A0A087X329_POEFO Loading...

Adenylate kinase isoenzyme 6

Broad-specificity nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Has also ATPase activity. Involved in the late cytoplasmic maturation steps of the 40S ribosomal particles, specifically 18S rRNA maturation. While NMP activity is not required for ribosome maturation, ATPase activity is. Associates transiently with small ribosomal subunit protein uS11. ATP hydrolysis breaks the interaction with uS11. May temporarily remove uS11 from the ribosome to enable a conformational change of the ribosomal RNA that is needed for the final maturation step of the small ribosomal subunit. Its NMP activity may have a role in nuclear energy homeostasis. May be involved in regulation of Cajal body (CB) formation.

AlphaFold DB , UniProt , Accession A0A087X329, Species POEFO (Poecilia formosa, Amazon molly), Gene AK6, Length 173 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.6	Low	92.1	Very high	244 Å²	244	65.3 Å²	65.3	100%	1.202	33%	0.326	S	S	*	.				0	145.1	0	-67.6	178.2	-169.1	0	0	106.6
2	M	79.3	Confident	92.7	Very high	184 Å²	184	59.9 Å²	59.9	91%	0.906	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-67.5	139	172.2	-72.6	179.8	-179.7	0	0	108.8	K4	M2-K4 PolarHBondContact O-N 2.71Å
3	T	88	Confident	93.1	Very high	91 Å²	91	55.4 Å²	55.4	56%	0.558	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-63.2	127.2	176.3	-52.2	0	0	0	0	109.2	L5 I169 N173	T3-L5 HydrophobicContact CG2-CD2 4.45Å; T3-I169 HydrophobicContact CG2-CG2 4.01Å; T3-N173 VanDerWaalsContact CA-OD1 3.32Å; T3-N173 WeakPolarHBondContact CA-OD1 3.13Å
4	K	95.6	Very high	93.4	Very high	133 Å²	133	53.3 Å²	53.3	58%	0.578	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-73	135.9	172.1	-67	-176.6	178	-178.7	0	109.9	M2 W168 N173	M2-K4 PolarHBondContact O-N 2.71Å; K4-W168 HydrophobicContact CB-CH2 4.25Å; K4-W168 HydrophobicContact CB-CZ3 4.2Å; K4-N173 PolarHBondContact N-OD1 3.33Å; K4-N173 PolarHBondContact O-ND2 3.18Å
5	L	98.2	Very high	93.7	Very high	63 Å²	63	50 Å²	50	33%	0.33	25%	0.254	S	S	.	.			trans	-123.1	144.6	178.2	-62.4	176.3	0	0	0	110.4	T3 L31 G75 W168 I169	T3-L5 HydrophobicContact CG2-CD2 4.45Å; L5-L31 HydrophobicContact CB-CD2 4.17Å; L5-L31 HydrophobicContact CD1-CD2 4.21Å; L5-L31 HydrophobicContact CD2-CD2 4.45Å; L5-G75 VanDerWaalsContact CB-CA 3.41Å; L5-G75 PolarHBondContact O-N 2.89Å; L5-W168 VanDerWaalsContact C-CZ3 3.4Å; L5-I169 HydrophobicContact CD2-CD1 3.59Å; L5-I169 HydrophobicContact CD2-CG1 3.99Å
6	P	98.6	Very high	94	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.			trans	-79.9	145.7	-178.3	29.8	-29.8	0	0	0	111.6	G75 H92 W164 T165 W168	P6-G75 VanDerWaalsContact O-CA 3.27Å; P6-G75 WeakPolarHBondContact O-CA 3.39Å; P6-G75 PolarHBondContact O-N 2.87Å; P6-H92 HydrophobicContact CB-CB 4.44Å; P6-W164 HydrophobicContact CB-CH2 3.76Å; P6-W164 HydrophobicContact CB-CZ3 3.78Å; P6-W164 HydrophobicContact CG-CH2 4.31Å; P6-W164 HydrophobicContact CG-CZ3 3.86Å; P6-T165 HydrophobicContact CG-CG2 4.03Å; P6-W168 HydrophobicContact CB-CD2 3.61Å; P6-W168 HydrophobicContact CB-CE3 3.68Å; P6-W168 HydrophobicContact CB-CG 4.06Å; P6-W168 HydrophobicContact CB-CH2 4.33Å; P6-W168 HydrophobicContact CB-CZ2 4.28Å; P6-W168 HydrophobicContact CB-CZ3 4.05Å; P6-W168 VanDerWaalsContact CD-CE3 3.44Å; P6-W168 HydrophobicContact CG-CB 4.49Å; P6-W168 HydrophobicContact CG-CD2 4.01Å; P6-W168 HydrophobicContact CG-CE3 3.76Å; P6-W168 HydrophobicContact CG-CG 4.33Å; P6-W168 HydrophobicContact CG-CZ3 4.32Å; P6-W168 VanDerWaalsContact N-CZ3 3.35Å
7	N	98.9	Very high	94.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.232	C	C	.	.			trans	-89.9	137.9	160.5	-62.6	-27.6	0	0	0	111.6	M71 G74 G75 V76 W90 F91 H92	N7-M71 HydrophobicContact CB-CE 3.82Å; N7-M71 PolarHBondContact ND2-O 2.81Å; N7-G74 VanDerWaalsContact OD1-C 3.3Å; N7-G74 VanDerWaalsContact OD1-CA 3.25Å; N7-G74 WeakPolarHBondContact OD1-CA 3.44Å; N7-G75 PolarHBondContact OD1-N 2.79Å; N7-V76 CarbonylContact C-O 3.54Å; N7-V76 WeakPolarHBondContact CA-O 3.42Å; N7-V76 PolarHBondContact OD1-N 3.36Å; N7-W90 WeakPolarHBondContact CB-O 3.39Å; N7-W90 PolarHBondContact ND2-O 3.12Å; N7-F91 HydrophobicContact CB-CD1 4.27Å; N7-H92 PolarHBondContact N-ND1 3.09Å; N7-H92 PolarHBondContact O-N 2.84Å; N7-H92 PolarHBondContact O-ND1 2.87Å
8	I	98.9	Very high	94.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.6	-176.6	-58.3	175.4	0	0	0	108.5	L10 L25 L31 V76 I77 I78 I93 F95 W164	I8-L10 HydrophobicContact CG2-CD2 3.99Å; I8-L10 HydrophobicContact CG2-CG 4.49Å; I8-L25 HydrophobicContact CD1-CD2 4.05Å; I8-L31 HydrophobicContact CD1-CD1 4.01Å; I8-V76 PolarHBondContact N-O 3.2Å; I8-I77 HydrophobicContact CB-CG1 4.37Å; I8-I77 HydrophobicContact CD1-CG1 4.47Å; I8-I77 WeakPolarHBondContact O-CA 3.4Å; I8-I78 PolarHBondContact O-N 3.34Å; I8-I93 HydrophobicContact CB-CG2 4.24Å; I8-I93 HydrophobicContact CG1-CG2 3.85Å; I8-I93 HydrophobicContact CG2-CG2 4Å; I8-F95 HydrophobicContact CG2-CD2 3.85Å; I8-F95 HydrophobicContact CG2-CE2 4.08Å; I8-W164 HydrophobicContact CD1-CE3 4.26Å; I8-W164 HydrophobicContact CD1-CZ3 3.88Å; I8-W164 HydrophobicContact CG1-CZ3 3.84Å
9	L	98.9	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.1	168.1	177.4	58.9	0	0	0	110	I78 C83 F86 F91 I93 V94 F95 Y138	L9-I78 HydrophobicContact CD1-CB 4.03Å; L9-I78 HydrophobicContact CD1-CG2 3.75Å; L9-C83 HydrophobicContact CD2-CB 3.61Å; L9-F86 HydrophobicContact CD1-CD2 4.45Å; L9-F86 HydrophobicContact CD1-CE2 4.22Å; L9-F91 HydrophobicContact CB-CD1 3.63Å; L9-F91 HydrophobicContact CB-CD2 4.11Å; L9-F91 HydrophobicContact CB-CE1 3.72Å; L9-F91 HydrophobicContact CB-CE2 4.18Å; L9-F91 HydrophobicContact CB-CG 3.82Å; L9-F91 HydrophobicContact CB-CZ 4.01Å; L9-F91 HydrophobicContact CD1-CE1 4.36Å; L9-F91 HydrophobicContact CD1-CE2 4.49Å; L9-F91 HydrophobicContact CD1-CZ 4.05Å; L9-F91 HydrophobicContact CD2-CD2 4.19Å; L9-F91 HydrophobicContact CD2-CE2 3.99Å; L9-F91 HydrophobicContact CD2-CZ 4.35Å; L9-F91 HydrophobicContact CG-CE2 4.46Å; L9-F91 HydrophobicContact CG-CZ 4.36Å; L9-I93 PolarHBondContact N-O 2.75Å; L9-V94 HydrophobicContact CB-CB 4.4Å; L9-V94 HydrophobicContact CB-CG1 4.21Å; L9-V94 HydrophobicContact CB-CG2 4.09Å; L9-V94 HydrophobicContact CD2-CG1 3.79Å; L9-V94 HydrophobicContact CD2-CG2 4.16Å; L9-V94 HydrophobicContact CG-CG1 4.11Å; L9-F95 PolarHBondContact O-N 2.9Å; L9-Y138 HydrophobicContact CD2-CE2 3.98Å
10	L	98.9	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.9	165.3	-55.7	-176.6	0	0	0	107.9	I8 K18 L21 G22 I77 I78 Y80 F95 L97 L161	I8-L10 HydrophobicContact CG2-CD2 3.99Å; I8-L10 HydrophobicContact CG2-CG 4.49Å; L10-K18 HydrophobicContact CB-CB 4.47Å; L10-K18 WeakPolarHBondContact O-CD 3.46Å; L10-L21 HydrophobicContact CD1-CB 4.42Å; L10-L21 HydrophobicContact CD1-CD2 4.32Å; L10-L21 HydrophobicContact CD1-CG 4.21Å; L10-L21 HydrophobicContact CD2-CD2 4.28Å; L10-G22 VanDerWaalsContact CD1-CA 3.44Å; L10-I77 HydrophobicContact CD1-CG2 3.81Å; L10-I77 HydrophobicContact CG-CG2 3.98Å; L10-I78 PolarHBondContact N-O 2.82Å; L10-Y80 PolarHBondContact O-N 3.41Å; L10-F95 HydrophobicContact CD2-CB 3.89Å; L10-F95 HydrophobicContact CD2-CD2 4Å; L10-F95 HydrophobicContact CD2-CG 4.38Å; L10-L97 HydrophobicContact CD2-CD1 4.42Å; L10-L161 HydrophobicContact CD2-CD2 4.03Å
11	T	98.8	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	176.5	178	-165.9	0	0	0	0	112.1	Y80 H81 V94 F95 V96 L97 I130 A134	T11-Y80 VanDerWaalsContact CA-O 3.3Å; T11-Y80 WeakPolarHBondContact CA-O 3.47Å; T11-Y80 PolarHBondContact OG1-O 2.85Å; T11-H81 PolarHBondContact OG1-O 2.83Å; T11-H81 VanDerWaalsContact OG1-O 3.1Å; T11-V94 HydrophobicContact CG2-CG1 4.22Å; T11-F95 PolarHBondContact N-O 2.96Å; T11-V96 HydrophobicContact CG2-CB 4.33Å; T11-V96 HydrophobicContact CG2-CG1 4.37Å; T11-V96 HydrophobicContact CG2-CG2 3.79Å; T11-V96 WeakPolarHBondContact O-CA 3.48Å; T11-L97 PolarHBondContact O-N 3.43Å; T11-I130 HydrophobicContact CG2-CG2 4.04Å; T11-I130 VanDerWaalsContact OG1-CG2 3.27Å; T11-I130 WeakPolarHBondContact OG1-CG2 3.44Å; T11-A134 HydrophobicContact CG2-CB 4.41Å
12	G	98.5	Very high	96.9	Very high	1 Å²	1	31 Å²	31	1%	0.01	17%	0.168	C	C	.	.			trans	131.9	169.8	-176.3	0	0	0	0	0	112.1	K18	G12-K18 PolarHBondContact O-NZ 3.24Å
13	T	98.4	Very high	97.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.145	C	C	.	.	S	Bend	trans	-54.8	145.4	-177.1	-49.2	0	0	0	0	112	G15 V16 K18 L104 N121 C124 E125	T13-G15 PolarHBondContact O-N 3Å; T13-V16 VanDerWaalsContact O-CG1 3.3Å; T13-V16 WeakPolarHBondContact O-CG1 3.28Å; T13-V16 WeakPolarHBondContact O-CG2 3.44Å; T13-V16 PolarHBondContact O-N 3.41Å; T13-K18 PolarHBondContact O-NZ 3.18Å; T13-L104 HydrophobicContact CG2-CD2 4.04Å; T13-N121 HydrophobicContact CG2-CB 4.45Å; T13-N121 VanDerWaalsContact CG2-O 3.22Å; T13-N121 WeakPolarHBondContact CG2-O 3.2Å; T13-C124 HydrophobicContact CG2-CB 4.23Å; T13-E125 VanDerWaalsContact CB-OE2 3.27Å; T13-E125 WeakPolarHBondContact CB-OE2 3.39Å; T13-E125 HydrophobicContact CG2-CB 4.21Å; T13-E125 PolarHBondContact OG1-OE2 3.12Å
14	P	97.7	Very high	98.4	Very high	26 Å²	26	26.2 Å²	26.2	17%	0.169	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	133.4	169.5	-29.8	38.1	0	0	0	111.7	H81 L104 L108 N121	P14-H81 HydrophobicContact CG-CB 4.14Å; P14-L104 WeakPolarHBondContact O-CD1 3.29Å; P14-L108 WeakPolarHBondContact O-CD2 3.31Å; P14-N121 WeakPolarHBondContact CB-OD1 3.45Å; P14-N121 VanDerWaalsContact CD-OD1 3.32Å; P14-N121 WeakPolarHBondContact CD-OD1 3.46Å; P14-N121 WeakPolarHBondContact CG-OD1 3.38Å
15	G	97.4	Very high	98.5	Very high	4 Å²	4	19.9 Å²	19.9	4%	0.041	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-11.9	-179.4	0	0	0	0	0	116.2	T13 G17 L104 R107	T13-G15 PolarHBondContact O-N 3Å; G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 2.88Å; G15-L104 VanDerWaalsContact C-CD1 3.46Å; G15-R107 WeakPolarHBondContact O-CD 3.22Å; G15-R107 PolarHBondContact O-NH1 3.4Å
16	V	98.4	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-70.7	-22.7	-177.1	-61	0	0	0	0	114.7	T13 K18 L97 T99 L104 R107 S148	T13-V16 VanDerWaalsContact O-CG1 3.3Å; T13-V16 WeakPolarHBondContact O-CG1 3.28Å; T13-V16 WeakPolarHBondContact O-CG2 3.44Å; T13-V16 PolarHBondContact O-N 3.41Å; V16-K18 HydrophobicContact CG2-CG 3.8Å; V16-L97 HydrophobicContact CB-CB 4.01Å; V16-L97 HydrophobicContact CG2-CB 3.49Å; V16-L97 VanDerWaalsContact CG2-CB 3.49Å; V16-L97 HydrophobicContact CG2-CD2 4.44Å; V16-T99 WeakPolarHBondContact CA-OG1 3.32Å; V16-T99 WeakPolarHBondContact CB-OG1 3.22Å; V16-T99 PolarHBondContact O-OG1 3.16Å; V16-L104 HydrophobicContact CG1-CD1 4.1Å; V16-R107 PolarHBondContact O-NH1 3.48Å; V16-R107 VanDerWaalsContact O-NH1 3.1Å; V16-S148 VanDerWaalsContact O-CB 3.24Å; V16-S148 WeakPolarHBondContact O-CB 3.45Å; V16-S148 PolarHBondContact O-OG 3.04Å
17	G	98.2	Very high	98.5	Very high	13 Å²	13	21.8 Å²	21.8	13%	0.134	13%	0.133	C	C	.	.	S	Bend	trans	121.6	8.1	174.9	0	0	0	0	0	116.6	G15 T19 T20 L21	G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 2.88Å; G17-T19 PolarHBondContact O-N 2.93Å; G17-T20 PolarHBondContact O-N 3.22Å; G17-T20 VanDerWaalsContact O-N 3.13Å; G17-L21 PolarHBondContact O-N 3.31Å; G17-L21 VanDerWaalsContact O-N 3.08Å
18	K	98.7	Very high	98.5	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-47.8	-54.2	-177.6	-56.1	-175.7	-66.8	-81.4	0	114	L10 G12 T13 V16 T20 L21 G22 D79 Y80 L97	L10-K18 HydrophobicContact CB-CB 4.47Å; L10-K18 WeakPolarHBondContact O-CD 3.46Å; G12-K18 PolarHBondContact O-NZ 3.24Å; T13-K18 PolarHBondContact O-NZ 3.18Å; V16-K18 HydrophobicContact CG2-CG 3.8Å; K18-T20 VanDerWaalsContact C-N 3.31Å; K18-T20 PolarHBondContact O-N 2.97Å; K18-L21 PolarHBondContact O-N 3.42Å; K18-G22 PolarHBondContact O-N 2.88Å; K18-D79 WeakPolarHBondContact CB-OD1 3.44Å; K18-D79 WeakPolarHBondContact CD-OD1 3.2Å; K18-D79 WeakPolarHBondContact CE-OD1 3.42Å; K18-Y80 WeakPolarHBondContact CD-O 3.41Å; K18-Y80 VanDerWaalsContact CE-O 3.22Å; K18-Y80 WeakPolarHBondContact CE-O 3.4Å; K18-L97 HydrophobicContact CG-CD2 4.39Å
19	T	98.6	Very high	98.5	Very high	48 Å²	48	29.9 Å²	29.9	29%	0.294	17%	0.174	S	C	.	.	H	α-helix	trans	-58.8	-40.6	-178.6	-51.8	0	0	0	0	112.6	G17 K23 Y33 D79	G17-T19 PolarHBondContact O-N 2.93Å; T19-K23 HydrophobicContact CG2-CD 4.09Å; T19-K23 WeakPolarHBondContact O-CB 3.32Å; T19-K23 VanDerWaalsContact O-CG 3.31Å; T19-K23 WeakPolarHBondContact O-CG 3.32Å; T19-K23 PolarHBondContact O-N 3.42Å; T19-K23 VanDerWaalsContact O-N 3.1Å; T19-Y33 WeakPolarHBondContact CA-OH 3.47Å; T19-Y33 WeakPolarHBondContact CG2-OH 3.46Å; T19-D79 WeakPolarHBondContact CA-OD2 3.13Å; T19-D79 WeakPolarHBondContact CB-OD2 3.39Å; T19-D79 PolarHBondContact N-OD2 3.06Å; T19-D79 PolarHBondContact OG1-OD2 3.2Å
20	T	98.5	Very high	98.4	Very high	69 Å²	69	33 Å²	33	42%	0.423	21%	0.206	S	C	.	.	H	α-helix	trans	-66.1	-52.7	178.5	-55.7	0	0	0	0	110.3	G17 K18 G22 K23 E24 L154	G17-T20 PolarHBondContact O-N 3.22Å; G17-T20 VanDerWaalsContact O-N 3.13Å; K18-T20 VanDerWaalsContact C-N 3.31Å; K18-T20 PolarHBondContact O-N 2.97Å; T20-G22 PolarHBondContact O-N 2.99Å; T20-K23 PolarHBondContact O-N 3.21Å; T20-E24 WeakPolarHBondContact O-CG 3.03Å; T20-E24 PolarHBondContact O-N 2.95Å; T20-E24 VanDerWaalsContact O-N 3.14Å; T20-L154 HydrophobicContact CG2-CD1 4.45Å; T20-L154 HydrophobicContact CG2-CD2 3.83Å
21	L	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-45.2	179.3	178	63.4	0	0	0	111.8	L10 G17 K18 E24 L25 L97 L146 L154 N157 L158 L161	L10-L21 HydrophobicContact CD1-CB 4.42Å; L10-L21 HydrophobicContact CD1-CD2 4.32Å; L10-L21 HydrophobicContact CD1-CG 4.21Å; L10-L21 HydrophobicContact CD2-CD2 4.28Å; G17-L21 PolarHBondContact O-N 3.31Å; G17-L21 VanDerWaalsContact O-N 3.08Å; K18-L21 PolarHBondContact O-N 3.42Å; L21-E24 PolarHBondContact O-N 3.06Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 PolarHBondContact O-N 3.26Å; L21-L97 HydrophobicContact CB-CD2 4.43Å; L21-L97 HydrophobicContact CD2-CD1 4.07Å; L21-L97 HydrophobicContact CD2-CD2 4Å; L21-L97 HydrophobicContact CD2-CG 4.36Å; L21-L146 HydrophobicContact CD2-CD1 4.15Å; L21-L154 HydrophobicContact CB-CD1 4.03Å; L21-L154 HydrophobicContact CD1-CD1 3.84Å; L21-N157 HydrophobicContact CD1-CB 4.02Å; L21-N157 HydrophobicContact CD2-CB 4.3Å; L21-L158 HydrophobicContact CD1-CB 4.34Å; L21-L161 HydrophobicContact CD2-CD2 4.18Å
22	G	98.8	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-42.6	-177.4	0	0	0	0	0	113.3	L10 K18 T20 A26	L10-G22 VanDerWaalsContact CD1-CA 3.44Å; K18-G22 PolarHBondContact O-N 2.88Å; T20-G22 PolarHBondContact O-N 2.99Å; G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.3Å
