; I48-H74 PolarHBondContact N-O 3.46Å; I48-H74 PolarHBondContact O-N 3.28Å; I48-I76 HydrophobicContact CD1-CD1 4.1Å; I48-I76 HydrophobicContact CD1-CG1 4.17Å; I48-I76 HydrophobicContact CD1-CG2 4.21Å; I48-F109 HydrophobicContact CD1-CE1 3.69Å; I48-F109 HydrophobicContact CD1-CZ 3.94Å; I48-F109 HydrophobicContact CG1-CE1 4.24Å; I48-F109 HydrophobicContact CG1-CZ 4.43Å; I48-F109 HydrophobicContact CG2-CE1 4.48Å; I48-R121 HydrophobicContact CG2-CB 4.08Å; I48-R121 HydrophobicContact CG2-CG 4.1Å; I48-K122 WeakPolarHBondContact CA-O 3.33Å; I48-L123 HydrophobicContact CG1-CD2 4.08Å; I48-L123 HydrophobicContact CG1-CG 4.26Å; I48-L123 HydrophobicContact CG2-CG 4.49Å
49	S	98.9	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-167.5	176.9	-166.2	0	0	0	0	109.7	I55 D72 K122	S49-I55 VanDerWaalsContact C-CG2 3.42Å; S49-D72 PolarHBondContact OG-O 3.29Å; S49-K122 PolarHBondContact N-O 2.8Å; S49-K122 VanDerWaalsContact N-O 3.13Å; S49-K122 PolarHBondContact O-N 2.97Å; S49-K122 VanDerWaalsContact O-O 3.08Å
50	N	98.6	Very high	98.2	Very high	11 Å²	11	39 Å²	39	6%	0.059	18%	0.179	C	C	.	.			trans	-157.6	179.5	169.6	63.7	19.1	0	0	0	110.3	K52 R53 M54 I55 E118 H120	N50-K52 PolarHBondContact O-N 3.02Å; N50-K52 PolarHBondContact OD1-N 3.41Å; N50-K52 VanDerWaalsContact OD1-N 3.11Å; N50-R53 PolarHBondContact O-N 3Å; N50-R53 PolarHBondContact OD1-N 3.48Å; N50-M54 PolarHBondContact ND2-O 2.69Å; N50-M54 PolarHBondContact OD1-N 2.89Å; N50-I55 HydrophobicContact CB-CG2 4.01Å; N50-I55 WeakPolarHBondContact ND2-CG2 3.47Å; N50-E118 PolarHBondContact ND2-O 2.91Å; N50-H120 WeakPolarHBondContact CB-O 3.31Å; N50-H120 PolarHBondContact ND2-O 2.78Å; N50-H120 VanDerWaalsContact ND2-O 3.1Å
51	D	97.6	Very high	98.2	Very high	120 Å²	120	42.4 Å²	42.4	64%	0.642	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.9	-175.1	-49.4	-17.6	0	0	0	112.7	K122	D51-K122 IonicContact OD1-NZ 3.38Å; D51-K122 PolarHBondContact OD1-NZ 2.95Å; D51-K122 IonicContact OD2-NZ 3.6Å; D51-K122 PolarHBondContact OD2-NZ 2.95Å
52	K	98.3	Very high	98.2	Very high	144 Å²	144	38.6 Å²	38.6	63%	0.626	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.7	176.4	-64.6	-57.4	-175.8	-175.2	0	113.6	N50 M54 E118	N50-K52 PolarHBondContact O-N 3.02Å; N50-K52 PolarHBondContact OD1-N 3.41Å; N50-K52 VanDerWaalsContact OD1-N 3.11Å; K52-M54 HydrophobicContact CB-CB 4.34Å; K52-M54 WeakPolarHBondContact O-CG 3.07Å; K52-M54 PolarHBondContact O-N 3.5Å; K52-E118 HydrophobicContact CG-CB 4.35Å
53	R	98.4	Very high	98	Very high	105 Å²	105	36.8 Å²	36.8	40%	0.396	18%	0.18	S	C	.	.	S	Bend	trans	46.8	51.9	-169.7	-61.7	-172.9	-179.9	-164	-2.2	110.5	N50 D72 D169	N50-R53 PolarHBondContact O-N 3Å; N50-R53 PolarHBondContact OD1-N 3.48Å; R53-D72 WeakPolarHBondContact CA-O 3.34Å; R53-D72 HydrophobicContact CB-CB 3.95Å; R53-D72 VanDerWaalsContact O-CA 3.25Å; R53-D72 WeakPolarHBondContact O-CA 3.43Å; R53-D169 IonicContact CZ-OD1 3.99Å; R53-D169 IonicContact NH1-OD1 2.89Å; R53-D169 PolarHBondContact NH1-OD1 3.37Å; R53-D169 VanDerWaalsContact NH1-OD1 3.12Å; R53-D169 IonicContact NH2-OD1 2.9Å; R53-D169 PolarHBondContact NH2-OD1 2.89Å
54	M	98.4	Very high	97.6	Very high	76 Å²	76	44.3 Å²	44.3	37%	0.374	22%	0.215	S	C	.	.			trans	-145.4	87	179.5	-71.1	178.6	62.3	0	0	108.3	N50 K52 I70 W71 Y119	N50-M54 PolarHBondContact ND2-O 2.69Å; N50-M54 PolarHBondContact OD1-N 2.89Å; K52-M54 HydrophobicContact CB-CB 4.34Å; K52-M54 WeakPolarHBondContact O-CG 3.07Å; K52-M54 PolarHBondContact O-N 3.5Å; M54-I70 HydrophobicContact CB-CG2 4.15Å; M54-I70 HydrophobicContact CG-CG2 4.49Å; M54-W71 CarbonylContact C-O 3.57Å; M54-W71 WeakPolarHBondContact CA-O 3.36Å; M54-Y119 HydrophobicContact CB-CD1 4.07Å; M54-Y119 HydrophobicContact CB-CE1 4.08Å; M54-Y119 HydrophobicContact CE-CD1 4.49Å; M54-Y119 HydrophobicContact CE-CE1 3.47Å; M54-Y119 VanDerWaalsContact CE-CE1 3.47Å; M54-Y119 WeakPolarHBondContact CE-OH 3.45Å; M54-Y119 WeakPolarHBondContact O-CA 3.4Å; M54-Y119 WeakPolarHBondContact O-CD1 3.37Å
55	I	98.6	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.2	-179.8	60.1	100	0	0	0	111.5	I48 S49 N50 L57 I70 W71 H74 R121	I48-I55 HydrophobicContact CB-CD1 4.38Å; I48-I55 HydrophobicContact CG2-CD1 3.83Å; I48-I55 HydrophobicContact CG2-CG1 4.39Å; S49-I55 VanDerWaalsContact C-CG2 3.42Å; N50-I55 HydrophobicContact CB-CG2 4.01Å; N50-I55 WeakPolarHBondContact ND2-CG2 3.47Å; I55-L57 HydrophobicContact CD1-CB 4.47Å; I55-I70 WeakPolarHBondContact O-CA 3.32Å; I55-W71 HydrophobicContact CD1-CB 3.81Å; I55-W71 HydrophobicContact CD1-CG 4.48Å; I55-W71 HydrophobicContact CG1-CB 4.02Å; I55-W71 PolarHBondContact N-O 2.85Å; I55-W71 PolarHBondContact O-N 3.48Å; I55-H74 HydrophobicContact CD1-CB 4.48Å; I55-R121 HydrophobicContact CB-CG 3.61Å; I55-R121 HydrophobicContact CG2-CB 4.38Å; I55-R121 HydrophobicContact CG2-CG 3.67Å
56	P	98.4	Very high	96.8	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.032	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.9	173.3	31.1	-33	0	0	0	110.4	W58 P68 V69 I70 I115 Y119	P56-W58 HydrophobicContact CB-CH2 3.78Å; P56-W58 HydrophobicContact CB-CZ3 3.72Å; P56-W58 HydrophobicContact CG-CH2 4.09Å; P56-W58 HydrophobicContact CG-CZ3 3.99Å; P56-P68 HydrophobicContact CB-CB 3.67Å; P56-P68 HydrophobicContact CB-CG 3.92Å; P56-V69 WeakPolarHBondContact CA-O 3.39Å; P56-I70 HydrophobicContact CB-CD1 3.79Å; P56-I115 HydrophobicContact CG-CD1 4.02Å; P56-I115 HydrophobicContact CG-CG2 4.38Å; P56-Y119 WeakPolarHBondContact CD-O 3.4Å
57	L	98.4	Very high	96.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.8	171	-165.9	64.9	0	0	0	110.1	I55 Q60 P68 V69 H74 Y104 A108 F109	I55-L57 HydrophobicContact CD1-CB 4.47Å; L57-Q60 HydrophobicContact CB-CG 4.09Å; L57-Q60 VanDerWaalsContact CD2-CD 3.47Å; L57-Q60 HydrophobicContact CD2-CG 4.11Å; L57-Q60 HydrophobicContact CG-CG 4Å; L57-Q60 WeakPolarHBondContact O-CG 3.43Å; L57-P68 WeakPolarHBondContact O-CA 3.27Å; L57-V69 PolarHBondContact N-O 3.49Å; L57-V69 PolarHBondContact O-N 3.43Å; L57-H74 HydrophobicContact CD2-CB 4.32Å; L57-H74 WeakPolarHBondContact CD2-CD2 3.14Å; L57-Y104 HydrophobicContact CD1-CE1 4.44Å; L57-A108 HydrophobicContact CD1-CB 4.33Å; L57-F109 HydrophobicContact CD1-CD1 3.61Å; L57-F109 HydrophobicContact CD1-CE1 3.86Å
58	W	98.4	Very high	96.5	Very high	29 Å²	29	58.2 Å²	58.2	11%	0.11	31%	0.308	C	S	.	.	S	Bend	trans	-87	167.4	178.7	-75.4	-97.2	0	0	0	111.7	P56 Q60 D66 P68 M107 A108 R110 I115	P56-W58 HydrophobicContact CB-CH2 3.78Å; P56-W58 HydrophobicContact CB-CZ3 3.72Å; P56-W58 HydrophobicContact CG-CH2 4.09Å; P56-W58 HydrophobicContact CG-CZ3 3.99Å; W58-Q60 VanDerWaalsContact C-N 3.28Å; W58-Q60 PolarHBondContact O-N 2.76Å; W58-D66 PolarHBondContact NE1-O 3.24Å; W58-P68 HydrophobicContact CD2-CB 3.74Å; W58-P68 HydrophobicContact CD2-CG 4.44Å; W58-P68 HydrophobicContact CE3-CB 4.06Å; W58-P68 HydrophobicContact CG-CB 4.22Å; W58-P68 HydrophobicContact CH2-CB 4.14Å; W58-P68 HydrophobicContact CH2-CG 4.15Å; W58-P68 HydrophobicContact CZ2-CB 3.84Å; W58-P68 HydrophobicContact CZ2-CG 3.65Å; W58-P68 HydrophobicContact CZ3-CB 4.26Å; W58-M107 VanDerWaalsContact CB-O 3.32Å; W58-M107 WeakPolarHBondContact CB-O 3.23Å; W58-A108 PolarHBondContact N-O 2.99Å; W58-A108 WeakPolarHBondContact O-CA 3.39Å; W58-A108 WeakPolarHBondContact O-CB 3.41Å; W58-R110 HydrophobicContact CD2-CG 4.27Å; W58-R110 HydrophobicContact CE3-CB 4.44Å; W58-R110 HydrophobicContact CE3-CG 4.13Å; W58-I115 HydrophobicContact CH2-CD1 3.67Å; W58-I115 HydrophobicContact CZ3-CD1 3.97Å
59	K	98.1	Very high	96.5	Very high	52 Å²	52	59.4 Å²	59.4	23%	0.226	32%	0.315	C	S	.	.	S	Bend	trans	56.6	44.1	176.9	-54.5	-58.2	-179.5	-159.6	0	111.9	D66 S93 V94 L95 M107 A108	K59-D66 IonicContact NZ-OD1 3.59Å; K59-D66 PolarHBondContact NZ-OD1 3.44Å; K59-D66 VanDerWaalsContact NZ-OD1 3.14Å; K59-S93 CarbonylContact O-C 3.56Å; K59-S93 VanDerWaalsContact O-CA 3.22Å; K59-S93 WeakPolarHBondContact O-CA 3.33Å; K59-S93 PolarHBondContact O-OG 2.76Å; K59-V94 HydrophobicContact CB-CG2 3.79Å; K59-V94 HydrophobicContact CD-CG2 4.18Å; K59-V94 PolarHBondContact O-N 2.84Å; K59-L95 HydrophobicContact CB-CD1 4.35Å; K59-L95 HydrophobicContact CB-CD2 4.24Å; K59-L95 HydrophobicContact CB-CG 3.93Å; K59-L95 HydrophobicContact CG-CD2 4.11Å; K59-L95 HydrophobicContact CG-CG 4.3Å; K59-M107 HydrophobicContact CG-CB 4.23Å; K59-A108 HydrophobicContact CB-CB 4.48Å
60	Q	98.2	Very high	96.5	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.028	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-102.4	146.5	175.4	-64	-67.2	-72	0	0	110	L57 W58 S62 G63 V69 D90 D92	L57-Q60 HydrophobicContact CB-CG 4.09Å; L57-Q60 VanDerWaalsContact CD2-CD 3.47Å; L57-Q60 HydrophobicContact CD2-CG 4.11Å; L57-Q60 HydrophobicContact CG-CG 4Å; L57-Q60 WeakPolarHBondContact O-CG 3.43Å; W58-Q60 VanDerWaalsContact C-N 3.28Å; W58-Q60 PolarHBondContact O-N 2.76Å; Q60-S62 VanDerWaalsContact C-N 3.26Å; Q60-S62 PolarHBondContact O-N 3.38Å; Q60-G63 PolarHBondContact O-N 2.64Å; Q60-V69 HydrophobicContact CB-CB 4.21Å; Q60-V69 HydrophobicContact CB-CG2 3.65Å; Q60-V69 HydrophobicContact CG-CB 4.31Å; Q60-V69 HydrophobicContact CG-CG2 4.27Å; Q60-D90 PolarHBondContact NE2-OD2 2.62Å; Q60-D92 CarbonylContact C-O 3.55Å; Q60-D92 WeakPolarHBondContact CA-O 3.46Å
61	K	96.9	Very high	96.5	Very high	96 Å²	96	64.3 Å²	64.3	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.9	-178.7	-77	171.9	178.6	175.2	0	113	G63 L91 D92 V94	K61-G63 VanDerWaalsContact C-N 3.27Å; K61-L91 WeakPolarHBondContact CE-O 3.41Å; K61-L91 PolarHBondContact NZ-O 2.83Å; K61-D92 VanDerWaalsContact CG-O 3.32Å; K61-D92 WeakPolarHBondContact CG-O 3.48Å; K61-D92 PolarHBondContact N-O 3.15Å; K61-V94 HydrophobicContact CG-CG1 4.22Å
62	S	95.4	Very high	96.5	Very high	64 Å²	64	62.3 Å²	62.3	45%	0.448	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.8	176.2	50.8	0	0	0	0	113.5	Q60 V69	Q60-S62 VanDerWaalsContact C-N 3.26Å; Q60-S62 PolarHBondContact O-N 3.38Å; S62-V69 WeakPolarHBondContact OG-CG2 3.32Å
63	G	92.4	Very high	96.5	Very high	24 Å²	24	55.8 Å²	55.8	25%	0.247	30%	0.299	C	S	.	.			trans	-78.6	156.5	178.7	0	0	0	0	0	113.1	Q60 K61	Q60-G63 PolarHBondContact O-N 2.64Å; K61-G63 VanDerWaalsContact C-N 3.27Å
64	H	89.8	Confident	96.5	Very high	158 Å²	158	50.8 Å²	50.8	73%	0.731	28%	0.28	S	S	*	.			trans	-114.8	116.7	176.3	-66.5	-71.9	0	0	0	111	D66 Q67	H64-D66 PolarHBondContact O-N 2.96Å; H64-Q67 WeakPolarHBondContact O-CB 3.36Å; H64-Q67 PolarHBondContact O-N 3.49Å; H64-Q67 VanDerWaalsContact O-N 3.13Å
65	G	90.4	Very high	96.6	Very high	82 Å²	82	47.3 Å²	47.3	85%	0.845	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-123.3	179.1	0	0	0	0	0	112.4
66	D	90.2	Very high	96.6	Very high	81 Å²	81	47.3 Å²	47.3	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	14.5	176.9	-152.3	53.8	0	0	0	113.7	W58 K59 H64 R110	W58-D66 PolarHBondContact NE1-O 3.24Å; K59-D66 IonicContact NZ-OD1 3.59Å; K59-D66 PolarHBondContact NZ-OD1 3.44Å; K59-D66 VanDerWaalsContact NZ-OD1 3.14Å; H64-D66 PolarHBondContact O-N 2.96Å; D66-R110 IonicContact OD1-CZ 3.62Å; D66-R110 IonicContact OD1-NH2 3.63Å; D66-R110 PolarHBondContact OD1-NH2 3.03Å; D66-R110 IonicContact OD2-CZ 2.97Å; D66-R110 IonicContact OD2-NH1 3.12Å; D66-R110 PolarHBondContact OD2-NH1 3.31Å; D66-R110 IonicContact OD2-NH2 3.75Å; D66-R110 PolarHBondContact OD2-NH2 3.14Å
67	Q	95.1	Very high	96.6	Very high	137 Å²	137	47 Å²	47	64%	0.64	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-79.9	144.8	174.1	-61.7	-59.7	-34	0	0	111	H64	H64-Q67 WeakPolarHBondContact O-CB 3.36Å; H64-Q67 PolarHBondContact O-N 3.49Å; H64-Q67 VanDerWaalsContact O-N 3.13Å
68	P	97.4	Very high	96.6	Very high	32 Å²	32	47 Å²	47	21%	0.208	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.9	155.8	171.6	31.1	-32	0	0	0	110.9	P56 L57 W58 I70	P56-P68 HydrophobicContact CB-CB 3.67Å; P56-P68 HydrophobicContact CB-CG 3.92Å; L57-P68 WeakPolarHBondContact O-CA 3.27Å; W58-P68 HydrophobicContact CD2-CB 3.74Å; W58-P68 HydrophobicContact CD2-CG 4.44Å; W58-P68 HydrophobicContact CE3-CB 4.06Å; W58-P68 HydrophobicContact CG-CB 4.22Å; W58-P68 HydrophobicContact CH2-CB 4.14Å; W58-P68 HydrophobicContact CH2-CG 4.15Å; W58-P68 HydrophobicContact CZ2-CB 3.84Å; W58-P68 HydrophobicContact CZ2-CG 3.65Å; W58-P68 HydrophobicContact CZ3-CB 4.26Å; P68-I70 HydrophobicContact CG-CD1 4.17Å
69	V	98.3	Very high	96.6	Very high	25 Å²	25	46.3 Å²	46.3	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.3	157	178.1	0	0	0	0	107.3	P56 L57 Q60 S62 W71	P56-V69 WeakPolarHBondContact CA-O 3.39Å; L57-V69 PolarHBondContact N-O 3.49Å; L57-V69 PolarHBondContact O-N 3.43Å; Q60-V69 HydrophobicContact CB-CB 4.21Å; Q60-V69 HydrophobicContact CB-CG2 3.65Å; Q60-V69 HydrophobicContact CG-CB 4.31Å; Q60-V69 HydrophobicContact CG-CG2 4.27Å; S62-V69 WeakPolarHBondContact OG-CG2 3.32Å; V69-W71 HydrophobicContact CG1-CD2 4.01Å; V69-W71 HydrophobicContact CG1-CG 4.16Å; V69-W71 HydrophobicContact CG1-CZ2 3.98Å
