A0A3Q0KFS8_SCHMA Loading...

Adenylate kinase isoenzyme 6 homolog

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.

AlphaFold DB , UniProt , Accession A0A3Q0KFS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	78.6	Confident	221 Å²	221	61.8 Å²	61.8	100%	1.089	36%	0.364	S	S	*	.				0	135.7	0	-58.7	-54.7	-164.1	0	0	107.2	T3	M1-T3 PolarHBondContact O-N 3.3Å
2	P	46.3	Very low	80.3	Confident	126 Å²	126	56.7 Å²	56.7	82%	0.818	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-52.9	124.9	163.1	23.2	-28.5	0	0	0	106.8	A4	P2-A4 PolarHBondContact O-N 3.31Å
3	T	54.1	Low	81.7	Confident	127 Å²	127	52.3 Å²	52.3	78%	0.779	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-57.1	124.6	174.6	40.3	0	0	0	0	107.2	M1 T5	M1-T3 PolarHBondContact O-N 3.3Å; T3-T5 PolarHBondContact O-N 2.74Å
4	A	59.2	Low	82.8	Confident	45 Å²	45	48.8 Å²	48.8	37%	0.372	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-50	131.4	174.9	0	0	0	0	0	108.4	P2 L6	P2-A4 PolarHBondContact O-N 3.31Å; A4-L6 VanDerWaalsContact C-N 3.31Å
5	T	77.9	Confident	83.8	Confident	111 Å²	111	47.3 Å²	47.3	68%	0.681	28%	0.279	S	S	*	.	S	Bend	trans	-86.6	-11.3	-176.7	53.8	0	0	0	0	112.1	T3	T3-T5 PolarHBondContact O-N 2.74Å
6	L	92.3	Very high	84.6	Confident	41 Å²	41	44.6 Å²	44.6	22%	0.215	27%	0.265	C	S	.	.	S	Bend	trans	-137.2	144.4	-179	-66.9	175.4	0	0	0	109.5	A4 S31 L32 G76	A4-L6 VanDerWaalsContact C-N 3.31Å; L6-S31 WeakPolarHBondContact CD2-OG 3.32Å; L6-L32 HydrophobicContact CB-CD2 3.98Å; L6-L32 HydrophobicContact CD1-CD2 4.45Å; L6-G76 PolarHBondContact O-N 2.97Å
7	P	96.5	Very high	85.4	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.249	C	C	.	.			trans	-72.7	156.4	-178.3	29.4	-31.5	0	0	0	111	L32 G76 Q77 D93 W165 I166 W169	P7-L32 HydrophobicContact CG-CD1 4.34Å; P7-L32 HydrophobicContact CG-CD2 4.28Å; P7-G76 WeakPolarHBondContact O-CA 3.29Å; P7-G76 PolarHBondContact O-N 3.17Å; P7-Q77 PolarHBondContact O-N 3.46Å; P7-D93 VanDerWaalsContact CA-OD2 3.24Å; P7-D93 WeakPolarHBondContact CA-OD2 3.39Å; P7-D93 HydrophobicContact CB-CB 4.04Å; P7-W165 HydrophobicContact CB-CH2 4.21Å; P7-W165 HydrophobicContact CB-CZ3 3.93Å; P7-W165 HydrophobicContact CG-CZ3 4.11Å; P7-I166 HydrophobicContact CG-CG2 4.21Å; P7-W169 HydrophobicContact CB-CD2 3.65Å; P7-W169 HydrophobicContact CB-CE3 3.92Å; P7-W169 HydrophobicContact CB-CG 4.03Å; P7-W169 HydrophobicContact CB-CH2 4.34Å; P7-W169 HydrophobicContact CB-CZ2 4.08Å; P7-W169 HydrophobicContact CB-CZ3 4.28Å; P7-W169 VanDerWaalsContact CD-CE3 3.43Å; P7-W169 HydrophobicContact CG-CD2 3.96Å; P7-W169 HydrophobicContact CG-CE3 3.85Å; P7-W169 HydrophobicContact CG-CG 4.29Å; P7-W169 HydrophobicContact CG-CZ3 4.34Å
8	N	98	Very high	86.1	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.048	25%	0.245	C	C	.	.			trans	-102.9	133.6	161.7	-71.4	-26.4	0	0	0	109.3	M72 G75 G76 Q77 W91 F92 D93	N8-M72 HydrophobicContact CB-CE 3.85Å; N8-M72 PolarHBondContact ND2-O 3.04Å; N8-G75 VanDerWaalsContact OD1-CA 3.23Å; N8-G75 WeakPolarHBondContact OD1-CA 3.31Å; N8-G76 PolarHBondContact OD1-N 3.43Å; N8-Q77 CarbonylContact C-O 3.49Å; N8-Q77 WeakPolarHBondContact CA-O 3.23Å; N8-Q77 WeakPolarHBondContact OD1-CB 3.27Å; N8-Q77 WeakPolarHBondContact OD1-CG 3.39Å; N8-Q77 PolarHBondContact OD1-N 3.18Å; N8-W91 WeakPolarHBondContact CB-O 3.42Å; N8-W91 PolarHBondContact ND2-O 3.2Å; N8-F92 HydrophobicContact CB-CD1 4.32Å; N8-D93 PolarHBondContact N-OD2 3.17Å; N8-D93 PolarHBondContact O-N 3.47Å
9	I	98.6	Very high	86.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	175.8	67.7	171.2	0	0	0	111.3	I11 V26 L32 Q77 I78 V79 A94 F96 I162 W165 I166	I9-I11 HydrophobicContact CD1-CD1 4.35Å; I9-I11 HydrophobicContact CD1-CG1 4.5Å; I9-V26 HydrophobicContact CD1-CG1 4.47Å; I9-L32 HydrophobicContact CD1-CD1 4.34Å; I9-L32 HydrophobicContact CG1-CD1 4.23Å; I9-Q77 PolarHBondContact N-O 2.94Å; I9-I78 HydrophobicContact CD1-CG1 3.97Å; I9-I78 HydrophobicContact CD1-CG2 4.4Å; I9-I78 HydrophobicContact CG1-CB 4.23Å; I9-I78 HydrophobicContact CG1-CG1 3.76Å; I9-I78 HydrophobicContact CG1-CG2 4.17Å; I9-I78 WeakPolarHBondContact O-CA 3.49Å; I9-V79 PolarHBondContact O-N 3.34Å; I9-A94 CarbonylContact C-O 3.56Å; I9-A94 VanDerWaalsContact CA-O 3.27Å; I9-A94 WeakPolarHBondContact CA-O 3.18Å; I9-A94 HydrophobicContact CG2-CB 4.04Å; I9-F96 HydrophobicContact CB-CD2 4.47Å; I9-F96 HydrophobicContact CB-CE2 4.29Å; I9-F96 HydrophobicContact CD1-CD2 4.31Å; I9-F96 HydrophobicContact CD1-CE2 4.12Å; I9-F96 HydrophobicContact CG2-CE2 4.28Å; I9-I162 HydrophobicContact CD1-CG2 3.52Å; I9-W165 HydrophobicContact CG2-CE3 4.14Å; I9-W165 HydrophobicContact CG2-CH2 4.17Å; I9-W165 HydrophobicContact CG2-CZ3 3.52Å; I9-I166 HydrophobicContact CD1-CD1 4.17Å
10	L	98.8	Very high	87.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.4	170.2	176.8	60.1	0	0	0	109.3	T12 V79 C84 F87 F92 A94 V95 F96 Y139	L10-T12 HydrophobicContact CD2-CG2 4.43Å; L10-T12 HydrophobicContact CG-CG2 4.46Å; L10-V79 HydrophobicContact CD1-CB 3.98Å; L10-V79 HydrophobicContact CD1-CG1 3.83Å; L10-C84 HydrophobicContact CD2-CB 3.43Å; L10-C84 VanDerWaalsContact CD2-CB 3.43Å; L10-F87 HydrophobicContact CD1-CE2 4.24Å; L10-F87 HydrophobicContact CD2-CD2 4.31Å; L10-F92 HydrophobicContact CB-CD1 3.74Å; L10-F92 HydrophobicContact CB-CD2 4.11Å; L10-F92 HydrophobicContact CB-CE1 3.72Å; L10-F92 HydrophobicContact CB-CE2 4.09Å; L10-F92 HydrophobicContact CB-CG 3.94Å; L10-F92 HydrophobicContact CB-CZ 3.9Å; L10-F92 HydrophobicContact CD1-CZ 4.2Å; L10-F92 HydrophobicContact CD2-CD2 4.32Å; L10-F92 HydrophobicContact CD2-CE2 3.97Å; L10-F92 HydrophobicContact CD2-CZ 4.28Å; L10-F92 HydrophobicContact CG-CE2 4.48Å; L10-F92 HydrophobicContact CG-CZ 4.35Å; L10-A94 PolarHBondContact N-O 3.48Å; L10-V95 HydrophobicContact CB-CB 4.47Å; L10-V95 HydrophobicContact CB-CG1 4.26Å; L10-V95 HydrophobicContact CB-CG2 4.16Å; L10-V95 HydrophobicContact CD2-CG1 3.92Å; L10-V95 HydrophobicContact CD2-CG2 4.36Å; L10-V95 HydrophobicContact CG-CG1 4.23Å; L10-V95 CarbonylContact O-C 3.58Å; L10-F96 PolarHBondContact O-N 3.25Å; L10-Y139 HydrophobicContact CD2-CE2 4.37Å
11	I	98.9	Very high	87.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.8	168.7	-60.8	175.4	0	0	0	107.3	I9 K19 I22 S23 I78 V79 F96 L98 I162	I9-I11 HydrophobicContact CD1-CD1 4.35Å; I9-I11 HydrophobicContact CD1-CG1 4.5Å; I11-K19 HydrophobicContact CG2-CB 4.15Å; I11-K19 HydrophobicContact CG2-CG 4.36Å; I11-I22 HydrophobicContact CD1-CG2 4.04Å; I11-S23 WeakPolarHBondContact CB-OG 3.38Å; I11-S23 WeakPolarHBondContact CD1-OG 3.41Å; I11-I78 HydrophobicContact CD1-CG2 3.78Å; I11-I78 HydrophobicContact CG1-CG2 4.26Å; I11-V79 PolarHBondContact N-O 3.17Å; I11-F96 WeakPolarHBondContact CA-O 3.49Å; I11-F96 HydrophobicContact CG1-CB 4.35Å; I11-F96 HydrophobicContact CG1-CD2 4.46Å; I11-L98 HydrophobicContact CG2-CD1 4.13Å; I11-L98 HydrophobicContact CG2-CG 4.2Å; I11-I162 HydrophobicContact CD1-CD1 4.1Å
12	T	98.7	Very high	90.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	178.9	-176	-167	0	0	0	0	112.1	L10 K19 Y81 V95 F96 V97 L98 V131	L10-T12 HydrophobicContact CD2-CG2 4.43Å; L10-T12 HydrophobicContact CG-CG2 4.46Å; T12-K19 VanDerWaalsContact C-CD 3.46Å; T12-Y81 WeakPolarHBondContact CA-O 3.47Å; T12-Y81 PolarHBondContact OG1-O 3.35Å; T12-V95 HydrophobicContact CG2-CG1 4.19Å; T12-F96 PolarHBondContact N-O 3.24Å; T12-V97 HydrophobicContact CG2-CB 4.38Å; T12-V97 HydrophobicContact CG2-CG1 4.39Å; T12-V97 HydrophobicContact CG2-CG2 3.85Å; T12-L98 PolarHBondContact O-N 2.84Å; T12-V131 HydrophobicContact CG2-CG1 3.85Å; T12-V131 VanDerWaalsContact OG1-CG1 3.23Å; T12-V131 WeakPolarHBondContact OG1-CG1 3.47Å
13	G	98.4	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137	167.1	-177	0	0	0	0	0	112.4	K19	G13-K19 PolarHBondContact O-NZ 3.02Å
14	T	98	Very high	95.1	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	15%	0.147	C	C	.	.	S	Bend	trans	-54.5	142.9	-178.7	-52.4	0	0	0	0	111.9	G16 T17 K19 L105 L122 E126	T14-G16 PolarHBondContact O-N 2.82Å; T14-T17 WeakPolarHBondContact O-CB 3.22Å; T14-T17 WeakPolarHBondContact O-CG2 3.36Å; T14-T17 PolarHBondContact O-N 3.35Å; T14-T17 VanDerWaalsContact O-N 3.16Å; T14-T17 PolarHBondContact O-OG1 3.16Å; T14-K19 PolarHBondContact O-NZ 2.96Å; T14-L105 HydrophobicContact CG2-CD2 4.2Å; T14-L122 HydrophobicContact CG2-CB 4.43Å; T14-L122 WeakPolarHBondContact CG2-O 3.24Å; T14-E126 WeakPolarHBondContact CB-OE2 3.28Å; T14-E126 HydrophobicContact CG2-CB 4.28Å; T14-E126 PolarHBondContact OG1-OE2 3.18Å
15	P	97.2	Very high	97	Very high	26 Å²	26	24.4 Å²	24.4	17%	0.169	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	129	171.3	-29.8	35.4	0	0	0	112.2	H82 L109 L122	P15-H82 HydrophobicContact CG-CB 4.17Å; P15-L109 VanDerWaalsContact O-CD2 3.24Å; P15-L109 WeakPolarHBondContact O-CD2 3.49Å; P15-L122 HydrophobicContact CB-CD1 4.18Å; P15-L122 HydrophobicContact CB-CD2 4.35Å; P15-L122 HydrophobicContact CG-CD2 3.85Å
16	G	97.1	Very high	98	Very high	5 Å²	5	19.1 Å²	19.1	5%	0.052	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-8.6	-177.8	0	0	0	0	0	115.9	T14 G18 R108	T14-G16 PolarHBondContact O-N 2.82Å; G16-G18 VanDerWaalsContact C-N 3.3Å; G16-G18 PolarHBondContact O-N 2.98Å; G16-R108 VanDerWaalsContact O-CD 3.26Å; G16-R108 WeakPolarHBondContact O-CD 3.44Å; G16-R108 PolarHBondContact O-NH1 3.34Å
17	T	98.3	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-74.1	-14.5	179	57.8	0	0	0	0	114.5	T14 L98 T100 L105 N149	T14-T17 WeakPolarHBondContact O-CB 3.22Å; T14-T17 WeakPolarHBondContact O-CG2 3.36Å; T14-T17 PolarHBondContact O-N 3.35Å; T14-T17 VanDerWaalsContact O-N 3.16Å; T14-T17 PolarHBondContact O-OG1 3.16Å; T17-L98 WeakPolarHBondContact CG2-O 3.3Å; T17-T100 WeakPolarHBondContact CA-OG1 3.45Å; T17-L105 HydrophobicContact CG2-CD1 4.43Å; T17-N149 PolarHBondContact O-ND2 3.23Å
18	G	98	Very high	98.4	Very high	16 Å²	16	28.1 Å²	28.1	17%	0.165	14%	0.142	C	C	.	.	S	Bend	trans	110	9	172.7	0	0	0	0	0	116.4	G16 T20 T21 I22	G16-G18 VanDerWaalsContact C-N 3.3Å; G16-G18 PolarHBondContact O-N 2.98Å; G18-T20 PolarHBondContact O-N 3.05Å; G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.33Å; G18-T21 VanDerWaalsContact O-N 3.09Å; G18-I22 PolarHBondContact O-N 3.16Å; G18-I22 VanDerWaalsContact O-N 3.12Å
19	K	98.5	Very high	98.3	Very high	17 Å²	17	32.8 Å²	32.8	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-42.6	-63.8	-178.5	-56.5	-175.9	-67.3	-75.5	0	113.5	I11 T12 G13 T14 T21 I22 S23 D80 Y81 L98	I11-K19 HydrophobicContact CG2-CB 4.15Å; I11-K19 HydrophobicContact CG2-CG 4.36Å; T12-K19 VanDerWaalsContact C-CD 3.46Å; G13-K19 PolarHBondContact O-NZ 3.02Å; T14-K19 PolarHBondContact O-NZ 2.96Å; K19-T21 PolarHBondContact O-N 3.33Å; K19-T21 VanDerWaalsContact O-N 3.12Å; K19-I22 CarbonylContact O-C 3.59Å; K19-I22 PolarHBondContact O-N 2.98Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 PolarHBondContact O-OG 3Å; K19-D80 VanDerWaalsContact CB-OD1 3.22Å; K19-D80 WeakPolarHBondContact CB-OD1 3.33Å; K19-Y81 WeakPolarHBondContact CD-O 3.23Å; K19-Y81 WeakPolarHBondContact CE-O 3.37Å; K19-L98 HydrophobicContact CB-CD1 4.32Å; K19-L98 HydrophobicContact CG-CD1 3.96Å
20	T	98.4	Very high	98.1	Very high	57 Å²	57	34.4 Å²	34.4	35%	0.35	17%	0.17	S	C	.	.	H	α-helix	trans	-53.1	-37.9	-178.4	-52.2	0	0	0	0	114	G18 K24 D80	G18-T20 PolarHBondContact O-N 3.05Å; T20-K24 HydrophobicContact CG2-CD 4.07Å; T20-K24 WeakPolarHBondContact O-CB 3.34Å; T20-K24 VanDerWaalsContact O-CG 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 3.27Å; T20-K24 VanDerWaalsContact O-N 3.15Å; T20-D80 WeakPolarHBondContact CA-OD2 3.5Å; T20-D80 WeakPolarHBondContact CB-OD2 3.17Å; T20-D80 PolarHBondContact N-OD2 3.36Å; T20-D80 PolarHBondContact OG1-OD2 2.92Å
21	T	98.5	Very high	97.8	Very high	82 Å²	82	38.3 Å²	38.3	50%	0.503	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-46.9	177	-54.9	0	0	0	0	110.9	G18 K19 E25 L155	G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.33Å; G18-T21 VanDerWaalsContact O-N 3.09Å; K19-T21 PolarHBondContact O-N 3.33Å; K19-T21 VanDerWaalsContact O-N 3.12Å; T21-E25 WeakPolarHBondContact O-CB 3.32Å; T21-E25 PolarHBondContact O-N 2.91Å; T21-E25 VanDerWaalsContact O-N 3.17Å; T21-L155 HydrophobicContact CG2-CD1 4.04Å; T21-L155 HydrophobicContact CG2-CD2 3.95Å