23	K	98.7	Very high	98.4	Very high	97 Å²	97	38.6 Å²	38.6	42%	0.422	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-42.3	176.7	-73.2	-179.5	179.5	178.8	0	111.8	T19 T20 A27 Y33 E38	T19-K23 HydrophobicContact CG2-CD 4.09Å; T19-K23 WeakPolarHBondContact O-CB 3.32Å; T19-K23 VanDerWaalsContact O-CG 3.31Å; T19-K23 WeakPolarHBondContact O-CG 3.32Å; T19-K23 PolarHBondContact O-N 3.42Å; T19-K23 VanDerWaalsContact O-N 3.1Å; T20-K23 PolarHBondContact O-N 3.21Å; K23-A27 PolarHBondContact O-N 3.42Å; K23-A27 VanDerWaalsContact O-N 3.1Å; K23-Y33 HydrophobicContact CD-CE1 4.29Å; K23-Y33 VanDerWaalsContact CE-CE1 3.48Å; K23-Y33 HydrophobicContact CG-CD1 3.91Å; K23-Y33 HydrophobicContact CG-CD2 4.39Å; K23-Y33 HydrophobicContact CG-CE1 3.73Å; K23-Y33 HydrophobicContact CG-CE2 4.2Å; K23-Y33 HydrophobicContact CG-CG 4.23Å; K23-E38 IonicContact NZ-OE1 3.73Å
24	E	98.6	Very high	98.4	Very high	77 Å²	77	39.2 Å²	39.2	36%	0.36	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-42.3	176.8	-72.6	-178.3	-163.5	0	0	112.2	T20 L21 A26 A27 Q28 L158	T20-E24 WeakPolarHBondContact O-CG 3.03Å; T20-E24 PolarHBondContact O-N 2.95Å; T20-E24 VanDerWaalsContact O-N 3.14Å; L21-E24 PolarHBondContact O-N 3.06Å; E24-A26 PolarHBondContact O-N 2.79Å; E24-A27 PolarHBondContact O-N 3.48Å; E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.43Å; E24-Q28 PolarHBondContact O-N 2.91Å; E24-Q28 VanDerWaalsContact O-N 3.11Å; E24-L158 HydrophobicContact CB-CD1 4.15Å; E24-L158 HydrophobicContact CB-CD2 4.34Å
25	L	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-45.6	176.7	-178.1	64.4	0	0	0	111.5	I8 L21 A27 Q28 T29 I77 L158 L161 I162	I8-L25 HydrophobicContact CD1-CD2 4.05Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 PolarHBondContact O-N 3.26Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 3.26Å; L25-Q28 PolarHBondContact O-N 3.47Å; L25-T29 HydrophobicContact CD1-CG2 3.67Å; L25-T29 HydrophobicContact CG-CG2 4.28Å; L25-T29 WeakPolarHBondContact O-CB 3.25Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.02Å; L25-T29 PolarHBondContact O-OG1 3.44Å; L25-I77 HydrophobicContact CB-CD1 4.07Å; L25-I77 HydrophobicContact CD2-CD1 3.75Å; L25-I77 HydrophobicContact CD2-CG1 4.25Å; L25-I77 HydrophobicContact CG-CD1 3.75Å; L25-L158 HydrophobicContact CB-CD1 4Å; L25-L158 HydrophobicContact CD1-CD1 4.13Å; L25-L161 HydrophobicContact CD1-CB 3.76Å; L25-L161 HydrophobicContact CD2-CB 4.01Å; L25-L161 HydrophobicContact CD2-CD2 3.71Å; L25-L161 HydrophobicContact CD2-CG 4.41Å; L25-I162 HydrophobicContact CD1-CG1 3.84Å
26	A	98.7	Very high	98.5	Very high	15 Å²	15	39 Å²	39	12%	0.124	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-43	175.6	0	0	0	0	0	112.3	G22 E24 Q28 T29 G30 L31 I77	G22-A26 WeakPolarHBondContact O-CB 3.35Å; G22-A26 PolarHBondContact O-N 3.3Å; E24-A26 PolarHBondContact O-N 2.79Å; A26-Q28 VanDerWaalsContact C-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.42Å; A26-T29 PolarHBondContact O-N 3.1Å; A26-G30 WeakPolarHBondContact O-CA 3.15Å; A26-G30 PolarHBondContact O-N 3.36Å; A26-L31 VanDerWaalsContact CB-O 3.3Å; A26-L31 WeakPolarHBondContact CB-O 3.42Å; A26-I77 HydrophobicContact CB-CD1 3.98Å
27	A	98.5	Very high	98.3	Very high	89 Å²	89	40.5 Å²	40.5	74%	0.736	25%	0.252	S	S	*	.	H	α-helix	trans	-62.1	-34.4	178.2	0	0	0	0	0	112.9	K23 E24 L25	K23-A27 PolarHBondContact O-N 3.42Å; K23-A27 VanDerWaalsContact O-N 3.1Å; E24-A27 PolarHBondContact O-N 3.48Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 3.26Å
28	Q	98.1	Very high	98.2	Very high	131 Å²	131	44.2 Å²	44.2	61%	0.612	27%	0.265	S	S	*	.	H	α-helix	trans	-84.9	-31.7	-178.5	-65.6	-77.6	17.3	0	0	113.4	E24 L25 A26 L158 I162	E24-Q28 VanDerWaalsContact O-CG 3.31Å; E24-Q28 WeakPolarHBondContact O-CG 3.43Å; E24-Q28 PolarHBondContact O-N 2.91Å; E24-Q28 VanDerWaalsContact O-N 3.11Å; L25-Q28 PolarHBondContact O-N 3.47Å; A26-Q28 VanDerWaalsContact C-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.42Å; Q28-L158 HydrophobicContact CG-CD1 4.46Å; Q28-L158 HydrophobicContact CG-CD2 4.38Å; Q28-I162 HydrophobicContact CB-CD1 3.65Å; Q28-I162 HydrophobicContact CB-CG1 4.18Å; Q28-I162 HydrophobicContact CG-CD1 3.97Å
29	T	97.9	Very high	98.1	Very high	41 Å²	41	45 Å²	45	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-101.7	-20.4	-173.3	58.1	0	0	0	0	113.6	L25 A26 L31 I162 T165	L25-T29 HydrophobicContact CD1-CG2 3.67Å; L25-T29 HydrophobicContact CG-CG2 4.28Å; L25-T29 WeakPolarHBondContact O-CB 3.25Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.02Å; L25-T29 PolarHBondContact O-OG1 3.44Å; A26-T29 PolarHBondContact O-N 3.1Å; T29-L31 PolarHBondContact O-N 2.86Å; T29-L31 WeakPolarHBondContact OG1-CG 3.31Å; T29-L31 PolarHBondContact OG1-N 3Å; T29-I162 HydrophobicContact CG2-CG1 3.99Å; T29-T165 HydrophobicContact CG2-CG2 4.24Å
30	G	97.9	Very high	97.9	Very high	65 Å²	65	42.7 Å²	42.7	67%	0.67	26%	0.256	S	S	*	.			trans	76.6	5.8	-171.8	0	0	0	0	0	114.3	A26	A26-G30 WeakPolarHBondContact O-CA 3.15Å; A26-G30 PolarHBondContact O-N 3.36Å
31	L	98.5	Very high	97.7	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.052	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.1	154.3	171.9	-60.1	-172.6	0	0	0	111	L5 I8 A26 T29 Y33 G75 I77 T165	L5-L31 HydrophobicContact CB-CD2 4.17Å; L5-L31 HydrophobicContact CD1-CD2 4.21Å; L5-L31 HydrophobicContact CD2-CD2 4.45Å; I8-L31 HydrophobicContact CD1-CD1 4.01Å; A26-L31 VanDerWaalsContact CB-O 3.3Å; A26-L31 WeakPolarHBondContact CB-O 3.42Å; T29-L31 PolarHBondContact O-N 2.86Å; T29-L31 WeakPolarHBondContact OG1-CG 3.31Å; T29-L31 PolarHBondContact OG1-N 3Å; L31-Y33 PolarHBondContact O-N 2.78Å; L31-G75 WeakPolarHBondContact CA-O 3.45Å; L31-G75 WeakPolarHBondContact CB-O 3.39Å; L31-I77 HydrophobicContact CB-CD1 3.74Å; L31-I77 HydrophobicContact CB-CG1 4Å; L31-I77 HydrophobicContact CD1-CD1 4.14Å; L31-I77 HydrophobicContact CD1-CG1 4Å; L31-T165 HydrophobicContact CD1-CG2 4Å
32	T	98.6	Very high	97.4	Very high	70 Å²	70	53.3 Å²	53.3	43%	0.429	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.1	179	-61.2	0	0	0	0	110.3	V34 K70 G75 V76 I77	T32-V34 HydrophobicContact CG2-CG2 4.21Å; T32-K70 HydrophobicContact CG2-CD 4.4Å; T32-G75 PolarHBondContact N-O 2.85Å; T32-V76 CarbonylContact O-C 3.54Å; T32-V76 WeakPolarHBondContact O-CA 3.34Å; T32-I77 PolarHBondContact O-N 3.48Å
33	Y	98.8	Very high	97.1	Very high	40 Å²	40	54.8 Å²	54.8	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.6	172.2	172.8	-94.6	0	0	0	111.6	T19 K23 L31 N35 I77 D79	T19-Y33 WeakPolarHBondContact CA-OH 3.47Å; T19-Y33 WeakPolarHBondContact CG2-OH 3.46Å; K23-Y33 HydrophobicContact CD-CE1 4.29Å; K23-Y33 VanDerWaalsContact CE-CE1 3.48Å; K23-Y33 HydrophobicContact CG-CD1 3.91Å; K23-Y33 HydrophobicContact CG-CD2 4.39Å; K23-Y33 HydrophobicContact CG-CE1 3.73Å; K23-Y33 HydrophobicContact CG-CE2 4.2Å; K23-Y33 HydrophobicContact CG-CG 4.23Å; L31-Y33 PolarHBondContact O-N 2.78Å; Y33-N35 HydrophobicContact CE1-CB 3.89Å; Y33-N35 PolarHBondContact OH-ND2 3.43Å; Y33-I77 HydrophobicContact CD2-CG2 4.33Å; Y33-D79 HydrophobicContact CE2-CB 3.71Å; Y33-D79 PolarHBondContact OH-OD2 3.34Å
34	V	98.6	Very high	96.8	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.6	173.5	-177	0	0	0	0	109.4	T32 I36 L39 L67 K70 V76 I77 I78 D79	T32-V34 HydrophobicContact CG2-CG2 4.21Å; V34-I36 HydrophobicContact CG1-CD1 4.25Å; V34-L39 HydrophobicContact CG1-CB 4.43Å; V34-L39 HydrophobicContact CG1-CD2 4.22Å; V34-L67 HydrophobicContact CG1-CD2 4.12Å; V34-K70 HydrophobicContact CG2-CD 4.47Å; V34-V76 HydrophobicContact CG2-CG1 3.9Å; V34-I77 PolarHBondContact N-O 3.1Å; V34-I78 HydrophobicContact CB-CD1 3.9Å; V34-I78 HydrophobicContact CG1-CD1 4.35Å; V34-I78 HydrophobicContact CG2-CD1 4.44Å; V34-D79 PolarHBondContact O-N 2.88Å
35	N	98.5	Very high	96.6	Very high	25 Å²	25	55.4 Å²	55.4	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.7	166.7	-175.4	-74.7	0	0	0	109.1	Y33 G37 E38 L39 D79	Y33-N35 HydrophobicContact CE1-CB 3.89Å; Y33-N35 PolarHBondContact OH-ND2 3.43Å; N35-G37 VanDerWaalsContact C-N 3.32Å; N35-G37 PolarHBondContact O-N 3.44Å; N35-G37 WeakPolarHBondContact OD1-CA 3.27Å; N35-G37 PolarHBondContact OD1-N 2.78Å; N35-E38 HydrophobicContact CB-CB 4.04Å; N35-E38 HydrophobicContact CB-CG 4.01Å; N35-E38 PolarHBondContact O-N 3.39Å; N35-E38 PolarHBondContact OD1-N 2.84Å; N35-L39 WeakPolarHBondContact O-CB 3.25Å; N35-L39 PolarHBondContact O-N 3.44Å; N35-D79 PolarHBondContact ND2-OD2 2.94Å
36	I	97.9	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-33	-174.8	-60.2	-62.5	0	0	0	112	V34 L39 A40 L58 V63 L67 I78 D79 Y80 F86	V34-I36 HydrophobicContact CG1-CD1 4.25Å; I36-L39 HydrophobicContact CD1-CD2 4.33Å; I36-L39 PolarHBondContact O-N 3.08Å; I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.35Å; I36-A40 PolarHBondContact O-N 2.96Å; I36-L58 HydrophobicContact CG2-CD2 4.29Å; I36-V63 HydrophobicContact CD1-CG1 4.14Å; I36-V63 HydrophobicContact CG2-CG1 3.83Å; I36-V63 HydrophobicContact CG2-CG2 4.44Å; I36-L67 HydrophobicContact CD1-CD1 3.32Å; I36-I78 HydrophobicContact CD1-CD1 4.19Å; I36-I78 HydrophobicContact CD1-CG2 3.94Å; I36-I78 HydrophobicContact CG1-CG2 3.71Å; I36-D79 PolarHBondContact N-O 2.93Å; I36-Y80 HydrophobicContact CB-CD2 3.54Å; I36-Y80 HydrophobicContact CB-CE2 4.25Å; I36-Y80 HydrophobicContact CB-CG 3.75Å; I36-Y80 HydrophobicContact CG1-CD2 4.4Å; I36-Y80 HydrophobicContact CG1-CG 4.14Å; I36-Y80 HydrophobicContact CG2-CD1 4.32Å; I36-Y80 HydrophobicContact CG2-CD2 3.72Å; I36-Y80 HydrophobicContact CG2-CE2 3.97Å; I36-Y80 HydrophobicContact CG2-CG 3.92Å; I36-F86 HydrophobicContact CD1-CE1 4.27Å; I36-F86 HydrophobicContact CD1-CZ 4.23Å; I36-F86 HydrophobicContact CG1-CE1 4.44Å; I36-F86 HydrophobicContact CG1-CZ 3.92Å
37	G	95.1	Very high	95.9	Very high	33 Å²	33	64 Å²	64	34%	0.34	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-42.5	175.5	0	0	0	0	0	112.6	N35 H41	N35-G37 VanDerWaalsContact C-N 3.32Å; N35-G37 PolarHBondContact O-N 3.44Å; N35-G37 WeakPolarHBondContact OD1-CA 3.27Å; N35-G37 PolarHBondContact OD1-N 2.78Å; G37-H41 WeakPolarHBondContact O-CB 3.45Å; G37-H41 PolarHBondContact O-N 3.37Å; G37-H41 VanDerWaalsContact O-N 3.09Å
38	E	95.9	Very high	95.6	Very high	90 Å²	90	62.1 Å²	62.1	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-46	174.2	-67.1	175.1	172.6	0	0	110.6	K23 N35 A40 H41 E42	K23-E38 IonicContact NZ-OE1 3.73Å; N35-E38 HydrophobicContact CB-CB 4.04Å; N35-E38 HydrophobicContact CB-CG 4.01Å; N35-E38 PolarHBondContact O-N 3.39Å; N35-E38 PolarHBondContact OD1-N 2.84Å; E38-A40 PolarHBondContact O-N 3.31Å; E38-H41 WeakPolarHBondContact O-CB 3.21Å; E38-H41 PolarHBondContact O-N 2.99Å; E38-H41 VanDerWaalsContact O-N 3.16Å; E38-E42 WeakPolarHBondContact O-CG 3.42Å; E38-E42 PolarHBondContact O-N 2.98Å
39	L	96.3	Very high	95.2	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-49.1	176.7	179.1	70.6	0	0	0	111.9	V34 N35 I36 H41 E42 G43 Y45 E66 L67	V34-L39 HydrophobicContact CG1-CB 4.43Å; V34-L39 HydrophobicContact CG1-CD2 4.22Å; N35-L39 WeakPolarHBondContact O-CB 3.25Å; N35-L39 PolarHBondContact O-N 3.44Å; I36-L39 HydrophobicContact CD1-CD2 4.33Å; I36-L39 PolarHBondContact O-N 3.08Å; L39-H41 VanDerWaalsContact C-N 3.29Å; L39-H41 PolarHBondContact O-N 3.2Å; L39-E42 PolarHBondContact O-N 3.01Å; L39-G43 PolarHBondContact O-N 3.35Å; L39-Y45 HydrophobicContact CD1-CE2 4.49Å; L39-Y45 HydrophobicContact CG-CE2 4.12Å; L39-E66 HydrophobicContact CD1-CG 4.41Å; L39-L67 HydrophobicContact CD2-CD1 3.83Å; L39-L67 HydrophobicContact CD2-CD2 3.87Å; L39-L67 HydrophobicContact CD2-CG 3.83Å
40	A	94.8	Very high	94.7	Very high	1 Å²	1	62 Å²	62	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-35.4	179.4	0	0	0	0	0	112.4	I36 E38 Q44 Y45 Y46 L58	I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.35Å; I36-A40 PolarHBondContact O-N 2.96Å; E38-A40 PolarHBondContact O-N 3.31Å; A40-Q44 CarbonylContact O-C 3.53Å; A40-Q44 VanDerWaalsContact O-CA 3.28Å; A40-Q44 WeakPolarHBondContact O-CA 3.38Å; A40-Q44 PolarHBondContact O-N 3.19Å; A40-Y45 PolarHBondContact O-N 3.21Å; A40-Y46 HydrophobicContact CB-CE1 4.1Å; A40-L58 HydrophobicContact CB-CD1 3.27Å
41	H	93.3	Very high	94.2	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.616	34%	0.343	S	S	*	.	H	α-helix	trans	-66.1	-47.1	176.1	-173.1	67.5	0	0	0	112.1	G37 E38 L39 Q44 Y46	G37-H41 WeakPolarHBondContact O-CB 3.45Å; G37-H41 PolarHBondContact O-N 3.37Å; G37-H41 VanDerWaalsContact O-N 3.09Å; E38-H41 WeakPolarHBondContact O-CB 3.21Å; E38-H41 PolarHBondContact O-N 2.99Å; E38-H41 VanDerWaalsContact O-N 3.16Å; L39-H41 VanDerWaalsContact C-N 3.29Å; L39-H41 PolarHBondContact O-N 3.2Å; H41-Q44 PolarHBondContact O-N 3.24Å; H41-Y46 WeakPolarHBondContact CA-OH 3.47Å; H41-Y46 WeakPolarHBondContact CB-OH 3.46Å; H41-Y46 PolarHBondContact N-OH 3.28Å
42	E	93.9	Very high	93.4	Very high	159 Å²	159	71.6 Å²	71.6	74%	0.743	37%	0.368	S	S	*	.	H	α-helix	trans	-67.6	-40.8	179.5	-69.7	178.8	179.8	0	0	112.1	E38 L39 Q44	E38-E42 WeakPolarHBondContact O-CG 3.42Å; E38-E42 PolarHBondContact O-N 2.98Å; L39-E42 PolarHBondContact O-N 3.01Å; E42-Q44 VanDerWaalsContact C-N 3.34Å
43	G	90.9	Very high	92.5	Very high	30 Å²	30	72.9 Å²	72.9	31%	0.309	37%	0.366	S	S	.	.	H	α-helix	trans	-81.4	-8.9	178.3	0	0	0	0	0	114.9	L39 Y45	L39-G43 PolarHBondContact O-N 3.35Å; G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 WeakPolarHBondContact O-CD1 3.45Å; G43-Y45 WeakPolarHBondContact O-CE1 3.38Å; G43-Y45 PolarHBondContact O-N 3.25Å
44	Q	93.6	Very high	91.8	Very high	152 Å²	152	78 Å²	78	71%	0.71	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	42.8	-171.7	-51.2	-172.9	-52.9	0	0	112.7	A40 H41 E42 Y46	A40-Q44 CarbonylContact O-C 3.53Å; A40-Q44 VanDerWaalsContact O-CA 3.28Å; A40-Q44 WeakPolarHBondContact O-CA 3.38Å; A40-Q44 PolarHBondContact O-N 3.19Å; H41-Q44 PolarHBondContact O-N 3.24Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-Y46 VanDerWaalsContact C-N 3.25Å; Q44-Y46 PolarHBondContact O-N 3Å
45	Y	93.8	Very high	91.1	Very high	36 Å²	36	79.9 Å²	79.9	14%	0.141	40%	0.404	C	S	.	.			trans	-83	70.4	-179.1	-54.7	-26.1	0	0	0	110.7	L39 A40 G43 D59 R62 V63 E66	L39-Y45 HydrophobicContact CD1-CE2 4.49Å; L39-Y45 HydrophobicContact CG-CE2 4.12Å; A40-Y45 PolarHBondContact O-N 3.21Å; G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 WeakPolarHBondContact O-CD1 3.45Å; G43-Y45 WeakPolarHBondContact O-CE1 3.38Å; G43-Y45 PolarHBondContact O-N 3.25Å; Y45-D59 PolarHBondContact O-N 2.98Å; Y45-R62 HydrophobicContact CD1-CB 4.21Å; Y45-R62 HydrophobicContact CG-CB 4.21Å; Y45-V63 HydrophobicContact CD2-CG2 4.01Å; Y45-E66 HydrophobicContact CE2-CB 4.05Å; Y45-E66 HydrophobicContact CE2-CG 3.99Å; Y45-E66 PolarHBondContact OH-OE2 3.47Å
46	Y	93.4	Very high	90.7	Very high	73 Å²	73	81.5 Å²	81.5	29%	0.286	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.8	179.4	-54.4	-62.7	0	0	0	110.8	A40 H41 Q44 P56 V57	A40-Y46 HydrophobicContact CB-CE1 4.1Å; H41-Y46 WeakPolarHBondContact CA-OH 3.47Å; H41-Y46 WeakPolarHBondContact CB-OH 3.46Å; H41-Y46 PolarHBondContact N-OH 3.28Å; Q44-Y46 VanDerWaalsContact C-N 3.25Å; Q44-Y46 PolarHBondContact O-N 3Å; Y46-P56 HydrophobicContact CD1-CB 3.4Å; Y46-P56 HydrophobicContact CD1-CG 4.4Å; Y46-P56 HydrophobicContact CD2-CB 3.96Å; Y46-P56 HydrophobicContact CD2-CG 4.4Å; Y46-P56 HydrophobicContact CE1-CB 3.87Å; Y46-P56 HydrophobicContact CE1-CG 4.5Å; Y46-P56 HydrophobicContact CE2-CB 4.36Å; Y46-P56 HydrophobicContact CE2-CG 4.49Å; Y46-P56 HydrophobicContact CG-CB 3.43Å; Y46-P56 VanDerWaalsContact CG-CB 3.43Å; Y46-P56 HydrophobicContact CG-CG 4.34Å; Y46-V57 CarbonylContact C-O 3.52Å; Y46-V57 WeakPolarHBondContact CA-O 3.27Å; Y46-V57 WeakPolarHBondContact CB-O 3.27Å