70	I	98.3	Very high	96.5	Very high	86 Å²	86	45.7 Å²	45.7	44%	0.441	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.5	172.9	-52.3	-54.9	0	0	0	107.7	M54 I55 P56 P68 Y119	M54-I70 HydrophobicContact CB-CG2 4.15Å; M54-I70 HydrophobicContact CG-CG2 4.49Å; I55-I70 WeakPolarHBondContact O-CA 3.32Å; P56-I70 HydrophobicContact CB-CD1 3.79Å; P68-I70 HydrophobicContact CG-CD1 4.17Å; I70-Y119 HydrophobicContact CG2-CE1 4.49Å
71	W	98.6	Very high	96.1	Very high	27 Å²	27	49.1 Å²	49.1	10%	0.102	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.3	178.1	-68.1	101.1	0	0	0	110.8	M54 I55 V69 H74	M54-W71 CarbonylContact C-O 3.57Å; M54-W71 WeakPolarHBondContact CA-O 3.36Å; I55-W71 HydrophobicContact CD1-CB 3.81Å; I55-W71 HydrophobicContact CD1-CG 4.48Å; I55-W71 HydrophobicContact CG1-CB 4.02Å; I55-W71 PolarHBondContact N-O 2.85Å; I55-W71 PolarHBondContact O-N 3.48Å; V69-W71 HydrophobicContact CG1-CD2 4.01Å; V69-W71 HydrophobicContact CG1-CG 4.16Å; V69-W71 HydrophobicContact CG1-CZ2 3.98Å; W71-H74 HydrophobicContact CG-CB 4.29Å
72	D	98.4	Very high	95.4	Very high	78 Å²	78	50 Å²	50	42%	0.417	29%	0.288	S	S	.	.	S	Bend	trans	-72.2	-45.5	163.3	55	-14.5	0	0	0	111.3	S49 R53	S49-D72 PolarHBondContact OG-O 3.29Å; R53-D72 WeakPolarHBondContact CA-O 3.34Å; R53-D72 HydrophobicContact CB-CB 3.95Å; R53-D72 VanDerWaalsContact O-CA 3.25Å; R53-D72 WeakPolarHBondContact O-CA 3.43Å
73	Y	98.9	Very high	94.8	Very high	8 Å²	8	55.9 Å²	55.9	3%	0.031	31%	0.309	C	S	.	.			trans	-150.6	161	162	69.2	-78.1	0	0	0	109.8	E22 F47 I48 V75 H141 L168 I172	E22-Y73 HydrophobicContact CB-CE2 4.39Å; E22-Y73 VanDerWaalsContact CD-OH 3.28Å; E22-Y73 WeakPolarHBondContact OE2-CE2 3.37Å; E22-Y73 PolarHBondContact OE2-OH 3.04Å; F47-Y73 HydrophobicContact CD1-CD2 4.13Å; F47-Y73 HydrophobicContact CE1-CD2 4.29Å; F47-Y73 HydrophobicContact CE1-CE2 4.34Å; I48-Y73 CarbonylContact O-C 3.54Å; I48-Y73 WeakPolarHBondContact O-CA 3.42Å; Y73-V75 HydrophobicContact CD2-CG2 3.89Å; Y73-V75 HydrophobicContact CE2-CG2 3.97Å; Y73-H141 PolarHBondContact OH-NE2 3.3Å; Y73-L168 HydrophobicContact CE2-CD1 4.36Å; Y73-I172 HydrophobicContact CD1-CD1 3.37Å; Y73-I172 HydrophobicContact CD1-CG1 3.85Å; Y73-I172 HydrophobicContact CD2-CD1 4.24Å; Y73-I172 HydrophobicContact CD2-CG1 3.97Å; Y73-I172 HydrophobicContact CE1-CD1 3.45Å; Y73-I172 VanDerWaalsContact CE1-CD1 3.45Å; Y73-I172 HydrophobicContact CE1-CG1 4.24Å; Y73-I172 HydrophobicContact CE2-CD1 4.31Å; Y73-I172 HydrophobicContact CE2-CG1 4.36Å; Y73-I172 HydrophobicContact CG-CD1 3.8Å; Y73-I172 HydrophobicContact CG-CG1 3.71Å; Y73-I172 HydrophobicContact CG-CG2 4.42Å
74	H	98.9	Very high	94.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.5	169.1	-168.6	51.6	0	0	0	110.4	I48 I55 L57 W71 D90 D92	I48-H74 HydrophobicContact CD1-CB 4.48Å; I48-H74 PolarHBondContact N-O 3.46Å; I48-H74 PolarHBondContact O-N 3.28Å; I55-H74 HydrophobicContact CD1-CB 4.48Å; L57-H74 HydrophobicContact CD2-CB 4.32Å; L57-H74 WeakPolarHBondContact CD2-CD2 3.14Å; W71-H74 HydrophobicContact CG-CB 4.29Å; H74-D90 IonicContact CE1-OD1 2.78Å; H74-D90 IonicContact NE2-OD1 2.86Å; H74-D90 PolarHBondContact NE2-OD1 3.1Å; H74-D90 IonicContact NE2-OD2 2.95Å; H74-D90 PolarHBondContact NE2-OD2 2.93Å; H74-D92 IonicContact CE1-OD2 3.88Å
75	V	98.9	Very high	94.5	Very high	2 Å²	2	53 Å²	53	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.7	-178.2	-167.9	0	0	0	0	110.4	C21 E22 V25 V45 V46 F47 Y73	C21-V75 HydrophobicContact CB-CB 4.26Å; C21-V75 PolarHBondContact SG-N 3.44Å; E22-V75 HydrophobicContact CB-CG2 3.96Å; V25-V75 HydrophobicContact CB-CG1 3.92Å; V25-V75 HydrophobicContact CG1-CG1 4.11Å; V25-V75 HydrophobicContact CG2-CB 4.31Å; V25-V75 HydrophobicContact CG2-CG1 3.95Å; V45-V75 HydrophobicContact CG1-CG1 3.49Å; V45-V75 VanDerWaalsContact CG1-CG1 3.49Å; V46-V75 WeakPolarHBondContact O-CA 3.43Å; F47-V75 HydrophobicContact CD1-CG2 3.5Å; F47-V75 VanDerWaalsContact CD1-CG2 3.5Å; F47-V75 HydrophobicContact CD2-CG1 4.03Å; F47-V75 HydrophobicContact CD2-CG2 4.18Å; F47-V75 HydrophobicContact CE1-CG2 3.41Å; F47-V75 VanDerWaalsContact CE1-CG2 3.41Å; F47-V75 HydrophobicContact CE2-CG1 3.9Å; F47-V75 HydrophobicContact CE2-CG2 4.11Å; F47-V75 HydrophobicContact CG-CG1 4.47Å; F47-V75 HydrophobicContact CG-CG2 3.89Å; F47-V75 HydrophobicContact CZ-CG1 4.23Å; F47-V75 HydrophobicContact CZ-CG2 3.74Å; Y73-V75 HydrophobicContact CD2-CG2 3.89Å; Y73-V75 HydrophobicContact CE2-CG2 3.97Å
76	I	98.9	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.2	175.4	64.8	175.4	0	0	0	110.1	V46 I48 V88 D90 Y104 F109	V46-I76 HydrophobicContact CB-CD1 4.33Å; V46-I76 HydrophobicContact CB-CG1 3.73Å; V46-I76 HydrophobicContact CG1-CG1 4.4Å; V46-I76 HydrophobicContact CG2-CG1 4.37Å; V46-I76 PolarHBondContact N-O 2.8Å; V46-I76 PolarHBondContact O-N 2.94Å; I48-I76 HydrophobicContact CD1-CD1 4.1Å; I48-I76 HydrophobicContact CD1-CG1 4.17Å; I48-I76 HydrophobicContact CD1-CG2 4.21Å; I76-V88 HydrophobicContact CB-CG1 4.18Å; I76-V88 HydrophobicContact CD1-CG1 3.76Å; I76-V88 HydrophobicContact CD1-CG2 4.43Å; I76-V88 HydrophobicContact CG1-CG1 4.43Å; I76-D90 HydrophobicContact CG2-CB 3.74Å; I76-Y104 HydrophobicContact CD1-CE1 4.2Å; I76-F109 HydrophobicContact CD1-CZ 3.97Å
77	L	98.9	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.2	167.7	174	72.4	0	0	0	109.6	V25 L28 L43 V45 V88 Y89	V25-L77 HydrophobicContact CG1-CB 3.96Å; L28-L77 HydrophobicContact CB-CD2 3.91Å; L28-L77 HydrophobicContact CD1-CB 4.39Å; L28-L77 HydrophobicContact CD1-CD2 4.28Å; L43-L77 HydrophobicContact CB-CD1 4.15Å; L43-L77 HydrophobicContact CD1-CD1 4.42Å; L43-L77 HydrophobicContact CD1-CD2 4.5Å; L43-L77 HydrophobicContact CD2-CD1 4.5Å; V45-L77 HydrophobicContact CG2-CD1 4.44Å; L77-V88 CarbonylContact O-C 3.18Å; L77-V88 WeakPolarHBondContact O-CA 3.44Å; L77-Y89 HydrophobicContact CB-CD2 4.48Å; L77-Y89 HydrophobicContact CD2-CD2 4.13Å; L77-Y89 HydrophobicContact CD2-CG 4.31Å; L77-Y89 HydrophobicContact CG-CD2 4.19Å; L77-Y89 PolarHBondContact N-O 2.85Å; L77-Y89 VanDerWaalsContact N-O 3.14Å; L77-Y89 PolarHBondContact O-N 2.93Å
78	L	98.7	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.6	175.5	178.1	71.4	0	0	0	109.3	L43 F44 V46 V80 L87 V88 L101 F189 Y193	L43-L78 WeakPolarHBondContact CA-O 3.48Å; F44-L78 HydrophobicContact CB-CB 4.34Å; F44-L78 PolarHBondContact N-O 3.39Å; F44-L78 PolarHBondContact O-N 3.07Å; V46-L78 HydrophobicContact CG2-CB 3.82Å; V46-L78 HydrophobicContact CG2-CD2 4.33Å; L78-V80 HydrophobicContact CD2-CG2 4.02Å; L78-V80 HydrophobicContact CG-CG2 4.21Å; L78-L87 CarbonylContact C-O 3.22Å; L78-L87 WeakPolarHBondContact CA-O 3.35Å; L78-V88 HydrophobicContact CD1-CG2 4.17Å; L78-L101 HydrophobicContact CD1-CD1 4.46Å; L78-L101 HydrophobicContact CD1-CD2 4.09Å; L78-F189 HydrophobicContact CD2-CE2 4.03Å; L78-F189 HydrophobicContact CD2-CZ 4.12Å; L78-Y193 HydrophobicContact CD2-CD1 3.77Å; L78-Y193 HydrophobicContact CD2-CD2 4.39Å; L78-Y193 HydrophobicContact CD2-CE1 4.22Å; L78-Y193 HydrophobicContact CD2-CG 3.86Å
79	Q	97.8	Very high	95.4	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.065	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.7	167.8	-178.8	-174.9	16.3	0	0	109.7	I7 Q42 L43 R81 S86 L87 Y89	I7-Q79 HydrophobicContact CD1-CB 4.41Å; I7-Q79 HydrophobicContact CD1-CG 4.42Å; Q42-Q79 CarbonylContact O-C 3.46Å; Q42-Q79 WeakPolarHBondContact O-CA 3.25Å; L43-Q79 HydrophobicContact CD2-CB 3.59Å; L43-Q79 HydrophobicContact CD2-CG 3.73Å; Q79-R81 HydrophobicContact CG-CG 4.07Å; Q79-S86 CarbonylContact O-C 3.52Å; Q79-S86 VanDerWaalsContact O-CA 3.25Å; Q79-S86 WeakPolarHBondContact O-CA 3.37Å; Q79-S86 WeakPolarHBondContact O-CB 3.43Å; Q79-L87 HydrophobicContact CB-CB 4.35Å; Q79-L87 PolarHBondContact N-O 3.01Å; Q79-L87 PolarHBondContact O-N 3.29Å; Q79-Y89 HydrophobicContact CB-CE2 3.85Å; Q79-Y89 PolarHBondContact OE1-OH 2.83Å
80	V	95.9	Very high	95.4	Very high	40 Å²	40	37.5 Å²	37.5	24%	0.242	20%	0.198	C	C	.	.			trans	-86.1	126.6	175.5	-179	0	0	0	0	109.2	Q42 F44 L78 Y193	Q42-V80 PolarHBondContact O-N 2.98Å; F44-V80 HydrophobicContact CD2-CB 4.46Å; F44-V80 HydrophobicContact CD2-CG2 3.66Å; F44-V80 HydrophobicContact CE2-CB 4.1Å; F44-V80 HydrophobicContact CE2-CG2 3.62Å; L78-V80 HydrophobicContact CD2-CG2 4.02Å; L78-V80 HydrophobicContact CG-CG2 4.21Å; V80-Y193 HydrophobicContact CG2-CD1 3.62Å; V80-Y193 HydrophobicContact CG2-CE1 3.91Å
81	R	90.6	Very high	95.4	Very high	77 Å²	77	33.7 Å²	33.7	29%	0.291	18%	0.179	S	C	.	.			trans	-119.9	115.2	-177.5	-60.7	-170.1	-61.5	158.8	-2.6	109.3	Q79 Q83 S84 D85	Q79-R81 HydrophobicContact CG-CG 4.07Å; R81-Q83 PolarHBondContact O-N 3.25Å; R81-S84 VanDerWaalsContact CZ-CB 3.42Å; R81-S84 PolarHBondContact O-N 2.96Å; R81-D85 PolarHBondContact NE-O 3.05Å; R81-D85 PolarHBondContact NH2-O 2.83Å
82	P	81.3	Confident	95.4	Very high	115 Å²	115	32.7 Å²	32.7	75%	0.747	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.4	-173.5	-29.5	35.6	0	0	0	115.8
83	Q	83	Confident	95.4	Very high	187 Å²	187	29.1 Å²	29.1	87%	0.874	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.5	17	-174.1	-61.2	175.7	5.2	0	0	112.8	R81	R81-Q83 PolarHBondContact O-N 3.25Å
84	S	86.8	Confident	95.4	Very high	67 Å²	67	32.9 Å²	32.9	47%	0.469	18%	0.18	S	C	.	.	S	Bend	trans	-157.1	164	-176.4	-63.5	0	0	0	0	111.1	R81 S86	R81-S84 VanDerWaalsContact CZ-CB 3.42Å; R81-S84 PolarHBondContact O-N 2.96Å; S84-S86 PolarHBondContact O-N 2.85Å
85	D	89.6	Confident	95.3	Very high	56 Å²	56	34.2 Å²	34.2	30%	0.299	19%	0.187	S	C	.	.			trans	-54.3	135	174.3	-79.2	-16.3	0	0	0	110.9	R81 R102	R81-D85 PolarHBondContact NE-O 3.05Å; R81-D85 PolarHBondContact NH2-O 2.83Å; D85-R102 IonicContact OD1-CZ 3.72Å; D85-R102 IonicContact OD1-NE 2.62Å; D85-R102 IonicContact OD1-NH2 3.6Å; D85-R102 PolarHBondContact OD1-NH2 3.4Å; D85-R102 IonicContact OD2-NE 3.11Å
86	S	96.3	Very high	95.2	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	21%	0.21	C	C	.	.			trans	-58.6	149.3	170.8	-59.5	0	0	0	0	111	Q79 S84 L101 Y193	Q79-S86 CarbonylContact O-C 3.52Å; Q79-S86 VanDerWaalsContact O-CA 3.25Å; Q79-S86 WeakPolarHBondContact O-CA 3.37Å; Q79-S86 WeakPolarHBondContact O-CB 3.43Å; S84-S86 PolarHBondContact O-N 2.85Å; S86-L101 WeakPolarHBondContact O-CB 3.24Å; S86-L101 PolarHBondContact O-N 2.85Å; S86-Y193 WeakPolarHBondContact CB-O 3.11Å; S86-Y193 PolarHBondContact OG-O 3.17Å
87	L	97.6	Very high	95.2	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.5	-178.9	-62.9	179	0	0	0	111	L78 Q79 Y89 P98 C99	L78-L87 CarbonylContact C-O 3.22Å; L78-L87 WeakPolarHBondContact CA-O 3.35Å; Q79-L87 HydrophobicContact CB-CB 4.35Å; Q79-L87 PolarHBondContact N-O 3.01Å; Q79-L87 PolarHBondContact O-N 3.29Å; L87-Y89 HydrophobicContact CB-CE2 3.95Å; L87-P98 HydrophobicContact CB-CB 4.13Å; L87-P98 HydrophobicContact CD1-CB 4.37Å; L87-P98 HydrophobicContact CD1-CG 4.09Å; L87-C99 CarbonylContact C-O 3.5Å; L87-C99 WeakPolarHBondContact CA-O 3.47Å
88	V	98.6	Very high	95.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.4	175.7	174.9	0	0	0	0	109.4	I76 L77 L78 D90 P98 C99 L101 Y104	I76-V88 HydrophobicContact CB-CG1 4.18Å; I76-V88 HydrophobicContact CD1-CG1 3.76Å; I76-V88 HydrophobicContact CD1-CG2 4.43Å; I76-V88 HydrophobicContact CG1-CG1 4.43Å; L77-V88 CarbonylContact O-C 3.18Å; L77-V88 WeakPolarHBondContact O-CA 3.44Å; L78-V88 HydrophobicContact CD1-CG2 4.17Å; V88-D90 HydrophobicContact CG1-CB 4.31Å; V88-P98 WeakPolarHBondContact O-CA 3.22Å; V88-C99 PolarHBondContact N-O 2.86Å; V88-C99 PolarHBondContact O-N 2.9Å; V88-L101 HydrophobicContact CG2-CB 4.08Å; V88-L101 HydrophobicContact CG2-CD1 3.59Å; V88-L101 HydrophobicContact CG2-CG 4.43Å; V88-Y104 HydrophobicContact CB-CD2 4.24Å; V88-Y104 HydrophobicContact CB-CG 4.16Å; V88-Y104 HydrophobicContact CG1-CD1 4.22Å; V88-Y104 HydrophobicContact CG1-CD2 3.76Å; V88-Y104 HydrophobicContact CG1-CE1 4.31Å; V88-Y104 HydrophobicContact CG1-CE2 3.87Å; V88-Y104 HydrophobicContact CG1-CG 3.94Å; V88-Y104 HydrophobicContact CG2-CD1 4.38Å; V88-Y104 HydrophobicContact CG2-CG 4.19Å
89	Y	98.8	Very high	95	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	96.1	173.3	-56	-104.3	0	0	0	107.4	I7 T8 L77 Q79 L87 F97 P98	I7-Y89 HydrophobicContact CD1-CE1 4.4Å; I7-Y89 HydrophobicContact CD1-CE2 3.94Å; I7-Y89 HydrophobicContact CG1-CE1 3.99Å; I7-Y89 HydrophobicContact CG1-CE2 4.39Å; I7-Y89 WeakPolarHBondContact CG1-OH 3.35Å; T8-Y89 WeakPolarHBondContact OG1-CE1 3.33Å; L77-Y89 HydrophobicContact CB-CD2 4.48Å; L77-Y89 HydrophobicContact CD2-CD2 4.13Å; L77-Y89 HydrophobicContact CD2-CG 4.31Å; L77-Y89 HydrophobicContact CG-CD2 4.19Å; L77-Y89 PolarHBondContact N-O 2.85Å; L77-Y89 VanDerWaalsContact N-O 3.14Å; L77-Y89 PolarHBondContact O-N 2.93Å; Q79-Y89 HydrophobicContact CB-CE2 3.85Å; Q79-Y89 PolarHBondContact OE1-OH 2.83Å; L87-Y89 HydrophobicContact CB-CE2 3.95Å; Y89-F97 HydrophobicContact CD1-CE1 4.18Å; Y89-F97 HydrophobicContact CD1-CE2 4.16Å; Y89-F97 AromaticContact CD1-CZ 3.88Å; Y89-F97 HydrophobicContact CD1-CZ 3.88Å; Y89-F97 HydrophobicContact CG-CE2 4.43Å; Y89-F97 HydrophobicContact CG-CZ 4.49Å; Y89-P98 HydrophobicContact CD1-CB 3.86Å; Y89-P98 HydrophobicContact CD2-CB 4.45Å; Y89-P98 HydrophobicContact CE1-CB 3.57Å; Y89-P98 HydrophobicContact CE1-CG 3.85Å; Y89-P98 HydrophobicContact CE2-CB 4.18Å; Y89-P98 HydrophobicContact CG-CB 4.28Å