22	I	98.8	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-50.9	178.1	-65.1	-172.6	0	0	0	110.3	I11 G18 K19 K24 E25 V26 L98 L155 N158 I159 I162	I11-I22 HydrophobicContact CD1-CG2 4.04Å; G18-I22 PolarHBondContact O-N 3.16Å; G18-I22 VanDerWaalsContact O-N 3.12Å; K19-I22 CarbonylContact O-C 3.59Å; K19-I22 PolarHBondContact O-N 2.98Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.43Å; I22-E25 PolarHBondContact O-N 2.74Å; I22-E25 VanDerWaalsContact O-N 3.11Å; I22-V26 HydrophobicContact CG2-CG2 3.88Å; I22-V26 WeakPolarHBondContact O-CB 3.47Å; I22-V26 VanDerWaalsContact O-CG2 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 2.8Å; I22-L98 HydrophobicContact CD1-CD1 3.76Å; I22-L98 HydrophobicContact CD1-CD2 3.87Å; I22-L98 HydrophobicContact CD1-CG 4.49Å; I22-L98 HydrophobicContact CG1-CD1 4.45Å; I22-L155 HydrophobicContact CD1-CD1 3.98Å; I22-L155 HydrophobicContact CG1-CD1 3.41Å; I22-L155 VanDerWaalsContact CG1-CD1 3.41Å; I22-L155 HydrophobicContact CG1-CG 4.47Å; I22-N158 HydrophobicContact CD1-CB 3.81Å; I22-I159 HydrophobicContact CB-CG1 4.4Å; I22-I159 HydrophobicContact CG1-CG1 4.23Å; I22-I159 HydrophobicContact CG2-CG1 4.08Å; I22-I162 HydrophobicContact CG2-CD1 3.58Å
23	S	98.8	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-43.2	-176.7	-52.7	0	0	0	0	112.5	I11 K19 S27	I11-S23 WeakPolarHBondContact CB-OG 3.38Å; I11-S23 WeakPolarHBondContact CD1-OG 3.41Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 PolarHBondContact O-OG 3Å; S23-S27 WeakPolarHBondContact O-CB 3.34Å; S23-S27 PolarHBondContact O-N 2.99Å
24	K	98.7	Very high	97.7	Very high	99 Å²	99	44.6 Å²	44.6	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-42.4	176	-74.3	180	176.8	-179.6	0	111.9	T20 I22 S27 R28 Y34	T20-K24 HydrophobicContact CG2-CD 4.07Å; T20-K24 WeakPolarHBondContact O-CB 3.34Å; T20-K24 VanDerWaalsContact O-CG 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 3.27Å; T20-K24 VanDerWaalsContact O-N 3.15Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.43Å; K24-S27 PolarHBondContact O-N 2.81Å; K24-R28 VanDerWaalsContact O-CG 3.32Å; K24-R28 WeakPolarHBondContact O-CG 3.24Å; K24-R28 PolarHBondContact O-N 3.23Å; K24-Y34 HydrophobicContact CD-CE1 4.32Å; K24-Y34 HydrophobicContact CG-CD1 3.99Å; K24-Y34 HydrophobicContact CG-CD2 4.27Å; K24-Y34 HydrophobicContact CG-CE1 3.89Å; K24-Y34 HydrophobicContact CG-CE2 4.16Å; K24-Y34 HydrophobicContact CG-CG 4.17Å
25	E	98.6	Very high	97.7	Very high	47 Å²	47	45.1 Å²	45.1	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-73.1	-37.6	-178.5	-170.7	59.3	-166	0	0	112.3	T21 I22 R28 R29 I159	T21-E25 WeakPolarHBondContact O-CB 3.32Å; T21-E25 PolarHBondContact O-N 2.91Å; T21-E25 VanDerWaalsContact O-N 3.17Å; I22-E25 PolarHBondContact O-N 2.74Å; I22-E25 VanDerWaalsContact O-N 3.11Å; E25-R28 PolarHBondContact O-N 3.27Å; E25-R28 IonicContact OE2-NH1 3.55Å; E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 3.41Å; E25-R29 IonicContact OE1-CZ 3.31Å; E25-R29 VanDerWaalsContact OE1-CZ 3.31Å; E25-R29 IonicContact OE1-NE 2.75Å; E25-R29 PolarHBondContact OE1-NE 3.08Å; E25-R29 IonicContact OE1-NH2 3.03Å; E25-R29 PolarHBondContact OE1-NH2 2.83Å; E25-I159 HydrophobicContact CB-CD1 3.9Å; E25-I159 HydrophobicContact CB-CG1 4.33Å; E25-I159 HydrophobicContact CG-CD1 3.75Å; E25-I159 HydrophobicContact CG-CG1 4.39Å; E25-I159 HydrophobicContact CG-CG2 4.05Å
26	V	98.7	Very high	97.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-43.8	171.1	174.9	0	0	0	0	110.3	I9 I22 R28 R29 S30 I78 I159 I162 I166	I9-V26 HydrophobicContact CD1-CG1 4.47Å; I22-V26 HydrophobicContact CG2-CG2 3.88Å; I22-V26 WeakPolarHBondContact O-CB 3.47Å; I22-V26 VanDerWaalsContact O-CG2 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 2.8Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.89Å; V26-R29 CarbonylContact O-C 3.57Å; V26-R29 PolarHBondContact O-N 3.47Å; V26-R29 VanDerWaalsContact O-N 3.16Å; V26-S30 VanDerWaalsContact O-CB 3.28Å; V26-S30 WeakPolarHBondContact O-CB 3.39Å; V26-S30 PolarHBondContact O-N 3.14Å; V26-S30 PolarHBondContact O-OG 3.18Å; V26-I78 HydrophobicContact CB-CD1 4.06Å; V26-I78 HydrophobicContact CG1-CD1 3.63Å; V26-I159 HydrophobicContact CG2-CB 4.48Å; V26-I159 HydrophobicContact CG2-CG1 4.45Å; V26-I159 HydrophobicContact CG2-CG2 4.19Å; V26-I162 HydrophobicContact CB-CG2 4.48Å; V26-I162 HydrophobicContact CG1-CG2 3.68Å; V26-I162 HydrophobicContact CG2-CB 4.04Å; V26-I162 HydrophobicContact CG2-CD1 4.31Å; V26-I162 HydrophobicContact CG2-CG2 3.95Å; V26-I166 HydrophobicContact CG1-CD1 3.6Å
27	S	98.4	Very high	97.8	Very high	27 Å²	27	44.1 Å²	44.1	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-43.3	174.7	180	0	0	0	0	111.8	S23 K24 R29 S30 L32 Y34	S23-S27 WeakPolarHBondContact O-CB 3.34Å; S23-S27 PolarHBondContact O-N 2.99Å; K24-S27 PolarHBondContact O-N 2.81Å; S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 3.3Å; S27-S30 PolarHBondContact O-N 3.09Å; S27-L32 WeakPolarHBondContact CB-O 2.89Å; S27-L32 PolarHBondContact OG-O 2.98Å; S27-Y34 PolarHBondContact OG-N 3.27Å
28	R	98.1	Very high	97.7	Very high	202 Å²	202	47.9 Å²	47.9	76%	0.762	24%	0.244	S	C	*	.	H	α-helix	trans	-65.8	-27.9	177.2	-69.8	178.9	85.6	-153.3	6.6	114	K24 E25 V26	K24-R28 VanDerWaalsContact O-CG 3.32Å; K24-R28 WeakPolarHBondContact O-CG 3.24Å; K24-R28 PolarHBondContact O-N 3.23Å; E25-R28 PolarHBondContact O-N 3.27Å; E25-R28 IonicContact OE2-NH1 3.55Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-R28 PolarHBondContact O-N 2.89Å
29	R	97.1	Very high	97.7	Very high	107 Å²	107	50.6 Å²	50.6	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-96.8	-1.9	-178.5	-66	-177.2	-170	-170	12	113.5	E25 V26 S27 E156	E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 3.41Å; E25-R29 IonicContact OE1-CZ 3.31Å; E25-R29 VanDerWaalsContact OE1-CZ 3.31Å; E25-R29 IonicContact OE1-NE 2.75Å; E25-R29 PolarHBondContact OE1-NE 3.08Å; E25-R29 IonicContact OE1-NH2 3.03Å; E25-R29 PolarHBondContact OE1-NH2 2.83Å; V26-R29 CarbonylContact O-C 3.57Å; V26-R29 PolarHBondContact O-N 3.47Å; V26-R29 VanDerWaalsContact O-N 3.16Å; S27-R29 VanDerWaalsContact C-N 3.28Å; S27-R29 PolarHBondContact O-N 3.3Å; R29-E156 IonicContact CZ-OE1 3.72Å; R29-E156 IonicContact CZ-OE2 3.76Å; R29-E156 IonicContact NH1-OE1 3.41Å; R29-E156 PolarHBondContact NH1-OE1 2.8Å; R29-E156 IonicContact NH1-OE2 3.65Å; R29-E156 IonicContact NH2-OE1 2.81Å; R29-E156 PolarHBondContact NH2-OE1 3.25Å; R29-E156 IonicContact NH2-OE2 2.98Å; R29-E156 PolarHBondContact NH2-OE2 3.31Å
30	S	95.1	Very high	97.6	Very high	34 Å²	34	51 Å²	51	24%	0.238	26%	0.259	C	S	.	.	S	Bend	trans	-130.1	-177.8	-179.3	69	0	0	0	0	110.9	V26 S27 L32	V26-S30 VanDerWaalsContact O-CB 3.28Å; V26-S30 WeakPolarHBondContact O-CB 3.39Å; V26-S30 PolarHBondContact O-N 3.14Å; V26-S30 PolarHBondContact O-OG 3.18Å; S27-S30 PolarHBondContact O-N 3.09Å; S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact OG-N 3.03Å
31	S	91	Very high	97.5	Very high	82 Å²	82	48.4 Å²	48.4	57%	0.573	24%	0.242	S	C	*	.	S	Bend	trans	-91.7	6.1	171.4	53.8	0	0	0	0	112.9	L6	L6-S31 WeakPolarHBondContact CD2-OG 3.32Å
32	L	97.6	Very high	97.4	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-87	141.7	-176.3	-47.7	-171.7	0	0	0	111.7	L6 P7 I9 S27 S30 G76 I78 I166	L6-L32 HydrophobicContact CB-CD2 3.98Å; L6-L32 HydrophobicContact CD1-CD2 4.45Å; P7-L32 HydrophobicContact CG-CD1 4.34Å; P7-L32 HydrophobicContact CG-CD2 4.28Å; I9-L32 HydrophobicContact CD1-CD1 4.34Å; I9-L32 HydrophobicContact CG1-CD1 4.23Å; S27-L32 WeakPolarHBondContact CB-O 2.89Å; S27-L32 PolarHBondContact OG-O 2.98Å; S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact OG-N 3.03Å; L32-G76 CarbonylContact C-O 3.6Å; L32-G76 VanDerWaalsContact CA-O 3.22Å; L32-G76 WeakPolarHBondContact CA-O 3.44Å; L32-I78 HydrophobicContact CB-CD1 3.69Å; L32-I78 HydrophobicContact CB-CG1 3.59Å; L32-I78 HydrophobicContact CD1-CD1 4.17Å; L32-I78 HydrophobicContact CD1-CG1 3.71Å; L32-I78 HydrophobicContact CG-CD1 4.44Å; L32-I78 HydrophobicContact CG-CG1 4.28Å; L32-I166 HydrophobicContact CD1-CD1 3.57Å; L32-I166 HydrophobicContact CD1-CG1 3.97Å; L32-I166 HydrophobicContact CD1-CG2 4.4Å; L32-I166 HydrophobicContact CG-CD1 4.24Å; L32-I166 HydrophobicContact CG-CG2 4.48Å
33	N	98.1	Very high	97.3	Very high	88 Å²	88	59.3 Å²	59.3	47%	0.471	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.8	178.8	174.1	62.6	0	0	0	111.2	G76 Q77 I78	N33-G76 PolarHBondContact N-O 2.75Å; N33-Q77 PolarHBondContact ND2-OE1 3.39Å; N33-Q77 CarbonylContact O-C 3.56Å; N33-I78 PolarHBondContact O-N 2.89Å
34	Y	98.7	Very high	97.1	Very high	41 Å²	41	61 Å²	61	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.7	177.5	170.3	-106.4	0	0	0	111.4	K24 S27 S36 D80	K24-Y34 HydrophobicContact CD-CE1 4.32Å; K24-Y34 HydrophobicContact CG-CD1 3.99Å; K24-Y34 HydrophobicContact CG-CD2 4.27Å; K24-Y34 HydrophobicContact CG-CE1 3.89Å; K24-Y34 HydrophobicContact CG-CE2 4.16Å; K24-Y34 HydrophobicContact CG-CG 4.17Å; S27-Y34 PolarHBondContact OG-N 3.27Å; Y34-S36 WeakPolarHBondContact OH-CB 3.47Å; Y34-D80 HydrophobicContact CD2-CB 4.5Å; Y34-D80 HydrophobicContact CE2-CB 3.53Å; Y34-D80 PolarHBondContact OH-OD2 3.36Å
35	I	98.6	Very high	96.9	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120	174.1	-59.2	-178.5	0	0	0	108.8	I37 V40 L68 A71 Q77 I78 D80	I35-I37 HydrophobicContact CG2-CD1 4.35Å; I35-V40 HydrophobicContact CG2-CG2 3.72Å; I35-L68 HydrophobicContact CD1-CD2 4.16Å; I35-L68 HydrophobicContact CG2-CD1 4.4Å; I35-L68 HydrophobicContact CG2-CD2 3.96Å; I35-A71 HydrophobicContact CD1-CB 4.44Å; I35-Q77 HydrophobicContact CD1-CB 4.17Å; I35-Q77 HydrophobicContact CD1-CG 4.1Å; I35-Q77 VanDerWaalsContact CD1-OE1 3.32Å; I35-I78 PolarHBondContact N-O 3.28Å; I35-D80 PolarHBondContact O-N 3.48Å
36	S	98.4	Very high	96.9	Very high	10 Å²	10	61.5 Å²	61.5	7%	0.07	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.6	166.2	-168	0	0	0	0	109.7	Y34 N38 D39 V40	Y34-S36 WeakPolarHBondContact OH-CB 3.47Å; S36-N38 PolarHBondContact O-N 3.43Å; S36-D39 WeakPolarHBondContact CB-OD2 3.49Å; S36-D39 PolarHBondContact O-N 2.92Å; S36-V40 WeakPolarHBondContact O-CG2 3.3Å; S36-V40 PolarHBondContact O-N 3.24Å
37	I	97.9	Very high	96.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-31.5	177.6	-59.8	-60.8	0	0	0	111.3	I35 D39 A41 L59 I64 L68 V79 D80 Y81 F87	I35-I37 HydrophobicContact CG2-CD1 4.35Å; I37-D39 VanDerWaalsContact C-N 3.34Å; I37-D39 PolarHBondContact O-N 3.37Å; I37-A41 VanDerWaalsContact O-CB 3.24Å; I37-A41 WeakPolarHBondContact O-CB 3.37Å; I37-A41 PolarHBondContact O-N 3.26Å; I37-L59 HydrophobicContact CG2-CD2 4.01Å; I37-I64 HydrophobicContact CD1-CG2 4.25Å; I37-I64 HydrophobicContact CG2-CD1 4.31Å; I37-I64 HydrophobicContact CG2-CG2 4.15Å; I37-L68 HydrophobicContact CD1-CD1 3.25Å; I37-V79 HydrophobicContact CD1-CG1 3.71Å; I37-V79 HydrophobicContact CG1-CG1 3.68Å; I37-D80 PolarHBondContact N-O 2.98Å; I37-Y81 HydrophobicContact CB-CD1 4.42Å; I37-Y81 HydrophobicContact CB-CD2 3.48Å; I37-Y81 VanDerWaalsContact CB-CD2 3.48Å; I37-Y81 HydrophobicContact CB-CE2 4.1Å; I37-Y81 HydrophobicContact CB-CG 3.67Å; I37-Y81 HydrophobicContact CG1-CD2 4.28Å; I37-Y81 HydrophobicContact CG1-CG 3.98Å; I37-Y81 HydrophobicContact CG2-CD1 4.11Å; I37-Y81 HydrophobicContact CG2-CD2 3.65Å; I37-Y81 HydrophobicContact CG2-CE1 4.26Å; I37-Y81 HydrophobicContact CG2-CE2 3.79Å; I37-Y81 HydrophobicContact CG2-CG 3.82Å; I37-F87 HydrophobicContact CD1-CE1 4.01Å; I37-F87 HydrophobicContact CD1-CZ 4Å; I37-F87 HydrophobicContact CG1-CE1 4.36Å; I37-F87 HydrophobicContact CG1-CZ 3.85Å
38	N	95.6	Very high	96.5	Very high	78 Å²	78	69.2 Å²	69.2	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-37.8	174.2	-64.1	-65.7	0	0	0	112.3	S36 K42	S36-N38 PolarHBondContact O-N 3.43Å; N38-K42 VanDerWaalsContact O-CB 3.3Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 2.97Å; N38-K42 VanDerWaalsContact O-N 3.17Å
39	D	97.3	Very high	96.2	Very high	73 Å²	73	61.6 Å²	61.6	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-74	-43.6	179.1	-65.9	-26.6	0	0	0	110.2	S36 I37 A41 K42 E43	S36-D39 WeakPolarHBondContact CB-OD2 3.49Å; S36-D39 PolarHBondContact O-N 2.92Å; I37-D39 VanDerWaalsContact C-N 3.34Å; I37-D39 PolarHBondContact O-N 3.37Å; D39-A41 PolarHBondContact O-N 3.11Å; D39-K42 PolarHBondContact O-N 2.72Å; D39-E43 WeakPolarHBondContact O-CB 3.39Å; D39-E43 WeakPolarHBondContact O-CG 3.4Å; D39-E43 PolarHBondContact O-N 3.03Å