47	D	90.6	Very high	90.3	Very high	122 Å²	122	84.6 Å²	84.6	65%	0.652	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	93.5	172.2	-170	16.3	0	0	0	110.3	V57 D59	D47-V57 PolarHBondContact N-O 2.68Å; D47-V57 WeakPolarHBondContact O-CB 3.33Å; D47-D59 HydrophobicContact CB-CB 4.28Å
48	G	90.6	Very high	90.3	Very high	50 Å²	50	84.2 Å²	84.2	52%	0.515	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-172.4	-178.1	0	0	0	0	0	114.4	V57	G48-V57 PolarHBondContact O-N 3.23Å
49	Y	90.8	Very high	90.3	Very high	117 Å²	117	80.9 Å²	80.9	46%	0.459	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.4	-175.5	-171.3	-98	0	0	0	109.6	E51 Q54 P56	Y49-E51 HydrophobicContact CD1-CG 4.44Å; Y49-Q54 WeakPolarHBondContact OH-CA 3.28Å; Y49-Q54 WeakPolarHBondContact OH-CB 3.17Å; Y49-Q54 PolarHBondContact OH-O 2.76Å; Y49-P56 HydrophobicContact CD2-CG 4.43Å
50	D	86.8	Confident	90.2	Very high	52 Å²	52	83.8 Å²	83.8	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108	174.7	-169.8	-51.6	0	0	0	109.1	E52 Y53 Q54 C55 V57	D50-E52 VanDerWaalsContact C-N 3.3Å; D50-E52 PolarHBondContact O-N 3.1Å; D50-E52 WeakPolarHBondContact OD1-CA 3.46Å; D50-E52 WeakPolarHBondContact OD1-CB 3.14Å; D50-E52 PolarHBondContact OD1-N 3.34Å; D50-Y53 PolarHBondContact OD1-N 3.24Å; D50-Q54 WeakPolarHBondContact O-CA 3.42Å; D50-Q54 PolarHBondContact O-N 2.99Å; D50-C55 WeakPolarHBondContact CB-O 3.18Å; D50-C55 PolarHBondContact N-O 2.86Å; D50-C55 PolarHBondContact O-N 3.03Å; D50-V57 HydrophobicContact CB-CG2 4.06Å
51	E	87.2	Confident	90.2	Very high	154 Å²	154	89.8 Å²	89.8	72%	0.72	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.8	179.8	-67.1	-72	178.1	0	0	113	Y49	Y49-E51 HydrophobicContact CD1-CG 4.44Å
52	E	83.1	Confident	90.3	Very high	123 Å²	123	89.6 Å²	89.6	58%	0.575	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-42.9	-178.5	-179.6	170.7	-178.6	0	0	111.2	D50 K116	D50-E52 VanDerWaalsContact C-N 3.3Å; D50-E52 PolarHBondContact O-N 3.1Å; D50-E52 WeakPolarHBondContact OD1-CA 3.46Å; D50-E52 WeakPolarHBondContact OD1-CB 3.14Å; D50-E52 PolarHBondContact OD1-N 3.34Å; E52-K116 WeakPolarHBondContact OE1-CE 3.35Å; E52-K116 IonicContact OE1-NZ 2.75Å; E52-K116 PolarHBondContact OE1-NZ 3.37Å
53	Y	79.4	Confident	90.5	Very high	97 Å²	97	82 Å²	82	38%	0.38	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-4.7	179.1	-66.7	-74.7	0	0	0	113.9	D50 C55 D120	D50-Y53 PolarHBondContact OD1-N 3.24Å; Y53-C55 VanDerWaalsContact C-N 3.31Å; Y53-C55 PolarHBondContact O-N 2.84Å; Y53-D120 VanDerWaalsContact CE1-OD2 3.31Å; Y53-D120 WeakPolarHBondContact CE1-OD2 3.28Å; Y53-D120 PolarHBondContact OH-OD2 3.43Å
54	Q	83.3	Confident	90.7	Very high	148 Å²	148	81.8 Å²	81.8	69%	0.692	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.3	180	-54.9	-165.9	-65.9	0	0	112.8	Y49 D50	Y49-Q54 WeakPolarHBondContact OH-CA 3.28Å; Y49-Q54 WeakPolarHBondContact OH-CB 3.17Å; Y49-Q54 PolarHBondContact OH-O 2.76Å; D50-Q54 WeakPolarHBondContact O-CA 3.42Å; D50-Q54 PolarHBondContact O-N 2.99Å
55	C	84.3	Confident	90.9	Very high	51 Å²	51	80.6 Å²	80.6	35%	0.345	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.5	179.7	58.6	0	0	0	0	112.5	D50 Y53	D50-C55 WeakPolarHBondContact CB-O 3.18Å; D50-C55 PolarHBondContact N-O 2.86Å; D50-C55 PolarHBondContact O-N 3.03Å; Y53-C55 VanDerWaalsContact C-N 3.31Å; Y53-C55 PolarHBondContact O-N 2.84Å
56	P	89	Confident	91	Very high	60 Å²	60	84 Å²	84	39%	0.39	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	142.2	169	-21.7	34	0	0	0	111.4	Y46 Y49	Y46-P56 HydrophobicContact CD1-CB 3.4Å; Y46-P56 HydrophobicContact CD1-CG 4.4Å; Y46-P56 HydrophobicContact CD2-CB 3.96Å; Y46-P56 HydrophobicContact CD2-CG 4.4Å; Y46-P56 HydrophobicContact CE1-CB 3.87Å; Y46-P56 HydrophobicContact CE1-CG 4.5Å; Y46-P56 HydrophobicContact CE2-CB 4.36Å; Y46-P56 HydrophobicContact CE2-CG 4.49Å; Y46-P56 HydrophobicContact CG-CB 3.43Å; Y46-P56 VanDerWaalsContact CG-CB 3.43Å; Y46-P56 HydrophobicContact CG-CG 4.34Å; Y49-P56 HydrophobicContact CD2-CG 4.43Å
57	V	91.4	Very high	91.2	Very high	64 Å²	64	80.7 Å²	80.7	39%	0.388	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.7	172.9	178.2	0	0	0	0	108.2	Y46 D47 G48 D50	Y46-V57 CarbonylContact C-O 3.52Å; Y46-V57 WeakPolarHBondContact CA-O 3.27Å; Y46-V57 WeakPolarHBondContact CB-O 3.27Å; D47-V57 PolarHBondContact N-O 2.68Å; D47-V57 WeakPolarHBondContact O-CB 3.33Å; G48-V57 PolarHBondContact O-N 3.23Å; D50-V57 HydrophobicContact CB-CG2 4.06Å
58	L	93.9	Very high	91.5	Very high	26 Å²	26	77.4 Å²	77.4	14%	0.136	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133	-178.9	-171.7	70.1	0	0	0	110.7	I36 A40 E60 V63 Y80 L85	I36-L58 HydrophobicContact CG2-CD2 4.29Å; A40-L58 HydrophobicContact CB-CD1 3.27Å; L58-E60 HydrophobicContact CD2-CG 4.23Å; L58-E60 HydrophobicContact CG-CG 4.43Å; L58-E60 PolarHBondContact O-N 3.03Å; L58-V63 HydrophobicContact CD1-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.2Å; L58-V63 HydrophobicContact CG-CG2 4.11Å; L58-Y80 HydrophobicContact CD2-CE1 4.06Å; L58-Y80 HydrophobicContact CD2-CE2 4.44Å; L58-Y80 WeakPolarHBondContact CD2-OH 3.42Å; L58-L85 HydrophobicContact CD2-CD1 4.22Å
59	D	95.6	Very high	91.8	Very high	20 Å²	20	81.7 Å²	81.7	11%	0.107	40%	0.398	C	S	.	.			trans	-83.1	91.1	165.9	-172.2	-31.1	0	0	0	108.2	Y45 D47 R62 V63	Y45-D59 PolarHBondContact O-N 2.98Å; D47-D59 HydrophobicContact CB-CB 4.28Å; D59-R62 HydrophobicContact CB-CB 4.27Å; D59-R62 HydrophobicContact CB-CG 4.42Å; D59-R62 PolarHBondContact O-N 3.22Å; D59-R62 WeakPolarHBondContact OD1-CG 3.5Å; D59-R62 PolarHBondContact OD1-N 3.41Å; D59-R62 VanDerWaalsContact OD1-N 3.12Å; D59-R62 WeakPolarHBondContact OD2-CD 3.21Å; D59-R62 WeakPolarHBondContact OD2-CG 3.15Å; D59-R62 IonicContact OD2-CZ 2.75Å; D59-R62 VanDerWaalsContact OD2-CZ 3.31Å; D59-R62 IonicContact OD2-NE 3.55Å; D59-R62 PolarHBondContact OD2-NE 3.04Å; D59-R62 IonicContact OD2-NH2 3.18Å; D59-V63 WeakPolarHBondContact O-CG2 3.49Å; D59-V63 PolarHBondContact O-N 3.38Å
60	E	94.6	Very high	92	Very high	91 Å²	91	80.4 Å²	80.4	43%	0.425	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-41.5	-173.9	-63	-176.4	172.1	0	0	112.4	L58 R62 V63 V64 L85	L58-E60 HydrophobicContact CD2-CG 4.23Å; L58-E60 HydrophobicContact CG-CG 4.43Å; L58-E60 PolarHBondContact O-N 3.03Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 2.95Å; E60-V63 WeakPolarHBondContact O-CB 3.34Å; E60-V63 PolarHBondContact O-N 3.18Å; E60-V64 WeakPolarHBondContact O-CG2 3.5Å; E60-V64 PolarHBondContact O-N 3.11Å; E60-L85 HydrophobicContact CB-CB 4.13Å; E60-L85 HydrophobicContact CB-CD1 3.97Å; E60-L85 HydrophobicContact CG-CB 4.19Å; E60-L85 HydrophobicContact CG-CD1 3.97Å
61	D	95.1	Very high	92.6	Very high	128 Å²	128	78.2 Å²	78.2	68%	0.684	38%	0.383	S	S	*	.	H	α-helix	trans	-59.4	-44.5	178.7	-75	-26.2	0	0	0	110.8	V63 V64 D65	D61-V63 PolarHBondContact O-N 3.5Å; D61-V64 PolarHBondContact O-N 3.35Å; D61-D65 WeakPolarHBondContact O-CB 3.37Å; D61-D65 PolarHBondContact O-N 3.03Å
62	R	95.7	Very high	93	Very high	129 Å²	129	75.6 Å²	75.6	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-36.9	177	-72.6	-173	-158	-178.8	9.5	113.4	Y45 D59 E60 V64 E66	Y45-R62 HydrophobicContact CD1-CB 4.21Å; Y45-R62 HydrophobicContact CG-CB 4.21Å; D59-R62 HydrophobicContact CB-CB 4.27Å; D59-R62 HydrophobicContact CB-CG 4.42Å; D59-R62 PolarHBondContact O-N 3.22Å; D59-R62 WeakPolarHBondContact OD1-CG 3.5Å; D59-R62 PolarHBondContact OD1-N 3.41Å; D59-R62 VanDerWaalsContact OD1-N 3.12Å; D59-R62 WeakPolarHBondContact OD2-CD 3.21Å; D59-R62 WeakPolarHBondContact OD2-CG 3.15Å; D59-R62 IonicContact OD2-CZ 2.75Å; D59-R62 VanDerWaalsContact OD2-CZ 3.31Å; D59-R62 IonicContact OD2-NE 3.55Å; D59-R62 PolarHBondContact OD2-NE 3.04Å; D59-R62 IonicContact OD2-NH2 3.18Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 2.95Å; R62-V64 VanDerWaalsContact C-N 3.29Å; R62-E66 VanDerWaalsContact O-CB 3.31Å; R62-E66 WeakPolarHBondContact O-CB 3.27Å; R62-E66 PolarHBondContact O-N 3.1Å
63	V	96.6	Very high	93.6	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62	-43.2	174.3	168.9	0	0	0	0	110.1	I36 Y45 L58 D59 E60 D61 L67 L85 F86	I36-V63 HydrophobicContact CD1-CG1 4.14Å; I36-V63 HydrophobicContact CG2-CG1 3.83Å; I36-V63 HydrophobicContact CG2-CG2 4.44Å; Y45-V63 HydrophobicContact CD2-CG2 4.01Å; L58-V63 HydrophobicContact CD1-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.2Å; L58-V63 HydrophobicContact CG-CG2 4.11Å; D59-V63 WeakPolarHBondContact O-CG2 3.49Å; D59-V63 PolarHBondContact O-N 3.38Å; E60-V63 WeakPolarHBondContact O-CB 3.34Å; E60-V63 PolarHBondContact O-N 3.18Å; D61-V63 PolarHBondContact O-N 3.5Å; V63-L67 HydrophobicContact CG1-CD1 4.01Å; V63-L67 WeakPolarHBondContact O-CG 3.27Å; V63-L67 PolarHBondContact O-N 3.36Å; V63-L85 HydrophobicContact CG1-CD1 4.39Å; V63-F86 HydrophobicContact CG1-CE1 4.27Å
64	V	96.9	Very high	94.5	Very high	25 Å²	25	72.7 Å²	72.7	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-48.4	178.9	172.8	0	0	0	0	110.9	E60 D61 R62 E66 L67 D68 L85 P87 W90	E60-V64 WeakPolarHBondContact O-CG2 3.5Å; E60-V64 PolarHBondContact O-N 3.11Å; D61-V64 PolarHBondContact O-N 3.35Å; R62-V64 VanDerWaalsContact C-N 3.29Å; V64-E66 PolarHBondContact O-N 2.99Å; V64-L67 PolarHBondContact O-N 2.84Å; V64-D68 PolarHBondContact O-N 2.98Å; V64-L85 WeakPolarHBondContact CG2-O 3.48Å; V64-P87 HydrophobicContact CG1-CG 4.03Å; V64-W90 HydrophobicContact CB-CH2 4.3Å; V64-W90 HydrophobicContact CG1-CH2 4.01Å; V64-W90 HydrophobicContact CG1-CZ2 3.92Å; V64-W90 HydrophobicContact CG2-CH2 4.44Å; V64-W90 WeakPolarHBondContact O-CH2 3.38Å
65	D	96.4	Very high	95.2	Very high	127 Å²	127	65.8 Å²	65.8	68%	0.679	34%	0.341	S	S	*	.	H	α-helix	trans	-59.4	-43.1	179.2	-79.7	-14.4	0	0	0	112.4	D61 L67	D61-D65 WeakPolarHBondContact O-CB 3.37Å; D61-D65 PolarHBondContact O-N 3.03Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 2.87Å
66	E	96.5	Very high	95.9	Very high	108 Å²	108	63.4 Å²	63.4	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-34.3	179.4	179.5	61.3	-158.8	0	0	112.3	L39 Y45 R62 V64	L39-E66 HydrophobicContact CD1-CG 4.41Å; Y45-E66 HydrophobicContact CE2-CB 4.05Å; Y45-E66 HydrophobicContact CE2-CG 3.99Å; Y45-E66 PolarHBondContact OH-OE2 3.47Å; R62-E66 VanDerWaalsContact O-CB 3.31Å; R62-E66 WeakPolarHBondContact O-CB 3.27Å; R62-E66 PolarHBondContact O-N 3.1Å; V64-E66 PolarHBondContact O-N 2.99Å
67	L	97.6	Very high	96.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-92.5	-19.7	-175.3	-69.1	171.2	0	0	0	113.9	V34 I36 L39 V63 V64 D65 Q69 K70 M71 I78 W90	V34-L67 HydrophobicContact CG1-CD2 4.12Å; I36-L67 HydrophobicContact CD1-CD1 3.32Å; L39-L67 HydrophobicContact CD2-CD1 3.83Å; L39-L67 HydrophobicContact CD2-CD2 3.87Å; L39-L67 HydrophobicContact CD2-CG 3.83Å; V63-L67 HydrophobicContact CG1-CD1 4.01Å; V63-L67 WeakPolarHBondContact O-CG 3.27Å; V63-L67 PolarHBondContact O-N 3.36Å; V64-L67 PolarHBondContact O-N 2.84Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 2.87Å; L67-Q69 VanDerWaalsContact C-N 3.35Å; L67-Q69 PolarHBondContact O-N 2.93Å; L67-K70 PolarHBondContact O-N 3.41Å; L67-M71 HydrophobicContact CB-CG 4.13Å; L67-M71 VanDerWaalsContact O-CG 3.31Å; L67-M71 WeakPolarHBondContact O-CG 3.28Å; L67-M71 PolarHBondContact O-N 2.99Å; L67-I78 HydrophobicContact CD1-CD1 4.2Å; L67-W90 HydrophobicContact CB-CH2 3.58Å; L67-W90 HydrophobicContact CB-CZ2 4.4Å; L67-W90 HydrophobicContact CB-CZ3 3.99Å; L67-W90 HydrophobicContact CD1-CZ3 4.4Å
68	D	96.6	Very high	96.7	Very high	53 Å²	53	57.5 Å²	57.5	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-54.4	-46.9	-169	-169.8	53.3	0	0	0	113.1	V64 K70 M71 V72 R89 W90	V64-D68 PolarHBondContact O-N 2.98Å; D68-K70 PolarHBondContact O-N 3.45Å; D68-M71 PolarHBondContact O-N 2.91Å; D68-V72 VanDerWaalsContact O-CG2 3.29Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.46Å; D68-R89 IonicContact OD1-CZ 3.77Å; D68-R89 IonicContact OD1-NH1 2.71Å; D68-R89 PolarHBondContact OD1-NH1 3.44Å; D68-R89 IonicContact OD1-NH2 3.38Å; D68-R89 PolarHBondContact OD1-NH2 2.97Å; D68-R89 IonicContact OD2-NH2 3.06Å; D68-W90 HydrophobicContact CB-CZ2 3.98Å; D68-W90 PolarHBondContact OD1-NE1 3.21Å; D68-W90 VanDerWaalsContact OD1-NE1 3.09Å
69	Q	96.4	Very high	97	Very high	141 Å²	141	56.4 Å²	56.4	66%	0.659	28%	0.282	S	S	*	.	H	α-helix	trans	-61.7	-44.4	178.5	-173	-177.2	-20.9	0	0	111.8	L67 M71 V72 E73	L67-Q69 VanDerWaalsContact C-N 3.35Å; L67-Q69 PolarHBondContact O-N 2.93Å; Q69-M71 VanDerWaalsContact C-N 3.33Å; Q69-M71 PolarHBondContact O-N 2.9Å; Q69-V72 PolarHBondContact O-N 2.88Å; Q69-E73 PolarHBondContact NE2-OE1 3.43Å; Q69-E73 WeakPolarHBondContact O-CG 3.33Å; Q69-E73 PolarHBondContact O-N 3.38Å
70	K	96.7	Very high	97.1	Very high	89 Å²	89	56.9 Å²	56.9	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-38.8	-179.5	-169.5	-175.9	-77	174.9	0	111.3	T32 V34 L67 D68 V72 E73 G74 V76	T32-K70 HydrophobicContact CG2-CD 4.4Å; V34-K70 HydrophobicContact CG2-CD 4.47Å; L67-K70 PolarHBondContact O-N 3.41Å; D68-K70 PolarHBondContact O-N 3.45Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-E73 PolarHBondContact O-N 3.47Å; K70-G74 PolarHBondContact O-N 3.01Å; K70-G74 VanDerWaalsContact O-N 3.1Å; K70-V76 HydrophobicContact CD-CG2 4.06Å; K70-V76 HydrophobicContact CG-CG2 3.74Å
71	M	98.1	Very high	97.2	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-32.9	177.3	-63.1	-57.6	-70.8	0	0	111.8	N7 L67 D68 Q69 G74 V76 I78 W90 F91	N7-M71 HydrophobicContact CB-CE 3.82Å; N7-M71 PolarHBondContact ND2-O 2.81Å; L67-M71 HydrophobicContact CB-CG 4.13Å; L67-M71 VanDerWaalsContact O-CG 3.31Å; L67-M71 WeakPolarHBondContact O-CG 3.28Å; L67-M71 PolarHBondContact O-N 2.99Å; D68-M71 PolarHBondContact O-N 2.91Å; Q69-M71 VanDerWaalsContact C-N 3.33Å; Q69-M71 PolarHBondContact O-N 2.9Å; M71-G74 PolarHBondContact O-N 2.9Å; M71-V76 HydrophobicContact CE-CB 4.48Å; M71-V76 HydrophobicContact SD-CB 3.63Å; M71-V76 HydrophobicContact SD-CG1 3.72Å; M71-V76 HydrophobicContact SD-CG2 3.87Å; M71-I78 HydrophobicContact CE-CG1 3.91Å; M71-I78 HydrophobicContact SD-CD1 3.95Å; M71-I78 HydrophobicContact SD-CG1 3.99Å; M71-W90 HydrophobicContact CB-CD2 3.76Å; M71-W90 HydrophobicContact CB-CE3 4.31Å; M71-W90 HydrophobicContact CB-CG 3.84Å; M71-W90 HydrophobicContact CB-CZ2 4.34Å; M71-W90 HydrophobicContact CE-CB 3.77Å; M71-W90 HydrophobicContact CE-CD2 4.16Å; M71-W90 HydrophobicContact CE-CE3 3.94Å; M71-W90 HydrophobicContact CE-CG 4.15Å; M71-W90 HydrophobicContact CG-CD2 3.63Å; M71-W90 HydrophobicContact CG-CE3 3.66Å; M71-W90 HydrophobicContact CG-CG 4.16Å; M71-W90 HydrophobicContact CG-CH2 4.1Å; M71-W90 HydrophobicContact CG-CZ2 4.13Å; M71-W90 HydrophobicContact CG-CZ3 3.87Å; M71-W90 HydrophobicContact SD-CE3 4.44Å; M71-F91 HydrophobicContact CE-CD1 3.94Å; M71-F91 HydrophobicContact CE-CE1 3.42Å; M71-F91 VanDerWaalsContact CE-CE1 3.42Å; M71-F91 HydrophobicContact CE-CZ 3.98Å