90	D	98.8	Very high	95	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.027	23%	0.23	C	C	.	.			trans	-112.8	111.4	173.7	178.9	6.9	0	0	0	108.7	R11 Q60 H74 I76 V88 D92 S93 Y104	R11-D90 PolarHBondContact NH1-O 2.77Å; R11-D90 PolarHBondContact NH2-O 3.48Å; Q60-D90 PolarHBondContact NE2-OD2 2.62Å; H74-D90 IonicContact CE1-OD1 2.78Å; H74-D90 IonicContact NE2-OD1 2.86Å; H74-D90 PolarHBondContact NE2-OD1 3.1Å; H74-D90 IonicContact NE2-OD2 2.95Å; H74-D90 PolarHBondContact NE2-OD2 2.93Å; I76-D90 HydrophobicContact CG2-CB 3.74Å; V88-D90 HydrophobicContact CG1-CB 4.31Å; D90-D92 PolarHBondContact O-N 3.49Å; D90-D92 PolarHBondContact OD1-N 2.93Å; D90-S93 PolarHBondContact O-N 2.95Å; D90-S93 PolarHBondContact OD1-N 2.79Å; D90-S93 WeakPolarHBondContact OD2-CB 3.47Å; D90-S93 PolarHBondContact OD2-N 3.22Å; D90-Y104 HydrophobicContact CB-CE2 3.85Å; D90-Y104 PolarHBondContact OD2-OH 2.98Å
91	L	98.7	Very high	95.1	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.1	179.6	-76.7	167.5	0	0	0	112.6	R11 C14 Y16 N24 L28 K61 F97	R11-L91 HydrophobicContact CG-CD2 4.11Å; R11-L91 VanDerWaalsContact NH1-C 3.26Å; R11-L91 VanDerWaalsContact NH1-CA 3.29Å; R11-L91 PolarHBondContact NH1-O 3.5Å; C14-L91 HydrophobicContact CB-CD1 4.17Å; C14-L91 HydrophobicContact CB-CD2 3.7Å; Y16-L91 HydrophobicContact CD2-CB 3.81Å; Y16-L91 HydrophobicContact CD2-CD1 4.27Å; Y16-L91 HydrophobicContact CE2-CB 4.18Å; N24-L91 HydrophobicContact CB-CD1 3.88Å; L28-L91 HydrophobicContact CD1-CD1 4.2Å; L28-L91 HydrophobicContact CD1-CG 4.5Å; L28-L91 HydrophobicContact CD2-CD1 4.41Å; L28-L91 HydrophobicContact CG-CD1 4.4Å; K61-L91 WeakPolarHBondContact CE-O 3.41Å; K61-L91 PolarHBondContact NZ-O 2.83Å; L91-F97 HydrophobicContact CD2-CD2 4.37Å; L91-F97 HydrophobicContact CD2-CE1 4.47Å; L91-F97 HydrophobicContact CD2-CE2 3.69Å; L91-F97 HydrophobicContact CD2-CZ 3.75Å; L91-F97 HydrophobicContact CG-CE2 3.95Å; L91-F97 HydrophobicContact CG-CZ 4.26Å
92	D	98.6	Very high	95.4	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.032	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-6.4	179.1	-73.7	-70.5	0	0	0	113.5	Y16 Q60 K61 H74 D90	Y16-D92 PolarHBondContact OH-OD1 3.29Å; Q60-D92 CarbonylContact C-O 3.55Å; Q60-D92 WeakPolarHBondContact CA-O 3.46Å; K61-D92 VanDerWaalsContact CG-O 3.32Å; K61-D92 WeakPolarHBondContact CG-O 3.48Å; K61-D92 PolarHBondContact N-O 3.15Å; H74-D92 IonicContact CE1-OD2 3.88Å; D90-D92 PolarHBondContact O-N 3.49Å; D90-D92 PolarHBondContact OD1-N 2.93Å
93	S	98.1	Very high	96.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-76	147.7	176.7	-166.6	0	0	0	0	113.4	R11 K59 D90 L95	R11-S93 VanDerWaalsContact CZ-O 3.32Å; R11-S93 PolarHBondContact NH1-O 2.64Å; R11-S93 PolarHBondContact NH2-O 2.78Å; K59-S93 CarbonylContact O-C 3.56Å; K59-S93 VanDerWaalsContact O-CA 3.22Å; K59-S93 WeakPolarHBondContact O-CA 3.33Å; K59-S93 PolarHBondContact O-OG 2.76Å; D90-S93 PolarHBondContact O-N 2.95Å; D90-S93 PolarHBondContact OD1-N 2.79Å; D90-S93 WeakPolarHBondContact OD2-CB 3.47Å; D90-S93 PolarHBondContact OD2-N 3.22Å; S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 WeakPolarHBondContact OG-CB 3.21Å; S93-L95 WeakPolarHBondContact OG-CG 3.39Å; S93-L95 PolarHBondContact OG-N 3.03Å
94	V	97.8	Very high	96.9	Very high	88 Å²	88	30 Å²	30	53%	0.533	17%	0.168	S	C	.	.	S	Bend	trans	-85.8	-4.5	164	-53.3	0	0	0	0	113	K59 K61	K59-V94 HydrophobicContact CB-CG2 3.79Å; K59-V94 HydrophobicContact CD-CG2 4.18Å; K59-V94 PolarHBondContact O-N 2.84Å; K61-V94 HydrophobicContact CG-CG1 4.22Å
95	L	97.6	Very high	97.4	Very high	28 Å²	28	27.2 Å²	27.2	15%	0.147	15%	0.15	C	C	.	.	S	Bend	trans	-71.6	173.3	169.7	-59.4	176.9	0	0	0	110.6	R11 K59 S93 C99 Y104 M107 A108	R11-L95 PolarHBondContact NH2-O 3.35Å; K59-L95 HydrophobicContact CB-CD1 4.35Å; K59-L95 HydrophobicContact CB-CD2 4.24Å; K59-L95 HydrophobicContact CB-CG 3.93Å; K59-L95 HydrophobicContact CG-CD2 4.11Å; K59-L95 HydrophobicContact CG-CG 4.3Å; S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 WeakPolarHBondContact OG-CB 3.21Å; S93-L95 WeakPolarHBondContact OG-CG 3.39Å; S93-L95 PolarHBondContact OG-N 3.03Å; L95-C99 HydrophobicContact CB-CB 4.42Å; L95-Y104 HydrophobicContact CD1-CD2 3.97Å; L95-M107 HydrophobicContact CD1-CB 4.1Å; L95-M107 HydrophobicContact CD2-CB 4.27Å; L95-A108 HydrophobicContact CD1-CB 4.05Å
96	S	97.4	Very high	97.8	Very high	71 Å²	71	27.6 Å²	27.6	50%	0.497	16%	0.161	S	C	.	.			trans	-58.2	154.8	177.1	63.7	0	0	0	0	112.1	P98 C99	S96-P98 VanDerWaalsContact C-C 3.49Å; S96-P98 CarbonylContact C-O 3.55Å; S96-P98 VanDerWaalsContact C-O 3.22Å; S96-P98 WeakPolarHBondContact CB-O 3.36Å; S96-P98 CarbonylContact O-C 3.51Å; S96-P98 PolarHBondContact OG-O 3.26Å; S96-C99 WeakPolarHBondContact O-CB 3.32Å; S96-C99 PolarHBondContact O-N 2.76Å; S96-C99 WeakPolarHBondContact OG-CA 3.4Å
97	F	97.9	Very high	97.9	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.083	18%	0.176	C	C	.	.	S	Bend	trans	-123.7	109.6	174.5	-171.3	-96.5	0	0	0	110.4	R11 L28 Y89 L91	R11-F97 HydrophobicContact CB-CB 4.02Å; R11-F97 HydrophobicContact CB-CD1 3.84Å; R11-F97 HydrophobicContact CB-CE1 4.49Å; R11-F97 HydrophobicContact CB-CG 3.97Å; R11-F97 HydrophobicContact CG-CB 4.43Å; R11-F97 HydrophobicContact CG-CG 4.33Å; L28-F97 HydrophobicContact CD1-CZ 4.33Å; L28-F97 HydrophobicContact CD2-CZ 4.43Å; Y89-F97 HydrophobicContact CD1-CE1 4.18Å; Y89-F97 HydrophobicContact CD1-CE2 4.16Å; Y89-F97 AromaticContact CD1-CZ 3.88Å; Y89-F97 HydrophobicContact CD1-CZ 3.88Å; Y89-F97 HydrophobicContact CG-CE2 4.43Å; Y89-F97 HydrophobicContact CG-CZ 4.49Å; L91-F97 HydrophobicContact CD2-CD2 4.37Å; L91-F97 HydrophobicContact CD2-CE1 4.47Å; L91-F97 HydrophobicContact CD2-CE2 3.69Å; L91-F97 HydrophobicContact CD2-CZ 3.75Å; L91-F97 HydrophobicContact CG-CE2 3.95Å; L91-F97 HydrophobicContact CG-CZ 4.26Å
98	P	97.7	Very high	97.9	Very high	23 Å²	23	30 Å²	30	15%	0.149	17%	0.172	C	C	.	.	S	Bend	cis	-67.8	167.2	-7.7	26.7	-32.7	0	0	0	114	L87 V88 Y89 S96	L87-P98 HydrophobicContact CB-CB 4.13Å; L87-P98 HydrophobicContact CD1-CB 4.37Å; L87-P98 HydrophobicContact CD1-CG 4.09Å; V88-P98 WeakPolarHBondContact O-CA 3.22Å; Y89-P98 HydrophobicContact CD1-CB 3.86Å; Y89-P98 HydrophobicContact CD2-CB 4.45Å; Y89-P98 HydrophobicContact CE1-CB 3.57Å; Y89-P98 HydrophobicContact CE1-CG 3.85Å; Y89-P98 HydrophobicContact CE2-CB 4.18Å; Y89-P98 HydrophobicContact CG-CB 4.28Å; S96-P98 VanDerWaalsContact C-C 3.49Å; S96-P98 CarbonylContact C-O 3.55Å; S96-P98 VanDerWaalsContact C-O 3.22Å; S96-P98 WeakPolarHBondContact CB-O 3.36Å; S96-P98 CarbonylContact O-C 3.51Å; S96-P98 PolarHBondContact OG-O 3.26Å
99	C	97	Very high	97.9	Very high	2 Å²	2	30 Å²	30	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.4	171	-167.7	0	0	0	0	109.8	L87 V88 L95 S96 Y104	L87-C99 CarbonylContact C-O 3.5Å; L87-C99 WeakPolarHBondContact CA-O 3.47Å; V88-C99 PolarHBondContact N-O 2.86Å; V88-C99 PolarHBondContact O-N 2.9Å; L95-C99 HydrophobicContact CB-CB 4.42Å; S96-C99 WeakPolarHBondContact O-CB 3.32Å; S96-C99 PolarHBondContact O-N 2.76Å; S96-C99 WeakPolarHBondContact OG-CA 3.4Å; C99-Y104 HydrophobicContact CB-CD2 4.37Å
100	S	97	Very high	97.8	Very high	34 Å²	34	33.3 Å²	33.3	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	142	168.8	69.8	0	0	0	0	109.8	R102 L103 Y104	S100-R102 PolarHBondContact O-N 3.45Å; S100-L103 PolarHBondContact O-N 2.87Å; S100-L103 VanDerWaalsContact O-N 3.08Å; S100-L103 VanDerWaalsContact OG-CB 3.29Å; S100-L103 WeakPolarHBondContact OG-CB 3.15Å; S100-L103 PolarHBondContact OG-N 3.38Å; S100-Y104 WeakPolarHBondContact O-CB 3.47Å; S100-Y104 PolarHBondContact O-N 2.96Å
101	L	97.6	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-32.5	178.3	178.4	61.7	0	0	0	111.4	L78 S86 V88 Y104 G105 F109 F189 L190 Y193 T194	L78-L101 HydrophobicContact CD1-CD1 4.46Å; L78-L101 HydrophobicContact CD1-CD2 4.09Å; S86-L101 WeakPolarHBondContact O-CB 3.24Å; S86-L101 PolarHBondContact O-N 2.85Å; V88-L101 HydrophobicContact CG2-CB 4.08Å; V88-L101 HydrophobicContact CG2-CD1 3.59Å; V88-L101 HydrophobicContact CG2-CG 4.43Å; L101-Y104 PolarHBondContact O-N 2.91Å; L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.33Å; L101-F109 HydrophobicContact CD1-CE2 4.41Å; L101-F189 HydrophobicContact CD1-CE1 3.77Å; L101-F189 HydrophobicContact CD1-CZ 4.19Å; L101-F189 HydrophobicContact CD2-CE1 4.35Å; L101-F189 HydrophobicContact CD2-CZ 4.48Å; L101-L190 HydrophobicContact CD1-CD2 4.27Å; L101-L190 HydrophobicContact CG-CD2 4.45Å; L101-Y193 VanDerWaalsContact CD2-C 3.49Å; L101-Y193 WeakPolarHBondContact CD2-O 3.37Å; L101-T194 HydrophobicContact CB-CG2 4.44Å; L101-T194 HydrophobicContact CD2-CG2 3.73Å; L101-T194 HydrophobicContact CG-CG2 3.73Å
102	R	96.6	Very high	97.6	Very high	121 Å²	121	35.9 Å²	35.9	46%	0.457	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-47.8	174.2	-169	-177.2	-55.2	-81.7	-8.3	111.8	D85 S100 A106	D85-R102 IonicContact OD1-CZ 3.72Å; D85-R102 IonicContact OD1-NE 2.62Å; D85-R102 IonicContact OD1-NH2 3.6Å; D85-R102 PolarHBondContact OD1-NH2 3.4Å; D85-R102 IonicContact OD2-NE 3.11Å; S100-R102 PolarHBondContact O-N 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.32Å; R102-A106 PolarHBondContact O-N 3.44Å
103	L	97.6	Very high	97.5	Very high	76 Å²	76	45.1 Å²	45.1	40%	0.398	24%	0.236	S	C	.	.	H	α-helix	trans	-69.5	-43	178.4	-178.8	63.2	0	0	0	111.4	S100 G105 A106 M107	S100-L103 PolarHBondContact O-N 2.87Å; S100-L103 VanDerWaalsContact O-N 3.08Å; S100-L103 VanDerWaalsContact OG-CB 3.29Å; S100-L103 WeakPolarHBondContact OG-CB 3.15Å; S100-L103 PolarHBondContact OG-N 3.38Å; L103-G105 VanDerWaalsContact C-N 3.33Å; L103-G105 PolarHBondContact O-N 2.89Å; L103-A106 PolarHBondContact O-N 2.75Å; L103-M107 HydrophobicContact CD1-CG 3.68Å; L103-M107 HydrophobicContact CG-CG 4.36Å; L103-M107 WeakPolarHBondContact O-CB 3.37Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.15Å
104	Y	98.5	Very high	97.1	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-43.3	176.9	-165.5	-87.2	0	0	0	111.4	L57 I76 V88 D90 L95 C99 S100 L101 A106 M107 A108 F109	L57-Y104 HydrophobicContact CD1-CE1 4.44Å; I76-Y104 HydrophobicContact CD1-CE1 4.2Å; V88-Y104 HydrophobicContact CB-CD2 4.24Å; V88-Y104 HydrophobicContact CB-CG 4.16Å; V88-Y104 HydrophobicContact CG1-CD1 4.22Å; V88-Y104 HydrophobicContact CG1-CD2 3.76Å; V88-Y104 HydrophobicContact CG1-CE1 4.31Å; V88-Y104 HydrophobicContact CG1-CE2 3.87Å; V88-Y104 HydrophobicContact CG1-CG 3.94Å; V88-Y104 HydrophobicContact CG2-CD1 4.38Å; V88-Y104 HydrophobicContact CG2-CG 4.19Å; D90-Y104 HydrophobicContact CB-CE2 3.85Å; D90-Y104 PolarHBondContact OD2-OH 2.98Å; L95-Y104 HydrophobicContact CD1-CD2 3.97Å; C99-Y104 HydrophobicContact CB-CD2 4.37Å; S100-Y104 WeakPolarHBondContact O-CB 3.47Å; S100-Y104 PolarHBondContact O-N 2.96Å; L101-Y104 PolarHBondContact O-N 2.91Å; Y104-A106 PolarHBondContact O-N 2.86Å; Y104-M107 PolarHBondContact O-N 2.99Å; Y104-A108 HydrophobicContact CD1-CB 4.04Å; Y104-A108 HydrophobicContact CD2-CB 3.94Å; Y104-A108 HydrophobicContact CE1-CB 3.87Å; Y104-A108 HydrophobicContact CE2-CB 3.77Å; Y104-A108 HydrophobicContact CG-CB 4.07Å; Y104-A108 WeakPolarHBondContact O-CA 3.44Å; Y104-A108 WeakPolarHBondContact O-CB 3.45Å; Y104-A108 PolarHBondContact O-N 2.83Å; Y104-F109 AromaticContact CD1-CD2 3.74Å; Y104-F109 HydrophobicContact CD1-CD2 3.74Å; Y104-F109 HydrophobicContact CD1-CE1 4.44Å; Y104-F109 AromaticContact CD1-CE2 3.57Å; Y104-F109 HydrophobicContact CD1-CE2 3.57Å; Y104-F109 HydrophobicContact CD1-CG 4.22Å; Y104-F109 AromaticContact CD1-CZ 3.96Å; Y104-F109 HydrophobicContact CD1-CZ 3.96Å; Y104-F109 HydrophobicContact CE1-CD1 4.06Å; Y104-F109 HydrophobicContact CE1-CD2 4Å; Y104-F109 AromaticContact CE1-CE1 3.74Å; Y104-F109 HydrophobicContact CE1-CE1 3.74Å; Y104-F109 AromaticContact CE1-CE2 3.66Å; Y104-F109 HydrophobicContact CE1-CE2 3.66Å; Y104-F109 HydrophobicContact CE1-CG 4.18Å; Y104-F109 AromaticContact CE1-CZ 3.53Å; Y104-F109 HydrophobicContact CE1-CZ 3.53Å; Y104-F109 PolarHBondContact O-N 2.96Å
105	G	98	Very high	97	Very high	7 Å²	7	50.9 Å²	50.9	7%	0.072	26%	0.257	C	S	.	.	I	π-helix	trans	-56.4	-46.9	172.8	0	0	0	0	0	113	L101 L103 R110	L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.33Å; L103-G105 VanDerWaalsContact C-N 3.33Å; L103-G105 PolarHBondContact O-N 2.89Å; G105-R110 PolarHBondContact O-N 3.16Å
106	A	97.4	Very high	97	Very high	65 Å²	65	57.9 Å²	57.9	54%	0.537	28%	0.282	S	S	.	.	I	π-helix	trans	-70.4	-38.9	179.9	0	0	0	0	0	113.4	R102 L103 Y104	R102-A106 WeakPolarHBondContact O-CB 3.32Å; R102-A106 PolarHBondContact O-N 3.44Å; L103-A106 PolarHBondContact O-N 2.75Å; Y104-A106 PolarHBondContact O-N 2.86Å