40	V	97.8	Very high	96	Very high	27 Å²	27	60.9 Å²	60.9	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-48.2	174.7	175.4	0	0	0	0	111	I35 S36 K42 E43 G44 L46 I64 E67 L68	I35-V40 HydrophobicContact CG2-CG2 3.72Å; S36-V40 WeakPolarHBondContact O-CG2 3.3Å; S36-V40 PolarHBondContact O-N 3.24Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.41Å; V40-E43 PolarHBondContact O-N 3.44Å; V40-G44 PolarHBondContact O-N 2.8Å; V40-L46 HydrophobicContact CG1-CD1 4.01Å; V40-I64 HydrophobicContact CG1-CD1 4.06Å; V40-E67 HydrophobicContact CG1-CG 4.05Å; V40-L68 HydrophobicContact CG1-CD2 4.28Å; V40-L68 HydrophobicContact CG2-CD2 4.19Å
41	A	96.5	Very high	95.7	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-40.5	178.3	0	0	0	0	0	112.7	I37 D39 E45 L46 Y47 L59 I64	I37-A41 VanDerWaalsContact O-CB 3.24Å; I37-A41 WeakPolarHBondContact O-CB 3.37Å; I37-A41 PolarHBondContact O-N 3.26Å; D39-A41 PolarHBondContact O-N 3.11Å; A41-E45 WeakPolarHBondContact O-CA 3.45Å; A41-E45 PolarHBondContact O-N 3.34Å; A41-E45 VanDerWaalsContact O-N 3.08Å; A41-L46 PolarHBondContact O-N 2.91Å; A41-Y47 HydrophobicContact CB-CE1 3.74Å; A41-L59 HydrophobicContact CB-CD1 3.34Å; A41-I64 HydrophobicContact CB-CD1 3.87Å
42	K	95.4	Very high	95.6	Very high	147 Å²	147	63.9 Å²	63.9	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-72.2	-42.4	-178.9	-176.5	-177.5	175.9	-172	0	112.2	N38 D39 V40 Y47	N38-K42 VanDerWaalsContact O-CB 3.3Å; N38-K42 WeakPolarHBondContact O-CB 3.36Å; N38-K42 PolarHBondContact O-N 2.97Å; N38-K42 VanDerWaalsContact O-N 3.17Å; D39-K42 PolarHBondContact O-N 2.72Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.41Å; K42-Y47 VanDerWaalsContact CA-OH 3.28Å; K42-Y47 WeakPolarHBondContact CA-OH 3.29Å; K42-Y47 PolarHBondContact N-OH 2.97Å
43	E	96.1	Very high	94.8	Very high	165 Å²	165	68 Å²	68	77%	0.771	36%	0.36	S	S	*	.	H	α-helix	trans	-71.3	-36.6	-178.9	-71.8	178.1	-177.9	0	0	112	D39 V40	D39-E43 WeakPolarHBondContact O-CB 3.39Å; D39-E43 WeakPolarHBondContact O-CG 3.4Å; D39-E43 PolarHBondContact O-N 3.03Å; V40-E43 PolarHBondContact O-N 3.44Å
44	G	95.4	Very high	93.9	Very high	34 Å²	34	68.3 Å²	68.3	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.7	177.9	0	0	0	0	0	115.4	V40 L46 R63	V40-G44 PolarHBondContact O-N 2.8Å; G44-L46 VanDerWaalsContact O-CD2 3.27Å; G44-L46 WeakPolarHBondContact O-CD2 3.29Å; G44-L46 PolarHBondContact O-N 3.44Å; G44-R63 PolarHBondContact O-NH2 2.96Å
45	E	95.3	Very high	93.2	Very high	151 Å²	151	71.9 Å²	71.9	71%	0.706	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	48.5	-169.2	-60.3	-176.2	168.1	0	0	111.4	A41 Y47 R63	A41-E45 WeakPolarHBondContact O-CA 3.45Å; A41-E45 PolarHBondContact O-N 3.34Å; A41-E45 VanDerWaalsContact O-N 3.08Å; E45-Y47 VanDerWaalsContact C-N 3.3Å; E45-Y47 PolarHBondContact O-N 2.83Å; E45-Y47 VanDerWaalsContact O-N 3.13Å; E45-R63 PolarHBondContact O-NH1 2.75Å; E45-R63 VanDerWaalsContact O-NH1 3.14Å; E45-R63 PolarHBondContact O-NH2 2.86Å
46	L	96.7	Very high	92.6	Very high	7 Å²	7	73.7 Å²	73.7	4%	0.037	39%	0.394	C	S	.	.			trans	-89.3	65.4	-175.4	-47.7	-179.1	0	0	0	110.3	V40 A41 G44 D60 R63 I64 E67	V40-L46 HydrophobicContact CG1-CD1 4.01Å; A41-L46 PolarHBondContact O-N 2.91Å; G44-L46 VanDerWaalsContact O-CD2 3.27Å; G44-L46 WeakPolarHBondContact O-CD2 3.29Å; G44-L46 PolarHBondContact O-N 3.44Å; L46-D60 PolarHBondContact O-N 3.49Å; L46-R63 HydrophobicContact CB-CB 4.48Å; L46-R63 HydrophobicContact CD2-CB 4.18Å; L46-R63 VanDerWaalsContact CD2-NH2 3.26Å; L46-I64 HydrophobicContact CB-CD1 3.99Å; L46-I64 HydrophobicContact CB-CG1 4.18Å; L46-I64 HydrophobicContact CD1-CD1 3.51Å; L46-I64 HydrophobicContact CD1-CG1 4.1Å; L46-I64 HydrophobicContact CG-CD1 4.34Å; L46-E67 HydrophobicContact CD1-CB 4.06Å; L46-E67 HydrophobicContact CD1-CG 4.25Å
47	Y	95.7	Very high	92.2	Very high	69 Å²	69	78.1 Å²	78.1	27%	0.271	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	-178.4	-56.3	-60.4	0	0	0	111.6	A41 K42 E45 H57 I58	A41-Y47 HydrophobicContact CB-CE1 3.74Å; K42-Y47 VanDerWaalsContact CA-OH 3.28Å; K42-Y47 WeakPolarHBondContact CA-OH 3.29Å; K42-Y47 PolarHBondContact N-OH 2.97Å; E45-Y47 VanDerWaalsContact C-N 3.3Å; E45-Y47 PolarHBondContact O-N 2.83Å; E45-Y47 VanDerWaalsContact O-N 3.13Å; Y47-H57 HydrophobicContact CD1-CB 3.36Å; Y47-H57 HydrophobicContact CD2-CB 4.04Å; Y47-H57 AromaticContact CD2-CG 3.95Å; Y47-H57 HydrophobicContact CE1-CB 3.69Å; Y47-H57 HydrophobicContact CE2-CB 4.32Å; Y47-H57 HydrophobicContact CG-CB 3.54Å; Y47-H57 AromaticContact CG-CG 3.9Å; Y47-I58 CarbonylContact C-O 3.55Å; Y47-I58 WeakPolarHBondContact CA-O 3.27Å; Y47-I58 WeakPolarHBondContact CB-O 3.42Å
48	D	93.4	Very high	91.9	Very high	120 Å²	120	82 Å²	82	64%	0.642	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	58.7	173.8	-169.3	26.1	0	0	0	110.6	I58 D60	D48-I58 PolarHBondContact N-O 2.75Å; D48-D60 HydrophobicContact CB-CB 4.15Å
49	G	92.1	Very high	91.9	Very high	42 Å²	42	79.3 Å²	79.3	43%	0.433	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	106	-165.1	176.3	0	0	0	0	0	115.5	H57 I58	G49-H57 PolarHBondContact O-ND1 2.73Å; G49-I58 PolarHBondContact O-N 2.75Å; G49-I58 VanDerWaalsContact O-N 3.17Å
50	Y	92.4	Very high	91.8	Very high	91 Å²	91	77.4 Å²	77.4	36%	0.357	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125	-176.2	-172.3	-99.3	0	0	0	110.2	E52 Q55 C56 H57	Y50-E52 HydrophobicContact CD1-CG 4.09Å; Y50-E52 PolarHBondContact O-N 2.84Å; Y50-Q55 VanDerWaalsContact OH-C 3.27Å; Y50-Q55 VanDerWaalsContact OH-CA 3.24Å; Y50-Q55 WeakPolarHBondContact OH-CA 3.45Å; Y50-Q55 PolarHBondContact OH-O 3.3Å; Y50-Q55 PolarHBondContact OH-OE1 2.83Å; Y50-C56 WeakPolarHBondContact CD2-O 3.46Å; Y50-H57 AromaticContact CD2-CE1 3.77Å; Y50-H57 AromaticContact CD2-ND1 3.76Å
51	D	89.5	Confident	91.7	Very high	45 Å²	45	79.9 Å²	79.9	24%	0.241	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	100.2	173.1	-175.8	-20.8	0	0	0	109	A53 N54 Q55 C56 I58	D51-A53 PolarHBondContact O-N 2.89Å; D51-A53 WeakPolarHBondContact OD1-CA 3.28Å; D51-A53 WeakPolarHBondContact OD1-CB 3.33Å; D51-A53 PolarHBondContact OD1-N 2.87Å; D51-N54 HydrophobicContact CB-CB 4.35Å; D51-N54 PolarHBondContact O-N 2.88Å; D51-N54 PolarHBondContact OD1-N 2.79Å; D51-N54 PolarHBondContact OD2-ND2 3.23Å; D51-Q55 VanDerWaalsContact O-CA 3.29Å; D51-Q55 WeakPolarHBondContact O-CA 3.4Å; D51-Q55 PolarHBondContact O-N 3.03Å; D51-C56 PolarHBondContact N-O 3Å; D51-C56 PolarHBondContact O-N 3.11Å; D51-I58 HydrophobicContact CB-CD1 4.37Å; D51-I58 HydrophobicContact CB-CG1 4.09Å
52	E	88.6	Confident	91.7	Very high	134 Å²	134	86 Å²	86	63%	0.626	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26	177.4	-69.9	-70.9	-176.7	0	0	113.3	Y50 Q55	Y50-E52 HydrophobicContact CD1-CG 4.09Å; Y50-E52 PolarHBondContact O-N 2.84Å; E52-Q55 PolarHBondContact O-NE2 3.19Å; E52-Q55 PolarHBondContact OE2-NE2 3.4Å; E52-Q55 VanDerWaalsContact OE2-NE2 3.07Å
53	A	81.4	Confident	91.9	Very high	89 Å²	89	83.7 Å²	83.7	74%	0.736	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-41.6	178.6	0	0	0	0	0	110.8	D51	D51-A53 PolarHBondContact O-N 2.89Å; D51-A53 WeakPolarHBondContact OD1-CA 3.28Å; D51-A53 WeakPolarHBondContact OD1-CB 3.33Å; D51-A53 PolarHBondContact OD1-N 2.87Å
54	N	80.1	Confident	91.9	Very high	96 Å²	96	75.9 Å²	75.9	51%	0.513	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.2	-178.5	-70.3	-55.2	0	0	0	114.4	D51 C56	D51-N54 HydrophobicContact CB-CB 4.35Å; D51-N54 PolarHBondContact O-N 2.88Å; D51-N54 PolarHBondContact OD1-N 2.79Å; D51-N54 PolarHBondContact OD2-ND2 3.23Å; N54-C56 VanDerWaalsContact C-N 3.34Å; N54-C56 PolarHBondContact O-N 2.87Å
55	Q	83	Confident	92.1	Very high	115 Å²	115	75.4 Å²	75.4	54%	0.537	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	48.6	-177.6	-64.4	-70.1	-55.4	0	0	111.9	Y50 D51 E52	Y50-Q55 VanDerWaalsContact OH-C 3.27Å; Y50-Q55 VanDerWaalsContact OH-CA 3.24Å; Y50-Q55 WeakPolarHBondContact OH-CA 3.45Å; Y50-Q55 PolarHBondContact OH-O 3.3Å; Y50-Q55 PolarHBondContact OH-OE1 2.83Å; D51-Q55 VanDerWaalsContact O-CA 3.29Å; D51-Q55 WeakPolarHBondContact O-CA 3.4Å; D51-Q55 PolarHBondContact O-N 3.03Å; E52-Q55 PolarHBondContact O-NE2 3.19Å; E52-Q55 PolarHBondContact OE2-NE2 3.4Å; E52-Q55 VanDerWaalsContact OE2-NE2 3.07Å
56	C	85.7	Confident	92.2	Very high	53 Å²	53	74.2 Å²	74.2	36%	0.358	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.2	178.2	60.7	0	0	0	0	112.3	Y50 D51 N54	Y50-C56 WeakPolarHBondContact CD2-O 3.46Å; D51-C56 PolarHBondContact N-O 3Å; D51-C56 PolarHBondContact O-N 3.11Å; N54-C56 VanDerWaalsContact C-N 3.34Å; N54-C56 PolarHBondContact O-N 2.87Å
57	H	90.4	Very high	92.2	Very high	104 Å²	104	79.8 Å²	79.8	48%	0.481	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.6	171.8	-72.3	-75.2	0	0	0	111.3	Y47 G49 Y50	Y47-H57 HydrophobicContact CD1-CB 3.36Å; Y47-H57 HydrophobicContact CD2-CB 4.04Å; Y47-H57 AromaticContact CD2-CG 3.95Å; Y47-H57 HydrophobicContact CE1-CB 3.69Å; Y47-H57 HydrophobicContact CE2-CB 4.32Å; Y47-H57 HydrophobicContact CG-CB 3.54Å; Y47-H57 AromaticContact CG-CG 3.9Å; G49-H57 PolarHBondContact O-ND1 2.73Å; Y50-H57 AromaticContact CD2-CE1 3.77Å; Y50-H57 AromaticContact CD2-ND1 3.76Å
58	I	92.3	Very high	92.3	Very high	82 Å²	82	76.9 Å²	76.9	42%	0.421	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.7	171.9	-59.1	172.7	0	0	0	106.8	Y47 D48 G49 D51	Y47-I58 CarbonylContact C-O 3.55Å; Y47-I58 WeakPolarHBondContact CA-O 3.27Å; Y47-I58 WeakPolarHBondContact CB-O 3.42Å; D48-I58 PolarHBondContact N-O 2.75Å; G49-I58 PolarHBondContact O-N 2.75Å; G49-I58 VanDerWaalsContact O-N 3.17Å; D51-I58 HydrophobicContact CB-CD1 4.37Å; D51-I58 HydrophobicContact CB-CG1 4.09Å
59	L	94.4	Very high	92.5	Very high	21 Å²	21	73.4 Å²	73.4	11%	0.11	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.8	-179.9	-168	69.6	0	0	0	109.8	I37 A41 E61 I64 Y81 F86	I37-L59 HydrophobicContact CG2-CD2 4.01Å; A41-L59 HydrophobicContact CB-CD1 3.34Å; L59-E61 HydrophobicContact CB-CG 4.5Å; L59-E61 HydrophobicContact CD2-CG 4.24Å; L59-E61 HydrophobicContact CG-CG 4.48Å; L59-E61 PolarHBondContact O-N 2.9Å; L59-I64 HydrophobicContact CD1-CD1 3.78Å; L59-I64 HydrophobicContact CD1-CG1 3.67Å; L59-I64 HydrophobicContact CD2-CG1 3.98Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; L59-I64 HydrophobicContact CG-CG1 3.79Å; L59-Y81 HydrophobicContact CD2-CE1 4.04Å; L59-F86 HydrophobicContact CD2-CE1 4.36Å; L59-F86 HydrophobicContact CD2-CE2 4.29Å; L59-F86 HydrophobicContact CD2-CZ 3.77Å
60	D	96.5	Very high	92.6	Very high	32 Å²	32	77.8 Å²	77.8	17%	0.171	40%	0.399	C	S	.	.			trans	-84.2	91.3	165.9	-169.1	-39.5	0	0	0	108.1	L46 D48 D62 R63 I64	L46-D60 PolarHBondContact O-N 3.49Å; D48-D60 HydrophobicContact CB-CB 4.15Å; D60-D62 PolarHBondContact O-N 2.7Å; D60-R63 HydrophobicContact CB-CB 4.14Å; D60-R63 HydrophobicContact CB-CG 4.38Å; D60-R63 PolarHBondContact O-N 3.41Å; D60-R63 WeakPolarHBondContact OD1-CG 3.46Å; D60-R63 PolarHBondContact OD1-N 3.01Å; D60-R63 VanDerWaalsContact OD1-N 3.1Å; D60-R63 WeakPolarHBondContact OD2-CD 3.47Å; D60-I64 VanDerWaalsContact O-CG1 3.26Å; D60-I64 WeakPolarHBondContact O-CG1 3.39Å; D60-I64 PolarHBondContact O-N 3.44Å
61	E	95.8	Very high	92.8	Very high	79 Å²	79	75 Å²	75	37%	0.369	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-39.6	-172.5	-69.1	177.1	174	0	0	112.5	L59 I64 V65 F86	L59-E61 HydrophobicContact CB-CG 4.5Å; L59-E61 HydrophobicContact CD2-CG 4.24Å; L59-E61 HydrophobicContact CG-CG 4.48Å; L59-E61 PolarHBondContact O-N 2.9Å; E61-I64 WeakPolarHBondContact O-CB 3.36Å; E61-I64 PolarHBondContact O-N 3.26Å; E61-V65 WeakPolarHBondContact O-CG2 3.27Å; E61-V65 PolarHBondContact O-N 3.43Å; E61-F86 HydrophobicContact CB-CB 4.08Å; E61-F86 HydrophobicContact CB-CD2 3.7Å; E61-F86 HydrophobicContact CB-CE2 4.26Å; E61-F86 HydrophobicContact CB-CG 3.88Å; E61-F86 HydrophobicContact CG-CB 4.16Å; E61-F86 HydrophobicContact CG-CD1 3.95Å; E61-F86 HydrophobicContact CG-CD2 3.86Å; E61-F86 HydrophobicContact CG-CE1 4.32Å; E61-F86 HydrophobicContact CG-CE2 4.19Å; E61-F86 HydrophobicContact CG-CG 3.72Å; E61-F86 HydrophobicContact CG-CZ 4.42Å; E61-F86 VanDerWaalsContact OE2-CB 3.3Å; E61-F86 WeakPolarHBondContact OE2-CB 3.41Å
62	D	96.5	Very high	93.1	Very high	129 Å²	129	73.1 Å²	73.1	69%	0.69	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-45.5	177.3	-75.6	-23.4	0	0	0	110.7	D60 I64 V65 D66	D60-D62 PolarHBondContact O-N 2.7Å; D62-I64 VanDerWaalsContact C-N 3.31Å; D62-I64 PolarHBondContact O-N 2.99Å; D62-V65 PolarHBondContact O-N 2.95Å; D62-D66 PolarHBondContact O-N 3.28Å