72	V	96.3	Very high	97.1	Very high	99 Å²	99	50.5 Å²	50.5	60%	0.6	25%	0.25	S	S	*	.	H	α-helix	trans	-67.9	-37.5	172.4	169.9	0	0	0	0	112.1	D68 Q69 K70 G74	D68-V72 VanDerWaalsContact O-CG2 3.29Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.46Å; Q69-V72 PolarHBondContact O-N 2.88Å; K70-V72 VanDerWaalsContact C-N 3.33Å; V72-G74 VanDerWaalsContact C-N 3.29Å
73	E	96.3	Very high	97	Very high	139 Å²	139	44.3 Å²	44.3	65%	0.65	23%	0.227	S	C	*	.	H	α-helix	trans	-67.1	-31.6	175.7	-71.5	173.2	-167.1	0	0	112.2	Q69 K70	Q69-E73 PolarHBondContact NE2-OE1 3.43Å; Q69-E73 WeakPolarHBondContact O-CG 3.33Å; Q69-E73 PolarHBondContact O-N 3.38Å; K70-E73 PolarHBondContact O-N 3.47Å
74	G	97.7	Very high	96.7	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	25%	0.253	C	S	.	.			trans	88	172.6	173.8	0	0	0	0	0	113.9	N7 K70 M71 V72	N7-G74 VanDerWaalsContact OD1-C 3.3Å; N7-G74 VanDerWaalsContact OD1-CA 3.25Å; N7-G74 WeakPolarHBondContact OD1-CA 3.44Å; K70-G74 PolarHBondContact O-N 3.01Å; K70-G74 VanDerWaalsContact O-N 3.1Å; M71-G74 PolarHBondContact O-N 2.9Å; V72-G74 VanDerWaalsContact C-N 3.29Å
75	G	98.4	Very high	96.7	Very high	2 Å²	2	49 Å²	49	2%	0.021	25%	0.251	C	S	.	.			trans	79.8	34.6	178.2	0	0	0	0	0	114.7	L5 P6 N7 L31 T32	L5-G75 VanDerWaalsContact CB-CA 3.41Å; L5-G75 PolarHBondContact O-N 2.89Å; P6-G75 VanDerWaalsContact O-CA 3.27Å; P6-G75 WeakPolarHBondContact O-CA 3.39Å; P6-G75 PolarHBondContact O-N 2.87Å; N7-G75 PolarHBondContact OD1-N 2.79Å; L31-G75 WeakPolarHBondContact CA-O 3.45Å; L31-G75 WeakPolarHBondContact CB-O 3.39Å; T32-G75 PolarHBondContact N-O 2.85Å
76	V	98.8	Very high	96.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.5	-176.8	-170.3	0	0	0	0	111.5	N7 I8 T32 V34 K70 M71 I78	N7-V76 CarbonylContact C-O 3.54Å; N7-V76 WeakPolarHBondContact CA-O 3.42Å; N7-V76 PolarHBondContact OD1-N 3.36Å; I8-V76 PolarHBondContact N-O 3.2Å; T32-V76 CarbonylContact O-C 3.54Å; T32-V76 WeakPolarHBondContact O-CA 3.34Å; V34-V76 HydrophobicContact CG2-CG1 3.9Å; K70-V76 HydrophobicContact CD-CG2 4.06Å; K70-V76 HydrophobicContact CG-CG2 3.74Å; M71-V76 HydrophobicContact CE-CB 4.48Å; M71-V76 HydrophobicContact SD-CB 3.63Å; M71-V76 HydrophobicContact SD-CG1 3.72Å; M71-V76 HydrophobicContact SD-CG2 3.87Å; V76-I78 HydrophobicContact CG1-CD1 3.61Å; V76-I78 HydrophobicContact CG1-CG1 4.18Å
77	I	98.9	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.2	168.3	-58.7	158.8	0	0	0	107.5	I8 L10 L25 A26 L31 T32 Y33 V34	I8-I77 HydrophobicContact CB-CG1 4.37Å; I8-I77 HydrophobicContact CD1-CG1 4.47Å; I8-I77 WeakPolarHBondContact O-CA 3.4Å; L10-I77 HydrophobicContact CD1-CG2 3.81Å; L10-I77 HydrophobicContact CG-CG2 3.98Å; L25-I77 HydrophobicContact CB-CD1 4.07Å; L25-I77 HydrophobicContact CD2-CD1 3.75Å; L25-I77 HydrophobicContact CD2-CG1 4.25Å; L25-I77 HydrophobicContact CG-CD1 3.75Å; A26-I77 HydrophobicContact CB-CD1 3.98Å; L31-I77 HydrophobicContact CB-CD1 3.74Å; L31-I77 HydrophobicContact CB-CG1 4Å; L31-I77 HydrophobicContact CD1-CD1 4.14Å; L31-I77 HydrophobicContact CD1-CG1 4Å; T32-I77 PolarHBondContact O-N 3.48Å; Y33-I77 HydrophobicContact CD2-CG2 4.33Å; V34-I77 PolarHBondContact N-O 3.1Å
78	I	98.8	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.9	175.4	-63	-56.3	0	0	0	109.7	I8 L9 L10 V34 I36 L67 M71 V76 F86 F91	I8-I78 PolarHBondContact O-N 3.34Å; L9-I78 HydrophobicContact CD1-CB 4.03Å; L9-I78 HydrophobicContact CD1-CG2 3.75Å; L10-I78 PolarHBondContact N-O 2.82Å; V34-I78 HydrophobicContact CB-CD1 3.9Å; V34-I78 HydrophobicContact CG1-CD1 4.35Å; V34-I78 HydrophobicContact CG2-CD1 4.44Å; I36-I78 HydrophobicContact CD1-CD1 4.19Å; I36-I78 HydrophobicContact CD1-CG2 3.94Å; I36-I78 HydrophobicContact CG1-CG2 3.71Å; L67-I78 HydrophobicContact CD1-CD1 4.2Å; M71-I78 HydrophobicContact CE-CG1 3.91Å; M71-I78 HydrophobicContact SD-CD1 3.95Å; M71-I78 HydrophobicContact SD-CG1 3.99Å; V76-I78 HydrophobicContact CG1-CD1 3.61Å; V76-I78 HydrophobicContact CG1-CG1 4.18Å; I78-F86 HydrophobicContact CG2-CE2 4.11Å; I78-F86 HydrophobicContact CG2-CZ 4.01Å; I78-F91 HydrophobicContact CB-CE1 3.83Å; I78-F91 HydrophobicContact CB-CZ 4.07Å; I78-F91 HydrophobicContact CG1-CE1 3.59Å; I78-F91 HydrophobicContact CG1-CZ 3.9Å; I78-F91 HydrophobicContact CG2-CZ 4.34Å
79	D	98.6	Very high	96.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.6	168.9	170.2	16	0	0	0	109.8	K18 T19 Y33 V34 N35 I36	K18-D79 WeakPolarHBondContact CB-OD1 3.44Å; K18-D79 WeakPolarHBondContact CD-OD1 3.2Å; K18-D79 WeakPolarHBondContact CE-OD1 3.42Å; T19-D79 WeakPolarHBondContact CA-OD2 3.13Å; T19-D79 WeakPolarHBondContact CB-OD2 3.39Å; T19-D79 PolarHBondContact N-OD2 3.06Å; T19-D79 PolarHBondContact OG1-OD2 3.2Å; Y33-D79 HydrophobicContact CE2-CB 3.71Å; Y33-D79 PolarHBondContact OH-OD2 3.34Å; V34-D79 PolarHBondContact O-N 2.88Å; N35-D79 PolarHBondContact ND2-OD2 2.94Å; I36-D79 PolarHBondContact N-O 2.93Å
80	Y	98.4	Very high	96.8	Very high	31 Å²	31	43.1 Å²	43.1	12%	0.122	21%	0.214	C	C	.	.			trans	-149.7	164.7	169.2	-162.4	-131.8	0	0	0	111.2	L10 T11 K18 I36 L58 G82 L85 F86	L10-Y80 PolarHBondContact O-N 3.41Å; T11-Y80 VanDerWaalsContact CA-O 3.3Å; T11-Y80 WeakPolarHBondContact CA-O 3.47Å; T11-Y80 PolarHBondContact OG1-O 2.85Å; K18-Y80 WeakPolarHBondContact CD-O 3.41Å; K18-Y80 VanDerWaalsContact CE-O 3.22Å; K18-Y80 WeakPolarHBondContact CE-O 3.4Å; I36-Y80 HydrophobicContact CB-CD2 3.54Å; I36-Y80 HydrophobicContact CB-CE2 4.25Å; I36-Y80 HydrophobicContact CB-CG 3.75Å; I36-Y80 HydrophobicContact CG1-CD2 4.4Å; I36-Y80 HydrophobicContact CG1-CG 4.14Å; I36-Y80 HydrophobicContact CG2-CD1 4.32Å; I36-Y80 HydrophobicContact CG2-CD2 3.72Å; I36-Y80 HydrophobicContact CG2-CE2 3.97Å; I36-Y80 HydrophobicContact CG2-CG 3.92Å; L58-Y80 HydrophobicContact CD2-CE1 4.06Å; L58-Y80 HydrophobicContact CD2-CE2 4.44Å; L58-Y80 WeakPolarHBondContact CD2-OH 3.42Å; Y80-G82 WeakPolarHBondContact CD1-O 3.35Å; Y80-L85 HydrophobicContact CD1-CD2 4Å; Y80-L85 HydrophobicContact CE1-CD2 4.08Å; Y80-F86 HydrophobicContact CD1-CE2 4.34Å; Y80-F86 HydrophobicContact CD1-CZ 4.15Å; Y80-F86 HydrophobicContact CG-CZ 4.49Å
81	H	95.9	Very high	96.9	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.356	20%	0.197	S	C	.	.	S	Bend	trans	-92.2	-27.7	179.7	59.4	-84.2	0	0	0	113	T11 P14 I130	T11-H81 PolarHBondContact OG1-O 2.83Å; T11-H81 VanDerWaalsContact OG1-O 3.1Å; P14-H81 HydrophobicContact CG-CB 4.14Å; H81-I130 VanDerWaalsContact O-CD1 3.27Å; H81-I130 WeakPolarHBondContact O-CD1 3.42Å; H81-I130 WeakPolarHBondContact O-CG2 3.16Å
82	G	93	Very high	96.9	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	21%	0.211	C	C	.	.			trans	-97.2	167.9	167.1	0	0	0	0	0	111.3	Y80 E133	Y80-G82 WeakPolarHBondContact CD1-O 3.35Å; G82-E133 WeakPolarHBondContact CA-OE1 3.48Å
83	C	93.6	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.			trans	-153.1	-10.1	-174.7	63.2	0	0	0	0	115.8	L9 L85 F86 E133 Y138	L9-C83 HydrophobicContact CD2-CB 3.61Å; C83-L85 VanDerWaalsContact C-N 3.33Å; C83-F86 PolarHBondContact O-N 3.42Å; C83-E133 PolarHBondContact N-OE1 3.08Å; C83-E133 PolarHBondContact SG-OE1 3.14Å; C83-Y138 HydrophobicContact CB-CE2 3.91Å; C83-Y138 PolarHBondContact O-OH 2.7Å
84	D	92	Very high	97.1	Very high	103 Å²	103	31.3 Å²	31.3	55%	0.551	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.5	176.8	64.5	-13.4	0	0	0	114	F86 E133	D84-F86 VanDerWaalsContact C-N 3.27Å; D84-F86 PolarHBondContact O-N 3.44Å; D84-E133 HydrophobicContact CB-CG 4.04Å; D84-E133 PolarHBondContact N-OE1 3.5Å
85	L	94.9	Very high	97.2	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.11	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.6	175.3	75.9	157.3	0	0	0	114.3	L58 E60 V63 V64 Y80 C83	L58-L85 HydrophobicContact CD2-CD1 4.22Å; E60-L85 HydrophobicContact CB-CB 4.13Å; E60-L85 HydrophobicContact CB-CD1 3.97Å; E60-L85 HydrophobicContact CG-CB 4.19Å; E60-L85 HydrophobicContact CG-CD1 3.97Å; V63-L85 HydrophobicContact CG1-CD1 4.39Å; V64-L85 WeakPolarHBondContact CG2-O 3.48Å; Y80-L85 HydrophobicContact CD1-CD2 4Å; Y80-L85 HydrophobicContact CE1-CD2 4.08Å; C83-L85 VanDerWaalsContact C-N 3.33Å
86	F	97.6	Very high	97.2	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.039	14%	0.143	C	C	.	.	S	Bend	trans	-86.8	141.3	-170.4	-57.7	-56.8	0	0	0	111.6	L9 I36 V63 I78 Y80 C83 D84 E88 W90 F91	L9-F86 HydrophobicContact CD1-CD2 4.45Å; L9-F86 HydrophobicContact CD1-CE2 4.22Å; I36-F86 HydrophobicContact CD1-CE1 4.27Å; I36-F86 HydrophobicContact CD1-CZ 4.23Å; I36-F86 HydrophobicContact CG1-CE1 4.44Å; I36-F86 HydrophobicContact CG1-CZ 3.92Å; V63-F86 HydrophobicContact CG1-CE1 4.27Å; I78-F86 HydrophobicContact CG2-CE2 4.11Å; I78-F86 HydrophobicContact CG2-CZ 4.01Å; Y80-F86 HydrophobicContact CD1-CE2 4.34Å; Y80-F86 HydrophobicContact CD1-CZ 4.15Å; Y80-F86 HydrophobicContact CG-CZ 4.49Å; C83-F86 PolarHBondContact O-N 3.42Å; D84-F86 VanDerWaalsContact C-N 3.27Å; D84-F86 PolarHBondContact O-N 3.44Å; F86-E88 PolarHBondContact O-N 2.91Å; F86-W90 HydrophobicContact CB-CE3 4.05Å; F86-W90 HydrophobicContact CB-CZ3 4.44Å; F86-W90 AromaticContact CD1-CE3 3.95Å; F86-W90 HydrophobicContact CD1-CE3 3.95Å; F86-W90 AromaticContact CD1-CZ3 3.55Å; F86-W90 HydrophobicContact CD1-CZ3 3.55Å; F86-W90 HydrophobicContact CE1-CZ3 4.26Å; F86-W90 HydrophobicContact CG-CE3 4.27Å; F86-W90 HydrophobicContact CG-CZ3 4.32Å; F86-F91 HydrophobicContact CB-CE2 3.6Å; F86-F91 HydrophobicContact CB-CZ 4.25Å; F86-F91 AromaticContact CD2-CE2 3.86Å; F86-F91 HydrophobicContact CD2-CE2 3.86Å; F86-F91 HydrophobicContact CD2-CZ 4.01Å; F86-F91 AromaticContact CG-CE2 3.88Å; F86-F91 HydrophobicContact CG-CE2 3.88Å; F86-F91 HydrophobicContact CG-CZ 4.09Å
87	P	97.3	Very high	97.2	Very high	36 Å²	36	30.4 Å²	30.4	23%	0.234	14%	0.143	C	C	.	.			trans	-58	125.8	171.3	-24	33.2	0	0	0	111.9	V64 R89 W90	V64-P87 HydrophobicContact CG1-CG 4.03Å; P87-R89 HydrophobicContact CB-CG 4Å; P87-R89 PolarHBondContact O-N 3.16Å; P87-W90 HydrophobicContact CB-CD2 4.41Å; P87-W90 HydrophobicContact CB-CG 4.21Å; P87-W90 HydrophobicContact CG-CD2 4.14Å; P87-W90 HydrophobicContact CG-CG 4.44Å; P87-W90 HydrophobicContact CG-CZ2 4.09Å; P87-W90 VanDerWaalsContact O-CB 3.28Å; P87-W90 WeakPolarHBondContact O-CB 3.31Å; P87-W90 PolarHBondContact O-N 2.92Å
88	E	95.9	Very high	97.2	Very high	100 Å²	100	32.5 Å²	32.5	47%	0.467	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-48.7	-40.6	-178.8	-172.4	-173.6	179.2	0	0	112.6	F86 W90 F91 Y138 S139	F86-E88 PolarHBondContact O-N 2.91Å; E88-W90 PolarHBondContact O-N 3.2Å; E88-F91 PolarHBondContact O-N 2.91Å; E88-Y138 HydrophobicContact CG-CD1 3.97Å; E88-S139 PolarHBondContact OE1-OG 3.49Å
89	R	96.9	Very high	97.2	Very high	160 Å²	160	32.7 Å²	32.7	60%	0.604	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-58.5	-15.5	179.6	65.8	171.1	171.2	94.4	0.4	115.2	D68 P87	D68-R89 IonicContact OD1-CZ 3.77Å; D68-R89 IonicContact OD1-NH1 2.71Å; D68-R89 PolarHBondContact OD1-NH1 3.44Å; D68-R89 IonicContact OD1-NH2 3.38Å; D68-R89 PolarHBondContact OD1-NH2 2.97Å; D68-R89 IonicContact OD2-NH2 3.06Å; P87-R89 HydrophobicContact CB-CG 4Å; P87-R89 PolarHBondContact O-N 3.16Å
90	W	98.3	Very high	97.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-72.2	-31.3	-175	-82.4	5.6	0	0	0	113	N7 V64 L67 D68 M71 F86 P87 E88	N7-W90 WeakPolarHBondContact CB-O 3.39Å; N7-W90 PolarHBondContact ND2-O 3.12Å; V64-W90 HydrophobicContact CB-CH2 4.3Å; V64-W90 HydrophobicContact CG1-CH2 4.01Å; V64-W90 HydrophobicContact CG1-CZ2 3.92Å; V64-W90 HydrophobicContact CG2-CH2 4.44Å; V64-W90 WeakPolarHBondContact O-CH2 3.38Å; L67-W90 HydrophobicContact CB-CH2 3.58Å; L67-W90 HydrophobicContact CB-CZ2 4.4Å; L67-W90 HydrophobicContact CB-CZ3 3.99Å; L67-W90 HydrophobicContact CD1-CZ3 4.4Å; D68-W90 HydrophobicContact CB-CZ2 3.98Å; D68-W90 PolarHBondContact OD1-NE1 3.21Å; D68-W90 VanDerWaalsContact OD1-NE1 3.09Å; M71-W90 HydrophobicContact CB-CD2 3.76Å; M71-W90 HydrophobicContact CB-CE3 4.31Å; M71-W90 HydrophobicContact CB-CG 3.84Å; M71-W90 HydrophobicContact CB-CZ2 4.34Å; M71-W90 HydrophobicContact CE-CB 3.77Å; M71-W90 HydrophobicContact CE-CD2 4.16Å; M71-W90 HydrophobicContact CE-CE3 3.94Å; M71-W90 HydrophobicContact CE-CG 4.15Å; M71-W90 HydrophobicContact CG-CD2 3.63Å; M71-W90 HydrophobicContact CG-CE3 3.66Å; M71-W90 HydrophobicContact CG-CG 4.16Å; M71-W90 HydrophobicContact CG-CH2 4.1Å; M71-W90 HydrophobicContact CG-CZ2 4.13Å; M71-W90 HydrophobicContact CG-CZ3 3.87Å; M71-W90 HydrophobicContact SD-CE3 4.44Å; F86-W90 HydrophobicContact CB-CE3 4.05Å; F86-W90 HydrophobicContact CB-CZ3 4.44Å; F86-W90 AromaticContact CD1-CE3 3.95Å; F86-W90 HydrophobicContact CD1-CE3 3.95Å; F86-W90 AromaticContact CD1-CZ3 3.55Å; F86-W90 HydrophobicContact CD1-CZ3 3.55Å; F86-W90 HydrophobicContact CE1-CZ3 4.26Å; F86-W90 HydrophobicContact CG-CE3 4.27Å; F86-W90 HydrophobicContact CG-CZ3 4.32Å; P87-W90 HydrophobicContact CB-CD2 4.41Å; P87-W90 HydrophobicContact CB-CG 4.21Å; P87-W90 HydrophobicContact CG-CD2 4.14Å; P87-W90 HydrophobicContact CG-CG 4.44Å; P87-W90 HydrophobicContact CG-CZ2 4.09Å; P87-W90 VanDerWaalsContact O-CB 3.28Å; P87-W90 WeakPolarHBondContact O-CB 3.31Å; P87-W90 PolarHBondContact O-N 2.92Å; E88-W90 PolarHBondContact O-N 3.2Å
91	F	98.6	Very high	97	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.044	19%	0.185	C	C	.	.			trans	-112.2	139.2	-168.1	-57	-68.6	0	0	0	112.1	N7 L9 M71 I78 F86 E88 V94 Y138	N7-F91 HydrophobicContact CB-CD1 4.27Å; L9-F91 HydrophobicContact CB-CD1 3.63Å; L9-F91 HydrophobicContact CB-CD2 4.11Å; L9-F91 HydrophobicContact CB-CE1 3.72Å; L9-F91 HydrophobicContact CB-CE2 4.18Å; L9-F91 HydrophobicContact CB-CG 3.82Å; L9-F91 HydrophobicContact CB-CZ 4.01Å; L9-F91 HydrophobicContact CD1-CE1 4.36Å; L9-F91 HydrophobicContact CD1-CE2 4.49Å; L9-F91 HydrophobicContact CD1-CZ 4.05Å; L9-F91 HydrophobicContact CD2-CD2 4.19Å; L9-F91 HydrophobicContact CD2-CE2 3.99Å; L9-F91 HydrophobicContact CD2-CZ 4.35Å; L9-F91 HydrophobicContact CG-CE2 4.46Å; L9-F91 HydrophobicContact CG-CZ 4.36Å; M71-F91 HydrophobicContact CE-CD1 3.94Å; M71-F91 HydrophobicContact CE-CE1 3.42Å; M71-F91 VanDerWaalsContact CE-CE1 3.42Å; M71-F91 HydrophobicContact CE-CZ 3.98Å; I78-F91 HydrophobicContact CB-CE1 3.83Å; I78-F91 HydrophobicContact CB-CZ 4.07Å; I78-F91 HydrophobicContact CG1-CE1 3.59Å; I78-F91 HydrophobicContact CG1-CZ 3.9Å; I78-F91 HydrophobicContact CG2-CZ 4.34Å; F86-F91 HydrophobicContact CB-CE2 3.6Å; F86-F91 HydrophobicContact CB-CZ 4.25Å; F86-F91 AromaticContact CD2-CE2 3.86Å; F86-F91 HydrophobicContact CD2-CE2 3.86Å; F86-F91 HydrophobicContact CD2-CZ 4.01Å; F86-F91 AromaticContact CG-CE2 3.88Å; F86-F91 HydrophobicContact CG-CE2 3.88Å; F86-F91 HydrophobicContact CG-CZ 4.09Å; E88-F91 PolarHBondContact O-N 2.91Å; F91-V94 HydrophobicContact CB-CG2 4.16Å; F91-Y138 AromaticContact CD2-CE1 3.62Å; F91-Y138 HydrophobicContact CD2-CE1 3.62Å; F91-Y138 AromaticContact CD2-CZ 3.88Å; F91-Y138 HydrophobicContact CE2-CE1 4.32Å; F91-Y138 WeakPolarHBondContact CE2-OH 3.3Å