107	M	97.8	Very high	97	Very high	72 Å²	72	59.3 Å²	59.3	36%	0.355	29%	0.289	S	S	.	.	I	π-helix	trans	-103.6	-42.4	-166	-62.7	-60.9	-67.9	0	0	114.3	W58 K59 L95 L103 Y104 R110	W58-M107 VanDerWaalsContact CB-O 3.32Å; W58-M107 WeakPolarHBondContact CB-O 3.23Å; K59-M107 HydrophobicContact CG-CB 4.23Å; L95-M107 HydrophobicContact CD1-CB 4.1Å; L95-M107 HydrophobicContact CD2-CB 4.27Å; L103-M107 HydrophobicContact CD1-CG 3.68Å; L103-M107 HydrophobicContact CG-CG 4.36Å; L103-M107 WeakPolarHBondContact O-CB 3.37Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.15Å; Y104-M107 PolarHBondContact O-N 2.99Å; M107-R110 PolarHBondContact O-NE 2.7Å
108	A	98.2	Very high	97	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-94.7	-48	-175.2	0	0	0	0	0	111.4	L57 W58 K59 L95 Y104	L57-A108 HydrophobicContact CD1-CB 4.33Å; W58-A108 PolarHBondContact N-O 2.99Å; W58-A108 WeakPolarHBondContact O-CA 3.39Å; W58-A108 WeakPolarHBondContact O-CB 3.41Å; K59-A108 HydrophobicContact CB-CB 4.48Å; L95-A108 HydrophobicContact CD1-CB 4.05Å; Y104-A108 HydrophobicContact CD1-CB 4.04Å; Y104-A108 HydrophobicContact CD2-CB 3.94Å; Y104-A108 HydrophobicContact CE1-CB 3.87Å; Y104-A108 HydrophobicContact CE2-CB 3.77Å; Y104-A108 HydrophobicContact CG-CB 4.07Å; Y104-A108 WeakPolarHBondContact O-CA 3.44Å; Y104-A108 WeakPolarHBondContact O-CB 3.45Å; Y104-A108 PolarHBondContact O-N 2.83Å
109	F	98.1	Very high	97	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-71.3	-59.5	173.2	-73.5	-37.7	0	0	0	111	I48 L57 I76 L101 Y104 R121 L123 L186 F189 L190	I48-F109 HydrophobicContact CD1-CE1 3.69Å; I48-F109 HydrophobicContact CD1-CZ 3.94Å; I48-F109 HydrophobicContact CG1-CE1 4.24Å; I48-F109 HydrophobicContact CG1-CZ 4.43Å; I48-F109 HydrophobicContact CG2-CE1 4.48Å; L57-F109 HydrophobicContact CD1-CD1 3.61Å; L57-F109 HydrophobicContact CD1-CE1 3.86Å; I76-F109 HydrophobicContact CD1-CZ 3.97Å; L101-F109 HydrophobicContact CD1-CE2 4.41Å; Y104-F109 AromaticContact CD1-CD2 3.74Å; Y104-F109 HydrophobicContact CD1-CD2 3.74Å; Y104-F109 HydrophobicContact CD1-CE1 4.44Å; Y104-F109 AromaticContact CD1-CE2 3.57Å; Y104-F109 HydrophobicContact CD1-CE2 3.57Å; Y104-F109 HydrophobicContact CD1-CG 4.22Å; Y104-F109 AromaticContact CD1-CZ 3.96Å; Y104-F109 HydrophobicContact CD1-CZ 3.96Å; Y104-F109 HydrophobicContact CE1-CD1 4.06Å; Y104-F109 HydrophobicContact CE1-CD2 4Å; Y104-F109 AromaticContact CE1-CE1 3.74Å; Y104-F109 HydrophobicContact CE1-CE1 3.74Å; Y104-F109 AromaticContact CE1-CE2 3.66Å; Y104-F109 HydrophobicContact CE1-CE2 3.66Å; Y104-F109 HydrophobicContact CE1-CG 4.18Å; Y104-F109 AromaticContact CE1-CZ 3.53Å; Y104-F109 HydrophobicContact CE1-CZ 3.53Å; Y104-F109 PolarHBondContact O-N 2.96Å; F109-R121 VanDerWaalsContact CB-NH2 3.34Å; F109-R121 PolarHBondContact O-NH1 2.95Å; F109-R121 VanDerWaalsContact O-NH1 3.11Å; F109-R121 PolarHBondContact O-NH2 3.45Å; F109-L123 HydrophobicContact CE1-CD2 4.31Å; F109-L123 HydrophobicContact CE2-CD2 4.24Å; F109-L123 HydrophobicContact CZ-CD2 3.72Å; F109-L186 HydrophobicContact CB-CD1 3.95Å; F109-L186 HydrophobicContact CD1-CD1 4.21Å; F109-L186 HydrophobicContact CD2-CD1 3.96Å; F109-L186 HydrophobicContact CG-CD1 3.79Å; F109-F189 HydrophobicContact CE2-CD1 4.43Å; F109-F189 AromaticContact CE2-CE1 3.85Å; F109-F189 HydrophobicContact CE2-CE1 3.85Å; F109-F189 HydrophobicContact CZ-CE1 4.45Å; F109-L190 HydrophobicContact CD2-CD2 4.25Å
110	R	97.2	Very high	97.1	Very high	73 Å²	73	67.2 Å²	67.2	28%	0.275	32%	0.322	S	S	.	.			trans	59.4	179.3	-165.1	-49.1	-176.5	176.8	-167.2	-5.4	111.7	W58 D66 G105 M107 R121 L186	W58-R110 HydrophobicContact CD2-CG 4.27Å; W58-R110 HydrophobicContact CE3-CB 4.44Å; W58-R110 HydrophobicContact CE3-CG 4.13Å; D66-R110 IonicContact OD1-CZ 3.62Å; D66-R110 IonicContact OD1-NH2 3.63Å; D66-R110 PolarHBondContact OD1-NH2 3.03Å; D66-R110 IonicContact OD2-CZ 2.97Å; D66-R110 IonicContact OD2-NH1 3.12Å; D66-R110 PolarHBondContact OD2-NH1 3.31Å; D66-R110 IonicContact OD2-NH2 3.75Å; D66-R110 PolarHBondContact OD2-NH2 3.14Å; G105-R110 PolarHBondContact O-N 3.16Å; M107-R110 PolarHBondContact O-NE 2.7Å; R110-R121 PolarHBondContact O-NH2 2.84Å; R110-L186 VanDerWaalsContact O-CD2 3.27Å; R110-L186 WeakPolarHBondContact O-CD2 3.25Å
111	S	96.8	Very high	97.2	Very high	50 Å²	50	65.7 Å²	65.7	35%	0.35	31%	0.311	S	S	.	.			trans	-85.9	142.8	-178.4	-175	0	0	0	0	112.8	R113	S111-R113 VanDerWaalsContact C-N 3.28Å; S111-R113 PolarHBondContact O-N 2.81Å; S111-R113 WeakPolarHBondContact OG-CB 3.48Å; S111-R113 VanDerWaalsContact OG-CG 3.3Å; S111-R113 WeakPolarHBondContact OG-CG 3.29Å; S111-R113 PolarHBondContact OG-N 2.9Å
112	D	97.2	Very high	97.2	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.08	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-76.7	-10.2	171	-79.8	-10.5	0	0	0	113.7	H114 I115 H120 R121 L186	D112-H114 PolarHBondContact O-N 2.81Å; D112-I115 PolarHBondContact O-N 3.36Å; D112-H120 PolarHBondContact O-NE2 2.81Å; D112-H120 WeakPolarHBondContact OD2-CA 3.17Å; D112-H120 IonicContact OD2-CG 2.76Å; D112-R121 IonicContact OD1-CZ 3.37Å; D112-R121 IonicContact OD1-NE 3.44Å; D112-R121 IonicContact OD1-NH1 3.14Å; D112-R121 PolarHBondContact OD1-NH1 3.04Å; D112-R121 IonicContact OD1-NH2 2.7Å; D112-R121 PolarHBondContact OD2-N 3.14Å; D112-L186 HydrophobicContact CB-CD2 4.5Å
113	R	95.1	Very high	97.3	Very high	201 Å²	201	63 Å²	63	76%	0.758	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.8	-175	-73.5	177.4	-178.8	-168.8	-0.3	115	S111	S111-R113 VanDerWaalsContact C-N 3.28Å; S111-R113 PolarHBondContact O-N 2.81Å; S111-R113 WeakPolarHBondContact OG-CB 3.48Å; S111-R113 VanDerWaalsContact OG-CG 3.3Å; S111-R113 WeakPolarHBondContact OG-CG 3.29Å; S111-R113 PolarHBondContact OG-N 2.9Å
114	H	91.6	Very high	97.4	Very high	179 Å²	179	59.6 Å²	59.6	83%	0.829	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-112.8	10.7	-178.4	-58.4	-65.7	0	0	0	113	D112	D112-H114 PolarHBondContact O-N 2.81Å
115	I	95.1	Very high	97.4	Very high	32 Å²	32	59.7 Å²	59.7	16%	0.164	29%	0.285	C	S	.	.	S	Bend	trans	-102.8	144.6	177.5	-62.6	176.2	0	0	0	107.3	P56 W58 D112 Y119 H120	P56-I115 HydrophobicContact CG-CD1 4.02Å; P56-I115 HydrophobicContact CG-CG2 4.38Å; W58-I115 HydrophobicContact CH2-CD1 3.67Å; W58-I115 HydrophobicContact CZ3-CD1 3.97Å; D112-I115 PolarHBondContact O-N 3.36Å; I115-Y119 VanDerWaalsContact CG2-CB 3.45Å; I115-Y119 HydrophobicContact CG2-CG 4.38Å; I115-H120 PolarHBondContact O-NE2 2.69Å
116	R	97.4	Very high	97.4	Very high	175 Å²	175	59.4 Å²	59.4	66%	0.66	28%	0.282	S	S	*	.			trans	-64.6	142.8	177.6	-51.8	-178.6	174.1	-178.3	-2.4	110.4	E118 Y119 H120	R116-E118 VanDerWaalsContact CB-CD 3.41Å; R116-E118 HydrophobicContact CB-CG 4.45Å; R116-E118 WeakPolarHBondContact CB-OE1 3.34Å; R116-E118 WeakPolarHBondContact CB-OE2 3.4Å; R116-E118 WeakPolarHBondContact CD-OE1 3.5Å; R116-E118 IonicContact NH1-OE1 3.82Å; R116-E118 PolarHBondContact O-N 3.37Å; R116-Y119 HydrophobicContact CB-CD2 4.14Å; R116-Y119 PolarHBondContact O-N 2.86Å; R116-H120 PolarHBondContact O-CD2 3.03Å
117	P	97.4	Very high	97.5	Very high	101 Å²	101	58.5 Å²	58.5	66%	0.656	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-53.6	-31.8	-173.6	-29.1	36.6	0	0	0	115.5	Y119 H120	P117-Y119 PolarHBondContact O-N 2.78Å; P117-Y119 VanDerWaalsContact O-N 3.13Å; P117-H120 WeakPolarHBondContact O-CB 3.44Å; P117-H120 PolarHBondContact O-N 3.27Å; P117-H120 VanDerWaalsContact O-N 3.11Å
118	E	97.4	Very high	97.6	Very high	76 Å²	76	55.1 Å²	55.1	36%	0.355	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-64	-15.7	178	66.2	-90.8	-153.1	0	0	114.3	N50 K52 R116	N50-E118 PolarHBondContact ND2-O 2.91Å; K52-E118 HydrophobicContact CG-CB 4.35Å; R116-E118 VanDerWaalsContact CB-CD 3.41Å; R116-E118 HydrophobicContact CB-CG 4.45Å; R116-E118 WeakPolarHBondContact CB-OE1 3.34Å; R116-E118 WeakPolarHBondContact CB-OE2 3.4Å; R116-E118 WeakPolarHBondContact CD-OE1 3.5Å; R116-E118 IonicContact NH1-OE1 3.82Å; R116-E118 PolarHBondContact O-N 3.37Å
119	Y	98.2	Very high	97.6	Very high	66 Å²	66	59.2 Å²	59.2	26%	0.259	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-106.3	-0.7	177.4	-66.5	-78.6	0	0	0	113.5	M54 P56 I70 I115 R116 P117 R121	M54-Y119 HydrophobicContact CB-CD1 4.07Å; M54-Y119 HydrophobicContact CB-CE1 4.08Å; M54-Y119 HydrophobicContact CE-CD1 4.49Å; M54-Y119 HydrophobicContact CE-CE1 3.47Å; M54-Y119 VanDerWaalsContact CE-CE1 3.47Å; M54-Y119 WeakPolarHBondContact CE-OH 3.45Å; M54-Y119 WeakPolarHBondContact O-CA 3.4Å; M54-Y119 WeakPolarHBondContact O-CD1 3.37Å; P56-Y119 WeakPolarHBondContact CD-O 3.4Å; I70-Y119 HydrophobicContact CG2-CE1 4.49Å; I115-Y119 VanDerWaalsContact CG2-CB 3.45Å; I115-Y119 HydrophobicContact CG2-CG 4.38Å; R116-Y119 HydrophobicContact CB-CD2 4.14Å; R116-Y119 PolarHBondContact O-N 2.86Å; P117-Y119 PolarHBondContact O-N 2.78Å; P117-Y119 VanDerWaalsContact O-N 3.13Å; Y119-R121 PolarHBondContact O-N 2.72Å
120	H	98.6	Very high	97.6	Very high	67 Å²	67	60.3 Å²	60.3	31%	0.31	28%	0.284	S	S	.	.			trans	-61	136.3	-179.5	-72.7	-174.2	0	0	0	110.1	N50 D112 I115 R116 P117	N50-H120 WeakPolarHBondContact CB-O 3.31Å; N50-H120 PolarHBondContact ND2-O 2.78Å; N50-H120 VanDerWaalsContact ND2-O 3.1Å; D112-H120 PolarHBondContact O-NE2 2.81Å; D112-H120 WeakPolarHBondContact OD2-CA 3.17Å; D112-H120 IonicContact OD2-CG 2.76Å; I115-H120 PolarHBondContact O-NE2 2.69Å; R116-H120 PolarHBondContact O-CD2 3.03Å; P117-H120 WeakPolarHBondContact O-CB 3.44Å; P117-H120 PolarHBondContact O-N 3.27Å; P117-H120 VanDerWaalsContact O-N 3.11Å
121	R	98.6	Very high	97.7	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.011	27%	0.271	C	S	.	.			trans	-89.5	135.9	-175.3	-66.6	101.5	61.5	-165.2	-14.6	110.6	I48 I55 F109 R110 D112 Y119 L186	I48-R121 HydrophobicContact CG2-CB 4.08Å; I48-R121 HydrophobicContact CG2-CG 4.1Å; I55-R121 HydrophobicContact CB-CG 3.61Å; I55-R121 HydrophobicContact CG2-CB 4.38Å; I55-R121 HydrophobicContact CG2-CG 3.67Å; F109-R121 VanDerWaalsContact CB-NH2 3.34Å; F109-R121 PolarHBondContact O-NH1 2.95Å; F109-R121 VanDerWaalsContact O-NH1 3.11Å; F109-R121 PolarHBondContact O-NH2 3.45Å; R110-R121 PolarHBondContact O-NH2 2.84Å; D112-R121 IonicContact OD1-CZ 3.37Å; D112-R121 IonicContact OD1-NE 3.44Å; D112-R121 IonicContact OD1-NH1 3.14Å; D112-R121 PolarHBondContact OD1-NH1 3.04Å; D112-R121 IonicContact OD1-NH2 2.7Å; D112-R121 PolarHBondContact OD2-N 3.14Å; Y119-R121 PolarHBondContact O-N 2.72Å; R121-L186 PolarHBondContact O-N 3.26Å
122	K	98.8	Very high	97.7	Very high	65 Å²	65	55.6 Å²	55.6	28%	0.283	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150	164.1	-62.5	176.2	-172.8	171.3	0	108.3	I48 S49 D51 M174 V183 Y184	I48-K122 WeakPolarHBondContact CA-O 3.33Å; S49-K122 PolarHBondContact N-O 2.8Å; S49-K122 VanDerWaalsContact N-O 3.13Å; S49-K122 PolarHBondContact O-N 2.97Å; S49-K122 VanDerWaalsContact O-O 3.08Å; D51-K122 IonicContact OD1-NZ 3.38Å; D51-K122 PolarHBondContact OD1-NZ 2.95Å; D51-K122 IonicContact OD2-NZ 3.6Å; D51-K122 PolarHBondContact OD2-NZ 2.95Å; K122-M174 HydrophobicContact CB-CB 3.86Å; K122-M174 HydrophobicContact CB-CG 3.71Å; K122-M174 HydrophobicContact CB-SD 3.63Å; K122-M174 HydrophobicContact CD-CB 3.56Å; K122-M174 HydrophobicContact CD-CG 4.25Å; K122-M174 HydrophobicContact CG-CB 4.37Å; K122-V183 HydrophobicContact CB-CG1 4.2Å; K122-Y184 CarbonylContact C-O 3.6Å; K122-Y184 WeakPolarHBondContact CA-O 3.45Å
123	L	98.8	Very high	97.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.6	-177.2	-62.1	92.4	0	0	0	109.1	V46 F47 I48 F109 V183 Y184 L186 F189	V46-L123 HydrophobicContact CG1-CB 3.92Å; V46-L123 HydrophobicContact CG1-CD2 3.71Å; V46-L123 HydrophobicContact CG1-CG 4.3Å; F47-L123 CarbonylContact O-C 3.53Å; F47-L123 VanDerWaalsContact O-CA 3.31Å; F47-L123 WeakPolarHBondContact O-CA 3.16Å; I48-L123 HydrophobicContact CG1-CD2 4.08Å; I48-L123 HydrophobicContact CG1-CG 4.26Å; I48-L123 HydrophobicContact CG2-CG 4.49Å; F109-L123 HydrophobicContact CE1-CD2 4.31Å; F109-L123 HydrophobicContact CE2-CD2 4.24Å; F109-L123 HydrophobicContact CZ-CD2 3.72Å; L123-V183 CarbonylContact O-C 3.59Å; L123-V183 WeakPolarHBondContact O-CA 3.35Å; L123-Y184 PolarHBondContact N-O 3.32Å; L123-Y184 PolarHBondContact O-N 3.36Å; L123-L186 HydrophobicContact CD1-CB 4.17Å; L123-L186 HydrophobicContact CD1-CD1 4.05Å; L123-F189 HydrophobicContact CB-CB 4.48Å; L123-F189 HydrophobicContact CB-CD2 4.27Å; L123-F189 HydrophobicContact CB-CG 4.34Å; L123-F189 HydrophobicContact CD1-CB 4.09Å; L123-F189 HydrophobicContact CD1-CD1 4.47Å; L123-F189 HydrophobicContact CD1-CG 4.31Å; L123-F189 HydrophobicContact CD2-CB 4.37Å; L123-F189 HydrophobicContact CD2-CD1 3.54Å; L123-F189 HydrophobicContact CD2-CD2 4.01Å; L123-F189 HydrophobicContact CD2-CE1 3.68Å; L123-F189 HydrophobicContact CD2-CE2 4.15Å; L123-F189 HydrophobicContact CD2-CG 3.7Å; L123-F189 HydrophobicContact CD2-CZ 4Å; L123-F189 HydrophobicContact CG-CG 4.35Å