63	R	97.8	Very high	93.4	Very high	100 Å²	100	70 Å²	70	38%	0.377	38%	0.377	S	S	.	.	H	α-helix	trans	-67.5	-30.7	177	-70.8	173.8	69.4	-156.3	-4	113.1	G44 E45 L46 D60 V65 E67	G44-R63 PolarHBondContact O-NH2 2.96Å; E45-R63 PolarHBondContact O-NH1 2.75Å; E45-R63 VanDerWaalsContact O-NH1 3.14Å; E45-R63 PolarHBondContact O-NH2 2.86Å; L46-R63 HydrophobicContact CB-CB 4.48Å; L46-R63 HydrophobicContact CD2-CB 4.18Å; L46-R63 VanDerWaalsContact CD2-NH2 3.26Å; D60-R63 HydrophobicContact CB-CB 4.14Å; D60-R63 HydrophobicContact CB-CG 4.38Å; D60-R63 PolarHBondContact O-N 3.41Å; D60-R63 WeakPolarHBondContact OD1-CG 3.46Å; D60-R63 PolarHBondContact OD1-N 3.01Å; D60-R63 VanDerWaalsContact OD1-N 3.1Å; D60-R63 WeakPolarHBondContact OD2-CD 3.47Å; R63-V65 VanDerWaalsContact C-N 3.35Å; R63-E67 WeakPolarHBondContact O-CB 3.33Å; R63-E67 PolarHBondContact O-N 2.85Å
64	I	97.8	Very high	94	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66.7	-41.6	172.9	-70.1	-80.7	0	0	0	110.4	I37 V40 A41 L46 L59 D60 E61 D62 L68 F86 F87	I37-I64 HydrophobicContact CD1-CG2 4.25Å; I37-I64 HydrophobicContact CG2-CD1 4.31Å; I37-I64 HydrophobicContact CG2-CG2 4.15Å; V40-I64 HydrophobicContact CG1-CD1 4.06Å; A41-I64 HydrophobicContact CB-CD1 3.87Å; L46-I64 HydrophobicContact CB-CD1 3.99Å; L46-I64 HydrophobicContact CB-CG1 4.18Å; L46-I64 HydrophobicContact CD1-CD1 3.51Å; L46-I64 HydrophobicContact CD1-CG1 4.1Å; L46-I64 HydrophobicContact CG-CD1 4.34Å; L59-I64 HydrophobicContact CD1-CD1 3.78Å; L59-I64 HydrophobicContact CD1-CG1 3.67Å; L59-I64 HydrophobicContact CD2-CG1 3.98Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; L59-I64 HydrophobicContact CG-CG1 3.79Å; D60-I64 VanDerWaalsContact O-CG1 3.26Å; D60-I64 WeakPolarHBondContact O-CG1 3.39Å; D60-I64 PolarHBondContact O-N 3.44Å; E61-I64 WeakPolarHBondContact O-CB 3.36Å; E61-I64 PolarHBondContact O-N 3.26Å; D62-I64 VanDerWaalsContact C-N 3.31Å; D62-I64 PolarHBondContact O-N 2.99Å; I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 WeakPolarHBondContact O-CB 3.4Å; I64-L68 WeakPolarHBondContact O-CG 3.39Å; I64-L68 PolarHBondContact O-N 2.92Å; I64-F86 HydrophobicContact CB-CE2 4.45Å; I64-F86 HydrophobicContact CG2-CE2 3.94Å; I64-F87 HydrophobicContact CG2-CE1 4.34Å
65	V	97.8	Very high	94.7	Very high	24 Å²	24	65.7 Å²	65.7	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-47.7	176.7	171.7	0	0	0	0	110.4	E61 D62 R63 E67 L68 E69 F86 P88 W91	E61-V65 WeakPolarHBondContact O-CG2 3.27Å; E61-V65 PolarHBondContact O-N 3.43Å; D62-V65 PolarHBondContact O-N 2.95Å; R63-V65 VanDerWaalsContact C-N 3.35Å; V65-E67 PolarHBondContact O-N 3.48Å; V65-L68 PolarHBondContact O-N 3.18Å; V65-E69 PolarHBondContact O-N 3.11Å; V65-F86 HydrophobicContact CG2-CD2 4.16Å; V65-P88 HydrophobicContact CG1-CG 4.02Å; V65-W91 HydrophobicContact CB-CH2 4.24Å; V65-W91 HydrophobicContact CG1-CH2 4.04Å; V65-W91 HydrophobicContact CG1-CZ2 3.87Å; V65-W91 HydrophobicContact CG2-CH2 4.3Å; V65-W91 WeakPolarHBondContact O-CH2 3.46Å
66	D	97.8	Very high	95.3	Very high	126 Å²	126	60.4 Å²	60.4	67%	0.674	33%	0.327	S	S	*	.	H	α-helix	trans	-60	-44.2	178.3	-76.1	-16.2	0	0	0	112.5	D62 L68	D62-D66 PolarHBondContact O-N 3.28Å; D66-L68 VanDerWaalsContact C-N 3.3Å; D66-L68 PolarHBondContact O-N 3.17Å
67	E	97.8	Very high	95.9	Very high	124 Å²	124	58.8 Å²	58.8	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-33.3	-179.4	-175.5	63.1	-155.7	0	0	112.5	V40 L46 R63 V65	V40-E67 HydrophobicContact CG1-CG 4.05Å; L46-E67 HydrophobicContact CD1-CB 4.06Å; L46-E67 HydrophobicContact CD1-CG 4.25Å; R63-E67 WeakPolarHBondContact O-CB 3.33Å; R63-E67 PolarHBondContact O-N 2.85Å; V65-E67 PolarHBondContact O-N 3.48Å
68	L	97.8	Very high	96.3	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-94.5	-11.9	-175.7	-65.2	179.5	0	0	0	114	I35 I37 V40 I64 V65 D66 D70 A71 M72 W91	I35-L68 HydrophobicContact CD1-CD2 4.16Å; I35-L68 HydrophobicContact CG2-CD1 4.4Å; I35-L68 HydrophobicContact CG2-CD2 3.96Å; I37-L68 HydrophobicContact CD1-CD1 3.25Å; V40-L68 HydrophobicContact CG1-CD2 4.28Å; V40-L68 HydrophobicContact CG2-CD2 4.19Å; I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 WeakPolarHBondContact O-CB 3.4Å; I64-L68 WeakPolarHBondContact O-CG 3.39Å; I64-L68 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.18Å; D66-L68 VanDerWaalsContact C-N 3.3Å; D66-L68 PolarHBondContact O-N 3.17Å; L68-D70 VanDerWaalsContact C-N 3.32Å; L68-D70 PolarHBondContact O-N 2.93Å; L68-A71 PolarHBondContact O-N 2.74Å; L68-A71 VanDerWaalsContact O-N 3.09Å; L68-M72 HydrophobicContact CB-CG 4.17Å; L68-M72 WeakPolarHBondContact O-CB 3.49Å; L68-M72 VanDerWaalsContact O-CG 3.3Å; L68-M72 WeakPolarHBondContact O-CG 3.27Å; L68-M72 PolarHBondContact O-N 3.46Å; L68-W91 HydrophobicContact CB-CH2 3.67Å; L68-W91 HydrophobicContact CB-CZ2 4.47Å; L68-W91 HydrophobicContact CB-CZ3 4.14Å; L68-W91 HydrophobicContact CD1-CZ3 4.5Å
69	E	96.6	Very high	96.6	Very high	47 Å²	47	49.9 Å²	49.9	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-53.5	-44.6	-173	-179.2	56.6	-152.2	0	0	113.4	V65 S73 R90 W91	V65-E69 PolarHBondContact O-N 3.11Å; E69-S73 WeakPolarHBondContact O-CB 3.32Å; E69-S73 PolarHBondContact O-N 3.28Å; E69-S73 PolarHBondContact O-OG 2.98Å; E69-S73 PolarHBondContact OE1-OG 3.03Å; E69-S73 VanDerWaalsContact OE1-OG 3.11Å; E69-R90 IonicContact OE1-CZ 2.75Å; E69-R90 IonicContact OE1-NH1 3.51Å; E69-R90 PolarHBondContact OE1-NH1 3.33Å; E69-R90 IonicContact OE1-NH2 2.7Å; E69-R90 PolarHBondContact OE1-NH2 3.15Å; E69-R90 IonicContact OE2-CZ 3.62Å; E69-R90 IonicContact OE2-NH1 2.75Å; E69-R90 IonicContact OE2-NH2 3.19Å; E69-R90 PolarHBondContact OE2-NH2 3Å; E69-W91 HydrophobicContact CB-CZ2 4.46Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.48Å; E69-W91 PolarHBondContact OE2-NE1 2.78Å
70	D	95.5	Very high	96.8	Very high	134 Å²	134	49 Å²	49	72%	0.717	27%	0.266	S	S	*	.	H	α-helix	trans	-67.6	-41.2	179.9	-79.8	-14.6	0	0	0	112.1	L68 S74	L68-D70 VanDerWaalsContact C-N 3.32Å; L68-D70 PolarHBondContact O-N 2.93Å; D70-S74 WeakPolarHBondContact O-CB 3.38Å; D70-S74 PolarHBondContact O-N 2.93Å; D70-S74 VanDerWaalsContact O-N 3.14Å; D70-S74 PolarHBondContact O-OG 3.41Å
71	A	95.7	Very high	96.9	Very high	33 Å²	33	48.4 Å²	48.4	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-44.7	178.8	0	0	0	0	0	111.2	I35 L68 S74 G75 Q77	I35-A71 HydrophobicContact CD1-CB 4.44Å; L68-A71 PolarHBondContact O-N 2.74Å; L68-A71 VanDerWaalsContact O-N 3.09Å; A71-S74 PolarHBondContact O-N 2.88Å; A71-G75 PolarHBondContact O-N 2.88Å; A71-Q77 PolarHBondContact O-NE2 3.08Å
72	M	96.9	Very high	96.8	Very high	5 Å²	5	48 Å²	48	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-40	178.5	-63.2	-54.9	-67.5	0	0	111.3	N8 L68 S74 G75 Q77 V79 W91 F92	N8-M72 HydrophobicContact CB-CE 3.85Å; N8-M72 PolarHBondContact ND2-O 3.04Å; L68-M72 HydrophobicContact CB-CG 4.17Å; L68-M72 WeakPolarHBondContact O-CB 3.49Å; L68-M72 VanDerWaalsContact O-CG 3.3Å; L68-M72 WeakPolarHBondContact O-CG 3.27Å; L68-M72 PolarHBondContact O-N 3.46Å; M72-S74 PolarHBondContact O-N 3.05Å; M72-G75 PolarHBondContact O-N 2.85Å; M72-G75 VanDerWaalsContact O-N 3.08Å; M72-Q77 HydrophobicContact CE-CB 4.35Å; M72-Q77 HydrophobicContact SD-CB 3.64Å; M72-Q77 HydrophobicContact SD-CG 3.68Å; M72-V79 HydrophobicContact CE-CG2 3.87Å; M72-V79 HydrophobicContact SD-CG2 3.72Å; M72-W91 HydrophobicContact CB-CD2 3.79Å; M72-W91 HydrophobicContact CB-CE3 4.33Å; M72-W91 HydrophobicContact CB-CG 3.91Å; M72-W91 HydrophobicContact CB-CZ2 4.27Å; M72-W91 HydrophobicContact CE-CB 3.78Å; M72-W91 HydrophobicContact CE-CD2 4.24Å; M72-W91 HydrophobicContact CE-CE3 4.08Å; M72-W91 HydrophobicContact CE-CG 4.18Å; M72-W91 HydrophobicContact CG-CD2 3.69Å; M72-W91 HydrophobicContact CG-CE3 3.7Å; M72-W91 HydrophobicContact CG-CG 4.22Å; M72-W91 HydrophobicContact CG-CH2 4.07Å; M72-W91 HydrophobicContact CG-CZ2 4.12Å; M72-W91 HydrophobicContact CG-CZ3 3.89Å; M72-F92 HydrophobicContact CE-CD1 3.91Å; M72-F92 HydrophobicContact CE-CE1 3.4Å; M72-F92 VanDerWaalsContact CE-CE1 3.4Å; M72-F92 HydrophobicContact CE-CZ 4.03Å
73	S	94.3	Very high	96.6	Very high	68 Å²	68	42.5 Å²	42.5	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-27.6	175.3	-69.4	0	0	0	0	113.5	E69 G75	E69-S73 WeakPolarHBondContact O-CB 3.32Å; E69-S73 PolarHBondContact O-N 3.28Å; E69-S73 PolarHBondContact O-OG 2.98Å; E69-S73 PolarHBondContact OE1-OG 3.03Å; E69-S73 VanDerWaalsContact OE1-OG 3.11Å; S73-G75 VanDerWaalsContact C-N 3.27Å
74	S	92.9	Very high	96.3	Very high	88 Å²	88	37.7 Å²	37.7	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-74.9	-17.3	175.6	-61.2	0	0	0	0	113.2	D70 A71 M72	D70-S74 WeakPolarHBondContact O-CB 3.38Å; D70-S74 PolarHBondContact O-N 2.93Å; D70-S74 VanDerWaalsContact O-N 3.14Å; D70-S74 PolarHBondContact O-OG 3.41Å; A71-S74 PolarHBondContact O-N 2.88Å; M72-S74 PolarHBondContact O-N 3.05Å
75	G	94.5	Very high	96	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	24%	0.239	C	C	.	.			trans	75.8	176.8	-173.8	0	0	0	0	0	113	N8 A71 M72 S73 Q77	N8-G75 VanDerWaalsContact OD1-CA 3.23Å; N8-G75 WeakPolarHBondContact OD1-CA 3.31Å; A71-G75 PolarHBondContact O-N 2.88Å; M72-G75 PolarHBondContact O-N 2.85Å; M72-G75 VanDerWaalsContact O-N 3.08Å; S73-G75 VanDerWaalsContact C-N 3.27Å; G75-Q77 PolarHBondContact O-NE2 3.36Å
76	G	96.7	Very high	95.9	Very high	4 Å²	4	43.6 Å²	43.6	4%	0.041	24%	0.239	C	C	.	.			trans	82.1	24.8	172.9	0	0	0	0	0	115.9	L6 P7 N8 L32 N33	L6-G76 PolarHBondContact O-N 2.97Å; P7-G76 WeakPolarHBondContact O-CA 3.29Å; P7-G76 PolarHBondContact O-N 3.17Å; N8-G76 PolarHBondContact OD1-N 3.43Å; L32-G76 CarbonylContact C-O 3.6Å; L32-G76 VanDerWaalsContact CA-O 3.22Å; L32-G76 WeakPolarHBondContact CA-O 3.44Å; N33-G76 PolarHBondContact N-O 2.75Å
77	Q	98.3	Very high	95.9	Very high	18 Å²	18	38 Å²	38	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.9	-174.6	-49.2	-51.9	-43.4	0	0	112.9	P7 N8 I9 N33 I35 A71 M72 G75	P7-Q77 PolarHBondContact O-N 3.46Å; N8-Q77 CarbonylContact C-O 3.49Å; N8-Q77 WeakPolarHBondContact CA-O 3.23Å; N8-Q77 WeakPolarHBondContact OD1-CB 3.27Å; N8-Q77 WeakPolarHBondContact OD1-CG 3.39Å; N8-Q77 PolarHBondContact OD1-N 3.18Å; I9-Q77 PolarHBondContact N-O 2.94Å; N33-Q77 PolarHBondContact ND2-OE1 3.39Å; N33-Q77 CarbonylContact O-C 3.56Å; I35-Q77 HydrophobicContact CD1-CB 4.17Å; I35-Q77 HydrophobicContact CD1-CG 4.1Å; I35-Q77 VanDerWaalsContact CD1-OE1 3.32Å; A71-Q77 PolarHBondContact O-NE2 3.08Å; M72-Q77 HydrophobicContact CE-CB 4.35Å; M72-Q77 HydrophobicContact SD-CB 3.64Å; M72-Q77 HydrophobicContact SD-CG 3.68Å; G75-Q77 PolarHBondContact O-NE2 3.36Å
78	I	98.7	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.5	164.7	-59.5	167.6	0	0	0	107	I9 I11 V26 L32 N33 I35	I9-I78 HydrophobicContact CD1-CG1 3.97Å; I9-I78 HydrophobicContact CD1-CG2 4.4Å; I9-I78 HydrophobicContact CG1-CB 4.23Å; I9-I78 HydrophobicContact CG1-CG1 3.76Å; I9-I78 HydrophobicContact CG1-CG2 4.17Å; I9-I78 WeakPolarHBondContact O-CA 3.49Å; I11-I78 HydrophobicContact CD1-CG2 3.78Å; I11-I78 HydrophobicContact CG1-CG2 4.26Å; V26-I78 HydrophobicContact CB-CD1 4.06Å; V26-I78 HydrophobicContact CG1-CD1 3.63Å; L32-I78 HydrophobicContact CB-CD1 3.69Å; L32-I78 HydrophobicContact CB-CG1 3.59Å; L32-I78 HydrophobicContact CD1-CD1 4.17Å; L32-I78 HydrophobicContact CD1-CG1 3.71Å; L32-I78 HydrophobicContact CG-CD1 4.44Å; L32-I78 HydrophobicContact CG-CG1 4.28Å; N33-I78 PolarHBondContact O-N 2.89Å; I35-I78 PolarHBondContact N-O 3.28Å
79	V	98.7	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.4	177.4	179.3	0	0	0	0	109.9	I9 L10 I11 I37 M72 F87 F92	I9-V79 PolarHBondContact O-N 3.34Å; L10-V79 HydrophobicContact CD1-CB 3.98Å; L10-V79 HydrophobicContact CD1-CG1 3.83Å; I11-V79 PolarHBondContact N-O 3.17Å; I37-V79 HydrophobicContact CD1-CG1 3.71Å; I37-V79 HydrophobicContact CG1-CG1 3.68Å; M72-V79 HydrophobicContact CE-CG2 3.87Å; M72-V79 HydrophobicContact SD-CG2 3.72Å; V79-F87 HydrophobicContact CG1-CE2 4.43Å; V79-F87 HydrophobicContact CG1-CZ 4.23Å; V79-F92 HydrophobicContact CB-CE1 3.84Å; V79-F92 HydrophobicContact CB-CZ 4.1Å; V79-F92 HydrophobicContact CG1-CZ 4.38Å; V79-F92 HydrophobicContact CG2-CE1 3.69Å; V79-F92 HydrophobicContact CG2-CZ 4.09Å
80	D	98.5	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.8	175.4	170.1	17	0	0	0	110.5	K19 T20 Y34 I35 I37	K19-D80 VanDerWaalsContact CB-OD1 3.22Å; K19-D80 WeakPolarHBondContact CB-OD1 3.33Å; T20-D80 WeakPolarHBondContact CA-OD2 3.5Å; T20-D80 WeakPolarHBondContact CB-OD2 3.17Å; T20-D80 PolarHBondContact N-OD2 3.36Å; T20-D80 PolarHBondContact OG1-OD2 2.92Å; Y34-D80 HydrophobicContact CD2-CB 4.5Å; Y34-D80 HydrophobicContact CE2-CB 3.53Å; Y34-D80 PolarHBondContact OH-OD2 3.36Å; I35-D80 PolarHBondContact O-N 3.48Å; I37-D80 PolarHBondContact N-O 2.98Å