92	H	98.7	Very high	96.9	Very high	70 Å²	70	40.4 Å²	40.4	32%	0.324	20%	0.202	S	C	.	.	S	Bend	trans	-95.7	-17.5	173.7	-51.8	84.9	0	0	0	111.5	P6 N7 W164 W168	P6-H92 HydrophobicContact CB-CB 4.44Å; N7-H92 PolarHBondContact N-ND1 3.09Å; N7-H92 PolarHBondContact O-N 2.84Å; N7-H92 PolarHBondContact O-ND1 2.87Å; H92-W164 HydrophobicContact CB-CH2 4.05Å; H92-W164 HydrophobicContact CB-CZ2 4.44Å; H92-W168 AromaticContact CD2-CE2 3.87Å; H92-W168 AromaticContact CD2-CZ2 3.35Å; H92-W168 WeakPolarHBondContact CD2-CZ2 3.17Å; H92-W168 AromaticContact CD2-NE1 3.9Å; H92-W168 AromaticContact CG-CZ2 3.83Å; H92-W168 AromaticContact CG-NE1 3.95Å; H92-W168 AromaticContact NE2-CZ2 3.47Å; H92-W168 WeakPolarHBondContact NE2-CZ2 3.41Å
93	I	98.8	Very high	97.1	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	145.1	175.2	-162.5	157.6	0	0	0	110	I8 L9 F95 W164	I8-I93 HydrophobicContact CB-CG2 4.24Å; I8-I93 HydrophobicContact CG1-CG2 3.85Å; I8-I93 HydrophobicContact CG2-CG2 4Å; L9-I93 PolarHBondContact N-O 2.75Å; I93-F95 HydrophobicContact CB-CE2 4.29Å; I93-F95 HydrophobicContact CD1-CE1 3.96Å; I93-F95 HydrophobicContact CD1-CE2 3.83Å; I93-F95 HydrophobicContact CD1-CZ 3.3Å; I93-F95 HydrophobicContact CG1-CD2 4.41Å; I93-F95 HydrophobicContact CG1-CE1 4.19Å; I93-F95 HydrophobicContact CG1-CE2 3.76Å; I93-F95 HydrophobicContact CG1-CZ 3.65Å; I93-F95 HydrophobicContact CG2-CD2 4.22Å; I93-F95 HydrophobicContact CG2-CE2 3.56Å; I93-F95 HydrophobicContact CG2-CZ 4.22Å; I93-W164 HydrophobicContact CB-CH2 3.75Å; I93-W164 HydrophobicContact CB-CZ2 3.55Å; I93-W164 HydrophobicContact CB-CZ3 4.41Å; I93-W164 HydrophobicContact CD1-CD2 3.88Å; I93-W164 VanDerWaalsContact CD1-CE2 3.41Å; I93-W164 HydrophobicContact CD1-CG 4.14Å; I93-W164 HydrophobicContact CD1-CZ2 3.81Å; I93-W164 VanDerWaalsContact CD1-NE1 3.34Å; I93-W164 HydrophobicContact CG1-CZ2 4.31Å; I93-W164 HydrophobicContact CG2-CD2 4.33Å; I93-W164 HydrophobicContact CG2-CE3 4.04Å; I93-W164 HydrophobicContact CG2-CH2 3.32Å; I93-W164 HydrophobicContact CG2-CZ2 3.63Å; I93-W164 HydrophobicContact CG2-CZ3 3.55Å
94	V	98.8	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.9	179.8	179.5	0	0	0	0	108.7	L9 T11 F91 A134 Y138 I142 V143 H144	L9-V94 HydrophobicContact CB-CB 4.4Å; L9-V94 HydrophobicContact CB-CG1 4.21Å; L9-V94 HydrophobicContact CB-CG2 4.09Å; L9-V94 HydrophobicContact CD2-CG1 3.79Å; L9-V94 HydrophobicContact CD2-CG2 4.16Å; L9-V94 HydrophobicContact CG-CG1 4.11Å; T11-V94 HydrophobicContact CG2-CG1 4.22Å; F91-V94 HydrophobicContact CB-CG2 4.16Å; V94-A134 HydrophobicContact CG1-CB 4.38Å; V94-Y138 HydrophobicContact CG1-CD2 4.49Å; V94-Y138 HydrophobicContact CG2-CD1 4Å; V94-Y138 HydrophobicContact CG2-CD2 3.99Å; V94-Y138 HydrophobicContact CG2-CE1 4.31Å; V94-Y138 HydrophobicContact CG2-CE2 4.34Å; V94-Y138 HydrophobicContact CG2-CG 3.84Å; V94-I142 HydrophobicContact CG2-CD1 4.27Å; V94-I142 PolarHBondContact N-O 3.26Å; V94-V143 HydrophobicContact CB-CG2 4.25Å; V94-V143 WeakPolarHBondContact O-CA 3.29Å; V94-H144 PolarHBondContact O-N 2.97Å
95	F	98.8	Very high	97.6	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.5	175.8	-64.7	-73.1	0	0	0	110.8	I8 L9 L10 T11 I93 L97 H144 L146 L161	I8-F95 HydrophobicContact CG2-CD2 3.85Å; I8-F95 HydrophobicContact CG2-CE2 4.08Å; L9-F95 PolarHBondContact O-N 2.9Å; L10-F95 HydrophobicContact CD2-CB 3.89Å; L10-F95 HydrophobicContact CD2-CD2 4Å; L10-F95 HydrophobicContact CD2-CG 4.38Å; T11-F95 PolarHBondContact N-O 2.96Å; I93-F95 HydrophobicContact CB-CE2 4.29Å; I93-F95 HydrophobicContact CD1-CE1 3.96Å; I93-F95 HydrophobicContact CD1-CE2 3.83Å; I93-F95 HydrophobicContact CD1-CZ 3.3Å; I93-F95 HydrophobicContact CG1-CD2 4.41Å; I93-F95 HydrophobicContact CG1-CE1 4.19Å; I93-F95 HydrophobicContact CG1-CE2 3.76Å; I93-F95 HydrophobicContact CG1-CZ 3.65Å; I93-F95 HydrophobicContact CG2-CD2 4.22Å; I93-F95 HydrophobicContact CG2-CE2 3.56Å; I93-F95 HydrophobicContact CG2-CZ 4.22Å; F95-L97 HydrophobicContact CB-CD1 4.31Å; F95-H144 CarbonylContact C-O 3.54Å; F95-H144 VanDerWaalsContact CA-O 3.28Å; F95-H144 WeakPolarHBondContact CA-O 3.48Å; F95-H144 HydrophobicContact CD1-CB 3.85Å; F95-H144 HydrophobicContact CE1-CB 3.97Å; F95-H144 AromaticContact CE1-CD2 4Å; F95-L146 HydrophobicContact CB-CD1 3.74Å; F95-L146 HydrophobicContact CB-CG 4.15Å; F95-L146 HydrophobicContact CD1-CD1 3.6Å; F95-L146 HydrophobicContact CD1-CD2 3.91Å; F95-L146 HydrophobicContact CD1-CG 3.68Å; F95-L146 HydrophobicContact CE1-CD1 4.34Å; F95-L146 HydrophobicContact CE1-CD2 4.23Å; F95-L146 HydrophobicContact CE1-CG 4.46Å; F95-L146 HydrophobicContact CG-CD1 3.75Å; F95-L146 HydrophobicContact CG-CG 4.22Å; F95-L161 HydrophobicContact CD1-CD1 4.31Å; F95-L161 HydrophobicContact CD2-CD1 4.27Å; F95-L161 HydrophobicContact CD2-CD2 3.77Å; F95-L161 HydrophobicContact CD2-CG 4.07Å; F95-L161 HydrophobicContact CE1-CD1 3.88Å; F95-L161 HydrophobicContact CE2-CD1 3.83Å; F95-L161 HydrophobicContact CE2-CD2 3.76Å; F95-L161 HydrophobicContact CE2-CG 3.54Å; F95-L161 HydrophobicContact CG-CD1 4.48Å; F95-L161 HydrophobicContact CG-CD2 4.42Å; F95-L161 HydrophobicContact CZ-CD1 3.6Å; F95-L161 HydrophobicContact CZ-CD2 4.4Å; F95-L161 HydrophobicContact CZ-CG 3.78Å
96	V	98.8	Very high	97.7	Very high	2 Å²	2	45 Å²	45	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105	172.7	-168.3	0	0	0	0	108.5	T11 I130 Y131 A134 V143 H144 Q145 L146	T11-V96 HydrophobicContact CG2-CB 4.33Å; T11-V96 HydrophobicContact CG2-CG1 4.37Å; T11-V96 HydrophobicContact CG2-CG2 3.79Å; T11-V96 WeakPolarHBondContact O-CA 3.48Å; V96-I130 HydrophobicContact CG1-CG2 4.48Å; V96-Y131 HydrophobicContact CB-CD2 4.32Å; V96-Y131 HydrophobicContact CG2-CD2 4.15Å; V96-A134 HydrophobicContact CG2-CB 3.66Å; V96-V143 HydrophobicContact CG2-CG1 4.06Å; V96-H144 PolarHBondContact N-O 3.36Å; V96-Q145 VanDerWaalsContact O-CA 3.29Å; V96-Q145 WeakPolarHBondContact O-CA 3.36Å; V96-L146 PolarHBondContact O-N 2.86Å
97	L	98.8	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.1	177.8	-82	69.5	0	0	0	109.8	L10 T11 V16 K18 L21 F95 L146	L10-L97 HydrophobicContact CD2-CD1 4.42Å; T11-L97 PolarHBondContact O-N 3.43Å; V16-L97 HydrophobicContact CB-CB 4.01Å; V16-L97 HydrophobicContact CG2-CB 3.49Å; V16-L97 VanDerWaalsContact CG2-CB 3.49Å; V16-L97 HydrophobicContact CG2-CD2 4.44Å; K18-L97 HydrophobicContact CG-CD2 4.39Å; L21-L97 HydrophobicContact CB-CD2 4.43Å; L21-L97 HydrophobicContact CD2-CD1 4.07Å; L21-L97 HydrophobicContact CD2-CD2 4Å; L21-L97 HydrophobicContact CD2-CG 4.36Å; F95-L97 HydrophobicContact CB-CD1 4.31Å; L97-L146 WeakPolarHBondContact CA-O 3.36Å; L97-L146 HydrophobicContact CD1-CD1 4.3Å; L97-L146 HydrophobicContact CG-CB 4.4Å
98	R	98.7	Very high	97.7	Very high	43 Å²	43	46 Å²	46	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139	-177.6	-55.6	-56.6	-53.5	-87.3	1	110.3	E125 Q145 L146 S148	R98-E125 IonicContact CZ-OE1 3.31Å; R98-E125 IonicContact NE-OE1 3.36Å; R98-E125 PolarHBondContact NE-OE1 2.94Å; R98-E125 PolarHBondContact NH2-O 2.93Å; R98-E125 IonicContact NH2-OE1 2.51Å; R98-E125 PolarHBondContact NH2-OE1 3.24Å; R98-Q145 HydrophobicContact CG-CB 4.08Å; R98-Q145 HydrophobicContact CG-CG 4.28Å; R98-L146 PolarHBondContact N-O 3.34Å; R98-S148 PolarHBondContact O-N 3.45Å
99	T	98.5	Very high	97.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.031	22%	0.217	C	C	.	.			trans	-136.7	139	178.9	-58.2	0	0	0	0	109.7	V16 N101 Q103 L104 R107 E125 S148 N149	V16-T99 WeakPolarHBondContact CA-OG1 3.32Å; V16-T99 WeakPolarHBondContact CB-OG1 3.22Å; V16-T99 PolarHBondContact O-OG1 3.16Å; T99-N101 PolarHBondContact O-N 3.09Å; T99-Q103 HydrophobicContact CG2-CB 3.96Å; T99-L104 HydrophobicContact CG2-CB 4.04Å; T99-R107 PolarHBondContact OG1-NH1 2.94Å; T99-E125 PolarHBondContact N-OE1 2.92Å; T99-S148 PolarHBondContact OG1-O 3.42Å; T99-S148 VanDerWaalsContact OG1-O 3.06Å; T99-N149 WeakPolarHBondContact CA-OD1 3.3Å; T99-N149 WeakPolarHBondContact CG2-OD1 3.38Å
100	D	97.7	Very high	97.8	Very high	89 Å²	89	44.3 Å²	44.3	48%	0.476	22%	0.221	S	C	.	.			trans	-56.6	134.2	175.6	-64.2	-37.8	0	0	0	110.6	T102 Q103 L104 N149	D100-T102 VanDerWaalsContact C-N 3.27Å; D100-T102 PolarHBondContact O-N 2.83Å; D100-T102 VanDerWaalsContact O-N 3.11Å; D100-Q103 HydrophobicContact CB-CG 4.27Å; D100-Q103 WeakPolarHBondContact O-CA 3.22Å; D100-Q103 WeakPolarHBondContact O-CB 3.3Å; D100-Q103 PolarHBondContact O-N 2.87Å; D100-Q103 PolarHBondContact OD2-NE2 3.41Å; D100-L104 PolarHBondContact O-N 2.93Å; D100-N149 PolarHBondContact N-OD1 2.85Å; D100-N149 PolarHBondContact OD2-ND2 3.49Å; D100-N149 PolarHBondContact OD2-OD1 3.5Å
101	N	94.4	Very high	97.6	Very high	66 Å²	66	50.8 Å²	50.8	35%	0.353	25%	0.245	S	C	.	.	H	α-helix	trans	-52.2	-41.7	-172.8	-59.4	-34.7	0	0	0	113.8	T99 Q103 L104 Y105 I126	T99-N101 PolarHBondContact O-N 3.09Å; N101-Q103 VanDerWaalsContact C-N 3.33Å; N101-Q103 PolarHBondContact O-N 3.23Å; N101-L104 PolarHBondContact O-N 2.94Å; N101-Y105 VanDerWaalsContact O-CB 3.29Å; N101-Y105 WeakPolarHBondContact O-CB 3.03Å; N101-Y105 PolarHBondContact O-N 3.01Å; N101-I126 HydrophobicContact CB-CG1 4.46Å; N101-I126 VanDerWaalsContact CG-CG1 3.49Å; N101-I126 WeakPolarHBondContact ND2-CG1 3.5Å; N101-I126 WeakPolarHBondContact OD1-CG1 3.2Å
102	T	94.5	Very high	97.4	Very high	117 Å²	117	52.8 Å²	52.8	72%	0.718	27%	0.269	S	S	*	.	H	α-helix	trans	-63.5	-41.1	179	-50.3	0	0	0	0	111.4	D100 T106	D100-T102 VanDerWaalsContact C-N 3.27Å; D100-T102 PolarHBondContact O-N 2.83Å; D100-T102 VanDerWaalsContact O-N 3.11Å; T102-T106 PolarHBondContact O-N 2.83Å; T102-T106 PolarHBondContact O-OG1 3.23Å
103	Q	96.9	Very high	97.2	Very high	69 Å²	69	52.4 Å²	52.4	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-72.9	-41.5	179.4	-59.9	-169.3	68	0	0	110.9	T99 D100 N101 Y105 T106 R107 N149	T99-Q103 HydrophobicContact CG2-CB 3.96Å; D100-Q103 HydrophobicContact CB-CG 4.27Å; D100-Q103 WeakPolarHBondContact O-CA 3.22Å; D100-Q103 WeakPolarHBondContact O-CB 3.3Å; D100-Q103 PolarHBondContact O-N 2.87Å; D100-Q103 PolarHBondContact OD2-NE2 3.41Å; N101-Q103 VanDerWaalsContact C-N 3.33Å; N101-Q103 PolarHBondContact O-N 3.23Å; Q103-Y105 VanDerWaalsContact C-N 3.33Å; Q103-Y105 PolarHBondContact O-N 3.43Å; Q103-T106 PolarHBondContact O-N 2.66Å; Q103-R107 VanDerWaalsContact O-CG 3.28Å; Q103-R107 WeakPolarHBondContact O-CG 3.07Å; Q103-R107 PolarHBondContact O-N 2.81Å; Q103-N149 PolarHBondContact NE2-OD1 2.81Å; Q103-N149 PolarHBondContact OE1-O 3.42Å; Q103-N149 VanDerWaalsContact OE1-O 3.08Å
104	L	97.9	Very high	96.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-42.9	176.1	-173.5	62.7	0	0	0	111.3	T13 P14 G15 V16 T99 D100 N101 R107 L108 E125	T13-L104 HydrophobicContact CG2-CD2 4.04Å; P14-L104 WeakPolarHBondContact O-CD1 3.29Å; G15-L104 VanDerWaalsContact C-CD1 3.46Å; V16-L104 HydrophobicContact CG1-CD1 4.1Å; T99-L104 HydrophobicContact CG2-CB 4.04Å; D100-L104 PolarHBondContact O-N 2.93Å; N101-L104 PolarHBondContact O-N 2.94Å; L104-R107 PolarHBondContact O-N 3.34Å; L104-L108 HydrophobicContact CD1-CD1 4.21Å; L104-L108 HydrophobicContact CD1-CG 4.34Å; L104-L108 HydrophobicContact CD2-CD1 4.49Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.43Å; L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 2.86Å; L104-E125 HydrophobicContact CD2-CB 3.43Å; L104-E125 VanDerWaalsContact CD2-CB 3.43Å; L104-E125 HydrophobicContact CD2-CG 3.62Å
105	Y	97.9	Very high	96.6	Very high	94 Å²	94	59.7 Å²	59.7	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-55.3	-53.5	174.4	-178.2	-77.4	0	0	0	110.9	N101 Q103 R107 L108 E109 L118 V122	N101-Y105 VanDerWaalsContact O-CB 3.29Å; N101-Y105 WeakPolarHBondContact O-CB 3.03Å; N101-Y105 PolarHBondContact O-N 3.01Å; Q103-Y105 VanDerWaalsContact C-N 3.33Å; Q103-Y105 PolarHBondContact O-N 3.43Å; Y105-R107 VanDerWaalsContact C-N 3.34Å; Y105-R107 PolarHBondContact O-N 2.51Å; Y105-L108 PolarHBondContact O-N 3.46Å; Y105-E109 HydrophobicContact CE1-CB 4.27Å; Y105-E109 WeakPolarHBondContact CE1-OE1 3.35Å; Y105-E109 WeakPolarHBondContact O-CB 3.4Å; Y105-E109 PolarHBondContact O-N 2.7Å; Y105-E109 PolarHBondContact OH-OE1 3.31Å; Y105-L118 HydrophobicContact CD2-CD1 4.49Å; Y105-L118 HydrophobicContact CD2-CD2 4.21Å; Y105-L118 HydrophobicContact CD2-CG 4.28Å; Y105-L118 HydrophobicContact CE1-CD2 4.3Å; Y105-L118 HydrophobicContact CE2-CD2 3.51Å; Y105-L118 HydrophobicContact CE2-CG 3.98Å; Y105-V122 HydrophobicContact CD2-CG2 4.11Å
106	T	97.4	Very high	96.3	Very high	65 Å²	65	64.5 Å²	64.5	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-45.3	178.6	-59.3	0	0	0	0	111.5	T102 Q103 L108 E109 D110	T102-T106 PolarHBondContact O-N 2.83Å; T102-T106 PolarHBondContact O-OG1 3.23Å; Q103-T106 PolarHBondContact O-N 2.66Å; T106-L108 VanDerWaalsContact C-N 3.3Å; T106-L108 PolarHBondContact O-N 3.41Å; T106-E109 PolarHBondContact O-N 3.3Å; T106-D110 WeakPolarHBondContact O-CB 3.38Å; T106-D110 VanDerWaalsContact O-CG 3.26Å; T106-D110 PolarHBondContact O-N 2.98Å
107	R	97.9	Very high	95.9	Very high	66 Å²	66	68.7 Å²	68.7	25%	0.249	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-37	179	-71.4	174.4	-176.1	-175.5	4.7	113.1	G15 V16 T99 Q103 L104 Y105 R111 S148 N149	G15-R107 WeakPolarHBondContact O-CD 3.22Å; G15-R107 PolarHBondContact O-NH1 3.4Å; V16-R107 PolarHBondContact O-NH1 3.48Å; V16-R107 VanDerWaalsContact O-NH1 3.1Å; T99-R107 PolarHBondContact OG1-NH1 2.94Å; Q103-R107 VanDerWaalsContact O-CG 3.28Å; Q103-R107 WeakPolarHBondContact O-CG 3.07Å; Q103-R107 PolarHBondContact O-N 2.81Å; L104-R107 PolarHBondContact O-N 3.34Å; Y105-R107 VanDerWaalsContact C-N 3.34Å; Y105-R107 PolarHBondContact O-N 2.51Å; R107-R111 WeakPolarHBondContact O-CD 3.2Å; R107-R111 VanDerWaalsContact O-CG 3.24Å; R107-R111 WeakPolarHBondContact O-CG 3.44Å; R107-R111 PolarHBondContact O-N 3.49Å; R107-S148 PolarHBondContact NH1-O 3.44Å; R107-S148 PolarHBondContact NH2-O 3.48Å; R107-N149 VanDerWaalsContact NH2-C 3.31Å; R107-N149 PolarHBondContact NH2-O 3.34Å
108	L	97.3	Very high	95.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-76.6	-40.2	178.8	-70.5	169.8	0	0	0	111.5	P14 L104 Y105 T106 R111 G112 Y113 L118 N121 V122	P14-L108 WeakPolarHBondContact O-CD2 3.31Å; L104-L108 HydrophobicContact CD1-CD1 4.21Å; L104-L108 HydrophobicContact CD1-CG 4.34Å; L104-L108 HydrophobicContact CD2-CD1 4.49Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.43Å; L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 2.86Å; Y105-L108 PolarHBondContact O-N 3.46Å; T106-L108 VanDerWaalsContact C-N 3.3Å; T106-L108 PolarHBondContact O-N 3.41Å; L108-R111 WeakPolarHBondContact O-CB 3.46Å; L108-R111 PolarHBondContact O-N 2.66Å; L108-R111 VanDerWaalsContact O-N 3.13Å; L108-G112 PolarHBondContact O-N 3.24Å; L108-Y113 HydrophobicContact CB-CD2 4.48Å; L108-Y113 HydrophobicContact CD2-CD2 3.86Å; L108-Y113 HydrophobicContact CD2-CE2 3.97Å; L108-Y113 HydrophobicContact CD2-CG 4.44Å; L108-Y113 WeakPolarHBondContact O-CB 3.19Å; L108-Y113 PolarHBondContact O-N 3.21Å; L108-L118 HydrophobicContact CB-CD1 3.34Å; L108-L118 HydrophobicContact CD1-CD1 4.28Å; L108-L118 HydrophobicContact CG-CD1 4.46Å; L108-N121 HydrophobicContact CD1-CB 3.72Å; L108-V122 HydrophobicContact CD1-CG2 4.2Å