124	R	98.9	Very high	98	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.011	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.8	167.7	-179.1	-175.9	-73.2	-82.6	1	108.4	V46 F47 I126 F171 S173 M174 S175 D178 W180 T182 V183	V46-R124 CarbonylContact C-O 3.54Å; V46-R124 VanDerWaalsContact CA-O 3.29Å; V46-R124 WeakPolarHBondContact CA-O 3.14Å; F47-R124 HydrophobicContact CB-CB 4.28Å; F47-R124 PolarHBondContact N-O 3.14Å; F47-R124 PolarHBondContact O-N 2.84Å; R124-I126 HydrophobicContact CB-CD1 4.33Å; R124-I126 HydrophobicContact CG-CD1 3.65Å; R124-I126 HydrophobicContact CG-CG1 3.96Å; R124-F171 WeakPolarHBondContact CD-O 3.42Å; R124-F171 PolarHBondContact NE-O 2.98Å; R124-S173 VanDerWaalsContact CZ-O 3.26Å; R124-S173 PolarHBondContact NE-O 2.78Å; R124-S173 PolarHBondContact NH2-O 2.95Å; R124-M174 HydrophobicContact CB-CE 3.81Å; R124-M174 HydrophobicContact CB-SD 4.11Å; R124-S175 PolarHBondContact NH2-O 2.87Å; R124-D178 PolarHBondContact NH1-O 2.75Å; R124-D178 PolarHBondContact NH2-O 2.62Å; R124-W180 WeakPolarHBondContact CD-O 3.4Å; R124-W180 PolarHBondContact NH1-O 3.06Å; R124-T182 CarbonylContact C-O 3.58Å; R124-T182 WeakPolarHBondContact CA-O 3.4Å; R124-V183 HydrophobicContact CB-CG2 4.18Å; R124-V183 HydrophobicContact CG-CG2 4.28Å
125	V	98.8	Very high	98.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.5	-179.1	-174.6	0	0	0	0	108.7	F44 V46 G181 T182 Y184 F189 Y193	F44-V125 HydrophobicContact CB-CG1 3.66Å; F44-V125 HydrophobicContact CD1-CG1 3.79Å; F44-V125 HydrophobicContact CG-CG1 3.95Å; V46-V125 HydrophobicContact CG1-CG2 4.24Å; V46-V125 HydrophobicContact CG2-CG1 4.34Å; V46-V125 HydrophobicContact CG2-CG2 4.26Å; V125-G181 CarbonylContact O-C 3.6Å; V125-G181 WeakPolarHBondContact O-CA 3.21Å; V125-T182 PolarHBondContact N-O 3.01Å; V125-T182 PolarHBondContact O-N 2.84Å; V125-Y184 HydrophobicContact CB-CD2 4.35Å; V125-Y184 HydrophobicContact CB-CE2 4.06Å; V125-Y184 HydrophobicContact CG2-CD2 3.75Å; V125-Y184 HydrophobicContact CG2-CE2 3.88Å; V125-F189 HydrophobicContact CG2-CD2 3.71Å; V125-F189 HydrophobicContact CG2-CE2 3.75Å; V125-Y193 HydrophobicContact CG1-CE2 4.33Å; V125-Y193 HydrophobicContact CG2-CE2 4.11Å
126	I	98.9	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.8	-175.9	-50.2	94.8	0	0	0	109.2	F44 V45 F47 R124 A128 F131 F171 W180	F44-I126 CarbonylContact C-O 3.55Å; F44-I126 WeakPolarHBondContact CA-O 3.38Å; V45-I126 PolarHBondContact N-O 3.49Å; V45-I126 WeakPolarHBondContact O-CD1 3.39Å; V45-I126 PolarHBondContact O-N 2.99Å; F47-I126 HydrophobicContact CD2-CD1 3.68Å; F47-I126 HydrophobicContact CE2-CD1 4.28Å; R124-I126 HydrophobicContact CB-CD1 4.33Å; R124-I126 HydrophobicContact CG-CD1 3.65Å; R124-I126 HydrophobicContact CG-CG1 3.96Å; I126-A128 PolarHBondContact O-N 3.22Å; I126-F131 HydrophobicContact CG2-CB 4.29Å; I126-F171 HydrophobicContact CD1-CD1 4.24Å; I126-F171 HydrophobicContact CG1-CD1 4.3Å; I126-W180 HydrophobicContact CG2-CB 3.98Å
127	P	98.8	Very high	98.5	Very high	47 Å²	47	34.6 Å²	34.6	31%	0.305	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	137.5	168.6	-27.1	37	0	0	0	112	F44 D129 S130 F131	F44-P127 HydrophobicContact CD1-CG 4.44Å; F44-P127 HydrophobicContact CE1-CG 4.28Å; P127-D129 VanDerWaalsContact C-N 3.29Å; P127-D129 WeakPolarHBondContact CB-OD1 3.45Å; P127-D129 PolarHBondContact O-N 2.76Å; P127-S130 WeakPolarHBondContact O-CB 3.45Å; P127-S130 PolarHBondContact O-N 2.87Å; P127-S130 VanDerWaalsContact O-N 3.15Å; P127-F131 PolarHBondContact O-N 3.24Å
128	A	98.8	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-33.8	-173.5	0	0	0	0	0	113.4	L40 L43 I126 F131 L132	L40-A128 HydrophobicContact CD2-CB 4.38Å; L43-A128 HydrophobicContact CB-CB 3.6Å; L43-A128 WeakPolarHBondContact O-CB 3.29Å; L43-A128 PolarHBondContact O-N 3.08Å; I126-A128 PolarHBondContact O-N 3.22Å; A128-F131 PolarHBondContact O-N 2.92Å; A128-L132 WeakPolarHBondContact O-CB 3.2Å; A128-L132 VanDerWaalsContact O-CG 3.32Å; A128-L132 WeakPolarHBondContact O-CG 3.46Å; A128-L132 PolarHBondContact O-N 2.98Å
129	D	98.3	Very high	98.6	Very high	87 Å²	87	29.2 Å²	29.2	47%	0.465	15%	0.149	S	C	.	.	H	α-helix	trans	-63.7	-44.5	173.5	63	-28.9	0	0	0	111.9	P127 F131 L132 L133	P127-D129 VanDerWaalsContact C-N 3.29Å; P127-D129 WeakPolarHBondContact CB-OD1 3.45Å; P127-D129 PolarHBondContact O-N 2.76Å; D129-F131 VanDerWaalsContact C-N 3.34Å; D129-F131 PolarHBondContact O-N 2.97Å; D129-L132 PolarHBondContact O-N 2.96Å; D129-L133 WeakPolarHBondContact O-CB 3.31Å; D129-L133 PolarHBondContact O-N 2.7Å
130	S	98.5	Very high	98.6	Very high	23 Å²	23	28.6 Å²	28.6	16%	0.161	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-41	173.9	179.3	0	0	0	0	111.2	P127 L133 N134	P127-S130 WeakPolarHBondContact O-CB 3.45Å; P127-S130 PolarHBondContact O-N 2.87Å; P127-S130 VanDerWaalsContact O-N 3.15Å; S130-L133 PolarHBondContact O-N 2.82Å; S130-N134 WeakPolarHBondContact O-CB 3.44Å; S130-N134 PolarHBondContact O-N 3.38Å; S130-N134 PolarHBondContact O-ND2 3.36Å
131	F	98.8	Very high	98.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-47.1	176.1	-173.3	-116.1	0	0	0	112.4	W26 V45 F47 I126 P127 A128 D129 L133 N134 F135 F171	W26-F131 HydrophobicContact CB-CD1 4.4Å; W26-F131 HydrophobicContact CB-CE1 3.6Å; W26-F131 HydrophobicContact CB-CZ 4.33Å; W26-F131 AromaticContact CD1-CD1 3.84Å; W26-F131 AromaticContact CD1-CE1 3.63Å; W26-F131 HydrophobicContact CG-CD1 4.46Å; W26-F131 HydrophobicContact CG-CE1 4.01Å; V45-F131 HydrophobicContact CB-CB 4.3Å; V45-F131 HydrophobicContact CB-CD1 4.15Å; V45-F131 HydrophobicContact CB-CD2 4.48Å; V45-F131 HydrophobicContact CB-CG 4.07Å; V45-F131 HydrophobicContact CG1-CD1 4.12Å; V45-F131 HydrophobicContact CG1-CD2 4.25Å; V45-F131 HydrophobicContact CG1-CE1 4.06Å; V45-F131 HydrophobicContact CG1-CE2 4.26Å; V45-F131 HydrophobicContact CG1-CG 4.19Å; V45-F131 HydrophobicContact CG1-CZ 4.16Å; V45-F131 HydrophobicContact CG2-CB 3.97Å; V45-F131 HydrophobicContact CG2-CD1 3.52Å; V45-F131 HydrophobicContact CG2-CE1 4.11Å; V45-F131 HydrophobicContact CG2-CG 3.81Å; F47-F131 HydrophobicContact CE2-CD2 4.22Å; F47-F131 AromaticContact CE2-CE2 3.52Å; F47-F131 HydrophobicContact CE2-CE2 3.52Å; F47-F131 HydrophobicContact CE2-CZ 4.02Å; F47-F131 AromaticContact CZ-CE2 3.75Å; F47-F131 HydrophobicContact CZ-CE2 3.75Å; F47-F131 HydrophobicContact CZ-CZ 4.08Å; I126-F131 HydrophobicContact CG2-CB 4.29Å; P127-F131 PolarHBondContact O-N 3.24Å; A128-F131 PolarHBondContact O-N 2.92Å; D129-F131 VanDerWaalsContact C-N 3.34Å; D129-F131 PolarHBondContact O-N 2.97Å; F131-L133 VanDerWaalsContact C-N 3.26Å; F131-L133 PolarHBondContact O-N 3.12Å; F131-N134 PolarHBondContact O-N 2.78Å; F131-F135 HydrophobicContact CD2-CB 3.73Å; F131-F135 HydrophobicContact CD2-CD2 4.27Å; F131-F135 HydrophobicContact CD2-CG 4.15Å; F131-F135 HydrophobicContact CE1-CG 4.41Å; F131-F135 HydrophobicContact CE2-CB 3.52Å; F131-F135 HydrophobicContact CE2-CD1 4.21Å; F131-F135 AromaticContact CE2-CD2 3.33Å; F131-F135 HydrophobicContact CE2-CD2 3.33Å; F131-F135 HydrophobicContact CE2-CE2 4.09Å; F131-F135 AromaticContact CE2-CG 3.4Å; F131-F135 HydrophobicContact CE2-CG 3.4Å; F131-F135 HydrophobicContact CG-CB 4.3Å; F131-F135 HydrophobicContact CZ-CB 3.96Å; F131-F135 AromaticContact CZ-CD1 3.9Å; F131-F135 HydrophobicContact CZ-CD1 3.9Å; F131-F135 AromaticContact CZ-CD2 3.75Å; F131-F135 HydrophobicContact CZ-CD2 3.75Å; F131-F135 HydrophobicContact CZ-CE1 4.37Å; F131-F135 HydrophobicContact CZ-CE2 4.23Å; F131-F135 AromaticContact CZ-CG 3.57Å; F131-F135 HydrophobicContact CZ-CG 3.57Å; F131-F135 WeakPolarHBondContact O-CB 3.44Å; F131-F135 PolarHBondContact O-N 2.85Å; F131-F171 AromaticContact CD2-CD1 3.97Å; F131-F171 HydrophobicContact CD2-CD1 3.97Å; F131-F171 AromaticContact CD2-CE1 3.6Å; F131-F171 HydrophobicContact CD2-CE1 3.6Å; F131-F171 HydrophobicContact CD2-CZ 4.21Å; F131-F171 HydrophobicContact CE2-CD1 4.05Å; F131-F171 HydrophobicContact CE2-CE1 4.04Å
132	L	98.6	Very high	98.5	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.12	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-36.9	177.5	-75.1	174.1	0	0	0	112.5	W26 C29 E30 Q33 L40 A128 D129	W26-L132 HydrophobicContact CD2-CD2 4.03Å; W26-L132 HydrophobicContact CG-CD2 4.3Å; W26-L132 HydrophobicContact CZ2-CD2 4Å; C29-L132 HydrophobicContact CB-CD1 4.03Å; C29-L132 HydrophobicContact CB-CD2 3.77Å; C29-L132 HydrophobicContact CB-CG 3.86Å; E30-L132 HydrophobicContact CB-CD2 4.29Å; Q33-L132 HydrophobicContact CB-CD1 4.12Å; L40-L132 HydrophobicContact CD1-CD1 4.36Å; A128-L132 WeakPolarHBondContact O-CB 3.2Å; A128-L132 VanDerWaalsContact O-CG 3.32Å; A128-L132 WeakPolarHBondContact O-CG 3.46Å; A128-L132 PolarHBondContact O-N 2.98Å; D129-L132 PolarHBondContact O-N 2.96Å
133	L	98.3	Very high	98.4	Very high	123 Å²	123	31.4 Å²	31.4	64%	0.644	16%	0.163	S	C	*	.	H	α-helix	trans	-76.1	-36.3	-178.7	-179.4	62.9	0	0	0	113.3	D129 S130 F131 T161	D129-L133 WeakPolarHBondContact O-CB 3.31Å; D129-L133 PolarHBondContact O-N 2.7Å; S130-L133 PolarHBondContact O-N 2.82Å; F131-L133 VanDerWaalsContact C-N 3.26Å; F131-L133 PolarHBondContact O-N 3.12Å; L133-T161 WeakPolarHBondContact O-CG2 3.34Å
134	N	98.6	Very high	98.2	Very high	37 Å²	37	34 Å²	34	20%	0.198	18%	0.177	C	C	.	.	H	α-helix	trans	-112.5	-18.8	-164.9	-63.1	-85.3	0	0	0	114.6	S130 F131 A136 N167 F171 W180	S130-N134 WeakPolarHBondContact O-CB 3.44Å; S130-N134 PolarHBondContact O-N 3.38Å; S130-N134 PolarHBondContact O-ND2 3.36Å; F131-N134 PolarHBondContact O-N 2.78Å; N134-A136 PolarHBondContact O-N 2.83Å; N134-N167 PolarHBondContact O-ND2 2.58Å; N134-F171 HydrophobicContact CB-CZ 4.41Å; N134-W180 HydrophobicContact CB-CD2 4.07Å; N134-W180 HydrophobicContact CB-CE3 4.48Å; N134-W180 HydrophobicContact CB-CH2 4.09Å; N134-W180 HydrophobicContact CB-CZ2 3.59Å; N134-W180 HydrophobicContact CB-CZ3 4.5Å; N134-W180 PolarHBondContact OD1-NE1 3.49Å
135	F	98.8	Very high	98.1	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.221	C	C	.	.			trans	-71.5	131.6	-175.3	178.9	-105.2	0	0	0	112.6	E22 E23 W26 F47 F131 I159 L168 F171	E22-F135 HydrophobicContact CB-CE2 4.25Å; E22-F135 HydrophobicContact CB-CZ 3.89Å; E22-F135 HydrophobicContact CG-CE1 4.3Å; E22-F135 HydrophobicContact CG-CE2 4.2Å; E22-F135 HydrophobicContact CG-CZ 3.49Å; E22-F135 VanDerWaalsContact CG-CZ 3.49Å; E23-F135 HydrophobicContact CG-CE1 4.46Å; W26-F135 AromaticContact CD1-CD1 3.74Å; W26-F135 HydrophobicContact CG-CD1 4.37Å; F47-F135 HydrophobicContact CZ-CE2 4.43Å; F131-F135 HydrophobicContact CD2-CB 3.73Å; F131-F135 HydrophobicContact CD2-CD2 4.27Å; F131-F135 HydrophobicContact CD2-CG 4.15Å; F131-F135 HydrophobicContact CE1-CG 4.41Å; F131-F135 HydrophobicContact CE2-CB 3.52Å; F131-F135 HydrophobicContact CE2-CD1 4.21Å; F131-F135 AromaticContact CE2-CD2 3.33Å; F131-F135 HydrophobicContact CE2-CD2 3.33Å; F131-F135 HydrophobicContact CE2-CE2 4.09Å; F131-F135 AromaticContact CE2-CG 3.4Å; F131-F135 HydrophobicContact CE2-CG 3.4Å; F131-F135 HydrophobicContact CG-CB 4.3Å; F131-F135 HydrophobicContact CZ-CB 3.96Å; F131-F135 AromaticContact CZ-CD1 3.9Å; F131-F135 HydrophobicContact CZ-CD1 3.9Å; F131-F135 AromaticContact CZ-CD2 3.75Å; F131-F135 HydrophobicContact CZ-CD2 3.75Å; F131-F135 HydrophobicContact CZ-CE1 4.37Å; F131-F135 HydrophobicContact CZ-CE2 4.23Å; F131-F135 AromaticContact CZ-CG 3.57Å; F131-F135 HydrophobicContact CZ-CG 3.57Å; F131-F135 WeakPolarHBondContact O-CB 3.44Å; F131-F135 PolarHBondContact O-N 2.85Å; F135-I159 HydrophobicContact CD1-CB 4.4Å; F135-I159 HydrophobicContact CD1-CD1 4.49Å; F135-I159 HydrophobicContact CD1-CG2 3.99Å; F135-I159 HydrophobicContact CE1-CB 4.44Å; F135-I159 HydrophobicContact CE1-CD1 4.29Å; F135-L168 HydrophobicContact CE2-CB 4.46Å; F135-L168 HydrophobicContact CE2-CD1 3.84Å; F135-L168 HydrophobicContact CZ-CD1 4.32Å; F135-F171 HydrophobicContact CB-CE2 4.27Å; F135-F171 HydrophobicContact CB-CZ 4.08Å; F135-F171 AromaticContact CD2-CD2 3.82Å; F135-F171 HydrophobicContact CD2-CD2 3.82Å; F135-F171 AromaticContact CD2-CE2 3.78Å; F135-F171 HydrophobicContact CD2-CE2 3.78Å; F135-F171 HydrophobicContact CD2-CG 4.31Å; F135-F171 HydrophobicContact CD2-CZ 4.24Å; F135-F171 HydrophobicContact CE2-CD2 4.39Å
136	A	98.8	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.			trans	-139.7	134.8	173.5	0	0	0	0	0	111.5	N134 I159 T161 S164 M166 N167	N134-A136 PolarHBondContact O-N 2.83Å; A136-I159 CarbonylContact C-O 3.56Å; A136-I159 WeakPolarHBondContact CA-O 3.25Å; A136-T161 HydrophobicContact CB-CG2 4.42Å; A136-S164 WeakPolarHBondContact CB-O 3.33Å; A136-M166 WeakPolarHBondContact O-CA 3.43Å; A136-N167 PolarHBondContact N-OD1 2.8Å; A136-N167 PolarHBondContact O-N 3.27Å; A136-N167 PolarHBondContact O-OD1 2.6Å
137	S	98.7	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-144.5	117.2	174.4	177	0	0	0	0	110.1	R139 P158 I159 Q165	S137-R139 PolarHBondContact O-N 2.9Å; S137-R139 PolarHBondContact OG-N 2.82Å; S137-P158 WeakPolarHBondContact O-CB 3.49Å; S137-I159 PolarHBondContact N-O 2.68Å; S137-Q165 CarbonylContact C-O 3.31Å; S137-Q165 VanDerWaalsContact C-O 3.31Å