81	Y	98.1	Very high	95.6	Very high	21 Å²	21	37.7 Å²	37.7	8%	0.082	20%	0.198	C	C	.	.			trans	-150.6	172.8	172.3	-158.8	-133	0	0	0	112	T12 K19 I37 L59 S83 F86 F87	T12-Y81 WeakPolarHBondContact CA-O 3.47Å; T12-Y81 PolarHBondContact OG1-O 3.35Å; K19-Y81 WeakPolarHBondContact CD-O 3.23Å; K19-Y81 WeakPolarHBondContact CE-O 3.37Å; I37-Y81 HydrophobicContact CB-CD1 4.42Å; I37-Y81 HydrophobicContact CB-CD2 3.48Å; I37-Y81 VanDerWaalsContact CB-CD2 3.48Å; I37-Y81 HydrophobicContact CB-CE2 4.1Å; I37-Y81 HydrophobicContact CB-CG 3.67Å; I37-Y81 HydrophobicContact CG1-CD2 4.28Å; I37-Y81 HydrophobicContact CG1-CG 3.98Å; I37-Y81 HydrophobicContact CG2-CD1 4.11Å; I37-Y81 HydrophobicContact CG2-CD2 3.65Å; I37-Y81 HydrophobicContact CG2-CE1 4.26Å; I37-Y81 HydrophobicContact CG2-CE2 3.79Å; I37-Y81 HydrophobicContact CG2-CG 3.82Å; L59-Y81 HydrophobicContact CD2-CE1 4.04Å; Y81-S83 WeakPolarHBondContact CD1-O 3.1Å; Y81-F86 AromaticContact CD1-CE1 3.87Å; Y81-F86 HydrophobicContact CD1-CE1 3.87Å; Y81-F86 AromaticContact CD1-CZ 3.95Å; Y81-F86 HydrophobicContact CD1-CZ 3.95Å; Y81-F86 AromaticContact CE1-CE1 3.68Å; Y81-F86 HydrophobicContact CE1-CE1 3.68Å; Y81-F86 AromaticContact CE1-CZ 3.87Å; Y81-F86 HydrophobicContact CE1-CZ 3.87Å; Y81-F87 HydrophobicContact CD1-CE2 4.49Å; Y81-F87 HydrophobicContact CD1-CZ 4.24Å
82	H	94.6	Very high	95.7	Very high	69 Å²	69	36.6 Å²	36.6	32%	0.319	19%	0.187	S	C	.	.	S	Bend	trans	-104.3	-6.7	-176.1	64	-87.5	0	0	0	114.2	P15 V131	P15-H82 HydrophobicContact CG-CB 4.17Å; H82-V131 WeakPolarHBondContact O-CG2 3.33Å
83	S	91.3	Very high	95.7	Very high	14 Å²	14	39 Å²	39	10%	0.098	20%	0.2	C	C	.	.			trans	-128.5	161.5	169.9	175.6	0	0	0	0	108.3	Y81 E134	Y81-S83 WeakPolarHBondContact CD1-O 3.1Å; S83-E134 PolarHBondContact OG-OE2 3.13Å; S83-E134 VanDerWaalsContact OG-OE2 3.12Å
84	C	91.8	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.			trans	-141.7	-1.4	-175.5	61	0	0	0	0	115.4	L10 F86 F87 A135 Y139	L10-C84 HydrophobicContact CD2-CB 3.43Å; L10-C84 VanDerWaalsContact CD2-CB 3.43Å; C84-F86 PolarHBondContact O-N 3.35Å; C84-F87 HydrophobicContact CB-CD2 4.43Å; C84-A135 VanDerWaalsContact SG-CA 3.59Å; C84-Y139 HydrophobicContact CB-CE2 3.92Å; C84-Y139 PolarHBondContact O-OH 3.41Å
85	E	92.2	Very high	96.2	Very high	118 Å²	118	31.6 Å²	31.6	55%	0.551	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.1	-169.4	65.5	-179.8	158.3	0	0	114.3	S138	E85-S138 WeakPolarHBondContact CA-OG 3.22Å
86	F	95.2	Very high	96.4	Very high	30 Å²	30	31.3 Å²	31.3	13%	0.132	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.3	-176	68	-88.7	0	0	0	113.9	L59 E61 I64 V65 Y81 C84	L59-F86 HydrophobicContact CD2-CE1 4.36Å; L59-F86 HydrophobicContact CD2-CE2 4.29Å; L59-F86 HydrophobicContact CD2-CZ 3.77Å; E61-F86 HydrophobicContact CB-CB 4.08Å; E61-F86 HydrophobicContact CB-CD2 3.7Å; E61-F86 HydrophobicContact CB-CE2 4.26Å; E61-F86 HydrophobicContact CB-CG 3.88Å; E61-F86 HydrophobicContact CG-CB 4.16Å; E61-F86 HydrophobicContact CG-CD1 3.95Å; E61-F86 HydrophobicContact CG-CD2 3.86Å; E61-F86 HydrophobicContact CG-CE1 4.32Å; E61-F86 HydrophobicContact CG-CE2 4.19Å; E61-F86 HydrophobicContact CG-CG 3.72Å; E61-F86 HydrophobicContact CG-CZ 4.42Å; E61-F86 VanDerWaalsContact OE2-CB 3.3Å; E61-F86 WeakPolarHBondContact OE2-CB 3.41Å; I64-F86 HydrophobicContact CB-CE2 4.45Å; I64-F86 HydrophobicContact CG2-CE2 3.94Å; V65-F86 HydrophobicContact CG2-CD2 4.16Å; Y81-F86 AromaticContact CD1-CE1 3.87Å; Y81-F86 HydrophobicContact CD1-CE1 3.87Å; Y81-F86 AromaticContact CD1-CZ 3.95Å; Y81-F86 HydrophobicContact CD1-CZ 3.95Å; Y81-F86 AromaticContact CE1-CE1 3.68Å; Y81-F86 HydrophobicContact CE1-CE1 3.68Å; Y81-F86 AromaticContact CE1-CZ 3.87Å; Y81-F86 HydrophobicContact CE1-CZ 3.87Å; C84-F86 PolarHBondContact O-N 3.35Å
87	F	97.3	Very high	96.5	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	14%	0.143	C	C	.	.	S	Bend	trans	-76.6	140.6	176.1	-59.1	-56.2	0	0	0	110.9	L10 I37 I64 V79 Y81 C84 E89 W91 F92 Y139	L10-F87 HydrophobicContact CD1-CE2 4.24Å; L10-F87 HydrophobicContact CD2-CD2 4.31Å; I37-F87 HydrophobicContact CD1-CE1 4.01Å; I37-F87 HydrophobicContact CD1-CZ 4Å; I37-F87 HydrophobicContact CG1-CE1 4.36Å; I37-F87 HydrophobicContact CG1-CZ 3.85Å; I64-F87 HydrophobicContact CG2-CE1 4.34Å; V79-F87 HydrophobicContact CG1-CE2 4.43Å; V79-F87 HydrophobicContact CG1-CZ 4.23Å; Y81-F87 HydrophobicContact CD1-CE2 4.49Å; Y81-F87 HydrophobicContact CD1-CZ 4.24Å; C84-F87 HydrophobicContact CB-CD2 4.43Å; F87-E89 PolarHBondContact O-N 2.99Å; F87-W91 HydrophobicContact CB-CE3 4.09Å; F87-W91 HydrophobicContact CB-CZ3 4.49Å; F87-W91 AromaticContact CD1-CE3 3.96Å; F87-W91 HydrophobicContact CD1-CE3 3.96Å; F87-W91 AromaticContact CD1-CZ3 3.6Å; F87-W91 HydrophobicContact CD1-CZ3 3.6Å; F87-W91 HydrophobicContact CE1-CZ3 4.29Å; F87-W91 HydrophobicContact CG-CE3 4.32Å; F87-W91 HydrophobicContact CG-CZ3 4.39Å; F87-F92 HydrophobicContact CB-CE2 3.65Å; F87-F92 HydrophobicContact CB-CZ 4.29Å; F87-F92 AromaticContact CD2-CE2 3.89Å; F87-F92 HydrophobicContact CD2-CE2 3.89Å; F87-F92 HydrophobicContact CD2-CZ 4.08Å; F87-F92 AromaticContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CZ 4.14Å; F87-Y139 WeakPolarHBondContact CB-OH 3.2Å
88	P	96.4	Very high	96.5	Very high	34 Å²	34	30.3 Å²	30.3	22%	0.221	14%	0.139	C	C	.	.			trans	-58.2	128.2	172.2	-24.8	33.5	0	0	0	112.3	V65 R90 W91	V65-P88 HydrophobicContact CG1-CG 4.02Å; P88-R90 HydrophobicContact CB-CG 3.98Å; P88-R90 PolarHBondContact O-N 3.5Å; P88-W91 HydrophobicContact CB-CD2 4.35Å; P88-W91 HydrophobicContact CB-CG 4.15Å; P88-W91 HydrophobicContact CG-CD2 4.06Å; P88-W91 HydrophobicContact CG-CG 4.37Å; P88-W91 HydrophobicContact CG-CZ2 4.16Å; P88-W91 VanDerWaalsContact O-CB 3.27Å; P88-W91 WeakPolarHBondContact O-CB 3.43Å; P88-W91 PolarHBondContact O-N 3.35Å
89	E	94.4	Very high	96.5	Very high	109 Å²	109	31.9 Å²	31.9	51%	0.509	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-50.8	-38.5	179.7	-172.7	-176	178.4	0	0	112.7	F87 W91 F92 Y139	F87-E89 PolarHBondContact O-N 2.99Å; E89-W91 PolarHBondContact O-N 3.1Å; E89-F92 PolarHBondContact O-N 3.48Å; E89-Y139 HydrophobicContact CB-CD1 4.48Å; E89-Y139 HydrophobicContact CG-CD1 4Å
90	R	94.6	Very high	96.5	Very high	161 Å²	161	32 Å²	32	61%	0.608	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-62	-11.9	179.6	66.5	171.1	172.6	96	3.8	115.1	E69 P88	E69-R90 IonicContact OE1-CZ 2.75Å; E69-R90 IonicContact OE1-NH1 3.51Å; E69-R90 PolarHBondContact OE1-NH1 3.33Å; E69-R90 IonicContact OE1-NH2 2.7Å; E69-R90 PolarHBondContact OE1-NH2 3.15Å; E69-R90 IonicContact OE2-CZ 3.62Å; E69-R90 IonicContact OE2-NH1 2.75Å; E69-R90 IonicContact OE2-NH2 3.19Å; E69-R90 PolarHBondContact OE2-NH2 3Å; P88-R90 HydrophobicContact CB-CG 3.98Å; P88-R90 PolarHBondContact O-N 3.5Å
91	W	96.8	Very high	96.5	Very high	3 Å²	3	36 Å²	36	1%	0.011	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-77.3	-23.5	-175.9	-82.1	4.2	0	0	0	113.5	N8 V65 L68 E69 M72 F87 P88 E89	N8-W91 WeakPolarHBondContact CB-O 3.42Å; N8-W91 PolarHBondContact ND2-O 3.2Å; V65-W91 HydrophobicContact CB-CH2 4.24Å; V65-W91 HydrophobicContact CG1-CH2 4.04Å; V65-W91 HydrophobicContact CG1-CZ2 3.87Å; V65-W91 HydrophobicContact CG2-CH2 4.3Å; V65-W91 WeakPolarHBondContact O-CH2 3.46Å; L68-W91 HydrophobicContact CB-CH2 3.67Å; L68-W91 HydrophobicContact CB-CZ2 4.47Å; L68-W91 HydrophobicContact CB-CZ3 4.14Å; L68-W91 HydrophobicContact CD1-CZ3 4.5Å; E69-W91 HydrophobicContact CB-CZ2 4.46Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.48Å; E69-W91 PolarHBondContact OE2-NE1 2.78Å; M72-W91 HydrophobicContact CB-CD2 3.79Å; M72-W91 HydrophobicContact CB-CE3 4.33Å; M72-W91 HydrophobicContact CB-CG 3.91Å; M72-W91 HydrophobicContact CB-CZ2 4.27Å; M72-W91 HydrophobicContact CE-CB 3.78Å; M72-W91 HydrophobicContact CE-CD2 4.24Å; M72-W91 HydrophobicContact CE-CE3 4.08Å; M72-W91 HydrophobicContact CE-CG 4.18Å; M72-W91 HydrophobicContact CG-CD2 3.69Å; M72-W91 HydrophobicContact CG-CE3 3.7Å; M72-W91 HydrophobicContact CG-CG 4.22Å; M72-W91 HydrophobicContact CG-CH2 4.07Å; M72-W91 HydrophobicContact CG-CZ2 4.12Å; M72-W91 HydrophobicContact CG-CZ3 3.89Å; F87-W91 HydrophobicContact CB-CE3 4.09Å; F87-W91 HydrophobicContact CB-CZ3 4.49Å; F87-W91 AromaticContact CD1-CE3 3.96Å; F87-W91 HydrophobicContact CD1-CE3 3.96Å; F87-W91 AromaticContact CD1-CZ3 3.6Å; F87-W91 HydrophobicContact CD1-CZ3 3.6Å; F87-W91 HydrophobicContact CE1-CZ3 4.29Å; F87-W91 HydrophobicContact CG-CE3 4.32Å; F87-W91 HydrophobicContact CG-CZ3 4.39Å; P88-W91 HydrophobicContact CB-CD2 4.35Å; P88-W91 HydrophobicContact CB-CG 4.15Å; P88-W91 HydrophobicContact CG-CD2 4.06Å; P88-W91 HydrophobicContact CG-CG 4.37Å; P88-W91 HydrophobicContact CG-CZ2 4.16Å; P88-W91 VanDerWaalsContact O-CB 3.27Å; P88-W91 WeakPolarHBondContact O-CB 3.43Å; P88-W91 PolarHBondContact O-N 3.35Å; E89-W91 PolarHBondContact O-N 3.1Å
92	F	97.8	Very high	96.4	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.048	18%	0.178	C	C	.	.			trans	-122	133.8	-169.5	-56.9	-65.1	0	0	0	113.1	N8 L10 M72 V79 F87 E89 V95 Y139 I143	N8-F92 HydrophobicContact CB-CD1 4.32Å; L10-F92 HydrophobicContact CB-CD1 3.74Å; L10-F92 HydrophobicContact CB-CD2 4.11Å; L10-F92 HydrophobicContact CB-CE1 3.72Å; L10-F92 HydrophobicContact CB-CE2 4.09Å; L10-F92 HydrophobicContact CB-CG 3.94Å; L10-F92 HydrophobicContact CB-CZ 3.9Å; L10-F92 HydrophobicContact CD1-CZ 4.2Å; L10-F92 HydrophobicContact CD2-CD2 4.32Å; L10-F92 HydrophobicContact CD2-CE2 3.97Å; L10-F92 HydrophobicContact CD2-CZ 4.28Å; L10-F92 HydrophobicContact CG-CE2 4.48Å; L10-F92 HydrophobicContact CG-CZ 4.35Å; M72-F92 HydrophobicContact CE-CD1 3.91Å; M72-F92 HydrophobicContact CE-CE1 3.4Å; M72-F92 VanDerWaalsContact CE-CE1 3.4Å; M72-F92 HydrophobicContact CE-CZ 4.03Å; V79-F92 HydrophobicContact CB-CE1 3.84Å; V79-F92 HydrophobicContact CB-CZ 4.1Å; V79-F92 HydrophobicContact CG1-CZ 4.38Å; V79-F92 HydrophobicContact CG2-CE1 3.69Å; V79-F92 HydrophobicContact CG2-CZ 4.09Å; F87-F92 HydrophobicContact CB-CE2 3.65Å; F87-F92 HydrophobicContact CB-CZ 4.29Å; F87-F92 AromaticContact CD2-CE2 3.89Å; F87-F92 HydrophobicContact CD2-CE2 3.89Å; F87-F92 HydrophobicContact CD2-CZ 4.08Å; F87-F92 AromaticContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CE2 3.92Å; F87-F92 HydrophobicContact CG-CZ 4.14Å; E89-F92 PolarHBondContact O-N 3.48Å; F92-V95 HydrophobicContact CB-CG2 4.14Å; F92-Y139 AromaticContact CD2-CE1 3.59Å; F92-Y139 HydrophobicContact CD2-CE1 3.59Å; F92-Y139 AromaticContact CD2-CZ 3.86Å; F92-Y139 HydrophobicContact CE2-CE1 4.28Å; F92-Y139 WeakPolarHBondContact CE2-OH 3.48Å; F92-I143 WeakPolarHBondContact O-CD1 3.39Å
93	D	97.2	Very high	96.5	Very high	55 Å²	55	40 Å²	40	29%	0.294	20%	0.197	S	C	.	.	S	Bend	trans	-88.4	-22.6	171.1	-58.9	-83.7	0	0	0	111.9	P7 N8 I143 W165 W169	P7-D93 VanDerWaalsContact CA-OD2 3.24Å; P7-D93 WeakPolarHBondContact CA-OD2 3.39Å; P7-D93 HydrophobicContact CB-CB 4.04Å; N8-D93 PolarHBondContact N-OD2 3.17Å; N8-D93 PolarHBondContact O-N 3.47Å; D93-I143 WeakPolarHBondContact O-CG2 3.21Å; D93-W165 HydrophobicContact CB-CH2 3.74Å; D93-W165 WeakPolarHBondContact O-CZ2 3.4Å; D93-W169 PolarHBondContact OD1-NE1 2.86Å
94	A	98.4	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.3	170	0	0	0	0	0	112.8	I9 L10 F96 W165	I9-A94 CarbonylContact C-O 3.56Å; I9-A94 VanDerWaalsContact CA-O 3.27Å; I9-A94 WeakPolarHBondContact CA-O 3.18Å; I9-A94 HydrophobicContact CG2-CB 4.04Å; L10-A94 PolarHBondContact N-O 3.48Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.71Å; A94-F96 HydrophobicContact CB-CZ 4.01Å; A94-W165 HydrophobicContact CB-CD2 4.18Å; A94-W165 HydrophobicContact CB-CE3 4.26Å; A94-W165 HydrophobicContact CB-CH2 3.5Å; A94-W165 HydrophobicContact CB-CZ2 3.35Å; A94-W165 HydrophobicContact CB-CZ3 3.95Å
95	V	98.8	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.2	175.7	-179.7	0	0	0	0	108.9	L10 T12 F92 V97 A135 Y139 I143 V144 H145	L10-V95 HydrophobicContact CB-CB 4.47Å; L10-V95 HydrophobicContact CB-CG1 4.26Å; L10-V95 HydrophobicContact CB-CG2 4.16Å; L10-V95 HydrophobicContact CD2-CG1 3.92Å; L10-V95 HydrophobicContact CD2-CG2 4.36Å; L10-V95 HydrophobicContact CG-CG1 4.23Å; L10-V95 CarbonylContact O-C 3.58Å; T12-V95 HydrophobicContact CG2-CG1 4.19Å; F92-V95 HydrophobicContact CB-CG2 4.14Å; V95-V97 HydrophobicContact CG1-CG2 4.24Å; V95-A135 HydrophobicContact CG1-CB 4.14Å; V95-Y139 HydrophobicContact CG1-CD2 4.5Å; V95-Y139 HydrophobicContact CG2-CD1 4.01Å; V95-Y139 HydrophobicContact CG2-CD2 3.89Å; V95-Y139 HydrophobicContact CG2-CE1 4.27Å; V95-Y139 HydrophobicContact CG2-CE2 4.18Å; V95-Y139 HydrophobicContact CG2-CG 3.82Å; V95-I143 HydrophobicContact CG2-CD1 4.34Å; V95-I143 PolarHBondContact N-O 3.08Å; V95-V144 HydrophobicContact CB-CG2 4.34Å; V95-V144 CarbonylContact O-C 3.48Å; V95-V144 WeakPolarHBondContact O-CA 3.33Å; V95-H145 PolarHBondContact O-N 2.93Å