109	E	97.1	Very high	95.5	Very high	95 Å²	95	72.9 Å²	72.9	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-44.2	173.5	-172.9	173.3	-112.5	0	0	111.2	Y105 T106 R111 G112	Y105-E109 HydrophobicContact CE1-CB 4.27Å; Y105-E109 WeakPolarHBondContact CE1-OE1 3.35Å; Y105-E109 WeakPolarHBondContact O-CB 3.4Å; Y105-E109 PolarHBondContact O-N 2.7Å; Y105-E109 PolarHBondContact OH-OE1 3.31Å; T106-E109 PolarHBondContact O-N 3.3Å; E109-R111 PolarHBondContact O-N 2.93Å; E109-G112 WeakPolarHBondContact O-CA 3.45Å; E109-G112 PolarHBondContact O-N 2.85Å
110	D	97.4	Very high	95.3	Very high	129 Å²	129	74.4 Å²	74.4	69%	0.69	39%	0.389	S	S	*	.	H	α-helix	trans	-62.9	-26.1	175.4	-73.7	-21.1	0	0	0	112.9	T106 G112	T106-D110 WeakPolarHBondContact O-CB 3.38Å; T106-D110 VanDerWaalsContact O-CG 3.26Å; T106-D110 PolarHBondContact O-N 2.98Å; D110-G112 PolarHBondContact O-N 3.38Å
111	R	94.7	Very high	95.3	Very high	138 Å²	138	71.3 Å²	71.3	52%	0.521	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1.5	171.6	-70.2	170.7	-174.9	-148.8	-0.7	113	R107 L108 E109 Y113	R107-R111 WeakPolarHBondContact O-CD 3.2Å; R107-R111 VanDerWaalsContact O-CG 3.24Å; R107-R111 WeakPolarHBondContact O-CG 3.44Å; R107-R111 PolarHBondContact O-N 3.49Å; L108-R111 WeakPolarHBondContact O-CB 3.46Å; L108-R111 PolarHBondContact O-N 2.66Å; L108-R111 VanDerWaalsContact O-N 3.13Å; E109-R111 PolarHBondContact O-N 2.93Å; R111-Y113 HydrophobicContact CB-CD1 4.21Å; R111-Y113 HydrophobicContact CB-CE1 4.44Å
112	G	95.3	Very high	95.4	Very high	53 Å²	53	69 Å²	69	55%	0.546	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	14	-179.5	0	0	0	0	0	114.3	L108 E109 D110	L108-G112 PolarHBondContact O-N 3.24Å; E109-G112 WeakPolarHBondContact O-CA 3.45Å; E109-G112 PolarHBondContact O-N 2.85Å; D110-G112 PolarHBondContact O-N 3.38Å
113	Y	93.8	Very high	95.5	Very high	61 Å²	61	67.9 Å²	67.9	24%	0.239	35%	0.347	C	S	.	.			trans	-72.1	133.4	174.9	-75.3	29.9	0	0	0	108.3	L108 R111 K117	L108-Y113 HydrophobicContact CB-CD2 4.48Å; L108-Y113 HydrophobicContact CD2-CD2 3.86Å; L108-Y113 HydrophobicContact CD2-CE2 3.97Å; L108-Y113 HydrophobicContact CD2-CG 4.44Å; L108-Y113 WeakPolarHBondContact O-CB 3.19Å; L108-Y113 PolarHBondContact O-N 3.21Å; R111-Y113 HydrophobicContact CB-CD1 4.21Å; R111-Y113 HydrophobicContact CB-CE1 4.44Å; Y113-K117 HydrophobicContact CD2-CD 4Å; Y113-K117 HydrophobicContact CD2-CG 3.86Å; Y113-K117 HydrophobicContact CE2-CD 4Å; Y113-K117 VanDerWaalsContact CE2-CE 3.41Å; Y113-K117 HydrophobicContact CE2-CG 4.08Å; Y113-K117 HydrophobicContact CG-CD 4.38Å
114	T	92.4	Very high	95.5	Very high	108 Å²	108	66 Å²	66	66%	0.663	34%	0.341	S	S	*	.			trans	-139.3	165.9	-177.4	57.7	0	0	0	0	110.7	K116	T114-K116 PolarHBondContact O-N 3.35Å
115	G	92.3	Very high	95.5	Very high	50 Å²	50	66.2 Å²	66.2	52%	0.515	34%	0.342	S	S	.	.	H	α-helix	trans	55.9	-135.1	173.4	0	0	0	0	0	113.2	K117 L118 Q119	G115-K117 PolarHBondContact O-N 2.88Å; G115-L118 PolarHBondContact O-N 3.34Å; G115-Q119 PolarHBondContact O-N 2.62Å
116	K	91.6	Very high	95.5	Very high	105 Å²	105	65.6 Å²	65.6	46%	0.457	34%	0.344	S	S	.	.	H	α-helix	trans	-59.7	-46.7	-175	176.3	165.2	-179.8	172.1	0	112.9	E52 T114 L118 Q119 D120	E52-K116 WeakPolarHBondContact OE1-CE 3.35Å; E52-K116 IonicContact OE1-NZ 2.75Å; E52-K116 PolarHBondContact OE1-NZ 3.37Å; T114-K116 PolarHBondContact O-N 3.35Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.85Å; K116-Q119 WeakPolarHBondContact O-CB 3.43Å; K116-Q119 PolarHBondContact O-N 3.41Å; K116-D120 WeakPolarHBondContact CE-OD2 3.45Å; K116-D120 WeakPolarHBondContact CG-OD2 3.29Å; K116-D120 PolarHBondContact O-N 2.96Å
117	K	91.3	Very high	95.5	Very high	89 Å²	89	68.6 Å²	68.6	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-55.9	-41.3	180	-172.6	176.2	-171.9	173.3	0	113.1	Y113 G115 N121	Y113-K117 HydrophobicContact CD2-CD 4Å; Y113-K117 HydrophobicContact CD2-CG 3.86Å; Y113-K117 HydrophobicContact CE2-CD 4Å; Y113-K117 VanDerWaalsContact CE2-CE 3.41Å; Y113-K117 HydrophobicContact CE2-CG 4.08Å; Y113-K117 HydrophobicContact CG-CD 4.38Å; G115-K117 PolarHBondContact O-N 2.88Å; K117-N121 PolarHBondContact O-N 3.08Å; K117-N121 PolarHBondContact O-ND2 3.41Å
118	L	94.4	Very high	95.5	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-46.5	176.6	-179.8	64.7	0	0	0	111.1	Y105 L108 G115 K116 V122	Y105-L118 HydrophobicContact CD2-CD1 4.49Å; Y105-L118 HydrophobicContact CD2-CD2 4.21Å; Y105-L118 HydrophobicContact CD2-CG 4.28Å; Y105-L118 HydrophobicContact CE1-CD2 4.3Å; Y105-L118 HydrophobicContact CE2-CD2 3.51Å; Y105-L118 HydrophobicContact CE2-CG 3.98Å; L108-L118 HydrophobicContact CB-CD1 3.34Å; L108-L118 HydrophobicContact CD1-CD1 4.28Å; L108-L118 HydrophobicContact CG-CD1 4.46Å; G115-L118 PolarHBondContact O-N 3.34Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.85Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 3.16Å; L118-V122 VanDerWaalsContact O-N 3.12Å
119	Q	94.9	Very high	95.6	Very high	125 Å²	125	72 Å²	72	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-46.2	179.7	-69.3	178.4	-16.2	0	0	111.7	G115 K116 N121 V122 Q123	G115-Q119 PolarHBondContact O-N 2.62Å; K116-Q119 WeakPolarHBondContact O-CB 3.43Å; K116-Q119 PolarHBondContact O-N 3.41Å; Q119-N121 PolarHBondContact O-N 3.11Å; Q119-V122 PolarHBondContact O-N 3.45Å; Q119-Q123 WeakPolarHBondContact O-CB 3.31Å; Q119-Q123 WeakPolarHBondContact O-CG 3.38Å; Q119-Q123 PolarHBondContact O-N 3.06Å
120	D	95.2	Very high	95.6	Very high	36 Å²	36	68 Å²	68	19%	0.193	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-41.5	-177.9	-63.7	-15.6	0	0	0	111.3	Y53 K116 Q123 C124	Y53-D120 VanDerWaalsContact CE1-OD2 3.31Å; Y53-D120 WeakPolarHBondContact CE1-OD2 3.28Å; Y53-D120 PolarHBondContact OH-OD2 3.43Å; K116-D120 WeakPolarHBondContact CE-OD2 3.45Å; K116-D120 WeakPolarHBondContact CG-OD2 3.29Å; K116-D120 PolarHBondContact O-N 2.96Å; D120-Q123 PolarHBondContact O-N 2.75Å; D120-C124 WeakPolarHBondContact O-CB 3.15Å; D120-C124 PolarHBondContact O-N 2.9Å
121	N	95.8	Very high	95.7	Very high	25 Å²	25	64.6 Å²	64.6	13%	0.134	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-40.2	176.5	-81.4	-90.5	0	0	0	112.1	T13 P14 L108 K117 Q119 Q123 C124 E125	T13-N121 HydrophobicContact CG2-CB 4.45Å; T13-N121 VanDerWaalsContact CG2-O 3.22Å; T13-N121 WeakPolarHBondContact CG2-O 3.2Å; P14-N121 WeakPolarHBondContact CB-OD1 3.45Å; P14-N121 VanDerWaalsContact CD-OD1 3.32Å; P14-N121 WeakPolarHBondContact CD-OD1 3.46Å; P14-N121 WeakPolarHBondContact CG-OD1 3.38Å; L108-N121 HydrophobicContact CD1-CB 3.72Å; K117-N121 PolarHBondContact O-N 3.08Å; K117-N121 PolarHBondContact O-ND2 3.41Å; Q119-N121 PolarHBondContact O-N 3.11Å; N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-C124 WeakPolarHBondContact O-CB 3.07Å; N121-C124 PolarHBondContact O-N 3.45Å; N121-E125 PolarHBondContact O-N 3.29Å
122	V	96.9	Very high	95.9	Very high	18 Å²	18	63.1 Å²	63.1	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-37.3	176.2	173.2	0	0	0	0	111.1	Y105 L108 L118 Q119 E125 I126	Y105-V122 HydrophobicContact CD2-CG2 4.11Å; L108-V122 HydrophobicContact CD1-CG2 4.2Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 3.16Å; L118-V122 VanDerWaalsContact O-N 3.12Å; Q119-V122 PolarHBondContact O-N 3.45Å; V122-E125 PolarHBondContact O-N 3.37Å; V122-I126 HydrophobicContact CG1-CD1 3.92Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.46Å; V122-I126 PolarHBondContact O-N 3.33Å
123	Q	97.4	Very high	96	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.1	-75.9	-177.4	-36	0	0	112.4	Q119 D120 N121 E125 I126 F127	Q119-Q123 WeakPolarHBondContact O-CB 3.31Å; Q119-Q123 WeakPolarHBondContact O-CG 3.38Å; Q119-Q123 PolarHBondContact O-N 3.06Å; D120-Q123 PolarHBondContact O-N 2.75Å; N121-Q123 VanDerWaalsContact C-N 3.33Å; Q123-E125 VanDerWaalsContact C-N 3.26Å; Q123-E125 PolarHBondContact O-N 3.06Å; Q123-I126 PolarHBondContact O-N 2.96Å; Q123-I126 VanDerWaalsContact O-N 3.16Å; Q123-F127 HydrophobicContact CB-CD2 4.22Å; Q123-F127 HydrophobicContact CB-CE2 4.02Å; Q123-F127 HydrophobicContact CG-CE2 4.42Å; Q123-F127 WeakPolarHBondContact O-CB 3.46Å; Q123-F127 WeakPolarHBondContact O-CD2 3.47Å; Q123-F127 WeakPolarHBondContact O-CG 3.47Å; Q123-F127 PolarHBondContact O-N 3.1Å
124	C	97.1	Very high	96.2	Very high	28 Å²	28	59.5 Å²	59.5	19%	0.189	31%	0.305	C	S	.	.	H	α-helix	trans	-53.7	-43.8	173.1	177.6	0	0	0	0	111.5	T13 D120 N121 Q128 T129	T13-C124 HydrophobicContact CG2-CB 4.23Å; D120-C124 WeakPolarHBondContact O-CB 3.15Å; D120-C124 PolarHBondContact O-N 2.9Å; N121-C124 WeakPolarHBondContact O-CB 3.07Å; N121-C124 PolarHBondContact O-N 3.45Å; C124-Q128 PolarHBondContact O-N 3.45Å; C124-Q128 VanDerWaalsContact O-N 3.11Å; C124-T129 PolarHBondContact O-N 3.24Å; C124-T129 VanDerWaalsContact O-N 3.12Å
125	E	98.2	Very high	96.5	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.023	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-43.3	175.9	-176	61.4	-152.4	0	0	112.7	T13 R98 T99 L104 N121 V122 Q123 F127 Q128	T13-E125 VanDerWaalsContact CB-OE2 3.27Å; T13-E125 WeakPolarHBondContact CB-OE2 3.39Å; T13-E125 HydrophobicContact CG2-CB 4.21Å; T13-E125 PolarHBondContact OG1-OE2 3.12Å; R98-E125 IonicContact CZ-OE1 3.31Å; R98-E125 IonicContact NE-OE1 3.36Å; R98-E125 PolarHBondContact NE-OE1 2.94Å; R98-E125 PolarHBondContact NH2-O 2.93Å; R98-E125 IonicContact NH2-OE1 2.51Å; R98-E125 PolarHBondContact NH2-OE1 3.24Å; T99-E125 PolarHBondContact N-OE1 2.92Å; L104-E125 HydrophobicContact CD2-CB 3.43Å; L104-E125 VanDerWaalsContact CD2-CB 3.43Å; L104-E125 HydrophobicContact CD2-CG 3.62Å; N121-E125 PolarHBondContact O-N 3.29Å; V122-E125 PolarHBondContact O-N 3.37Å; Q123-E125 VanDerWaalsContact C-N 3.26Å; Q123-E125 PolarHBondContact O-N 3.06Å; E125-F127 VanDerWaalsContact C-N 3.31Å; E125-F127 PolarHBondContact O-N 3.26Å; E125-Q128 PolarHBondContact O-N 3.04Å; E125-Q128 VanDerWaalsContact O-N 3.08Å
126	I	97.4	Very high	96.8	Very high	81 Å²	81	62.5 Å²	62.5	42%	0.415	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-44.1	178.6	-71.7	164.1	0	0	0	111.1	N101 V122 Q123 Q128	N101-I126 HydrophobicContact CB-CG1 4.46Å; N101-I126 VanDerWaalsContact CG-CG1 3.49Å; N101-I126 WeakPolarHBondContact ND2-CG1 3.5Å; N101-I126 WeakPolarHBondContact OD1-CG1 3.2Å; V122-I126 HydrophobicContact CG1-CD1 3.92Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.46Å; V122-I126 PolarHBondContact O-N 3.33Å; Q123-I126 PolarHBondContact O-N 2.96Å; Q123-I126 VanDerWaalsContact O-N 3.16Å; I126-Q128 PolarHBondContact O-N 3.22Å
127	F	97.9	Very high	97.1	Very high	128 Å²	128	59 Å²	59	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.1	179.6	-61.3	-43.3	0	0	0	113.3	Q123 E125 T129	Q123-F127 HydrophobicContact CB-CD2 4.22Å; Q123-F127 HydrophobicContact CB-CE2 4.02Å; Q123-F127 HydrophobicContact CG-CE2 4.42Å; Q123-F127 WeakPolarHBondContact O-CB 3.46Å; Q123-F127 WeakPolarHBondContact O-CD2 3.47Å; Q123-F127 WeakPolarHBondContact O-CG 3.47Å; Q123-F127 PolarHBondContact O-N 3.1Å; E125-F127 VanDerWaalsContact C-N 3.31Å; E125-F127 PolarHBondContact O-N 3.26Å; F127-T129 PolarHBondContact O-N 3.43Å
128	Q	98.1	Very high	97.4	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	28.8	178.1	-36.3	-169	47.3	0	0	112.9	C124 E125 I126 I130 Y131 E132	C124-Q128 PolarHBondContact O-N 3.45Å; C124-Q128 VanDerWaalsContact O-N 3.11Å; E125-Q128 PolarHBondContact O-N 3.04Å; E125-Q128 VanDerWaalsContact O-N 3.08Å; I126-Q128 PolarHBondContact O-N 3.22Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.32Å; Q128-Y131 HydrophobicContact CB-CD1 4.45Å; Q128-Y131 WeakPolarHBondContact O-CA 3.31Å; Q128-Y131 WeakPolarHBondContact O-CB 3.36Å; Q128-Y131 PolarHBondContact O-N 2.85Å; Q128-E132 PolarHBondContact O-N 3.44Å
129	T	98.2	Very high	97.6	Very high	60 Å²	60	57.1 Å²	57.1	37%	0.368	29%	0.286	S	S	.	.	H	α-helix	trans	-53.6	-46.6	-170.5	-57.4	0	0	0	0	112	C124 F127 Y131 E132 E133	C124-T129 PolarHBondContact O-N 3.24Å; C124-T129 VanDerWaalsContact O-N 3.12Å; F127-T129 PolarHBondContact O-N 3.43Å; T129-Y131 VanDerWaalsContact C-N 3.32Å; T129-Y131 PolarHBondContact O-N 2.8Å; T129-E132 PolarHBondContact O-N 3.49Å; T129-E133 WeakPolarHBondContact O-CB 3.22Å; T129-E133 PolarHBondContact O-N 3.31Å
130	I	98.3	Very high	97.7	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.062	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-27.6	-179.9	-54.2	-50.2	0	0	0	112.9	T11 H81 V96 Q128 A134	T11-I130 HydrophobicContact CG2-CG2 4.04Å; T11-I130 VanDerWaalsContact OG1-CG2 3.27Å; T11-I130 WeakPolarHBondContact OG1-CG2 3.44Å; H81-I130 VanDerWaalsContact O-CD1 3.27Å; H81-I130 WeakPolarHBondContact O-CD1 3.42Å; H81-I130 WeakPolarHBondContact O-CG2 3.16Å; V96-I130 HydrophobicContact CG1-CG2 4.48Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.32Å; I130-A134 WeakPolarHBondContact O-CB 3.32Å; I130-A134 PolarHBondContact O-N 3.33Å; I130-A134 VanDerWaalsContact O-N 3.1Å
131	Y	98.6	Very high	97.8	Very high	57 Å²	57	64.1 Å²	64.1	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-71.2	-44.3	174.2	172.1	-113	0	0	0	111	V96 Q128 T129 A134 M135 V143 Q145	V96-Y131 HydrophobicContact CB-CD2 4.32Å; V96-Y131 HydrophobicContact CG2-CD2 4.15Å; Q128-Y131 HydrophobicContact CB-CD1 4.45Å; Q128-Y131 WeakPolarHBondContact O-CA 3.31Å; Q128-Y131 WeakPolarHBondContact O-CB 3.36Å; Q128-Y131 PolarHBondContact O-N 2.85Å; T129-Y131 VanDerWaalsContact C-N 3.32Å; T129-Y131 PolarHBondContact O-N 2.8Å; Y131-A134 PolarHBondContact O-N 3.13Å; Y131-M135 HydrophobicContact CD2-CG 4.18Å; Y131-M135 HydrophobicContact CE1-CG 4.16Å; Y131-M135 HydrophobicContact CE2-CG 3.69Å; Y131-M135 HydrophobicContact CE2-SD 3.91Å; Y131-M135 VanDerWaalsContact O-CG 3.27Å; Y131-M135 WeakPolarHBondContact O-CG 3.3Å; Y131-M135 PolarHBondContact O-N 2.86Å; Y131-V143 HydrophobicContact CE2-CG1 4.42Å; Y131-Q145 HydrophobicContact CD2-CG 3.5Å; Y131-Q145 VanDerWaalsContact CE2-CD 3.47Å; Y131-Q145 HydrophobicContact CE2-CG 3.42Å; Y131-Q145 VanDerWaalsContact CE2-CG 3.42Å; Y131-Q145 VanDerWaalsContact CE2-NE2 3.33Å; Y131-Q145 HydrophobicContact CG-CG 4.33Å; Y131-Q145 PolarHBondContact OH-NE2 3.44Å
132	E	98.4	Very high	97.9	Very high	108 Å²	108	64.5 Å²	64.5	51%	0.505	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-45	175.4	-67	-177.9	169.3	0	0	110.8	Q128 T129 A134 M135 E136	Q128-E132 PolarHBondContact O-N 3.44Å; T129-E132 PolarHBondContact O-N 3.49Å; E132-A134 VanDerWaalsContact C-N 3.35Å; E132-A134 PolarHBondContact O-N 3.1Å; E132-M135 PolarHBondContact O-N 3.44Å; E132-M135 VanDerWaalsContact O-N 3.1Å; E132-E136 WeakPolarHBondContact O-CG 3.17Å; E132-E136 PolarHBondContact O-N 3.11Å