138	D	98.3	Very high	97.7	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.283	28%	0.277	S	S	.	.			trans	-81.7	0.4	170.8	71.5	-4.1	0	0	0	112.3	S140 Q165 M166	D138-S140 PolarHBondContact O-N 2.76Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 2.9Å; D138-S140 PolarHBondContact OD1-OG 3.33Å; D138-Q165 WeakPolarHBondContact CB-O 3.47Å; D138-Q165 PolarHBondContact N-O 2.98Å; D138-M166 HydrophobicContact CB-CB 4.39Å
139	R	98.5	Very high	97.6	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.045	29%	0.294	C	S	.	.	S	Bend	trans	64.6	11.8	-178.4	-52.2	169.8	179.9	155.9	3.8	114.4	Y20 E23 S137 H141 M142 W149 P154 Y156 T157	Y20-R139 HydrophobicContact CE1-CB 4.2Å; Y20-R139 HydrophobicContact CE1-CG 4.02Å; E23-R139 VanDerWaalsContact OE1-CG 3.32Å; E23-R139 WeakPolarHBondContact OE1-CG 3.18Å; E23-R139 IonicContact OE1-CZ 3.54Å; E23-R139 IonicContact OE1-NE 2.71Å; E23-R139 PolarHBondContact OE1-NE 3.13Å; E23-R139 IonicContact OE1-NH2 3.52Å; E23-R139 IonicContact OE2-CZ 3.57Å; E23-R139 IonicContact OE2-NE 3.52Å; E23-R139 IonicContact OE2-NH2 2.79Å; E23-R139 PolarHBondContact OE2-NH2 3.2Å; S137-R139 PolarHBondContact O-N 2.9Å; S137-R139 PolarHBondContact OG-N 2.82Å; R139-H141 PolarHBondContact O-N 3.14Å; R139-H141 VanDerWaalsContact O-N 3.17Å; R139-M142 PolarHBondContact O-N 3.13Å; R139-W149 HydrophobicContact CB-CH2 3.94Å; R139-W149 HydrophobicContact CB-CZ3 3.81Å; R139-W149 WeakPolarHBondContact O-CZ3 3.4Å; R139-P154 PolarHBondContact NH1-O 3.37Å; R139-Y156 PolarHBondContact NH1-O 2.88Å; R139-Y156 PolarHBondContact NH2-O 2.96Å; R139-T157 PolarHBondContact NH2-O 2.77Å
140	S	97.8	Very high	97.5	Very high	52 Å²	52	54.8 Å²	54.8	36%	0.364	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.7	-33.9	-179.6	55.7	0	0	0	0	113	D138 M142 R143	D138-S140 PolarHBondContact O-N 2.76Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 2.9Å; D138-S140 PolarHBondContact OD1-OG 3.33Å; S140-M142 PolarHBondContact O-N 3.14Å; S140-M142 VanDerWaalsContact O-N 3.16Å; S140-R143 WeakPolarHBondContact O-CB 3.39Å; S140-R143 PolarHBondContact O-N 2.91Å
141	H	96.8	Very high	97.4	Very high	46 Å²	46	57.1 Å²	57.1	21%	0.213	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.6	-22.9	176.3	73.4	-77.4	0	0	0	114.1	Y73 R139 K150 M166 L168	Y73-H141 PolarHBondContact OH-NE2 3.3Å; R139-H141 PolarHBondContact O-N 3.14Å; R139-H141 VanDerWaalsContact O-N 3.17Å; H141-K150 PolarHBondContact O-NZ 2.84Å; H141-M166 HydrophobicContact CB-CE 4.21Å; H141-L168 WeakPolarHBondContact CE1-CD2 3.42Å; H141-L168 WeakPolarHBondContact ND1-CD2 3.33Å
142	M	97.6	Very high	97.4	Very high	19 Å²	19	61.8 Å²	61.8	9%	0.094	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-93.1	4.1	176.6	-67	-60.9	-79.3	0	0	113.7	C19 Y20 R139 S140 W149 K150 M151	C19-M142 HydrophobicContact CB-CE 3.64Å; Y20-M142 HydrophobicContact CD1-CG 4.48Å; Y20-M142 HydrophobicContact CE1-CB 4.08Å; Y20-M142 HydrophobicContact CE1-CG 3.69Å; Y20-M142 HydrophobicContact CE2-CE 4.08Å; Y20-M142 VanDerWaalsContact OH-CB 3.25Å; Y20-M142 WeakPolarHBondContact OH-CB 3.43Å; R139-M142 PolarHBondContact O-N 3.13Å; S140-M142 PolarHBondContact O-N 3.14Å; S140-M142 VanDerWaalsContact O-N 3.16Å; M142-W149 HydrophobicContact CB-CE3 4.15Å; M142-W149 HydrophobicContact CB-CZ3 4.24Å; M142-K150 HydrophobicContact CE-CB 4.33Å; M142-K150 WeakPolarHBondContact O-CB 3.36Å; M142-K150 WeakPolarHBondContact O-CG 3.37Å; M142-K150 PolarHBondContact O-N 3.48Å; M142-M151 HydrophobicContact CE-CB 3.78Å; M142-M151 HydrophobicContact CE-CG 3.99Å
143	R	97	Very high	97.3	Very high	130 Å²	130	62.3 Å²	62.3	49%	0.491	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-91.4	141	172.9	-64.3	-172.5	174.5	-167.1	2.9	111.2	S140 T148 W149	S140-R143 WeakPolarHBondContact O-CB 3.39Å; S140-R143 PolarHBondContact O-N 2.91Å; R143-T148 CarbonylContact C-O 3.59Å; R143-T148 WeakPolarHBondContact CA-O 3.43Å; R143-W149 HydrophobicContact CG-CD2 4.36Å; R143-W149 HydrophobicContact CG-CE3 3.78Å; R143-W149 HydrophobicContact CG-CH2 3.94Å; R143-W149 HydrophobicContact CG-CZ2 4.48Å; R143-W149 HydrophobicContact CG-CZ3 3.55Å; R143-W149 VanDerWaalsContact NE-CH2 3.32Å
144	N	96	Very high	97.3	Very high	54 Å²	54	56.7 Å²	56.7	29%	0.289	31%	0.309	S	S	.	.			trans	-77.7	162	166.7	-69.7	-44.8	0	0	0	110.1	D146 G147 T148 K150	N144-D146 WeakPolarHBondContact CB-OD1 3.39Å; N144-D146 PolarHBondContact O-N 2.92Å; N144-D146 VanDerWaalsContact O-N 3.15Å; N144-G147 PolarHBondContact O-N 3.02Å; N144-T148 PolarHBondContact N-O 3.42Å; N144-T148 PolarHBondContact ND2-OG1 2.92Å; N144-K150 VanDerWaalsContact OD1-CG 3.23Å; N144-K150 WeakPolarHBondContact OD1-CG 3.42Å
145	P	96	Very high	97.2	Very high	146 Å²	146	63.7 Å²	63.7	95%	0.948	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.8	176	-26.3	35.6	0	0	0	114.4	G147	P145-G147 PolarHBondContact O-N 2.86Å
146	D	96.1	Very high	97.2	Very high	118 Å²	118	66.2 Å²	66.2	63%	0.631	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	1.4	176.3	67.8	0.7	0	0	0	113.7	N144 T148	N144-D146 WeakPolarHBondContact CB-OD1 3.39Å; N144-D146 PolarHBondContact O-N 2.92Å; N144-D146 VanDerWaalsContact O-N 3.15Å; D146-T148 VanDerWaalsContact C-N 3.31Å; D146-T148 VanDerWaalsContact OD1-CB 3.32Å; D146-T148 WeakPolarHBondContact OD1-CB 3.22Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.42Å; D146-T148 PolarHBondContact OD1-N 2.9Å; D146-T148 PolarHBondContact OD1-OG1 3.48Å; D146-T148 PolarHBondContact OD2-OG1 3.27Å
147	G	94.8	Very high	97.2	Very high	44 Å²	44	71.8 Å²	71.8	45%	0.454	39%	0.39	S	S	.	.	S	Bend	trans	83.9	-3.1	-178.9	0	0	0	0	0	115	N144 P145	N144-G147 PolarHBondContact O-N 3.02Å; P145-G147 PolarHBondContact O-N 2.86Å
148	T	96.7	Very high	97.1	Very high	69 Å²	69	74.2 Å²	74.2	42%	0.423	41%	0.406	S	S	.	.			trans	-75.1	161.8	174.2	66.8	0	0	0	0	111.5	R143 N144 D146	R143-T148 CarbonylContact C-O 3.59Å; R143-T148 WeakPolarHBondContact CA-O 3.43Å; N144-T148 PolarHBondContact N-O 3.42Å; N144-T148 PolarHBondContact ND2-OG1 2.92Å; D146-T148 VanDerWaalsContact C-N 3.31Å; D146-T148 VanDerWaalsContact OD1-CB 3.32Å; D146-T148 WeakPolarHBondContact OD1-CB 3.22Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.42Å; D146-T148 PolarHBondContact OD1-N 2.9Å; D146-T148 PolarHBondContact OD1-OG1 3.48Å; D146-T148 PolarHBondContact OD2-OG1 3.27Å
149	W	97.4	Very high	97.2	Very high	90 Å²	90	72.3 Å²	72.3	34%	0.341	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-88.7	133.8	178.2	-65.9	106.3	0	0	0	111.4	R139 M142 R143 M151 P153	R139-W149 HydrophobicContact CB-CH2 3.94Å; R139-W149 HydrophobicContact CB-CZ3 3.81Å; R139-W149 WeakPolarHBondContact O-CZ3 3.4Å; M142-W149 HydrophobicContact CB-CE3 4.15Å; M142-W149 HydrophobicContact CB-CZ3 4.24Å; R143-W149 HydrophobicContact CG-CD2 4.36Å; R143-W149 HydrophobicContact CG-CE3 3.78Å; R143-W149 HydrophobicContact CG-CH2 3.94Å; R143-W149 HydrophobicContact CG-CZ2 4.48Å; R143-W149 HydrophobicContact CG-CZ3 3.55Å; R143-W149 VanDerWaalsContact NE-CH2 3.32Å; W149-M151 VanDerWaalsContact C-N 3.27Å; W149-M151 WeakPolarHBondContact CB-O 3.41Å; W149-M151 PolarHBondContact O-N 3.07Å; W149-P153 HydrophobicContact CD2-CB 4.32Å; W149-P153 HydrophobicContact CD2-CG 3.93Å; W149-P153 HydrophobicContact CE3-CB 4.33Å; W149-P153 HydrophobicContact CE3-CG 4.44Å; W149-P153 HydrophobicContact CG-CG 4.27Å; W149-P153 HydrophobicContact CH2-CB 4.31Å; W149-P153 HydrophobicContact CH2-CG 4.48Å; W149-P153 HydrophobicContact CZ2-CB 4.3Å; W149-P153 HydrophobicContact CZ2-CG 3.97Å; W149-P153 HydrophobicContact CZ3-CB 4.33Å
150	K	96.5	Very high	97.1	Very high	111 Å²	111	76.2 Å²	76.2	48%	0.483	41%	0.414	S	S	.	.	S	Bend	trans	-60.6	-41	170.2	-68.7	175.6	-172.6	167.3	0	111.2	H141 M142 N144	H141-K150 PolarHBondContact O-NZ 2.84Å; M142-K150 HydrophobicContact CE-CB 4.33Å; M142-K150 WeakPolarHBondContact O-CB 3.36Å; M142-K150 WeakPolarHBondContact O-CG 3.37Å; M142-K150 PolarHBondContact O-N 3.48Å; N144-K150 VanDerWaalsContact OD1-CG 3.23Å; N144-K150 WeakPolarHBondContact OD1-CG 3.42Å
151	M	96.1	Very high	97	Very high	72 Å²	72	75.3 Å²	75.3	36%	0.355	41%	0.407	S	S	.	.	S	Bend	trans	-140.3	147.8	173.1	-66.9	-62.4	-69.7	0	0	109	C19 Y20 M142 W149	C19-M151 HydrophobicContact CB-CB 4.34Å; C19-M151 HydrophobicContact CB-CG 4Å; Y20-M151 HydrophobicContact CE2-CB 4.4Å; Y20-M151 PolarHBondContact OH-O 2.89Å; M142-M151 HydrophobicContact CE-CB 3.78Å; M142-M151 HydrophobicContact CE-CG 3.99Å; W149-M151 VanDerWaalsContact C-N 3.27Å; W149-M151 WeakPolarHBondContact CB-O 3.41Å; W149-M151 PolarHBondContact O-N 3.07Å
152	P	97.3	Very high	97	Very high	97 Å²	97	77.9 Å²	77.9	63%	0.63	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-55.1	128.1	179	-25	34.2	0	0	0	111.7	T17 Y20	T17-P152 VanDerWaalsContact CG2-O 3.27Å; T17-P152 WeakPolarHBondContact CG2-O 3.44Å; Y20-P152 WeakPolarHBondContact CE2-O 3.42Å
153	P	97.9	Very high	96.9	Very high	34 Å²	34	84.5 Å²	84.5	22%	0.221	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-74.8	161.8	-177.9	32.9	-37.9	0	0	0	111.7	Y20 W149	Y20-P153 WeakPolarHBondContact OH-CA 3.45Å; W149-P153 HydrophobicContact CD2-CB 4.32Å; W149-P153 HydrophobicContact CD2-CG 3.93Å; W149-P153 HydrophobicContact CE3-CB 4.33Å; W149-P153 HydrophobicContact CE3-CG 4.44Å; W149-P153 HydrophobicContact CG-CG 4.27Å; W149-P153 HydrophobicContact CH2-CB 4.31Å; W149-P153 HydrophobicContact CH2-CG 4.48Å; W149-P153 HydrophobicContact CZ2-CB 4.3Å; W149-P153 HydrophobicContact CZ2-CG 3.97Å; W149-P153 HydrophobicContact CZ3-CB 4.33Å
154	P	97.8	Very high	96.9	Very high	5 Å²	5	79.8 Å²	79.8	3%	0.032	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-57.6	144.7	169.5	-18	27.4	0	0	0	111.7	T17 Y20 R139 Y156	T17-P154 HydrophobicContact CG2-CG 4.12Å; Y20-P154 HydrophobicContact CD1-CG 4.16Å; Y20-P154 HydrophobicContact CD2-CG 4.39Å; Y20-P154 HydrophobicContact CG-CG 4Å; R139-P154 PolarHBondContact NH1-O 3.37Å; P154-Y156 VanDerWaalsContact C-N 3.31Å; P154-Y156 HydrophobicContact CB-CD1 3.97Å; P154-Y156 HydrophobicContact CB-CE1 3.43Å; P154-Y156 VanDerWaalsContact CB-CE1 3.43Å; P154-Y156 HydrophobicContact CB-CE2 4.08Å; P154-Y156 HydrophobicContact CB-CG 4.48Å; P154-Y156 VanDerWaalsContact CB-CZ 3.44Å; P154-Y156 HydrophobicContact CG-CE1 4.4Å; P154-Y156 PolarHBondContact O-N 2.99Å
155	L	97.1	Very high	97	Very high	184 Å²	184	83.1 Å²	83.1	96%	0.963	47%	0.467	S	S	*	.	S	Bend	trans	-74.6	-18.3	-175.2	-61.8	-179.5	0	0	0	114.1
156	Y	98.1	Very high	97.1	Very high	55 Å²	55	78.7 Å²	78.7	22%	0.216	43%	0.434	C	S	.	.	S	Bend	trans	-82.1	159.7	174.2	57.2	-95.3	0	0	0	110.7	V15 E23 K27 R139 P154 I159	V15-Y156 HydrophobicContact CG1-CD1 4.44Å; V15-Y156 HydrophobicContact CG1-CE1 3.75Å; E23-Y156 VanDerWaalsContact CB-OH 3.26Å; E23-Y156 WeakPolarHBondContact CB-OH 3.32Å; E23-Y156 WeakPolarHBondContact OE2-CE2 3.22Å; E23-Y156 VanDerWaalsContact OE2-CZ 3.3Å; E23-Y156 PolarHBondContact OE2-OH 3.2Å; K27-Y156 HydrophobicContact CG-CE1 4.44Å; R139-Y156 PolarHBondContact NH1-O 2.88Å; R139-Y156 PolarHBondContact NH2-O 2.96Å; P154-Y156 VanDerWaalsContact C-N 3.31Å; P154-Y156 HydrophobicContact CB-CD1 3.97Å; P154-Y156 HydrophobicContact CB-CE1 3.43Å; P154-Y156 VanDerWaalsContact CB-CE1 3.43Å; P154-Y156 HydrophobicContact CB-CE2 4.08Å; P154-Y156 HydrophobicContact CB-CG 4.48Å; P154-Y156 VanDerWaalsContact CB-CZ 3.44Å; P154-Y156 HydrophobicContact CG-CE1 4.4Å; P154-Y156 PolarHBondContact O-N 2.99Å; Y156-I159 HydrophobicContact CE2-CD1 4.4Å; Y156-I159 HydrophobicContact CE2-CG1 4.39Å
157	T	98.1	Very high	97.3	Very high	117 Å²	117	73.7 Å²	73.7	72%	0.718	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.6	179.6	49.2	0	0	0	0	112	R139	R139-T157 PolarHBondContact NH2-O 2.77Å
158	P	98.4	Very high	97.5	Very high	51 Å²	51	71.6 Å²	71.6	33%	0.331	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-50.3	144.7	174	-26.6	35.3	0	0	0	112.6	S137 Q160	S137-P158 WeakPolarHBondContact O-CB 3.49Å; P158-Q160 HydrophobicContact CB-CG 4.41Å
159	I	98.6	Very high	97.5	Very high	13 Å²	13	72.1 Å²	72.1	7%	0.067	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-80.1	124.2	176	-62.6	159.8	0	0	0	107.3	E23 W26 F135 A136 S137 Y156	E23-I159 HydrophobicContact CB-CD1 4.02Å; E23-I159 HydrophobicContact CG-CD1 3.95Å; W26-I159 HydrophobicContact CB-CD1 3.93Å; W26-I159 HydrophobicContact CD2-CD1 3.55Å; W26-I159 HydrophobicContact CD2-CG1 4.21Å; W26-I159 HydrophobicContact CD2-CG2 4.24Å; W26-I159 HydrophobicContact CE3-CD1 3.63Å; W26-I159 HydrophobicContact CE3-CG1 4.19Å; W26-I159 HydrophobicContact CG-CD1 3.69Å; W26-I159 HydrophobicContact CZ2-CG2 4.03Å; W26-I159 HydrophobicContact CZ3-CD1 4.34Å; W26-I159 HydrophobicContact CZ3-CG1 4.44Å; F135-I159 HydrophobicContact CD1-CB 4.4Å; F135-I159 HydrophobicContact CD1-CD1 4.49Å; F135-I159 HydrophobicContact CD1-CG2 3.99Å; F135-I159 HydrophobicContact CE1-CB 4.44Å; F135-I159 HydrophobicContact CE1-CD1 4.29Å; A136-I159 CarbonylContact C-O 3.56Å; A136-I159 WeakPolarHBondContact CA-O 3.25Å; S137-I159 PolarHBondContact N-O 2.68Å; Y156-I159 HydrophobicContact CE2-CD1 4.4Å; Y156-I159 HydrophobicContact CE2-CG1 4.39Å