96	F	98.8	Very high	97.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.5	176.5	-61.6	-81.4	0	0	0	110.1	I9 L10 I11 T12 A94 H145 L147 I162 W165	I9-F96 HydrophobicContact CB-CD2 4.47Å; I9-F96 HydrophobicContact CB-CE2 4.29Å; I9-F96 HydrophobicContact CD1-CD2 4.31Å; I9-F96 HydrophobicContact CD1-CE2 4.12Å; I9-F96 HydrophobicContact CG2-CE2 4.28Å; L10-F96 PolarHBondContact O-N 3.25Å; I11-F96 WeakPolarHBondContact CA-O 3.49Å; I11-F96 HydrophobicContact CG1-CB 4.35Å; I11-F96 HydrophobicContact CG1-CD2 4.46Å; T12-F96 PolarHBondContact N-O 3.24Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.71Å; A94-F96 HydrophobicContact CB-CZ 4.01Å; F96-H145 CarbonylContact C-O 3.56Å; F96-H145 WeakPolarHBondContact CA-O 3.46Å; F96-H145 HydrophobicContact CD1-CB 3.55Å; F96-H145 AromaticContact CD1-CD2 3.94Å; F96-H145 HydrophobicContact CE1-CB 3.8Å; F96-H145 AromaticContact CE1-CD2 3.46Å; F96-H145 VanDerWaalsContact CE1-CD2 3.46Å; F96-H145 WeakPolarHBondContact CE1-CD2 3.48Å; F96-H145 AromaticContact CE1-CG 3.86Å; F96-H145 HydrophobicContact CG-CB 4.48Å; F96-H145 AromaticContact CZ-CD2 3.84Å; F96-L147 HydrophobicContact CB-CD1 4.14Å; F96-L147 HydrophobicContact CD1-CD1 3.69Å; F96-L147 HydrophobicContact CD1-CG 4.24Å; F96-L147 HydrophobicContact CG-CD1 4.26Å; F96-I162 HydrophobicContact CB-CD1 4.45Å; F96-I162 HydrophobicContact CD1-CD1 4.41Å; F96-I162 HydrophobicContact CD1-CG1 3.88Å; F96-I162 HydrophobicContact CD2-CD1 4.33Å; F96-I162 HydrophobicContact CD2-CG1 4.07Å; F96-I162 HydrophobicContact CD2-CG2 4.33Å; F96-I162 HydrophobicContact CE1-CG1 3.88Å; F96-I162 HydrophobicContact CE2-CB 4.49Å; F96-I162 HydrophobicContact CE2-CG1 4.07Å; F96-I162 HydrophobicContact CE2-CG2 3.92Å; F96-I162 HydrophobicContact CG-CD1 4.13Å; F96-I162 HydrophobicContact CG-CG1 3.97Å; F96-I162 HydrophobicContact CZ-CB 4.45Å; F96-I162 HydrophobicContact CZ-CG1 3.98Å; F96-I162 HydrophobicContact CZ-CG2 4.28Å; F96-W165 HydrophobicContact CZ-CB 4.23Å; F96-W165 HydrophobicContact CZ-CD2 4.08Å; F96-W165 HydrophobicContact CZ-CE3 4.41Å; F96-W165 AromaticContact CZ-CG 3.95Å; F96-W165 HydrophobicContact CZ-CG 3.95Å
97	V	98.8	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.6	177.8	-171.8	0	0	0	0	109.4	T12 V95 V131 L132 A135 V144 H145 L147	T12-V97 HydrophobicContact CG2-CB 4.38Å; T12-V97 HydrophobicContact CG2-CG1 4.39Å; T12-V97 HydrophobicContact CG2-CG2 3.85Å; V95-V97 HydrophobicContact CG1-CG2 4.24Å; V97-V131 HydrophobicContact CG1-CG1 4.48Å; V97-L132 HydrophobicContact CB-CD1 4Å; V97-L132 HydrophobicContact CG1-CB 4.07Å; V97-L132 HydrophobicContact CG1-CD1 4.08Å; V97-L132 HydrophobicContact CG2-CD1 4.08Å; V97-A135 HydrophobicContact CG2-CB 3.55Å; V97-V144 HydrophobicContact CG2-CG1 4.04Å; V97-H145 PolarHBondContact N-O 2.81Å; V97-L147 PolarHBondContact O-N 3.01Å
98	L	98.8	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.9	176.6	-57.3	-173.4	0	0	0	111.2	I11 T12 T17 K19 I22 L147	I11-L98 HydrophobicContact CG2-CD1 4.13Å; I11-L98 HydrophobicContact CG2-CG 4.2Å; T12-L98 PolarHBondContact O-N 2.84Å; T17-L98 WeakPolarHBondContact CG2-O 3.3Å; K19-L98 HydrophobicContact CB-CD1 4.32Å; K19-L98 HydrophobicContact CG-CD1 3.96Å; I22-L98 HydrophobicContact CD1-CD1 3.76Å; I22-L98 HydrophobicContact CD1-CD2 3.87Å; I22-L98 HydrophobicContact CD1-CG 4.49Å; I22-L98 HydrophobicContact CG1-CD1 4.45Å; L98-L147 CarbonylContact C-O 3.6Å; L98-L147 WeakPolarHBondContact CA-O 3.34Å; L98-L147 HydrophobicContact CD2-CB 3.88Å; L98-L147 HydrophobicContact CD2-CD1 4.17Å
99	R	98.6	Very high	97.6	Very high	33 Å²	33	44.3 Å²	44.3	13%	0.125	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.4	174.5	-61	-64.5	-57	-85	12.9	110.8	E126 E146 L147 I148 N149	R99-E126 WeakPolarHBondContact CA-OE1 3.43Å; R99-E126 IonicContact CZ-OE1 3.8Å; R99-E126 IonicContact NE-OE1 3.97Å; R99-E126 PolarHBondContact NE-OE1 2.77Å; R99-E126 IonicContact NE-OE2 2.73Å; R99-E126 PolarHBondContact NH2-O 3.34Å; R99-E126 IonicContact NH2-OE1 3.97Å; R99-E146 HydrophobicContact CG-CG 3.75Å; R99-E146 WeakPolarHBondContact CG-OE1 3.28Å; R99-E146 IonicContact CZ-OE1 3.57Å; R99-E146 IonicContact NH1-OE1 2.94Å; R99-E146 PolarHBondContact NH1-OE1 2.94Å; R99-L147 PolarHBondContact N-O 3.2Å; R99-I148 HydrophobicContact CB-CD1 3.82Å; R99-N149 PolarHBondContact O-N 2.68Å
100	T	98.7	Very high	97.7	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	21%	0.207	C	C	.	.			trans	-148.3	132	179.3	-60.2	0	0	0	0	111.2	T17 N102 V104 L105 E126 N149 N150	T17-T100 WeakPolarHBondContact CA-OG1 3.45Å; T100-N102 PolarHBondContact O-N 3.5Å; T100-V104 HydrophobicContact CG2-CB 3.87Å; T100-V104 HydrophobicContact CG2-CG1 3.8Å; T100-L105 HydrophobicContact CG2-CB 3.88Å; T100-L105 HydrophobicContact CG2-CD1 4.47Å; T100-E126 PolarHBondContact N-OE1 2.82Å; T100-E126 WeakPolarHBondContact O-CG 3.24Å; T100-N149 PolarHBondContact OG1-O 3.49Å; T100-N150 VanDerWaalsContact CA-OD1 3.28Å; T100-N150 WeakPolarHBondContact CA-OD1 3.16Å; T100-N150 WeakPolarHBondContact CG2-OD1 3.38Å
101	D	98.3	Very high	97.8	Very high	85 Å²	85	38.8 Å²	38.8	46%	0.455	21%	0.21	S	C	.	.			trans	-57.8	137.2	176.3	-67.6	4.4	0	0	0	110.6	T103 V104 L105 N150	D101-T103 PolarHBondContact O-N 3.23Å; D101-T103 VanDerWaalsContact O-N 3.11Å; D101-V104 CarbonylContact O-C 3.55Å; D101-V104 WeakPolarHBondContact O-CA 3.37Å; D101-V104 WeakPolarHBondContact O-CB 3.39Å; D101-V104 PolarHBondContact O-N 3.04Å; D101-L105 PolarHBondContact O-N 3.09Å; D101-N150 PolarHBondContact N-OD1 3.16Å; D101-N150 PolarHBondContact OD1-ND2 3.35Å; D101-N150 PolarHBondContact OD2-ND2 3.07Å; D101-N150 VanDerWaalsContact OD2-ND2 3.12Å
102	N	96.6	Very high	97.6	Very high	54 Å²	54	44.2 Å²	44.2	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-28.7	-176.8	-65.6	-36.4	0	0	0	114	T100 V104 L105 Y106 I123 I127	T100-N102 PolarHBondContact O-N 3.5Å; N102-V104 PolarHBondContact O-N 3.12Å; N102-L105 PolarHBondContact O-N 3.37Å; N102-Y106 WeakPolarHBondContact O-CB 3.37Å; N102-Y106 PolarHBondContact O-N 2.83Å; N102-I123 HydrophobicContact CB-CD1 4.33Å; N102-I123 HydrophobicContact CB-CG2 4.41Å; N102-I127 WeakPolarHBondContact ND2-CG1 3.26Å
103	T	96.6	Very high	97.3	Very high	118 Å²	118	51 Å²	51	72%	0.724	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-23.9	174.5	55.9	0	0	0	0	112.3	D101 P107	D101-T103 PolarHBondContact O-N 3.23Å; D101-T103 VanDerWaalsContact O-N 3.11Å; T103-P107 VanDerWaalsContact O-CD 3.27Å; T103-P107 WeakPolarHBondContact O-CD 3.37Å; T103-P107 WeakPolarHBondContact O-CG 3.49Å
104	V	98.4	Very high	97	Very high	38 Å²	38	52.1 Å²	52.1	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-100.6	-42	176.4	178.2	0	0	0	0	111.2	T100 D101 N102 Y106 P107 R108 N150	T100-V104 HydrophobicContact CG2-CB 3.87Å; T100-V104 HydrophobicContact CG2-CG1 3.8Å; D101-V104 CarbonylContact O-C 3.55Å; D101-V104 WeakPolarHBondContact O-CA 3.37Å; D101-V104 WeakPolarHBondContact O-CB 3.39Å; D101-V104 PolarHBondContact O-N 3.04Å; N102-V104 PolarHBondContact O-N 3.12Å; V104-Y106 PolarHBondContact O-N 2.97Å; V104-P107 VanDerWaalsContact O-CD 3.27Å; V104-P107 WeakPolarHBondContact O-CD 3.43Å; V104-P107 VanDerWaalsContact O-CG 3.25Å; V104-P107 WeakPolarHBondContact O-CG 2.93Å; V104-R108 WeakPolarHBondContact O-CG 3.06Å; V104-R108 PolarHBondContact O-N 2.86Å; V104-N150 WeakPolarHBondContact CG1-O 3.29Å; V104-N150 HydrophobicContact CG2-CB 4.25Å
105	L	98.3	Very high	96.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-39.5	-177.3	-172.6	59.1	0	0	0	111.9	T14 T17 T100 D101 N102 R108 L109 I123 E126	T14-L105 HydrophobicContact CG2-CD2 4.2Å; T17-L105 HydrophobicContact CG2-CD1 4.43Å; T100-L105 HydrophobicContact CG2-CB 3.88Å; T100-L105 HydrophobicContact CG2-CD1 4.47Å; D101-L105 PolarHBondContact O-N 3.09Å; N102-L105 PolarHBondContact O-N 3.37Å; L105-R108 WeakPolarHBondContact O-CB 3.36Å; L105-R108 PolarHBondContact O-N 2.79Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CD2-CD1 4.33Å; L105-L109 HydrophobicContact CG-CD1 3.82Å; L105-L109 HydrophobicContact CG-CG 4.13Å; L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.47Å; L105-I123 HydrophobicContact CB-CD1 3.95Å; L105-I123 HydrophobicContact CD2-CD1 4.08Å; L105-I123 HydrophobicContact CG-CD1 3.94Å; L105-E126 HydrophobicContact CD2-CB 3.63Å; L105-E126 HydrophobicContact CD2-CG 3.65Å
106	Y	98.1	Very high	96.5	Very high	126 Å²	126	65.1 Å²	65.1	49%	0.494	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-52.6	179.4	-176.4	-88.9	0	0	0	113.2	N102 V104 R108 L109 T110 V119 I123	N102-Y106 WeakPolarHBondContact O-CB 3.37Å; N102-Y106 PolarHBondContact O-N 2.83Å; V104-Y106 PolarHBondContact O-N 2.97Å; Y106-R108 VanDerWaalsContact C-N 3.31Å; Y106-R108 PolarHBondContact O-N 2.81Å; Y106-L109 PolarHBondContact O-N 2.78Å; Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CE1-CG2 3.68Å; Y106-T110 HydrophobicContact CE2-CG2 4.29Å; Y106-T110 WeakPolarHBondContact O-CG2 3.26Å; Y106-T110 PolarHBondContact O-N 3.12Å; Y106-T110 PolarHBondContact O-OG1 2.98Å; Y106-V119 HydrophobicContact CD2-CG1 3.66Å; Y106-V119 HydrophobicContact CE2-CG1 3.65Å; Y106-I123 HydrophobicContact CD2-CG1 4.2Å
107	P	97.3	Very high	96.2	Very high	65 Å²	65	71 Å²	71	42%	0.422	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-35.1	175.2	20.9	-30.2	0	0	0	112.8	T103 V104 T110 S111	T103-P107 VanDerWaalsContact O-CD 3.27Å; T103-P107 WeakPolarHBondContact O-CD 3.37Å; T103-P107 WeakPolarHBondContact O-CG 3.49Å; V104-P107 VanDerWaalsContact O-CD 3.27Å; V104-P107 WeakPolarHBondContact O-CD 3.43Å; V104-P107 VanDerWaalsContact O-CG 3.25Å; V104-P107 WeakPolarHBondContact O-CG 2.93Å; P107-T110 VanDerWaalsContact CA-OG1 3.29Å; P107-T110 WeakPolarHBondContact CA-OG1 3.35Å; P107-T110 PolarHBondContact O-OG1 3.4Å; P107-T110 VanDerWaalsContact O-OG1 3.05Å; P107-S111 WeakPolarHBondContact O-CB 3.4Å; P107-S111 PolarHBondContact O-N 2.88Å
108	R	97.4	Very high	95.9	Very high	67 Å²	67	74.7 Å²	74.7	25%	0.253	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-45.2	174.2	-71	178.1	-176.1	176.4	5.2	111.7	G16 V104 L105 Y106 S111 N149 N150	G16-R108 VanDerWaalsContact O-CD 3.26Å; G16-R108 WeakPolarHBondContact O-CD 3.44Å; G16-R108 PolarHBondContact O-NH1 3.34Å; V104-R108 WeakPolarHBondContact O-CG 3.06Å; V104-R108 PolarHBondContact O-N 2.86Å; L105-R108 WeakPolarHBondContact O-CB 3.36Å; L105-R108 PolarHBondContact O-N 2.79Å; Y106-R108 VanDerWaalsContact C-N 3.31Å; Y106-R108 PolarHBondContact O-N 2.81Å; R108-S111 PolarHBondContact O-N 3.03Å; R108-S111 PolarHBondContact O-OG 3.22Å; R108-N149 PolarHBondContact NH1-O 3.33Å; R108-N149 PolarHBondContact NH2-O 3.36Å; R108-N150 VanDerWaalsContact NH2-C 3.33Å; R108-N150 PolarHBondContact NH2-O 2.62Å
109	L	97.1	Very high	95.8	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-69.1	-44.7	179.5	-74.5	176.3	0	0	0	112.7	P15 L105 Y106 S111 R112 Y114 V119 L122 I123	P15-L109 VanDerWaalsContact O-CD2 3.24Å; P15-L109 WeakPolarHBondContact O-CD2 3.49Å; L105-L109 HydrophobicContact CD1-CD1 4.26Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CD2-CD1 4.33Å; L105-L109 HydrophobicContact CG-CD1 3.82Å; L105-L109 HydrophobicContact CG-CG 4.13Å; L105-L109 WeakPolarHBondContact O-CB 3.44Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.47Å; Y106-L109 PolarHBondContact O-N 2.78Å; L109-S111 PolarHBondContact O-N 3.28Å; L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 PolarHBondContact O-N 3.49Å; L109-Y114 HydrophobicContact CD2-CD2 4.18Å; L109-Y114 HydrophobicContact CD2-CE2 3.98Å; L109-V119 HydrophobicContact CB-CG1 4.09Å; L109-V119 HydrophobicContact CB-CG2 4.18Å; L109-V119 HydrophobicContact CD1-CG1 4.48Å; L109-L122 HydrophobicContact CD1-CB 3.68Å; L109-L122 HydrophobicContact CD1-CD1 4.33Å; L109-L122 HydrophobicContact CD2-CD1 3.71Å; L109-I123 HydrophobicContact CD1-CD1 4.06Å; L109-I123 HydrophobicContact CD1-CG1 4.04Å