133	E	98.4	Very high	98	Very high	38 Å²	38	64.1 Å²	64.1	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-55.9	-45.9	175	-169.5	-171	116.4	0	0	112.3	G82 C83 D84 T129 M135 E136 A137	G82-E133 WeakPolarHBondContact CA-OE1 3.48Å; C83-E133 PolarHBondContact N-OE1 3.08Å; C83-E133 PolarHBondContact SG-OE1 3.14Å; D84-E133 HydrophobicContact CB-CG 4.04Å; D84-E133 PolarHBondContact N-OE1 3.5Å; T129-E133 WeakPolarHBondContact O-CB 3.22Å; T129-E133 PolarHBondContact O-N 3.31Å; E133-M135 VanDerWaalsContact C-N 3.33Å; E133-M135 PolarHBondContact O-N 2.81Å; E133-E136 PolarHBondContact O-N 3.29Å; E133-A137 VanDerWaalsContact O-CB 3.32Å; E133-A137 WeakPolarHBondContact O-CB 3.27Å; E133-A137 PolarHBondContact O-N 3.36Å
134	A	98.4	Very high	98.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-35.9	177.2	0	0	0	0	0	112.8	T11 V94 V96 I130 Y131 E132 E136 Y138 V143	T11-A134 HydrophobicContact CG2-CB 4.41Å; V94-A134 HydrophobicContact CG1-CB 4.38Å; V96-A134 HydrophobicContact CG2-CB 3.66Å; I130-A134 WeakPolarHBondContact O-CB 3.32Å; I130-A134 PolarHBondContact O-N 3.33Å; I130-A134 VanDerWaalsContact O-N 3.1Å; Y131-A134 PolarHBondContact O-N 3.13Å; E132-A134 VanDerWaalsContact C-N 3.35Å; E132-A134 PolarHBondContact O-N 3.1Å; A134-E136 VanDerWaalsContact C-N 3.31Å; A134-Y138 WeakPolarHBondContact O-CD2 3.24Å; A134-Y138 PolarHBondContact O-N 2.85Å; A134-Y138 VanDerWaalsContact O-N 3.08Å; A134-V143 HydrophobicContact CB-CG1 4.11Å
135	M	98.3	Very high	98.2	Very high	50 Å²	50	65.8 Å²	65.8	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-71.2	-27.1	176.7	-70.4	-66.4	-63.2	0	0	112.6	Y131 E132 E133 E140 V143	Y131-M135 HydrophobicContact CD2-CG 4.18Å; Y131-M135 HydrophobicContact CE1-CG 4.16Å; Y131-M135 HydrophobicContact CE2-CG 3.69Å; Y131-M135 HydrophobicContact CE2-SD 3.91Å; Y131-M135 VanDerWaalsContact O-CG 3.27Å; Y131-M135 WeakPolarHBondContact O-CG 3.3Å; Y131-M135 PolarHBondContact O-N 2.86Å; E132-M135 PolarHBondContact O-N 3.44Å; E132-M135 VanDerWaalsContact O-N 3.1Å; E133-M135 VanDerWaalsContact C-N 3.33Å; E133-M135 PolarHBondContact O-N 2.81Å; M135-E140 HydrophobicContact CE-CB 3.88Å; M135-E140 HydrophobicContact CE-CG 3.54Å; M135-V143 HydrophobicContact CG-CG1 4.4Å; M135-V143 HydrophobicContact SD-CB 3.89Å; M135-V143 HydrophobicContact SD-CG1 3.76Å; M135-V143 HydrophobicContact SD-CG2 4.48Å
136	E	98	Very high	98.2	Very high	170 Å²	170	65.8 Å²	65.8	79%	0.794	32%	0.322	S	S	*	.	H	α-helix	trans	-81.1	-35.6	174.8	-70.8	-179.1	179.8	0	0	112.3	E132 E133 A134	E132-E136 WeakPolarHBondContact O-CG 3.17Å; E132-E136 PolarHBondContact O-N 3.11Å; E133-E136 PolarHBondContact O-N 3.29Å; A134-E136 VanDerWaalsContact C-N 3.31Å
137	A	97.6	Very high	98.2	Very high	31 Å²	31	65 Å²	65	26%	0.256	32%	0.323	S	S	.	.	H	α-helix	trans	-84.1	-24.2	-175.9	0	0	0	0	0	114.3	E133	E133-A137 VanDerWaalsContact O-CB 3.32Å; E133-A137 WeakPolarHBondContact O-CB 3.27Å; E133-A137 PolarHBondContact O-N 3.36Å
138	Y	98.3	Very high	98.3	Very high	8 Å²	8	59.4 Å²	59.4	3%	0.031	30%	0.299	C	S	.	.	S	Bend	trans	-132.8	154.8	-174.2	-56.7	-82.2	0	0	0	112.5	L9 C83 E88 F91 V94 A134 E140 I142	L9-Y138 HydrophobicContact CD2-CE2 3.98Å; C83-Y138 HydrophobicContact CB-CE2 3.91Å; C83-Y138 PolarHBondContact O-OH 2.7Å; E88-Y138 HydrophobicContact CG-CD1 3.97Å; F91-Y138 AromaticContact CD2-CE1 3.62Å; F91-Y138 HydrophobicContact CD2-CE1 3.62Å; F91-Y138 AromaticContact CD2-CZ 3.88Å; F91-Y138 HydrophobicContact CE2-CE1 4.32Å; F91-Y138 WeakPolarHBondContact CE2-OH 3.3Å; V94-Y138 HydrophobicContact CG1-CD2 4.49Å; V94-Y138 HydrophobicContact CG2-CD1 4Å; V94-Y138 HydrophobicContact CG2-CD2 3.99Å; V94-Y138 HydrophobicContact CG2-CE1 4.31Å; V94-Y138 HydrophobicContact CG2-CE2 4.34Å; V94-Y138 HydrophobicContact CG2-CG 3.84Å; A134-Y138 WeakPolarHBondContact O-CD2 3.24Å; A134-Y138 PolarHBondContact O-N 2.85Å; A134-Y138 VanDerWaalsContact O-N 3.08Å; Y138-E140 PolarHBondContact O-N 3.24Å; Y138-I142 HydrophobicContact CD1-CD1 4.4Å
139	S	97.8	Very high	98.3	Very high	49 Å²	49	57 Å²	57	34%	0.343	29%	0.288	S	S	.	.			trans	-57.4	129.9	173.2	-65.4	0	0	0	0	111.8	E88 E141 I142	E88-S139 PolarHBondContact OE1-OG 3.49Å; S139-E141 PolarHBondContact O-N 3.47Å; S139-I142 VanDerWaalsContact O-CG1 3.25Å; S139-I142 WeakPolarHBondContact O-CG1 3.45Å; S139-I142 PolarHBondContact O-N 3.06Å
140	E	97.3	Very high	98.2	Very high	149 Å²	149	56.7 Å²	56.7	70%	0.696	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30	-174.8	-54.3	-170	160.2	0	0	113.6	M135 Y138 I142 V143	M135-E140 HydrophobicContact CE-CB 3.88Å; M135-E140 HydrophobicContact CE-CG 3.54Å; Y138-E140 PolarHBondContact O-N 3.24Å; E140-I142 VanDerWaalsContact C-N 3.27Å; E140-I142 PolarHBondContact O-N 3.33Å; E140-V143 PolarHBondContact O-N 3.29Å
141	E	97.9	Very high	98.2	Very high	160 Å²	160	60.3 Å²	60.3	75%	0.748	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-67.7	-22.4	-178.1	64.9	-163	-155.3	0	0	114.6	S139 H144	S139-E141 PolarHBondContact O-N 3.47Å; E141-H144 PolarHBondContact O-CE1 3.1Å
142	I	98.1	Very high	98.2	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.169	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-104.6	-5.3	179	69.7	163.4	0	0	0	113.1	V94 Y138 S139 E140	V94-I142 HydrophobicContact CG2-CD1 4.27Å; V94-I142 PolarHBondContact N-O 3.26Å; Y138-I142 HydrophobicContact CD1-CD1 4.4Å; S139-I142 VanDerWaalsContact O-CG1 3.25Å; S139-I142 WeakPolarHBondContact O-CG1 3.45Å; S139-I142 PolarHBondContact O-N 3.06Å; E140-I142 VanDerWaalsContact C-N 3.27Å; E140-I142 PolarHBondContact O-N 3.33Å
143	V	98.7	Very high	98.2	Very high	10 Å²	10	58.6 Å²	58.6	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.3	-178.9	-176.7	0	0	0	0	109.9	V94 V96 Y131 A134 M135 E140	V94-V143 HydrophobicContact CB-CG2 4.25Å; V94-V143 WeakPolarHBondContact O-CA 3.29Å; V96-V143 HydrophobicContact CG2-CG1 4.06Å; Y131-V143 HydrophobicContact CE2-CG1 4.42Å; A134-V143 HydrophobicContact CB-CG1 4.11Å; M135-V143 HydrophobicContact CG-CG1 4.4Å; M135-V143 HydrophobicContact SD-CB 3.89Å; M135-V143 HydrophobicContact SD-CG1 3.76Å; M135-V143 HydrophobicContact SD-CG2 4.48Å; E140-V143 PolarHBondContact O-N 3.29Å
144	H	98.7	Very high	98.2	Very high	76 Å²	76	58.3 Å²	58.3	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.3	-179.5	-54.7	-56.1	0	0	0	111.9	V94 F95 V96 E141	V94-H144 PolarHBondContact O-N 2.97Å; F95-H144 CarbonylContact C-O 3.54Å; F95-H144 VanDerWaalsContact CA-O 3.28Å; F95-H144 WeakPolarHBondContact CA-O 3.48Å; F95-H144 HydrophobicContact CD1-CB 3.85Å; F95-H144 HydrophobicContact CE1-CB 3.97Å; F95-H144 AromaticContact CE1-CD2 4Å; V96-H144 PolarHBondContact N-O 3.36Å; E141-H144 PolarHBondContact O-CE1 3.1Å
145	Q	98.8	Very high	98.2	Very high	80 Å²	80	64.9 Å²	64.9	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.4	173.2	-64.2	-177.3	73	0	0	110.5	V96 R98 Y131	V96-Q145 VanDerWaalsContact O-CA 3.29Å; V96-Q145 WeakPolarHBondContact O-CA 3.36Å; R98-Q145 HydrophobicContact CG-CB 4.08Å; R98-Q145 HydrophobicContact CG-CG 4.28Å; Y131-Q145 HydrophobicContact CD2-CG 3.5Å; Y131-Q145 VanDerWaalsContact CE2-CD 3.47Å; Y131-Q145 HydrophobicContact CE2-CG 3.42Å; Y131-Q145 VanDerWaalsContact CE2-CG 3.42Å; Y131-Q145 VanDerWaalsContact CE2-NE2 3.33Å; Y131-Q145 HydrophobicContact CG-CG 4.33Å; Y131-Q145 PolarHBondContact OH-NE2 3.44Å
146	L	98.7	Very high	98.2	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.1	174.6	-63	-178.8	0	0	0	110.5	L21 F95 V96 L97 R98 S148 N157 L161	L21-L146 HydrophobicContact CD2-CD1 4.15Å; F95-L146 HydrophobicContact CB-CD1 3.74Å; F95-L146 HydrophobicContact CB-CG 4.15Å; F95-L146 HydrophobicContact CD1-CD1 3.6Å; F95-L146 HydrophobicContact CD1-CD2 3.91Å; F95-L146 HydrophobicContact CD1-CG 3.68Å; F95-L146 HydrophobicContact CE1-CD1 4.34Å; F95-L146 HydrophobicContact CE1-CD2 4.23Å; F95-L146 HydrophobicContact CE1-CG 4.46Å; F95-L146 HydrophobicContact CG-CD1 3.75Å; F95-L146 HydrophobicContact CG-CG 4.22Å; V96-L146 PolarHBondContact O-N 2.86Å; L97-L146 WeakPolarHBondContact CA-O 3.36Å; L97-L146 HydrophobicContact CD1-CD1 4.3Å; L97-L146 HydrophobicContact CG-CB 4.4Å; R98-L146 PolarHBondContact N-O 3.34Å; L146-S148 PolarHBondContact O-N 3.38Å; L146-N157 HydrophobicContact CD1-CB 4.27Å; L146-L161 HydrophobicContact CD1-CD1 3.82Å; L146-L161 HydrophobicContact CD1-CD2 4.47Å
147	P	98.6	Very high	98.2	Very high	65 Å²	65	61 Å²	61	42%	0.422	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.3	168.9	28.8	-33.1	0	0	0	109.4	D153 N157	P147-D153 WeakPolarHBondContact O-CB 3.45Å; P147-N157 PolarHBondContact O-ND2 3.48Å
148	S	98.6	Very high	98.3	Very high	9 Å²	9	60.4 Å²	60.4	6%	0.063	31%	0.308	C	S	.	.			trans	-142.8	57.9	-178.4	-160.2	0	0	0	0	111.1	V16 R98 T99 R107 L146	V16-S148 VanDerWaalsContact O-CB 3.24Å; V16-S148 WeakPolarHBondContact O-CB 3.45Å; V16-S148 PolarHBondContact O-OG 3.04Å; R98-S148 PolarHBondContact O-N 3.45Å; T99-S148 PolarHBondContact OG1-O 3.42Å; T99-S148 VanDerWaalsContact OG1-O 3.06Å; R107-S148 PolarHBondContact NH1-O 3.44Å; R107-S148 PolarHBondContact NH2-O 3.48Å; L146-S148 PolarHBondContact O-N 3.38Å
149	N	98.1	Very high	98.3	Very high	26 Å²	26	65.4 Å²	65.4	14%	0.139	33%	0.331	C	S	.	.	S	Bend	trans	-98.7	-43.8	-175.3	-69.1	-52.3	0	0	0	111.9	T99 D100 Q103 R107 D153	T99-N149 WeakPolarHBondContact CA-OD1 3.3Å; T99-N149 WeakPolarHBondContact CG2-OD1 3.38Å; D100-N149 PolarHBondContact N-OD1 2.85Å; D100-N149 PolarHBondContact OD2-ND2 3.49Å; D100-N149 PolarHBondContact OD2-OD1 3.5Å; Q103-N149 PolarHBondContact NE2-OD1 2.81Å; Q103-N149 PolarHBondContact OE1-O 3.42Å; Q103-N149 VanDerWaalsContact OE1-O 3.08Å; R107-N149 VanDerWaalsContact NH2-C 3.31Å; R107-N149 PolarHBondContact NH2-O 3.34Å; N149-D153 WeakPolarHBondContact CA-OD2 3.39Å; N149-D153 VanDerWaalsContact CB-OD2 3.27Å; N149-D153 WeakPolarHBondContact CB-OD2 3.31Å; N149-D153 PolarHBondContact N-OD2 3.48Å
150	T	97.9	Very high	98.3	Very high	54 Å²	54	67.8 Å²	67.8	33%	0.331	34%	0.337	S	S	.	.	S	Bend	trans	-123.4	166.3	-172.9	79.3	0	0	0	0	112.4	E152 D153 L154	T150-E152 WeakPolarHBondContact CB-OE2 3.47Å; T150-E152 PolarHBondContact O-N 3.5Å; T150-E152 PolarHBondContact OG1-N 3.16Å; T150-E152 PolarHBondContact OG1-OE2 2.8Å; T150-D153 PolarHBondContact N-OD2 2.83Å; T150-D153 VanDerWaalsContact N-OD2 3.14Å; T150-D153 WeakPolarHBondContact O-CB 3.24Å; T150-D153 PolarHBondContact O-N 3.34Å; T150-D153 VanDerWaalsContact O-N 3.09Å; T150-D153 PolarHBondContact OG1-N 3.49Å; T150-L154 PolarHBondContact O-N 2.97Å
151	P	97.5	Very high	98.4	Very high	89 Å²	89	60.7 Å²	60.7	58%	0.578	30%	0.304	S	S	*	.	H	α-helix	trans	-56.6	-34.4	171.1	-25.8	36.5	0	0	0	113.1	D153 L154 E155	P151-D153 VanDerWaalsContact C-N 3.29Å; P151-D153 PolarHBondContact O-N 2.86Å; P151-L154 WeakPolarHBondContact O-CB 3.42Å; P151-L154 PolarHBondContact O-N 3.28Å; P151-E155 PolarHBondContact O-N 3.37Å
152	E	98.3	Very high	98.4	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-32.4	176.3	-59.4	76.5	-169.1	0	0	112.1	T150 K156	T150-E152 WeakPolarHBondContact CB-OE2 3.47Å; T150-E152 PolarHBondContact O-N 3.5Å; T150-E152 PolarHBondContact OG1-N 3.16Å; T150-E152 PolarHBondContact OG1-OE2 2.8Å; E152-K156 WeakPolarHBondContact O-CB 3.5Å; E152-K156 WeakPolarHBondContact O-CD 3.32Å; E152-K156 WeakPolarHBondContact O-CG 3.41Å; E152-K156 PolarHBondContact O-N 3.33Å; E152-K156 VanDerWaalsContact O-N 3.07Å
153	D	98.5	Very high	98.4	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-42.8	172	-66.2	-26.9	0	0	0	110.9	P147 N149 T150 P151 E155 K156 N157	P147-D153 WeakPolarHBondContact O-CB 3.45Å; N149-D153 WeakPolarHBondContact CA-OD2 3.39Å; N149-D153 VanDerWaalsContact CB-OD2 3.27Å; N149-D153 WeakPolarHBondContact CB-OD2 3.31Å; N149-D153 PolarHBondContact N-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 2.83Å; T150-D153 VanDerWaalsContact N-OD2 3.14Å; T150-D153 WeakPolarHBondContact O-CB 3.24Å; T150-D153 PolarHBondContact O-N 3.34Å; T150-D153 VanDerWaalsContact O-N 3.09Å; T150-D153 PolarHBondContact OG1-N 3.49Å; P151-D153 VanDerWaalsContact C-N 3.29Å; P151-D153 PolarHBondContact O-N 2.86Å; D153-E155 PolarHBondContact O-N 3.49Å; D153-K156 PolarHBondContact O-N 3.5Å; D153-N157 VanDerWaalsContact O-CB 3.31Å; D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 PolarHBondContact O-N 3.31Å; D153-N157 PolarHBondContact O-ND2 3.29Å; D153-N157 VanDerWaalsContact O-ND2 3.16Å; D153-N157 PolarHBondContact O-OD1 2.88Å
154	L	98.3	Very high	98.4	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-48.7	174.9	173.8	62.9	0	0	0	111.3	T20 L21 T150 P151 K156 N157 L158	T20-L154 HydrophobicContact CG2-CD1 4.45Å; T20-L154 HydrophobicContact CG2-CD2 3.83Å; L21-L154 HydrophobicContact CB-CD1 4.03Å; L21-L154 HydrophobicContact CD1-CD1 3.84Å; T150-L154 PolarHBondContact O-N 2.97Å; P151-L154 WeakPolarHBondContact O-CB 3.42Å; P151-L154 PolarHBondContact O-N 3.28Å; L154-K156 PolarHBondContact O-N 3.46Å; L154-N157 PolarHBondContact O-N 3.03Å; L154-L158 VanDerWaalsContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.28Å
155	E	98.3	Very high	98.4	Very high	138 Å²	138	57 Å²	57	65%	0.645	28%	0.284	S	S	*	.	H	α-helix	trans	-59.7	-44	178.2	-72.2	-179.2	-178.1	0	0	112.2	P151 D153 L158 H159	P151-E155 PolarHBondContact O-N 3.37Å; D153-E155 PolarHBondContact O-N 3.49Å; E155-L158 PolarHBondContact O-N 3.44Å; E155-H159 WeakPolarHBondContact O-CB 3.37Å; E155-H159 PolarHBondContact O-N 3.12Å
156	K	98.6	Very high	98.4	Very high	132 Å²	132	58 Å²	58	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-46.7	177.1	-72.8	168.8	-169.5	165.2	0	111.9	E152 D153 L154 L158 H159 Q160	E152-K156 WeakPolarHBondContact O-CB 3.5Å; E152-K156 WeakPolarHBondContact O-CD 3.32Å; E152-K156 WeakPolarHBondContact O-CG 3.41Å; E152-K156 PolarHBondContact O-N 3.33Å; E152-K156 VanDerWaalsContact O-N 3.07Å; D153-K156 PolarHBondContact O-N 3.5Å; L154-K156 PolarHBondContact O-N 3.46Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.33Å; K156-H159 PolarHBondContact O-N 3.21Å; K156-Q160 WeakPolarHBondContact O-CB 3.38Å; K156-Q160 PolarHBondContact O-N 3.11Å
157	N	98.7	Very high	98.4	Very high	5 Å²	5	62 Å²	62	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-46.6	178.3	-68.7	-20.8	0	0	0	110.2	L21 L146 P147 D153 L154 H159 Q160 L161	L21-N157 HydrophobicContact CD1-CB 4.02Å; L21-N157 HydrophobicContact CD2-CB 4.3Å; L146-N157 HydrophobicContact CD1-CB 4.27Å; P147-N157 PolarHBondContact O-ND2 3.48Å; D153-N157 VanDerWaalsContact O-CB 3.31Å; D153-N157 WeakPolarHBondContact O-CB 3.33Å; D153-N157 PolarHBondContact O-N 3.31Å; D153-N157 PolarHBondContact O-ND2 3.29Å; D153-N157 VanDerWaalsContact O-ND2 3.16Å; D153-N157 PolarHBondContact O-OD1 2.88Å; L154-N157 PolarHBondContact O-N 3.03Å; N157-H159 PolarHBondContact O-N 2.95Å; N157-Q160 PolarHBondContact O-N 2.86Å; N157-L161 WeakPolarHBondContact O-CB 3.49Å; N157-L161 WeakPolarHBondContact O-CD1 3.49Å; N157-L161 PolarHBondContact O-N 3.47Å