160	Q	96.7	Very high	97.6	Very high	93 Å²	93	71.1 Å²	71.1	44%	0.435	39%	0.388	S	S	.	.			trans	-141	155	-176.5	-61	-175.4	-32.1	0	0	109.6	P158 Q165	P158-Q160 HydrophobicContact CB-CG 4.41Å; Q160-Q165 HydrophobicContact CG-CB 4.49Å
161	T	96.8	Very high	97.7	Very high	34 Å²	34	65.8 Å²	65.8	21%	0.209	37%	0.365	C	S	.	.			trans	-110	178	170.8	81.5	0	0	0	0	109.9	L133 A136 E163 S164	L133-T161 WeakPolarHBondContact O-CG2 3.34Å; A136-T161 HydrophobicContact CB-CG2 4.42Å; T161-E163 VanDerWaalsContact CB-OE2 3.31Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact O-N 3.13Å; T161-E163 PolarHBondContact OG1-N 2.87Å; T161-E163 VanDerWaalsContact OG1-N 3.14Å; T161-E163 PolarHBondContact OG1-OE2 2.91Å; T161-S164 PolarHBondContact N-O 3.32Å; T161-S164 PolarHBondContact OG1-N 3.46Å; T161-S164 VanDerWaalsContact OG1-N 3.07Å
162	A	95.4	Very high	97.8	Very high	100 Å²	100	62.6 Å²	62.6	83%	0.826	35%	0.349	S	S	*	.	S	Bend	trans	-68.9	-25.3	173.5	0	0	0	0	0	111.9
163	E	96	Very high	97.9	Very high	158 Å²	158	59.3 Å²	59.3	74%	0.738	33%	0.328	S	S	*	.	S	Bend	trans	-96.3	-26.5	-173	-55.2	73.2	-159.9	0	0	113	T161	T161-E163 VanDerWaalsContact CB-OE2 3.31Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact O-N 3.13Å; T161-E163 PolarHBondContact OG1-N 2.87Å; T161-E163 VanDerWaalsContact OG1-N 3.14Å; T161-E163 PolarHBondContact OG1-OE2 2.91Å
164	S	97.8	Very high	97.9	Very high	30 Å²	30	58 Å²	58	21%	0.21	32%	0.319	C	S	.	.			trans	-146.3	145	-177.6	-172.7	0	0	0	0	113.4	A136 T161 M166	A136-S164 WeakPolarHBondContact CB-O 3.33Å; T161-S164 PolarHBondContact N-O 3.32Å; T161-S164 PolarHBondContact OG1-N 3.46Å; T161-S164 VanDerWaalsContact OG1-N 3.07Å; S164-M166 VanDerWaalsContact OG-C 3.31Å; S164-M166 PolarHBondContact OG-N 3.5Å; S164-M166 VanDerWaalsContact OG-N 3.1Å; S164-M166 PolarHBondContact OG-O 3.44Å
165	Q	98.1	Very high	97.9	Very high	124 Å²	124	59.8 Å²	59.8	58%	0.579	33%	0.332	S	S	*	.	S	Bend	trans	-99.2	-19.8	168	-64.3	-172.4	-4.9	0	0	112.4	S137 D138 Q160	S137-Q165 CarbonylContact C-O 3.31Å; S137-Q165 VanDerWaalsContact C-O 3.31Å; D138-Q165 WeakPolarHBondContact CB-O 3.47Å; D138-Q165 PolarHBondContact N-O 2.98Å; Q160-Q165 HydrophobicContact CG-CB 4.49Å
166	M	98.4	Very high	97.9	Very high	53 Å²	53	56.6 Å²	56.6	26%	0.261	32%	0.322	S	S	.	.			trans	-158.1	112.3	-176.7	-179.4	58.2	175.2	0	0	109.6	A136 D138 H141 S164 L168	A136-M166 WeakPolarHBondContact O-CA 3.43Å; D138-M166 HydrophobicContact CB-CB 4.39Å; H141-M166 HydrophobicContact CB-CE 4.21Å; S164-M166 VanDerWaalsContact OG-C 3.31Å; S164-M166 PolarHBondContact OG-N 3.5Å; S164-M166 VanDerWaalsContact OG-N 3.1Å; S164-M166 PolarHBondContact OG-O 3.44Å; M166-L168 HydrophobicContact CE-CB 3.7Å; M166-L168 HydrophobicContact CE-CD2 4.2Å; M166-L168 HydrophobicContact SD-CB 3.92Å
167	N	98.6	Very high	97.8	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.07	35%	0.347	C	S	.	.			trans	-140.1	18.3	173.7	60.7	10.9	0	0	0	112.3	N134 A136 D169 D170 F171	N134-N167 PolarHBondContact O-ND2 2.58Å; A136-N167 PolarHBondContact N-OD1 2.8Å; A136-N167 PolarHBondContact O-N 3.27Å; A136-N167 PolarHBondContact O-OD1 2.6Å; N167-D169 PolarHBondContact O-N 3.49Å; N167-D169 VanDerWaalsContact O-N 3.14Å; N167-D170 WeakPolarHBondContact O-CB 3.34Å; N167-D170 PolarHBondContact O-N 2.97Å; N167-F171 WeakPolarHBondContact O-CD2 3.43Å; N167-F171 WeakPolarHBondContact OD1-CE2 3.34Å
168	L	98.7	Very high	97.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-52.4	-37.9	-179.1	174	61.1	0	0	0	112.9	E22 F47 Y73 F135 H141 M166 D170 F171 I172	E22-L168 HydrophobicContact CB-CD1 4.2Å; E22-L168 HydrophobicContact CG-CD1 3.98Å; F47-L168 HydrophobicContact CE1-CD1 3.82Å; F47-L168 HydrophobicContact CZ-CD1 4.4Å; Y73-L168 HydrophobicContact CE2-CD1 4.36Å; F135-L168 HydrophobicContact CE2-CB 4.46Å; F135-L168 HydrophobicContact CE2-CD1 3.84Å; F135-L168 HydrophobicContact CZ-CD1 4.32Å; H141-L168 WeakPolarHBondContact CE1-CD2 3.42Å; H141-L168 WeakPolarHBondContact ND1-CD2 3.33Å; M166-L168 HydrophobicContact CE-CB 3.7Å; M166-L168 HydrophobicContact CE-CD2 4.2Å; M166-L168 HydrophobicContact SD-CB 3.92Å; L168-D170 PolarHBondContact O-N 2.94Å; L168-F171 WeakPolarHBondContact O-CB 3.28Å; L168-F171 PolarHBondContact O-N 3.31Å; L168-I172 HydrophobicContact CD1-CD1 3.94Å; L168-I172 HydrophobicContact CD1-CG1 4Å; L168-I172 HydrophobicContact CD2-CD1 4.06Å; L168-I172 HydrophobicContact CG-CD1 3.6Å; L168-I172 HydrophobicContact CG-CG1 4.13Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.43Å
169	D	98.5	Very high	97.5	Very high	80 Å²	80	55.2 Å²	55.2	43%	0.428	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-29.3	179.3	-83.1	-29.7	0	0	0	112.9	R53 N167 F171 I172 S173	R53-D169 IonicContact CZ-OD1 3.99Å; R53-D169 IonicContact NH1-OD1 2.89Å; R53-D169 PolarHBondContact NH1-OD1 3.37Å; R53-D169 VanDerWaalsContact NH1-OD1 3.12Å; R53-D169 IonicContact NH2-OD1 2.9Å; R53-D169 PolarHBondContact NH2-OD1 2.89Å; N167-D169 PolarHBondContact O-N 3.49Å; N167-D169 VanDerWaalsContact O-N 3.14Å; D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 2.88Å; D169-I172 PolarHBondContact O-N 2.89Å; D169-S173 WeakPolarHBondContact O-CB 3.33Å; D169-S173 PolarHBondContact O-N 3.31Å
170	D	98.4	Very high	97.5	Very high	68 Å²	68	58.1 Å²	58.1	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-69.8	-28.6	176.2	-59.5	-28.3	0	0	0	111.8	N167 L168 W180	N167-D170 WeakPolarHBondContact O-CB 3.34Å; N167-D170 PolarHBondContact O-N 2.97Å; L168-D170 PolarHBondContact O-N 2.94Å; D170-W180 HydrophobicContact CB-CZ3 4.28Å
171	F	98.7	Very high	97.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-82.2	-36.2	174	-67.5	-89.3	0	0	0	112.2	F47 R124 I126 F131 N134 F135 N167 L168 D169 W180	F47-F171 HydrophobicContact CD1-CB 3.93Å; F47-F171 HydrophobicContact CD2-CB 4.15Å; F47-F171 HydrophobicContact CE1-CB 3.64Å; F47-F171 HydrophobicContact CE2-CB 3.87Å; F47-F171 HydrophobicContact CE2-CD1 4.04Å; F47-F171 HydrophobicContact CE2-CG 4.24Å; F47-F171 HydrophobicContact CG-CB 4.19Å; F47-F171 HydrophobicContact CZ-CB 3.61Å; F47-F171 HydrophobicContact CZ-CD1 4.38Å; F47-F171 HydrophobicContact CZ-CG 4.15Å; R124-F171 WeakPolarHBondContact CD-O 3.42Å; R124-F171 PolarHBondContact NE-O 2.98Å; I126-F171 HydrophobicContact CD1-CD1 4.24Å; I126-F171 HydrophobicContact CG1-CD1 4.3Å; F131-F171 AromaticContact CD2-CD1 3.97Å; F131-F171 HydrophobicContact CD2-CD1 3.97Å; F131-F171 AromaticContact CD2-CE1 3.6Å; F131-F171 HydrophobicContact CD2-CE1 3.6Å; F131-F171 HydrophobicContact CD2-CZ 4.21Å; F131-F171 HydrophobicContact CE2-CD1 4.05Å; F131-F171 HydrophobicContact CE2-CE1 4.04Å; N134-F171 HydrophobicContact CB-CZ 4.41Å; F135-F171 HydrophobicContact CB-CE2 4.27Å; F135-F171 HydrophobicContact CB-CZ 4.08Å; F135-F171 AromaticContact CD2-CD2 3.82Å; F135-F171 HydrophobicContact CD2-CD2 3.82Å; F135-F171 AromaticContact CD2-CE2 3.78Å; F135-F171 HydrophobicContact CD2-CE2 3.78Å; F135-F171 HydrophobicContact CD2-CG 4.31Å; F135-F171 HydrophobicContact CD2-CZ 4.24Å; F135-F171 HydrophobicContact CE2-CD2 4.39Å; N167-F171 WeakPolarHBondContact O-CD2 3.43Å; N167-F171 WeakPolarHBondContact OD1-CE2 3.34Å; L168-F171 WeakPolarHBondContact O-CB 3.28Å; L168-F171 PolarHBondContact O-N 3.31Å; D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 2.88Å; F171-W180 HydrophobicContact CD1-CE3 4.41Å; F171-W180 HydrophobicContact CD2-CE3 4.4Å; F171-W180 HydrophobicContact CD2-CZ3 4.23Å; F171-W180 HydrophobicContact CE1-CD2 4.41Å; F171-W180 AromaticContact CE1-CE3 3.68Å; F171-W180 HydrophobicContact CE1-CE3 3.68Å; F171-W180 HydrophobicContact CE1-CZ3 4.31Å; F171-W180 AromaticContact CE2-CE3 3.68Å; F171-W180 HydrophobicContact CE2-CE3 3.68Å; F171-W180 HydrophobicContact CE2-CH2 4.41Å; F171-W180 AromaticContact CE2-CZ3 3.42Å; F171-W180 HydrophobicContact CE2-CZ3 3.42Å; F171-W180 VanDerWaalsContact CE2-CZ3 3.42Å; F171-W180 HydrophobicContact CZ-CD2 4.12Å; F171-W180 AromaticContact CZ-CE3 3.27Å; F171-W180 HydrophobicContact CZ-CE3 3.27Å; F171-W180 HydrophobicContact CZ-CH2 4.44Å; F171-W180 AromaticContact CZ-CZ3 3.48Å; F171-W180 HydrophobicContact CZ-CZ3 3.48Å; F171-W180 VanDerWaalsContact CZ-CZ3 3.48Å
172	I	98.8	Very high	97.7	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-70.4	-35	175.7	-65.1	170.9	0	0	0	111	F47 Y73 L168 D169 M174	F47-I172 HydrophobicContact CD1-CG1 4.28Å; F47-I172 HydrophobicContact CE1-CG1 4.44Å; Y73-I172 HydrophobicContact CD1-CD1 3.37Å; Y73-I172 HydrophobicContact CD1-CG1 3.85Å; Y73-I172 HydrophobicContact CD2-CD1 4.24Å; Y73-I172 HydrophobicContact CD2-CG1 3.97Å; Y73-I172 HydrophobicContact CE1-CD1 3.45Å; Y73-I172 VanDerWaalsContact CE1-CD1 3.45Å; Y73-I172 HydrophobicContact CE1-CG1 4.24Å; Y73-I172 HydrophobicContact CE2-CD1 4.31Å; Y73-I172 HydrophobicContact CE2-CG1 4.36Å; Y73-I172 HydrophobicContact CG-CD1 3.8Å; Y73-I172 HydrophobicContact CG-CG1 3.71Å; Y73-I172 HydrophobicContact CG-CG2 4.42Å; L168-I172 HydrophobicContact CD1-CD1 3.94Å; L168-I172 HydrophobicContact CD1-CG1 4Å; L168-I172 HydrophobicContact CD2-CD1 4.06Å; L168-I172 HydrophobicContact CG-CD1 3.6Å; L168-I172 HydrophobicContact CG-CG1 4.13Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.43Å; D169-I172 PolarHBondContact O-N 2.89Å; I172-M174 WeakPolarHBondContact O-CE 3.3Å; I172-M174 PolarHBondContact O-N 2.86Å
173	S	98.6	Very high	97.8	Very high	27 Å²	27	54.1 Å²	54.1	19%	0.189	32%	0.323	C	S	.	.			trans	-55.6	134.1	179.7	179.6	0	0	0	0	110.7	R124 D169 S175 D178	R124-S173 VanDerWaalsContact CZ-O 3.26Å; R124-S173 PolarHBondContact NE-O 2.78Å; R124-S173 PolarHBondContact NH2-O 2.95Å; D169-S173 WeakPolarHBondContact O-CB 3.33Å; D169-S173 PolarHBondContact O-N 3.31Å; S173-S175 WeakPolarHBondContact OG-CB 3.47Å; S173-S175 PolarHBondContact OG-N 3.48Å; S173-D178 WeakPolarHBondContact CB-OD2 3.38Å; S173-D178 PolarHBondContact OG-OD2 3.11Å
174	M	98.6	Very high	98	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.039	30%	0.298	C	S	.	.			trans	-103.6	16.9	175.6	-61.3	-70.2	138.7	0	0	111.6	F47 K122 R124 I172 V183	F47-M174 HydrophobicContact CB-CE 4.04Å; K122-M174 HydrophobicContact CB-CB 3.86Å; K122-M174 HydrophobicContact CB-CG 3.71Å; K122-M174 HydrophobicContact CB-SD 3.63Å; K122-M174 HydrophobicContact CD-CB 3.56Å; K122-M174 HydrophobicContact CD-CG 4.25Å; K122-M174 HydrophobicContact CG-CB 4.37Å; R124-M174 HydrophobicContact CB-CE 3.81Å; R124-M174 HydrophobicContact CB-SD 4.11Å; I172-M174 WeakPolarHBondContact O-CE 3.3Å; I172-M174 PolarHBondContact O-N 2.86Å; M174-V183 HydrophobicContact CB-CG1 4.18Å; M174-V183 HydrophobicContact SD-CG1 4.08Å
175	S	98.1	Very high	98	Very high	42 Å²	42	50.2 Å²	50.2	29%	0.294	31%	0.305	S	S	.	.			trans	-77.1	125.6	166.8	172.4	0	0	0	0	109.7	R124 S173 A177 D178	R124-S175 PolarHBondContact NH2-O 2.87Å; S173-S175 WeakPolarHBondContact OG-CB 3.47Å; S173-S175 PolarHBondContact OG-N 3.48Å; S175-A177 PolarHBondContact O-N 2.92Å; S175-A177 VanDerWaalsContact O-N 3.13Å; S175-A177 PolarHBondContact OG-N 2.84Å; S175-D178 VanDerWaalsContact CB-OD2 3.22Å; S175-D178 WeakPolarHBondContact CB-OD2 3.42Å; S175-D178 PolarHBondContact O-N 3.42Å; S175-D178 VanDerWaalsContact O-N 3.14Å
176	P	96.1	Very high	98	Very high	116 Å²	116	44.5 Å²	44.5	75%	0.753	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	175.5	-22.7	33.8	0	0	0	114.4	D178	P176-D178 VanDerWaalsContact C-N 3.33Å
177	A	96.8	Very high	97.9	Very high	91 Å²	91	45.8 Å²	45.8	75%	0.752	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.9	178.4	0	0	0	0	0	113.3	S175	S175-A177 PolarHBondContact O-N 2.92Å; S175-A177 VanDerWaalsContact O-N 3.13Å; S175-A177 PolarHBondContact OG-N 2.84Å
178	D	95.3	Very high	97.9	Very high	63 Å²	63	50.9 Å²	50.9	34%	0.337	31%	0.31	S	S	.	.	S	Bend	trans	-102.2	151.4	-174.7	-53.9	-11.8	0	0	0	110.5	R124 S173 S175 P176	R124-D178 PolarHBondContact NH1-O 2.75Å; R124-D178 PolarHBondContact NH2-O 2.62Å; S173-D178 WeakPolarHBondContact CB-OD2 3.38Å; S173-D178 PolarHBondContact OG-OD2 3.11Å; S175-D178 VanDerWaalsContact CB-OD2 3.22Å; S175-D178 WeakPolarHBondContact CB-OD2 3.42Å; S175-D178 PolarHBondContact O-N 3.42Å; S175-D178 VanDerWaalsContact O-N 3.14Å; P176-D178 VanDerWaalsContact C-N 3.33Å
179	G	95.4	Very high	97.8	Very high	40 Å²	40	50.8 Å²	50.8	41%	0.412	31%	0.309	S	S	.	.	S	Bend	trans	61.3	-150	166.3	0	0	0	0	0	115.6