110	T	95.9	Very high	95.7	Very high	58 Å²	58	76.7 Å²	76.7	36%	0.356	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-33.2	176.1	51.3	0	0	0	0	112.4	Y106 P107 R112 N113 V119	Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CE1-CG2 3.68Å; Y106-T110 HydrophobicContact CE2-CG2 4.29Å; Y106-T110 WeakPolarHBondContact O-CG2 3.26Å; Y106-T110 PolarHBondContact O-N 3.12Å; Y106-T110 PolarHBondContact O-OG1 2.98Å; P107-T110 VanDerWaalsContact CA-OG1 3.29Å; P107-T110 WeakPolarHBondContact CA-OG1 3.35Å; P107-T110 PolarHBondContact O-OG1 3.4Å; P107-T110 VanDerWaalsContact O-OG1 3.05Å; T110-R112 PolarHBondContact O-N 2.8Å; T110-N113 PolarHBondContact O-N 3.02Å; T110-N113 VanDerWaalsContact O-N 3.12Å; T110-V119 HydrophobicContact CG2-CG1 4.05Å; T110-V119 HydrophobicContact CG2-CG2 4.2Å
111	S	96.9	Very high	95.6	Very high	96 Å²	96	80.8 Å²	80.8	67%	0.671	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.4	174.3	79.2	0	0	0	0	114.1	P107 R108 L109 N113	P107-S111 WeakPolarHBondContact O-CB 3.4Å; P107-S111 PolarHBondContact O-N 2.88Å; R108-S111 PolarHBondContact O-N 3.03Å; R108-S111 PolarHBondContact O-OG 3.22Å; L109-S111 PolarHBondContact O-N 3.28Å; S111-N113 VanDerWaalsContact C-N 3.25Å; S111-N113 PolarHBondContact O-N 2.76Å
112	R	93.1	Very high	95.5	Very high	117 Å²	117	78 Å²	78	44%	0.442	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3.9	175.1	-62.4	178.6	174.8	-152.3	-6.3	113.5	L109 T110 Y114	L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 PolarHBondContact O-N 3.49Å; T110-R112 PolarHBondContact O-N 2.8Å; R112-Y114 HydrophobicContact CB-CD1 4.33Å; R112-Y114 HydrophobicContact CB-CD2 4.12Å; R112-Y114 HydrophobicContact CB-CE1 4.16Å; R112-Y114 HydrophobicContact CB-CE2 3.94Å; R112-Y114 HydrophobicContact CB-CG 4.31Å; R112-Y114 HydrophobicContact CG-CE2 4.48Å; R112-Y114 PolarHBondContact O-N 3.33Å
113	N	90.4	Very high	95.5	Very high	154 Å²	154	76.5 Å²	76.5	82%	0.824	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	29.1	177	-140.3	82.6	0	0	0	113.8	T110 S111	T110-N113 PolarHBondContact O-N 3.02Å; T110-N113 VanDerWaalsContact O-N 3.12Å; S111-N113 VanDerWaalsContact C-N 3.25Å; S111-N113 PolarHBondContact O-N 2.76Å
114	Y	91.1	Very high	95.6	Very high	78 Å²	78	76.1 Å²	76.1	31%	0.306	38%	0.377	S	S	.	.			trans	-71.3	156.7	171	-65.9	-25.1	0	0	0	111.6	L109 R112 K118 L122	L109-Y114 HydrophobicContact CD2-CD2 4.18Å; L109-Y114 HydrophobicContact CD2-CE2 3.98Å; R112-Y114 HydrophobicContact CB-CD1 4.33Å; R112-Y114 HydrophobicContact CB-CD2 4.12Å; R112-Y114 HydrophobicContact CB-CE1 4.16Å; R112-Y114 HydrophobicContact CB-CE2 3.94Å; R112-Y114 HydrophobicContact CB-CG 4.31Å; R112-Y114 HydrophobicContact CG-CE2 4.48Å; R112-Y114 PolarHBondContact O-N 3.33Å; Y114-K118 HydrophobicContact CD1-CD 3.99Å; Y114-K118 HydrophobicContact CD2-CD 4.28Å; Y114-K118 HydrophobicContact CD2-CG 4.27Å; Y114-K118 HydrophobicContact CE1-CD 4.5Å; Y114-K118 HydrophobicContact CG-CD 3.89Å; Y114-K118 HydrophobicContact CG-CG 4.17Å; Y114-L122 HydrophobicContact CD2-CD1 4.08Å; Y114-L122 HydrophobicContact CE2-CD1 3.97Å
115	S	92.3	Very high	95.5	Very high	62 Å²	62	76.3 Å²	76.3	43%	0.434	38%	0.38	S	S	.	.			trans	-62.2	158.7	170.9	66	0	0	0	0	111	E117 K118 V119	S115-E117 WeakPolarHBondContact CB-OE2 3.16Å; S115-E117 PolarHBondContact O-N 2.92Å; S115-K118 PolarHBondContact O-N 3.32Å; S115-K118 VanDerWaalsContact OG-CB 3.31Å; S115-K118 WeakPolarHBondContact OG-CB 3.23Å; S115-K118 PolarHBondContact OG-N 2.9Å; S115-K118 VanDerWaalsContact OG-N 3.17Å; S115-V119 WeakPolarHBondContact O-CG2 3.44Å; S115-V119 PolarHBondContact O-N 3.13Å
116	R	94.3	Very high	95.5	Very high	210 Å²	210	76.7 Å²	76.7	79%	0.792	38%	0.381	S	S	*	.	H	α-helix	trans	-62.7	-36.7	179.5	-70.3	-173.6	-176.1	-169	2.2	111.2	V119 S120	R116-V119 PolarHBondContact O-N 3.01Å; R116-S120 WeakPolarHBondContact O-CB 3.37Å; R116-S120 PolarHBondContact O-N 3.17Å
117	E	93.9	Very high	95.5	Very high	126 Å²	126	75.4 Å²	75.4	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-61.4	-54.1	177.3	-61	69.9	-151.6	0	0	109.4	S115 V119 S120 D121	S115-E117 WeakPolarHBondContact CB-OE2 3.16Å; S115-E117 PolarHBondContact O-N 2.92Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.41Å; E117-S120 WeakPolarHBondContact O-CA 3.36Å; E117-S120 VanDerWaalsContact O-CB 3.3Å; E117-S120 WeakPolarHBondContact O-CB 3.34Å; E117-S120 PolarHBondContact O-N 3.02Å; E117-D121 VanDerWaalsContact O-CG 3.27Å; E117-D121 PolarHBondContact O-N 3.1Å
118	K	92.8	Very high	95.6	Very high	77 Å²	77	75.2 Å²	75.2	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-39.5	177.6	180	166	-174.4	157.1	0	113.1	Y114 S115 D121 L122	Y114-K118 HydrophobicContact CD1-CD 3.99Å; Y114-K118 HydrophobicContact CD2-CD 4.28Å; Y114-K118 HydrophobicContact CD2-CG 4.27Å; Y114-K118 HydrophobicContact CE1-CD 4.5Å; Y114-K118 HydrophobicContact CG-CD 3.89Å; Y114-K118 HydrophobicContact CG-CG 4.17Å; S115-K118 PolarHBondContact O-N 3.32Å; S115-K118 VanDerWaalsContact OG-CB 3.31Å; S115-K118 WeakPolarHBondContact OG-CB 3.23Å; S115-K118 PolarHBondContact OG-N 2.9Å; S115-K118 VanDerWaalsContact OG-N 3.17Å; K118-D121 PolarHBondContact O-N 3.14Å; K118-L122 HydrophobicContact CG-CD1 4.16Å; K118-L122 WeakPolarHBondContact O-CB 3.3Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.37Å; K118-L122 PolarHBondContact O-N 3.32Å; K118-L122 VanDerWaalsContact O-N 3.08Å
119	V	96.4	Very high	95.6	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-43.5	174.3	174.8	0	0	0	0	110.6	Y106 L109 T110 S115 R116 E117 I123	Y106-V119 HydrophobicContact CD2-CG1 3.66Å; Y106-V119 HydrophobicContact CE2-CG1 3.65Å; L109-V119 HydrophobicContact CB-CG1 4.09Å; L109-V119 HydrophobicContact CB-CG2 4.18Å; L109-V119 HydrophobicContact CD1-CG1 4.48Å; T110-V119 HydrophobicContact CG2-CG1 4.05Å; T110-V119 HydrophobicContact CG2-CG2 4.2Å; S115-V119 WeakPolarHBondContact O-CG2 3.44Å; S115-V119 PolarHBondContact O-N 3.13Å; R116-V119 PolarHBondContact O-N 3.01Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.41Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CB 3.33Å; V119-I123 WeakPolarHBondContact O-CG1 3.15Å; V119-I123 PolarHBondContact O-N 3.25Å
120	S	96.4	Very high	95.6	Very high	72 Å²	72	77.5 Å²	77.5	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-44.4	177.4	-172.5	0	0	0	0	111.6	R116 E117 I123 H124	R116-S120 WeakPolarHBondContact O-CB 3.37Å; R116-S120 PolarHBondContact O-N 3.17Å; E117-S120 WeakPolarHBondContact O-CA 3.36Å; E117-S120 VanDerWaalsContact O-CB 3.3Å; E117-S120 WeakPolarHBondContact O-CB 3.34Å; E117-S120 PolarHBondContact O-N 3.02Å; S120-I123 PolarHBondContact O-N 2.75Å; S120-H124 WeakPolarHBondContact O-CB 3.41Å; S120-H124 PolarHBondContact O-N 2.95Å
121	D	95.6	Very high	95.7	Very high	90 Å²	90	75.2 Å²	75.2	48%	0.481	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-47.4	-179.7	-62.8	-23	0	0	0	111.1	E117 K118 I123 H124 C125	E117-D121 VanDerWaalsContact O-CG 3.27Å; E117-D121 PolarHBondContact O-N 3.1Å; K118-D121 PolarHBondContact O-N 3.14Å; D121-I123 VanDerWaalsContact C-N 3.34Å; D121-I123 PolarHBondContact O-N 3.07Å; D121-H124 WeakPolarHBondContact O-CB 3.45Å; D121-H124 PolarHBondContact O-N 3.38Å; D121-H124 VanDerWaalsContact O-N 3.12Å; D121-C125 PolarHBondContact O-N 2.97Å; D121-C125 PolarHBondContact O-SG 3.34Å
122	L	95.9	Very high	95.8	Very high	27 Å²	27	70.8 Å²	70.8	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-35.2	177.9	-68	175.7	0	0	0	112.9	T14 P15 L109 Y114 K118 C125 E126	T14-L122 HydrophobicContact CG2-CB 4.43Å; T14-L122 WeakPolarHBondContact CG2-O 3.24Å; P15-L122 HydrophobicContact CB-CD1 4.18Å; P15-L122 HydrophobicContact CB-CD2 4.35Å; P15-L122 HydrophobicContact CG-CD2 3.85Å; L109-L122 HydrophobicContact CD1-CB 3.68Å; L109-L122 HydrophobicContact CD1-CD1 4.33Å; L109-L122 HydrophobicContact CD2-CD1 3.71Å; Y114-L122 HydrophobicContact CD2-CD1 4.08Å; Y114-L122 HydrophobicContact CE2-CD1 3.97Å; K118-L122 HydrophobicContact CG-CD1 4.16Å; K118-L122 WeakPolarHBondContact O-CB 3.3Å; K118-L122 VanDerWaalsContact O-CG 3.29Å; K118-L122 WeakPolarHBondContact O-CG 3.37Å; K118-L122 PolarHBondContact O-N 3.32Å; K118-L122 VanDerWaalsContact O-N 3.08Å; L122-C125 PolarHBondContact O-N 3.33Å; L122-E126 PolarHBondContact O-N 3.47Å; L122-E126 VanDerWaalsContact O-N 3.1Å
123	I	98.3	Very high	96	Very high	22 Å²	22	67.9 Å²	67.9	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-40	172.7	-70.3	-72	0	0	0	110.7	N102 L105 Y106 L109 V119 S120 D121 E126 I127	N102-I123 HydrophobicContact CB-CD1 4.33Å; N102-I123 HydrophobicContact CB-CG2 4.41Å; L105-I123 HydrophobicContact CB-CD1 3.95Å; L105-I123 HydrophobicContact CD2-CD1 4.08Å; L105-I123 HydrophobicContact CG-CD1 3.94Å; Y106-I123 HydrophobicContact CD2-CG1 4.2Å; L109-I123 HydrophobicContact CD1-CD1 4.06Å; L109-I123 HydrophobicContact CD1-CG1 4.04Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CB 3.33Å; V119-I123 WeakPolarHBondContact O-CG1 3.15Å; V119-I123 PolarHBondContact O-N 3.25Å; S120-I123 PolarHBondContact O-N 2.75Å; D121-I123 VanDerWaalsContact C-N 3.34Å; D121-I123 PolarHBondContact O-N 3.07Å; I123-E126 PolarHBondContact O-N 2.84Å; I123-I127 HydrophobicContact CG2-CD1 3.85Å; I123-I127 HydrophobicContact CG2-CG1 4.45Å; I123-I127 VanDerWaalsContact O-CG1 3.28Å; I123-I127 WeakPolarHBondContact O-CG1 3.23Å; I123-I127 PolarHBondContact O-N 2.83Å
124	H	97.9	Very high	96.4	Very high	110 Å²	110	62.2 Å²	62.2	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.8	-174	65.2	0	0	0	111.4	S120 D121 E126 I127 V128	S120-H124 WeakPolarHBondContact O-CB 3.41Å; S120-H124 PolarHBondContact O-N 2.95Å; D121-H124 WeakPolarHBondContact O-CB 3.45Å; D121-H124 PolarHBondContact O-N 3.38Å; D121-H124 VanDerWaalsContact O-N 3.12Å; H124-E126 VanDerWaalsContact C-N 3.27Å; H124-E126 PolarHBondContact O-N 3.39Å; H124-I127 WeakPolarHBondContact O-CB 3.28Å; H124-I127 PolarHBondContact O-N 2.85Å; H124-I127 VanDerWaalsContact O-N 3.11Å; H124-V128 VanDerWaalsContact CE1-CG1 3.5Å; H124-V128 WeakPolarHBondContact CE1-CG1 3.39Å; H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 2.89Å
125	C	96.9	Very high	96.7	Very high	43 Å²	43	58.5 Å²	58.5	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-54.3	-42.3	173.7	-68.6	0	0	0	0	112.2	D121 L122 Q129 V130	D121-C125 PolarHBondContact O-N 2.97Å; D121-C125 PolarHBondContact O-SG 3.34Å; L122-C125 PolarHBondContact O-N 3.33Å; C125-Q129 PolarHBondContact O-N 2.88Å; C125-V130 HydrophobicContact CB-CG2 4.18Å; C125-V130 PolarHBondContact O-N 2.87Å; C125-V130 VanDerWaalsContact O-N 3.12Å
126	E	98.2	Very high	97	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-39.6	176.7	-176.8	62.8	-161.1	0	0	112.8	T14 R99 T100 L105 L122 I123 H124 Q129	T14-E126 WeakPolarHBondContact CB-OE2 3.28Å; T14-E126 HydrophobicContact CG2-CB 4.28Å; T14-E126 PolarHBondContact OG1-OE2 3.18Å; R99-E126 WeakPolarHBondContact CA-OE1 3.43Å; R99-E126 IonicContact CZ-OE1 3.8Å; R99-E126 IonicContact NE-OE1 3.97Å; R99-E126 PolarHBondContact NE-OE1 2.77Å; R99-E126 IonicContact NE-OE2 2.73Å; R99-E126 PolarHBondContact NH2-O 3.34Å; R99-E126 IonicContact NH2-OE1 3.97Å; T100-E126 PolarHBondContact N-OE1 2.82Å; T100-E126 WeakPolarHBondContact O-CG 3.24Å; L105-E126 HydrophobicContact CD2-CB 3.63Å; L105-E126 HydrophobicContact CD2-CG 3.65Å; L122-E126 PolarHBondContact O-N 3.47Å; L122-E126 VanDerWaalsContact O-N 3.1Å; I123-E126 PolarHBondContact O-N 2.84Å; H124-E126 VanDerWaalsContact C-N 3.27Å; H124-E126 PolarHBondContact O-N 3.39Å; E126-Q129 PolarHBondContact O-N 3.16Å
127	I	98.2	Very high	97.1	Very high	98 Å²	98	59 Å²	59	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-47.5	177.4	-72.1	165	0	0	0	110.9	N102 I123 H124 Q129	N102-I127 WeakPolarHBondContact ND2-CG1 3.26Å; I123-I127 HydrophobicContact CG2-CD1 3.85Å; I123-I127 HydrophobicContact CG2-CG1 4.45Å; I123-I127 VanDerWaalsContact O-CG1 3.28Å; I123-I127 WeakPolarHBondContact O-CG1 3.23Å; I123-I127 PolarHBondContact O-N 2.83Å; H124-I127 WeakPolarHBondContact O-CB 3.28Å; H124-I127 PolarHBondContact O-N 2.85Å; H124-I127 VanDerWaalsContact O-N 3.11Å; I127-Q129 PolarHBondContact O-N 2.82Å
128	V	98	Very high	97.2	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.37	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.8	-179.7	-50.2	0	0	0	0	112.3	H124 V130	H124-V128 VanDerWaalsContact CE1-CG1 3.5Å; H124-V128 WeakPolarHBondContact CE1-CG1 3.39Å; H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 2.89Å; V128-V130 HydrophobicContact CG2-CG2 3.47Å; V128-V130 VanDerWaalsContact CG2-CG2 3.47Å; V128-V130 PolarHBondContact O-N 2.7Å; V128-V130 VanDerWaalsContact O-N 3.12Å