158	L	98.6	Very high	98.4	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-47.7	177.6	-175.1	64.7	0	0	0	111.2	L21 E24 L25 Q28 L154 E155 K156 Q160 L161 I162	L21-L158 HydrophobicContact CD1-CB 4.34Å; E24-L158 HydrophobicContact CB-CD1 4.15Å; E24-L158 HydrophobicContact CB-CD2 4.34Å; L25-L158 HydrophobicContact CB-CD1 4Å; L25-L158 HydrophobicContact CD1-CD1 4.13Å; Q28-L158 HydrophobicContact CG-CD1 4.46Å; Q28-L158 HydrophobicContact CG-CD2 4.38Å; L154-L158 VanDerWaalsContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.28Å; E155-L158 PolarHBondContact O-N 3.44Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.33Å; L158-Q160 PolarHBondContact O-N 2.78Å; L158-L161 PolarHBondContact O-N 2.82Å; L158-I162 HydrophobicContact CD1-CD1 4.03Å; L158-I162 HydrophobicContact CD1-CG1 4.4Å; L158-I162 HydrophobicContact CG-CD1 3.81Å; L158-I162 WeakPolarHBondContact O-CB 3.47Å; L158-I162 WeakPolarHBondContact O-CD1 3.48Å; L158-I162 WeakPolarHBondContact O-CG1 3.27Å; L158-I162 PolarHBondContact O-N 2.91Å
159	H	98.5	Very high	98.3	Very high	113 Å²	113	62 Å²	62	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-46.4	177.5	-175.2	69.4	0	0	0	112.3	E155 K156 N157 Q163	E155-H159 WeakPolarHBondContact O-CB 3.37Å; E155-H159 PolarHBondContact O-N 3.12Å; K156-H159 PolarHBondContact O-N 3.21Å; N157-H159 PolarHBondContact O-N 2.95Å; H159-Q163 PolarHBondContact CE1-NE2 2.98Å; H159-Q163 VanDerWaalsContact CE1-NE2 3.28Å; H159-Q163 PolarHBondContact NE2-NE2 2.92Å; H159-Q163 WeakPolarHBondContact O-CG 3.37Å; H159-Q163 PolarHBondContact O-N 3.14Å
160	Q	98.4	Very high	98.3	Very high	99 Å²	99	66.7 Å²	66.7	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-45.7	178.8	-178.5	178.6	5.4	0	0	111.9	K156 N157 L158 Q163 W164	K156-Q160 WeakPolarHBondContact O-CB 3.38Å; K156-Q160 PolarHBondContact O-N 3.11Å; N157-Q160 PolarHBondContact O-N 2.86Å; L158-Q160 PolarHBondContact O-N 2.78Å; Q160-Q163 PolarHBondContact O-N 3.41Å; Q160-W164 WeakPolarHBondContact O-CB 3.47Å; Q160-W164 PolarHBondContact O-N 3.21Å
161	L	98.6	Very high	98.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-35.4	-177.3	-89.1	64	0	0	0	111.7	L10 L21 L25 F95 L146 N157 L158 T165	L10-L161 HydrophobicContact CD2-CD2 4.03Å; L21-L161 HydrophobicContact CD2-CD2 4.18Å; L25-L161 HydrophobicContact CD1-CB 3.76Å; L25-L161 HydrophobicContact CD2-CB 4.01Å; L25-L161 HydrophobicContact CD2-CD2 3.71Å; L25-L161 HydrophobicContact CD2-CG 4.41Å; F95-L161 HydrophobicContact CD1-CD1 4.31Å; F95-L161 HydrophobicContact CD2-CD1 4.27Å; F95-L161 HydrophobicContact CD2-CD2 3.77Å; F95-L161 HydrophobicContact CD2-CG 4.07Å; F95-L161 HydrophobicContact CE1-CD1 3.88Å; F95-L161 HydrophobicContact CE2-CD1 3.83Å; F95-L161 HydrophobicContact CE2-CD2 3.76Å; F95-L161 HydrophobicContact CE2-CG 3.54Å; F95-L161 HydrophobicContact CG-CD1 4.48Å; F95-L161 HydrophobicContact CG-CD2 4.42Å; F95-L161 HydrophobicContact CZ-CD1 3.6Å; F95-L161 HydrophobicContact CZ-CD2 4.4Å; F95-L161 HydrophobicContact CZ-CG 3.78Å; L146-L161 HydrophobicContact CD1-CD1 3.82Å; L146-L161 HydrophobicContact CD1-CD2 4.47Å; N157-L161 WeakPolarHBondContact O-CB 3.49Å; N157-L161 WeakPolarHBondContact O-CD1 3.49Å; N157-L161 PolarHBondContact O-N 3.47Å; L158-L161 PolarHBondContact O-N 2.82Å; L161-T165 WeakPolarHBondContact O-CB 3.21Å; L161-T165 PolarHBondContact O-N 3.09Å; L161-T165 PolarHBondContact O-OG1 3.07Å
162	I	98.7	Very high	98.3	Very high	32 Å²	32	69.4 Å²	69.4	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-50.3	172.2	-69.3	165.9	0	0	0	110.2	L25 Q28 T29 L158 W164 T165 E166	L25-I162 HydrophobicContact CD1-CG1 3.84Å; Q28-I162 HydrophobicContact CB-CD1 3.65Å; Q28-I162 HydrophobicContact CB-CG1 4.18Å; Q28-I162 HydrophobicContact CG-CD1 3.97Å; T29-I162 HydrophobicContact CG2-CG1 3.99Å; L158-I162 HydrophobicContact CD1-CD1 4.03Å; L158-I162 HydrophobicContact CD1-CG1 4.4Å; L158-I162 HydrophobicContact CG-CD1 3.81Å; L158-I162 WeakPolarHBondContact O-CB 3.47Å; L158-I162 WeakPolarHBondContact O-CD1 3.48Å; L158-I162 WeakPolarHBondContact O-CG1 3.27Å; L158-I162 PolarHBondContact O-N 2.91Å; I162-W164 VanDerWaalsContact C-N 3.33Å; I162-W164 PolarHBondContact O-N 2.77Å; I162-T165 WeakPolarHBondContact O-CB 3.47Å; I162-T165 PolarHBondContact O-N 3.39Å; I162-T165 VanDerWaalsContact O-N 3.16Å; I162-E166 HydrophobicContact CG2-CG 4.47Å; I162-E166 WeakPolarHBondContact O-CG 3.37Å; I162-E166 PolarHBondContact O-N 2.96Å
163	Q	98.5	Very high	98.1	Very high	101 Å²	101	69.9 Å²	69.9	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-43.6	179.2	-75.9	-178.7	-23	0	0	112.3	H159 Q160 T165 E166 Q167	H159-Q163 PolarHBondContact CE1-NE2 2.98Å; H159-Q163 VanDerWaalsContact CE1-NE2 3.28Å; H159-Q163 PolarHBondContact NE2-NE2 2.92Å; H159-Q163 WeakPolarHBondContact O-CG 3.37Å; H159-Q163 PolarHBondContact O-N 3.14Å; Q160-Q163 PolarHBondContact O-N 3.41Å; Q163-T165 VanDerWaalsContact C-N 3.34Å; Q163-E166 PolarHBondContact O-N 3.44Å; Q163-Q167 WeakPolarHBondContact O-CB 3.39Å; Q163-Q167 PolarHBondContact O-N 3.31Å
164	W	98.6	Very high	98.1	Very high	65 Å²	65	72.3 Å²	72.3	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-45.2	175.6	179.3	89.7	0	0	0	111.3	P6 I8 H92 I93 Q160 I162 E166 Q167 W168	P6-W164 HydrophobicContact CB-CH2 3.76Å; P6-W164 HydrophobicContact CB-CZ3 3.78Å; P6-W164 HydrophobicContact CG-CH2 4.31Å; P6-W164 HydrophobicContact CG-CZ3 3.86Å; I8-W164 HydrophobicContact CD1-CE3 4.26Å; I8-W164 HydrophobicContact CD1-CZ3 3.88Å; I8-W164 HydrophobicContact CG1-CZ3 3.84Å; H92-W164 HydrophobicContact CB-CH2 4.05Å; H92-W164 HydrophobicContact CB-CZ2 4.44Å; I93-W164 HydrophobicContact CB-CH2 3.75Å; I93-W164 HydrophobicContact CB-CZ2 3.55Å; I93-W164 HydrophobicContact CB-CZ3 4.41Å; I93-W164 HydrophobicContact CD1-CD2 3.88Å; I93-W164 VanDerWaalsContact CD1-CE2 3.41Å; I93-W164 HydrophobicContact CD1-CG 4.14Å; I93-W164 HydrophobicContact CD1-CZ2 3.81Å; I93-W164 VanDerWaalsContact CD1-NE1 3.34Å; I93-W164 HydrophobicContact CG1-CZ2 4.31Å; I93-W164 HydrophobicContact CG2-CD2 4.33Å; I93-W164 HydrophobicContact CG2-CE3 4.04Å; I93-W164 HydrophobicContact CG2-CH2 3.32Å; I93-W164 HydrophobicContact CG2-CZ2 3.63Å; I93-W164 HydrophobicContact CG2-CZ3 3.55Å; Q160-W164 WeakPolarHBondContact O-CB 3.47Å; Q160-W164 PolarHBondContact O-N 3.21Å; I162-W164 VanDerWaalsContact C-N 3.33Å; I162-W164 PolarHBondContact O-N 2.77Å; W164-E166 PolarHBondContact O-N 2.84Å; W164-Q167 PolarHBondContact O-N 3.17Å; W164-W168 HydrophobicContact CH2-CB 4.34Å; W164-W168 AromaticContact CH2-CD1 3.83Å; W164-W168 HydrophobicContact CH2-CG 4.11Å; W164-W168 HydrophobicContact CZ2-CB 4.38Å; W164-W168 AromaticContact CZ2-CD1 3.65Å; W164-W168 HydrophobicContact CZ2-CG 4.22Å; W164-W168 HydrophobicContact CZ3-CB 4.48Å; W164-W168 WeakPolarHBondContact O-CB 3.4Å; W164-W168 PolarHBondContact O-N 3.42Å
165	T	98.4	Very high	98.1	Very high	4 Å²	4	74.4 Å²	74.4	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-47.2	178.8	-58.5	0	0	0	0	111.2	P6 T29 L31 L161 I162 Q163 Q167 W168 I169	P6-T165 HydrophobicContact CG-CG2 4.03Å; T29-T165 HydrophobicContact CG2-CG2 4.24Å; L31-T165 HydrophobicContact CD1-CG2 4Å; L161-T165 WeakPolarHBondContact O-CB 3.21Å; L161-T165 PolarHBondContact O-N 3.09Å; L161-T165 PolarHBondContact O-OG1 3.07Å; I162-T165 WeakPolarHBondContact O-CB 3.47Å; I162-T165 PolarHBondContact O-N 3.39Å; I162-T165 VanDerWaalsContact O-N 3.16Å; Q163-T165 VanDerWaalsContact C-N 3.34Å; T165-Q167 VanDerWaalsContact C-N 3.33Å; T165-Q167 PolarHBondContact O-N 3.42Å; T165-W168 PolarHBondContact O-N 3.32Å; T165-I169 HydrophobicContact CG2-CD1 3.99Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.39Å; T165-I169 PolarHBondContact O-N 3.25Å
166	E	98.1	Very high	98.1	Very high	102 Å²	102	70.9 Å²	70.9	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.1	-72.6	-178.4	-178.2	0	0	112.5	I162 Q163 W164 K170	I162-E166 HydrophobicContact CG2-CG 4.47Å; I162-E166 WeakPolarHBondContact O-CG 3.37Å; I162-E166 PolarHBondContact O-N 2.96Å; Q163-E166 PolarHBondContact O-N 3.44Å; W164-E166 PolarHBondContact O-N 2.84Å; E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 2.88Å
167	Q	98.4	Very high	98	Very high	89 Å²	89	67.3 Å²	67.3	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-68.6	-45.3	179.6	-173	55.4	49.3	0	0	110.9	Q163 W164 T165 I169 K170 D171	Q163-Q167 WeakPolarHBondContact O-CB 3.39Å; Q163-Q167 PolarHBondContact O-N 3.31Å; W164-Q167 PolarHBondContact O-N 3.17Å; T165-Q167 VanDerWaalsContact C-N 3.33Å; T165-Q167 PolarHBondContact O-N 3.42Å; Q167-I169 VanDerWaalsContact C-N 3.3Å; Q167-I169 PolarHBondContact O-N 3.13Å; Q167-K170 WeakPolarHBondContact O-CB 3.49Å; Q167-K170 PolarHBondContact O-N 3.32Å; Q167-K170 VanDerWaalsContact O-N 3.11Å; Q167-D171 PolarHBondContact NE2-OD1 3.2Å; Q167-D171 PolarHBondContact NE2-OD2 3.33Å; Q167-D171 PolarHBondContact O-N 3.26Å
168	W	98.4	Very high	98	Very high	26 Å²	26	71.2 Å²	71.2	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-44.4	176.4	-170.9	100.4	0	0	0	111.3	K4 L5 P6 H92 W164 T165 K170 D171 H172	K4-W168 HydrophobicContact CB-CH2 4.25Å; K4-W168 HydrophobicContact CB-CZ3 4.2Å; L5-W168 VanDerWaalsContact C-CZ3 3.4Å; P6-W168 HydrophobicContact CB-CD2 3.61Å; P6-W168 HydrophobicContact CB-CE3 3.68Å; P6-W168 HydrophobicContact CB-CG 4.06Å; P6-W168 HydrophobicContact CB-CH2 4.33Å; P6-W168 HydrophobicContact CB-CZ2 4.28Å; P6-W168 HydrophobicContact CB-CZ3 4.05Å; P6-W168 VanDerWaalsContact CD-CE3 3.44Å; P6-W168 HydrophobicContact CG-CB 4.49Å; P6-W168 HydrophobicContact CG-CD2 4.01Å; P6-W168 HydrophobicContact CG-CE3 3.76Å; P6-W168 HydrophobicContact CG-CG 4.33Å; P6-W168 HydrophobicContact CG-CZ3 4.32Å; P6-W168 VanDerWaalsContact N-CZ3 3.35Å; H92-W168 AromaticContact CD2-CE2 3.87Å; H92-W168 AromaticContact CD2-CZ2 3.35Å; H92-W168 WeakPolarHBondContact CD2-CZ2 3.17Å; H92-W168 AromaticContact CD2-NE1 3.9Å; H92-W168 AromaticContact CG-CZ2 3.83Å; H92-W168 AromaticContact CG-NE1 3.95Å; H92-W168 AromaticContact NE2-CZ2 3.47Å; H92-W168 WeakPolarHBondContact NE2-CZ2 3.41Å; W164-W168 HydrophobicContact CH2-CB 4.34Å; W164-W168 AromaticContact CH2-CD1 3.83Å; W164-W168 HydrophobicContact CH2-CG 4.11Å; W164-W168 HydrophobicContact CZ2-CB 4.38Å; W164-W168 AromaticContact CZ2-CD1 3.65Å; W164-W168 HydrophobicContact CZ2-CG 4.22Å; W164-W168 HydrophobicContact CZ3-CB 4.48Å; W164-W168 WeakPolarHBondContact O-CB 3.4Å; W164-W168 PolarHBondContact O-N 3.42Å; T165-W168 PolarHBondContact O-N 3.32Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 2.89Å; W168-D171 PolarHBondContact O-N 3.43Å; W168-H172 AromaticContact CD1-CE1 3.66Å; W168-H172 AromaticContact CD1-ND1 3.95Å; W168-H172 AromaticContact CD2-CE1 3.97Å; W168-H172 AromaticContact CD2-ND1 3.57Å; W168-H172 AromaticContact CE2-CE1 3.61Å; W168-H172 AromaticContact CE2-CG 3.9Å; W168-H172 AromaticContact CE2-ND1 3.57Å; W168-H172 AromaticContact CE2-NE2 3.95Å; W168-H172 HydrophobicContact CE3-CB 4.31Å; W168-H172 AromaticContact CG-ND1 3.83Å; W168-H172 HydrophobicContact CH2-CB 4.18Å; W168-H172 HydrophobicContact CZ2-CB 4.46Å; W168-H172 AromaticContact CZ2-CD2 3.93Å; W168-H172 AromaticContact CZ2-CG 3.91Å; W168-H172 HydrophobicContact CZ3-CB 4.09Å; W168-H172 AromaticContact NE1-CE1 3.39Å; W168-H172 PolarHBondContact NE1-CE1 3.34Å; W168-H172 AromaticContact NE1-ND1 3.78Å; W168-H172 AromaticContact NE1-NE2 3.83Å; W168-H172 PolarHBondContact O-N 3.39Å; W168-H172 PolarHBondContact O-ND1 2.97Å
169	I	97.7	Very high	98	Very high	46 Å²	46	74.7 Å²	74.7	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-41.8	177.9	-68.2	166.9	0	0	0	111	T3 L5 T165 Q167 D171 H172 N173	T3-I169 HydrophobicContact CG2-CG2 4.01Å; L5-I169 HydrophobicContact CD2-CD1 3.59Å; L5-I169 HydrophobicContact CD2-CG1 3.99Å; T165-I169 HydrophobicContact CG2-CD1 3.99Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.39Å; T165-I169 PolarHBondContact O-N 3.25Å; Q167-I169 VanDerWaalsContact C-N 3.3Å; Q167-I169 PolarHBondContact O-N 3.13Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 PolarHBondContact O-N 3.26Å; I169-H172 PolarHBondContact O-N 2.95Å; I169-N173 WeakPolarHBondContact O-CB 3.28Å; I169-N173 PolarHBondContact O-N 3.08Å; I169-N173 PolarHBondContact O-ND2 2.66Å
170	K	97.8	Very high	97.9	Very high	126 Å²	126	71.9 Å²	71.9	55%	0.548	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-36.4	176.9	-72.3	165.3	-172	157.7	0	112.8	E166 Q167 W168 H172	E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 2.88Å; Q167-K170 WeakPolarHBondContact O-CB 3.49Å; Q167-K170 PolarHBondContact O-N 3.32Å; Q167-K170 VanDerWaalsContact O-N 3.11Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 2.89Å; K170-H172 VanDerWaalsContact C-N 3.3Å
171	D	97.9	Very high	97.9	Very high	108 Å²	108	69.8 Å²	69.8	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-77.9	-18	-176.7	-66.2	-26.3	0	0	0	112.8	Q167 W168 I169	Q167-D171 PolarHBondContact NE2-OD1 3.2Å; Q167-D171 PolarHBondContact NE2-OD2 3.33Å; Q167-D171 PolarHBondContact O-N 3.26Å; W168-D171 PolarHBondContact O-N 3.43Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 PolarHBondContact O-N 3.26Å
172	H	96.6	Very high	97.8	Very high	91 Å²	91	75.7 Å²	75.7	42%	0.421	36%	0.359	S	S	.	.			trans	-114.8	7	-173.7	-63.5	80.1	0	0	0	114.5	W168 I169 K170	W168-H172 AromaticContact CD1-CE1 3.66Å; W168-H172 AromaticContact CD1-ND1 3.95Å; W168-H172 AromaticContact CD2-CE1 3.97Å; W168-H172 AromaticContact CD2-ND1 3.57Å; W168-H172 AromaticContact CE2-CE1 3.61Å; W168-H172 AromaticContact CE2-CG 3.9Å; W168-H172 AromaticContact CE2-ND1 3.57Å; W168-H172 AromaticContact CE2-NE2 3.95Å; W168-H172 HydrophobicContact CE3-CB 4.31Å; W168-H172 AromaticContact CG-ND1 3.83Å; W168-H172 HydrophobicContact CH2-CB 4.18Å; W168-H172 HydrophobicContact CZ2-CB 4.46Å; W168-H172 AromaticContact CZ2-CD2 3.93Å; W168-H172 AromaticContact CZ2-CG 3.91Å; W168-H172 HydrophobicContact CZ3-CB 4.09Å; W168-H172 AromaticContact NE1-CE1 3.39Å; W168-H172 PolarHBondContact NE1-CE1 3.34Å; W168-H172 AromaticContact NE1-ND1 3.78Å; W168-H172 AromaticContact NE1-NE2 3.83Å; W168-H172 PolarHBondContact O-N 3.39Å; W168-H172 PolarHBondContact O-ND1 2.97Å; I169-H172 PolarHBondContact O-N 2.95Å; K170-H172 VanDerWaalsContact C-N 3.3Å
173	N	94.8	Very high	97.7	Very high	118 Å²	118	79.6 Å²	79.6	63%	0.631	38%	0.377	S	S	*	.			trans	-141.4	0	-180	-63.5	-83	0	0	0	112.3	T3 K4 I169	T3-N173 VanDerWaalsContact CA-OD1 3.32Å; T3-N173 WeakPolarHBondContact CA-OD1 3.13Å; K4-N173 PolarHBondContact N-OD1 3.33Å; K4-N173 PolarHBondContact O-ND2 3.18Å; I169-N173 WeakPolarHBondContact O-CB 3.28Å; I169-N173 PolarHBondContact O-N 3.08Å; I169-N173 PolarHBondContact O-ND2 2.66Å

Retrieved 173 of 173 residues in 110.7 ms (Link to these results)

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