180	W	98	Very high	97.8	Very high	74 Å²	74	48.7 Å²	48.7	28%	0.28	30%	0.298	S	S	.	.	S	Bend	trans	-116.1	163.5	-174.4	-61.5	-98.3	0	0	0	112.2	R124 I126 N134 D170 F171	R124-W180 WeakPolarHBondContact CD-O 3.4Å; R124-W180 PolarHBondContact NH1-O 3.06Å; I126-W180 HydrophobicContact CG2-CB 3.98Å; N134-W180 HydrophobicContact CB-CD2 4.07Å; N134-W180 HydrophobicContact CB-CE3 4.48Å; N134-W180 HydrophobicContact CB-CH2 4.09Å; N134-W180 HydrophobicContact CB-CZ2 3.59Å; N134-W180 HydrophobicContact CB-CZ3 4.5Å; N134-W180 PolarHBondContact OD1-NE1 3.49Å; D170-W180 HydrophobicContact CB-CZ3 4.28Å; F171-W180 HydrophobicContact CD1-CE3 4.41Å; F171-W180 HydrophobicContact CD2-CE3 4.4Å; F171-W180 HydrophobicContact CD2-CZ3 4.23Å; F171-W180 HydrophobicContact CE1-CD2 4.41Å; F171-W180 AromaticContact CE1-CE3 3.68Å; F171-W180 HydrophobicContact CE1-CE3 3.68Å; F171-W180 HydrophobicContact CE1-CZ3 4.31Å; F171-W180 AromaticContact CE2-CE3 3.68Å; F171-W180 HydrophobicContact CE2-CE3 3.68Å; F171-W180 HydrophobicContact CE2-CH2 4.41Å; F171-W180 AromaticContact CE2-CZ3 3.42Å; F171-W180 HydrophobicContact CE2-CZ3 3.42Å; F171-W180 VanDerWaalsContact CE2-CZ3 3.42Å; F171-W180 HydrophobicContact CZ-CD2 4.12Å; F171-W180 AromaticContact CZ-CE3 3.27Å; F171-W180 HydrophobicContact CZ-CE3 3.27Å; F171-W180 HydrophobicContact CZ-CH2 4.44Å; F171-W180 AromaticContact CZ-CZ3 3.48Å; F171-W180 HydrophobicContact CZ-CZ3 3.48Å; F171-W180 VanDerWaalsContact CZ-CZ3 3.48Å
181	G	98.1	Very high	97.6	Very high	39 Å²	39	51.4 Å²	51.4	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	76.6	-157.7	176.2	0	0	0	0	0	113.4	V125	V125-G181 CarbonylContact O-C 3.6Å; V125-G181 WeakPolarHBondContact O-CA 3.21Å
182	T	98.7	Very high	97.5	Very high	75 Å²	75	55 Å²	55	46%	0.46	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.8	-176.1	-57.4	0	0	0	0	110.7	R124 V125 Y184	R124-T182 CarbonylContact C-O 3.58Å; R124-T182 WeakPolarHBondContact CA-O 3.4Å; V125-T182 PolarHBondContact N-O 3.01Å; V125-T182 PolarHBondContact O-N 2.84Å; T182-Y184 HydrophobicContact CG2-CD2 4.27Å; T182-Y184 HydrophobicContact CG2-CE1 4.3Å; T182-Y184 HydrophobicContact CG2-CE2 3.61Å; T182-Y184 WeakPolarHBondContact O-CD2 3.27Å
183	V	98.8	Very high	97.3	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.3	177.8	-176	0	0	0	0	110.4	K122 L123 R124 M174	K122-V183 HydrophobicContact CB-CG1 4.2Å; L123-V183 CarbonylContact O-C 3.59Å; L123-V183 WeakPolarHBondContact O-CA 3.35Å; R124-V183 HydrophobicContact CB-CG2 4.18Å; R124-V183 HydrophobicContact CG-CG2 4.28Å; M174-V183 HydrophobicContact CB-CG1 4.18Å; M174-V183 HydrophobicContact SD-CG1 4.08Å
184	Y	98.7	Very high	96.9	Very high	53 Å²	53	56.4 Å²	56.4	21%	0.208	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.2	179.2	-62.4	-93.4	0	0	0	111.1	K122 L123 V125 T182 H188 F189 Y193	K122-Y184 CarbonylContact C-O 3.6Å; K122-Y184 WeakPolarHBondContact CA-O 3.45Å; L123-Y184 PolarHBondContact N-O 3.32Å; L123-Y184 PolarHBondContact O-N 3.36Å; V125-Y184 HydrophobicContact CB-CD2 4.35Å; V125-Y184 HydrophobicContact CB-CE2 4.06Å; V125-Y184 HydrophobicContact CG2-CD2 3.75Å; V125-Y184 HydrophobicContact CG2-CE2 3.88Å; T182-Y184 HydrophobicContact CG2-CD2 4.27Å; T182-Y184 HydrophobicContact CG2-CE1 4.3Å; T182-Y184 HydrophobicContact CG2-CE2 3.61Å; T182-Y184 WeakPolarHBondContact O-CD2 3.27Å; Y184-H188 HydrophobicContact CD1-CB 4.21Å; Y184-F189 HydrophobicContact CG-CB 4.43Å; Y184-Y193 HydrophobicContact CE2-CE2 4.23Å
185	S	98.3	Very high	95.4	Very high	53 Å²	53	57.8 Å²	57.8	37%	0.371	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	159	153.9	66.1	0	0	0	0	109.6	D187 H188 F189	S185-D187 VanDerWaalsContact C-N 3.33Å; S185-D187 PolarHBondContact O-N 3.11Å; S185-H188 PolarHBondContact O-N 3.11Å; S185-H188 WeakPolarHBondContact OG-CB 3.43Å; S185-H188 PolarHBondContact OG-N 3.1Å; S185-F189 WeakPolarHBondContact O-CB 3.19Å; S185-F189 PolarHBondContact O-N 3.05Å
186	L	98.3	Very high	93.4	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-53.2	-48.9	175.3	178.8	74.2	0	0	0	113.2	F109 R110 D112 R121 L123 H188 F189 L190	F109-L186 HydrophobicContact CB-CD1 3.95Å; F109-L186 HydrophobicContact CD1-CD1 4.21Å; F109-L186 HydrophobicContact CD2-CD1 3.96Å; F109-L186 HydrophobicContact CG-CD1 3.79Å; R110-L186 VanDerWaalsContact O-CD2 3.27Å; R110-L186 WeakPolarHBondContact O-CD2 3.25Å; D112-L186 HydrophobicContact CB-CD2 4.5Å; R121-L186 PolarHBondContact O-N 3.26Å; L123-L186 HydrophobicContact CD1-CB 4.17Å; L123-L186 HydrophobicContact CD1-CD1 4.05Å; L186-H188 VanDerWaalsContact C-N 3.33Å; L186-H188 PolarHBondContact O-N 3.43Å; L186-F189 PolarHBondContact O-N 2.94Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 HydrophobicContact CD1-CG 4.31Å; L186-L190 HydrophobicContact CG-CD1 4.05Å; L186-L190 HydrophobicContact CG-CG 4.48Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.03Å
187	D	96.8	Very high	91.2	Very high	81 Å²	81	61.6 Å²	61.6	43%	0.433	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-41.5	-176.6	-76.4	-6	0	0	0	111.1	S185 L191	S185-D187 VanDerWaalsContact C-N 3.33Å; S185-D187 PolarHBondContact O-N 3.11Å; D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.08Å; D187-L191 PolarHBondContact O-N 3Å
188	H	97.6	Very high	88.7	Confident	119 Å²	119	61.5 Å²	61.5	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-67.6	-42.2	175.9	-71.8	179.7	0	0	0	111.9	Y184 S185 L186 L190 L191 T192	Y184-H188 HydrophobicContact CD1-CB 4.21Å; S185-H188 PolarHBondContact O-N 3.11Å; S185-H188 WeakPolarHBondContact OG-CB 3.43Å; S185-H188 PolarHBondContact OG-N 3.1Å; L186-H188 VanDerWaalsContact C-N 3.33Å; L186-H188 PolarHBondContact O-N 3.43Å; H188-L190 PolarHBondContact O-N 3.07Å; H188-L191 PolarHBondContact O-N 3.13Å; H188-T192 WeakPolarHBondContact O-CB 3.11Å; H188-T192 PolarHBondContact O-N 3.37Å; H188-T192 PolarHBondContact O-OG1 2.9Å
189	F	98.3	Very high	86.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-57.9	-48.6	175.4	170.4	-97.8	0	0	0	111.6	V46 L78 L101 F109 L123 V125 Y184 S185 L186 L191 T192 Y193	V46-F189 HydrophobicContact CG1-CE2 4.17Å; V46-F189 HydrophobicContact CG1-CZ 4.39Å; V46-F189 HydrophobicContact CG2-CE2 4.2Å; V46-F189 HydrophobicContact CG2-CZ 4.43Å; L78-F189 HydrophobicContact CD2-CE2 4.03Å; L78-F189 HydrophobicContact CD2-CZ 4.12Å; L101-F189 HydrophobicContact CD1-CE1 3.77Å; L101-F189 HydrophobicContact CD1-CZ 4.19Å; L101-F189 HydrophobicContact CD2-CE1 4.35Å; L101-F189 HydrophobicContact CD2-CZ 4.48Å; F109-F189 HydrophobicContact CE2-CD1 4.43Å; F109-F189 AromaticContact CE2-CE1 3.85Å; F109-F189 HydrophobicContact CE2-CE1 3.85Å; F109-F189 HydrophobicContact CZ-CE1 4.45Å; L123-F189 HydrophobicContact CB-CB 4.48Å; L123-F189 HydrophobicContact CB-CD2 4.27Å; L123-F189 HydrophobicContact CB-CG 4.34Å; L123-F189 HydrophobicContact CD1-CB 4.09Å; L123-F189 HydrophobicContact CD1-CD1 4.47Å; L123-F189 HydrophobicContact CD1-CG 4.31Å; L123-F189 HydrophobicContact CD2-CB 4.37Å; L123-F189 HydrophobicContact CD2-CD1 3.54Å; L123-F189 HydrophobicContact CD2-CD2 4.01Å; L123-F189 HydrophobicContact CD2-CE1 3.68Å; L123-F189 HydrophobicContact CD2-CE2 4.15Å; L123-F189 HydrophobicContact CD2-CG 3.7Å; L123-F189 HydrophobicContact CD2-CZ 4Å; L123-F189 HydrophobicContact CG-CG 4.35Å; V125-F189 HydrophobicContact CG2-CD2 3.71Å; V125-F189 HydrophobicContact CG2-CE2 3.75Å; Y184-F189 HydrophobicContact CG-CB 4.43Å; S185-F189 WeakPolarHBondContact O-CB 3.19Å; S185-F189 PolarHBondContact O-N 3.05Å; L186-F189 PolarHBondContact O-N 2.94Å; F189-L191 PolarHBondContact O-N 2.76Å; F189-T192 PolarHBondContact O-N 3.32Å; F189-Y193 AromaticContact CD2-CD2 3.44Å; F189-Y193 HydrophobicContact CD2-CD2 3.44Å; F189-Y193 VanDerWaalsContact CD2-CD2 3.44Å; F189-Y193 AromaticContact CD2-CE2 3.81Å; F189-Y193 HydrophobicContact CD2-CE2 3.81Å; F189-Y193 HydrophobicContact CD2-CG 4.48Å; F189-Y193 AromaticContact CE2-CD2 3.56Å; F189-Y193 HydrophobicContact CE2-CD2 3.56Å; F189-Y193 HydrophobicContact CE2-CE2 4.02Å; F189-Y193 HydrophobicContact CE2-CG 4.24Å; F189-Y193 HydrophobicContact CG-CD2 4.21Å; F189-Y193 HydrophobicContact CZ-CD2 4.41Å; F189-Y193 WeakPolarHBondContact O-CD2 3.46Å; F189-Y193 PolarHBondContact O-N 2.88Å
190	L	97.2	Very high	83.6	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.183	41%	0.407	C	S	.	.	H	α-helix	trans	-63.8	-43.5	178.7	-70	176.2	0	0	0	111.1	L101 F109 L186 H188 T192 Y193 T194	L101-L190 HydrophobicContact CD1-CD2 4.27Å; L101-L190 HydrophobicContact CG-CD2 4.45Å; F109-L190 HydrophobicContact CD2-CD2 4.25Å; L186-L190 HydrophobicContact CD1-CD1 4.14Å; L186-L190 HydrophobicContact CD1-CG 4.31Å; L186-L190 HydrophobicContact CG-CD1 4.05Å; L186-L190 HydrophobicContact CG-CG 4.48Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.03Å; H188-L190 PolarHBondContact O-N 3.07Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.49Å; L190-Y193 PolarHBondContact O-N 3.21Å; L190-T194 HydrophobicContact CB-CG2 4.44Å; L190-T194 HydrophobicContact CD2-CG2 4.07Å; L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 WeakPolarHBondContact O-CG2 3.3Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 3.07Å
191	L	95.4	Very high	81.1	Confident	126 Å²	126	69.1 Å²	69.1	66%	0.66	43%	0.428	S	S	*	.	H	α-helix	trans	-58.7	-43.9	176.2	-179.3	64	0	0	0	112.1	D187 H188 F189	D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.08Å; D187-L191 PolarHBondContact O-N 3Å; H188-L191 PolarHBondContact O-N 3.13Å; F189-L191 PolarHBondContact O-N 2.76Å
192	T	95.4	Very high	78.2	Confident	76 Å²	76	72.9 Å²	72.9	47%	0.466	45%	0.448	S	S	.	.	H	α-helix	trans	-68.9	-44.4	-178.4	-62.2	0	0	0	0	112.3	H188 F189 L190	H188-T192 WeakPolarHBondContact O-CB 3.11Å; H188-T192 PolarHBondContact O-N 3.37Å; H188-T192 PolarHBondContact O-OG1 2.9Å; F189-T192 PolarHBondContact O-N 3.32Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.49Å
193	Y	95.7	Very high	74.9	Confident	31 Å²	31	74.8 Å²	74.8	12%	0.122	47%	0.465	C	S	.	.	H	α-helix	trans	-106.3	-11.5	-165.5	-67.5	-74.4	0	0	0	115.4	L78 V80 S86 L101 V125 Y184 F189 L190	L78-Y193 HydrophobicContact CD2-CD1 3.77Å; L78-Y193 HydrophobicContact CD2-CD2 4.39Å; L78-Y193 HydrophobicContact CD2-CE1 4.22Å; L78-Y193 HydrophobicContact CD2-CG 3.86Å; V80-Y193 HydrophobicContact CG2-CD1 3.62Å; V80-Y193 HydrophobicContact CG2-CE1 3.91Å; S86-Y193 WeakPolarHBondContact CB-O 3.11Å; S86-Y193 PolarHBondContact OG-O 3.17Å; L101-Y193 VanDerWaalsContact CD2-C 3.49Å; L101-Y193 WeakPolarHBondContact CD2-O 3.37Å; V125-Y193 HydrophobicContact CG1-CE2 4.33Å; V125-Y193 HydrophobicContact CG2-CE2 4.11Å; Y184-Y193 HydrophobicContact CE2-CE2 4.23Å; F189-Y193 AromaticContact CD2-CD2 3.44Å; F189-Y193 HydrophobicContact CD2-CD2 3.44Å; F189-Y193 VanDerWaalsContact CD2-CD2 3.44Å; F189-Y193 AromaticContact CD2-CE2 3.81Å; F189-Y193 HydrophobicContact CD2-CE2 3.81Å; F189-Y193 HydrophobicContact CD2-CG 4.48Å; F189-Y193 AromaticContact CE2-CD2 3.56Å; F189-Y193 HydrophobicContact CE2-CD2 3.56Å; F189-Y193 HydrophobicContact CE2-CE2 4.02Å; F189-Y193 HydrophobicContact CE2-CG 4.24Å; F189-Y193 HydrophobicContact CG-CD2 4.21Å; F189-Y193 HydrophobicContact CZ-CD2 4.41Å; F189-Y193 WeakPolarHBondContact O-CD2 3.46Å; F189-Y193 PolarHBondContact O-N 2.88Å; L190-Y193 PolarHBondContact O-N 3.21Å
194	T	89.9	Confident	72.4	Confident	30 Å²	30	83.1 Å²	83.1	18%	0.184	52%	0.519	C	S	.	.	S	Bend	trans	-80.2	-16.3	176.4	56.8	0	0	0	0	113.9	L101 L190	L101-T194 HydrophobicContact CB-CG2 4.44Å; L101-T194 HydrophobicContact CD2-CG2 3.73Å; L101-T194 HydrophobicContact CG-CG2 3.73Å; L190-T194 HydrophobicContact CB-CG2 4.44Å; L190-T194 HydrophobicContact CD2-CG2 4.07Å; L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.44Å; L190-T194 WeakPolarHBondContact O-CG2 3.3Å; L190-T194 PolarHBondContact O-N 2.95Å; L190-T194 PolarHBondContact O-OG1 3.07Å
195	G	67.2	Low	71.1	Confident	37 Å²	37	84.6 Å²	84.6	38%	0.381	54%	0.535	S	S	.	.			trans	65.5	122.4	177	0	0	0	0	0	113.5
196	N	54.7	Low	69.7	Low	123 Å²	123	86.3 Å²	86.3	66%	0.658	54%	0.544	S	S	*	.			trans	-77.8	126.1	160	-86.7	-25.7	0	0	0	108.2	S198	N196-S198 PolarHBondContact O-N 3.38Å
197	P	51.1	Low	68.1	Low	115 Å²	115	90.9 Å²	90.9	75%	0.747	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-66.1	3.8	175.8	24.5	-31.6	0	0	0	114.3
198	S	44	Very low	66.4	Low	89 Å²	89	91.5 Å²	91.5	62%	0.622	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-100.8	6.1	-162	8.3	0	0	0	0	117.3	N196	N196-S198 PolarHBondContact O-N 3.38Å
199	T	41.3	Very low	64.5	Low	141 Å²	141	89.8 Å²	89.8	87%	0.865	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-99.7	10.7	174.1	54.6	0	0	0	0	114.1
200	A	42.9	Very low	62.2	Low	91 Å²	91	95.7 Å²	95.7	75%	0.752	62%	0.622	S	S	*	*	S	Bend	trans	-104.3	48.3	174.9	0	0	0	0	0	112.3
201	S	44	Very low	59.7	Low	104 Å²	104	100.1 Å²	100.1	73%	0.727	65%	0.653	S	S	*	*			trans	-178.5	95.9	155.5	58.5	0	0	0	0	111.1
202	S	37.7	Very low	57	Low	118 Å²	118	98.1 Å²	98.1	83%	0.825	65%	0.653	S	S	*	*			trans	-179.5	96.6	138	44.4	0	0	0	0	109.7
203	S	30.4	Very low	53.8	Low	116 Å²	116	99.9 Å²	99.9	81%	0.811	67%	0.668	S	S	*	*			trans	-129.8	133.3	145.4	-63.4	0	0	0	0	106
204	P	46.4	Very low	49.9	Very low	204 Å²	204	106.2 Å²	106.2	100%	1.325	72%	0.718	S	S	*	*			trans	-65	0	179	28.7	-33.5	0	0	0	112.1

Retrieved 204 of 204 residues in 125.5 ms (Link to these results)

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