129	Q	97.5	Very high	97.5	Very high	65 Å²	65	51.3 Å²	51.3	30%	0.304	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	33.2	169.5	69.1	178.1	46.7	0	0	115.8	C125 E126 I127 V131 L132 D133	C125-Q129 PolarHBondContact O-N 2.88Å; E126-Q129 PolarHBondContact O-N 3.16Å; I127-Q129 PolarHBondContact O-N 2.82Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.19Å; Q129-V131 VanDerWaalsContact O-N 3.15Å; Q129-L132 HydrophobicContact CB-CB 4.25Å; Q129-L132 HydrophobicContact CB-CD2 4.49Å; Q129-L132 WeakPolarHBondContact O-CB 3.27Å; Q129-L132 PolarHBondContact O-N 3.15Å; Q129-D133 PolarHBondContact NE2-OD1 3.36Å; Q129-D133 PolarHBondContact O-N 3.22Å; Q129-D133 VanDerWaalsContact O-N 3.07Å
130	V	98.3	Very high	97.5	Very high	50 Å²	50	55.1 Å²	55.1	30%	0.303	29%	0.287	S	S	.	.	H	α-helix	trans	-45.7	-53.6	-172.8	178.4	0	0	0	0	112.4	C125 V128 L132 D133 E134	C125-V130 HydrophobicContact CB-CG2 4.18Å; C125-V130 PolarHBondContact O-N 2.87Å; C125-V130 VanDerWaalsContact O-N 3.12Å; V128-V130 HydrophobicContact CG2-CG2 3.47Å; V128-V130 VanDerWaalsContact CG2-CG2 3.47Å; V128-V130 PolarHBondContact O-N 2.7Å; V128-V130 VanDerWaalsContact O-N 3.12Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 3.31Å; V130-D133 PolarHBondContact O-N 2.91Å; V130-D133 VanDerWaalsContact O-N 3.16Å; V130-E134 HydrophobicContact CG1-CG 4.48Å; V130-E134 VanDerWaalsContact CG1-OE1 3.3Å; V130-E134 WeakPolarHBondContact CG1-OE1 3.33Å; V130-E134 PolarHBondContact O-N 3.08Å
131	V	98	Very high	97.4	Very high	11 Å²	11	55 Å²	55	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-27.5	-175.1	-171.5	0	0	0	0	113	T12 H82 V97 Q129 A135	T12-V131 HydrophobicContact CG2-CG1 3.85Å; T12-V131 VanDerWaalsContact OG1-CG1 3.23Å; T12-V131 WeakPolarHBondContact OG1-CG1 3.47Å; H82-V131 WeakPolarHBondContact O-CG2 3.33Å; V97-V131 HydrophobicContact CG1-CG1 4.48Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.19Å; Q129-V131 VanDerWaalsContact O-N 3.15Å; V131-A135 WeakPolarHBondContact O-CB 3.41Å; V131-A135 PolarHBondContact O-N 3.12Å; V131-A135 VanDerWaalsContact O-N 3.15Å
132	L	98.4	Very high	97.4	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-73.9	-39	175	178.9	62.6	0	0	0	111.4	V97 Q129 V130 A135 R136 E146	V97-L132 HydrophobicContact CB-CD1 4Å; V97-L132 HydrophobicContact CG1-CB 4.07Å; V97-L132 HydrophobicContact CG1-CD1 4.08Å; V97-L132 HydrophobicContact CG2-CD1 4.08Å; Q129-L132 HydrophobicContact CB-CB 4.25Å; Q129-L132 HydrophobicContact CB-CD2 4.49Å; Q129-L132 WeakPolarHBondContact O-CB 3.27Å; Q129-L132 PolarHBondContact O-N 3.15Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 3.31Å; L132-A135 PolarHBondContact O-N 3.13Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 2.9Å; L132-E146 HydrophobicContact CD1-CB 4.22Å; L132-E146 HydrophobicContact CD1-CG 4.32Å; L132-E146 VanDerWaalsContact CD2-CD 3.45Å; L132-E146 HydrophobicContact CD2-CG 4.29Å; L132-E146 WeakPolarHBondContact CD2-OE1 3.49Å; L132-E146 WeakPolarHBondContact CD2-OE2 3.27Å
133	D	98.2	Very high	97.5	Very high	57 Å²	57	57.6 Å²	57.6	31%	0.305	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-45.4	177.1	-69.2	-14.5	0	0	0	110.2	Q129 V130 A135 R136 E137	Q129-D133 PolarHBondContact NE2-OD1 3.36Å; Q129-D133 PolarHBondContact O-N 3.22Å; Q129-D133 VanDerWaalsContact O-N 3.07Å; V130-D133 PolarHBondContact O-N 2.91Å; V130-D133 VanDerWaalsContact O-N 3.16Å; D133-A135 VanDerWaalsContact C-N 3.32Å; D133-A135 PolarHBondContact O-N 3.49Å; D133-R136 PolarHBondContact O-N 3.33Å; D133-R136 VanDerWaalsContact O-N 3.08Å; D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 WeakPolarHBondContact O-CG 3.46Å; D133-E137 PolarHBondContact O-N 2.91Å
134	E	97.6	Very high	97.5	Very high	35 Å²	35	57.4 Å²	57.4	16%	0.164	30%	0.304	C	S	.	.	H	α-helix	trans	-50.8	-50.5	171	-75	175.7	-156.2	0	0	111.2	S83 V130 R136 E137 S138	S83-E134 PolarHBondContact OG-OE2 3.13Å; S83-E134 VanDerWaalsContact OG-OE2 3.12Å; V130-E134 HydrophobicContact CG1-CG 4.48Å; V130-E134 VanDerWaalsContact CG1-OE1 3.3Å; V130-E134 WeakPolarHBondContact CG1-OE1 3.33Å; V130-E134 PolarHBondContact O-N 3.08Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.25Å; E134-E137 PolarHBondContact O-N 2.8Å; E134-S138 WeakPolarHBondContact O-CB 3.25Å; E134-S138 PolarHBondContact O-N 3.05Å; E134-S138 PolarHBondContact O-OG 3.01Å
135	A	98.4	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-38.1	-180	0	0	0	0	0	112.9	C84 V95 V97 V131 L132 D133 E137 Y139 V144	C84-A135 VanDerWaalsContact SG-CA 3.59Å; V95-A135 HydrophobicContact CG1-CB 4.14Å; V97-A135 HydrophobicContact CG2-CB 3.55Å; V131-A135 WeakPolarHBondContact O-CB 3.41Å; V131-A135 PolarHBondContact O-N 3.12Å; V131-A135 VanDerWaalsContact O-N 3.15Å; L132-A135 PolarHBondContact O-N 3.13Å; D133-A135 VanDerWaalsContact C-N 3.32Å; D133-A135 PolarHBondContact O-N 3.49Å; A135-E137 VanDerWaalsContact C-N 3.32Å; A135-Y139 WeakPolarHBondContact O-CB 3.39Å; A135-Y139 WeakPolarHBondContact O-CD2 3.24Å; A135-Y139 PolarHBondContact O-N 3.12Å; A135-Y139 VanDerWaalsContact O-N 3.13Å; A135-V144 HydrophobicContact CB-CG1 4.07Å; A135-V144 WeakPolarHBondContact O-CG2 3.33Å
136	R	97.6	Very high	97.6	Very high	116 Å²	116	56.4 Å²	56.4	44%	0.438	30%	0.295	S	S	.	.	H	α-helix	trans	-74.2	-24	178.9	-75.4	176	172.2	151.6	5.8	113.1	L132 D133 E134 V144 E146	L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 2.9Å; D133-R136 PolarHBondContact O-N 3.33Å; D133-R136 VanDerWaalsContact O-N 3.08Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.25Å; R136-V144 HydrophobicContact CG-CG1 4.22Å; R136-E146 IonicContact NH2-OE2 3.09Å; R136-E146 PolarHBondContact NH2-OE2 3.47Å; R136-E146 VanDerWaalsContact NH2-OE2 3.09Å
137	E	97.2	Very high	97.6	Very high	166 Å²	166	56.3 Å²	56.3	78%	0.776	29%	0.294	S	S	*	.	H	α-helix	trans	-85.7	-33.6	176.9	-70.9	177.6	-175.4	0	0	112	D133 E134 A135	D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 WeakPolarHBondContact O-CG 3.46Å; D133-E137 PolarHBondContact O-N 2.91Å; E134-E137 PolarHBondContact O-N 2.8Å; A135-E137 VanDerWaalsContact C-N 3.32Å
138	S	96.7	Very high	97.6	Very high	33 Å²	33	55.4 Å²	55.4	23%	0.231	29%	0.29	C	S	.	.	H	α-helix	trans	-87.6	-23.3	-177.9	-56.6	0	0	0	0	114.7	E85 E134	E85-S138 WeakPolarHBondContact CA-OG 3.22Å; E134-S138 WeakPolarHBondContact O-CB 3.25Å; E134-S138 PolarHBondContact O-N 3.05Å; E134-S138 PolarHBondContact O-OG 3.01Å
139	Y	97.5	Very high	97.7	Very high	8 Å²	8	52.6 Å²	52.6	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-129.9	155.1	-174.1	-56.1	-81.8	0	0	0	112.3	L10 C84 F87 E89 F92 V95 A135 A141 I143	L10-Y139 HydrophobicContact CD2-CE2 4.37Å; C84-Y139 HydrophobicContact CB-CE2 3.92Å; C84-Y139 PolarHBondContact O-OH 3.41Å; F87-Y139 WeakPolarHBondContact CB-OH 3.2Å; E89-Y139 HydrophobicContact CB-CD1 4.48Å; E89-Y139 HydrophobicContact CG-CD1 4Å; F92-Y139 AromaticContact CD2-CE1 3.59Å; F92-Y139 HydrophobicContact CD2-CE1 3.59Å; F92-Y139 AromaticContact CD2-CZ 3.86Å; F92-Y139 HydrophobicContact CE2-CE1 4.28Å; F92-Y139 WeakPolarHBondContact CE2-OH 3.48Å; V95-Y139 HydrophobicContact CG1-CD2 4.5Å; V95-Y139 HydrophobicContact CG2-CD1 4.01Å; V95-Y139 HydrophobicContact CG2-CD2 3.89Å; V95-Y139 HydrophobicContact CG2-CE1 4.27Å; V95-Y139 HydrophobicContact CG2-CE2 4.18Å; V95-Y139 HydrophobicContact CG2-CG 3.82Å; A135-Y139 WeakPolarHBondContact O-CB 3.39Å; A135-Y139 WeakPolarHBondContact O-CD2 3.24Å; A135-Y139 PolarHBondContact O-N 3.12Å; A135-Y139 VanDerWaalsContact O-N 3.13Å; Y139-A141 PolarHBondContact O-N 3.21Å; Y139-I143 HydrophobicContact CD1-CD1 4.33Å
140	N	96.3	Very high	97.7	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	27%	0.265	S	S	.	.			trans	-54.9	128.7	169.6	-172.5	-31.4	0	0	0	111	D142 I143	N140-D142 PolarHBondContact O-N 3.31Å; N140-D142 PolarHBondContact OD1-N 3.05Å; N140-I143 HydrophobicContact CB-CG1 4.49Å; N140-I143 WeakPolarHBondContact O-CG1 3.4Å; N140-I143 PolarHBondContact O-N 3.05Å
141	A	94.5	Very high	97.7	Very high	70 Å²	70	50.9 Å²	50.9	58%	0.579	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-54.1	-27.7	-179.6	0	0	0	0	0	113.9	Y139 I143 V144	Y139-A141 PolarHBondContact O-N 3.21Å; A141-I143 VanDerWaalsContact C-N 3.25Å; A141-I143 PolarHBondContact O-N 3.5Å; A141-V144 PolarHBondContact O-N 3.47Å
142	D	96.2	Very high	97.7	Very high	134 Å²	134	55 Å²	55	72%	0.717	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24.3	-179.8	-68.5	-23.6	0	0	0	113.2	N140	N140-D142 PolarHBondContact O-N 3.31Å; N140-D142 PolarHBondContact OD1-N 3.05Å
143	I	96.9	Very high	97.7	Very high	38 Å²	38	61.6 Å²	61.6	20%	0.195	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-100.8	-4.8	179.6	70.7	160.3	0	0	0	113	F92 D93 V95 Y139 N140 A141 H145	F92-I143 WeakPolarHBondContact O-CD1 3.39Å; D93-I143 WeakPolarHBondContact O-CG2 3.21Å; V95-I143 HydrophobicContact CG2-CD1 4.34Å; V95-I143 PolarHBondContact N-O 3.08Å; Y139-I143 HydrophobicContact CD1-CD1 4.33Å; N140-I143 HydrophobicContact CB-CG1 4.49Å; N140-I143 WeakPolarHBondContact O-CG1 3.4Å; N140-I143 PolarHBondContact O-N 3.05Å; A141-I143 VanDerWaalsContact C-N 3.25Å; A141-I143 PolarHBondContact O-N 3.5Å; I143-H145 PolarHBondContact O-CD2 3.09Å
144	V	98.6	Very high	97.7	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117	-179.2	-178.6	0	0	0	0	110.1	V95 V97 A135 R136 A141	V95-V144 HydrophobicContact CB-CG2 4.34Å; V95-V144 CarbonylContact O-C 3.48Å; V95-V144 WeakPolarHBondContact O-CA 3.33Å; V97-V144 HydrophobicContact CG2-CG1 4.04Å; A135-V144 HydrophobicContact CB-CG1 4.07Å; A135-V144 WeakPolarHBondContact O-CG2 3.33Å; R136-V144 HydrophobicContact CG-CG1 4.22Å; A141-V144 PolarHBondContact O-N 3.47Å
145	H	98.6	Very high	97.7	Very high	51 Å²	51	61.1 Å²	61.1	24%	0.236	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.1	-176.3	-56.6	-57.8	0	0	0	110.9	V95 F96 V97 I143 W165	V95-H145 PolarHBondContact O-N 2.93Å; F96-H145 CarbonylContact C-O 3.56Å; F96-H145 WeakPolarHBondContact CA-O 3.46Å; F96-H145 HydrophobicContact CD1-CB 3.55Å; F96-H145 AromaticContact CD1-CD2 3.94Å; F96-H145 HydrophobicContact CE1-CB 3.8Å; F96-H145 AromaticContact CE1-CD2 3.46Å; F96-H145 VanDerWaalsContact CE1-CD2 3.46Å; F96-H145 WeakPolarHBondContact CE1-CD2 3.48Å; F96-H145 AromaticContact CE1-CG 3.86Å; F96-H145 HydrophobicContact CG-CB 4.48Å; F96-H145 AromaticContact CZ-CD2 3.84Å; V97-H145 PolarHBondContact N-O 2.81Å; I143-H145 PolarHBondContact O-CD2 3.09Å; H145-W165 AromaticContact NE2-NE1 3.62Å
146	E	98.5	Very high	97.7	Very high	80 Å²	80	65.2 Å²	65.2	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.8	174.6	-175.4	173.8	-172.1	0	0	110.8	R99 L132 R136	R99-E146 HydrophobicContact CG-CG 3.75Å; R99-E146 WeakPolarHBondContact CG-OE1 3.28Å; R99-E146 IonicContact CZ-OE1 3.57Å; R99-E146 IonicContact NH1-OE1 2.94Å; R99-E146 PolarHBondContact NH1-OE1 2.94Å; L132-E146 HydrophobicContact CD1-CB 4.22Å; L132-E146 HydrophobicContact CD1-CG 4.32Å; L132-E146 VanDerWaalsContact CD2-CD 3.45Å; L132-E146 HydrophobicContact CD2-CG 4.29Å; L132-E146 WeakPolarHBondContact CD2-OE1 3.49Å; L132-E146 WeakPolarHBondContact CD2-OE2 3.27Å; R136-E146 IonicContact NH2-OE2 3.09Å; R136-E146 PolarHBondContact NH2-OE2 3.47Å; R136-E146 VanDerWaalsContact NH2-OE2 3.09Å
147	L	98.8	Very high	97.8	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.5	-178.7	-57.7	-178.1	0	0	0	111.4	F96 V97 L98 R99 N158 I162	F96-L147 HydrophobicContact CB-CD1 4.14Å; F96-L147 HydrophobicContact CD1-CD1 3.69Å; F96-L147 HydrophobicContact CD1-CG 4.24Å; F96-L147 HydrophobicContact CG-CD1 4.26Å; V97-L147 PolarHBondContact O-N 3.01Å; L98-L147 CarbonylContact C-O 3.6Å; L98-L147 WeakPolarHBondContact CA-O 3.34Å; L98-L147 HydrophobicContact CD2-CB 3.88Å; L98-L147 HydrophobicContact CD2-CD1 4.17Å; R99-L147 PolarHBondContact N-O 3.2Å; L147-N158 HydrophobicContact CD1-CB 4.21Å; L147-I162 HydrophobicContact CD1-CD1 4.05Å; L147-I162 HydrophobicContact CD1-CG1 4.16Å
148	I	98.6	Very high	97.8	Very high	79 Å²	79	58.1 Å²	58.1	41%	0.405	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.2	173.5	-55.4	-52.3	0	0	0	109.8	R99 N150 N158	R99-I148 HydrophobicContact CB-CD1 3.82Å; I148-N150 HydrophobicContact CG2-CB 4.5Å; I148-N150 WeakPolarHBondContact CG2-ND2 3.39Å; I148-N158 PolarHBondContact O-ND2 2.97Å
149	N	98.7	Very high	97.9	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.301	C	S	.	.			trans	-136.2	63.6	-177.4	-160.3	45.1	0	0	0	113.9	T17 R99 T100 R108 L155 N158	T17-N149 PolarHBondContact O-ND2 3.23Å; R99-N149 PolarHBondContact O-N 2.68Å; T100-N149 PolarHBondContact OG1-O 3.49Å; R108-N149 PolarHBondContact NH1-O 3.33Å; R108-N149 PolarHBondContact NH2-O 3.36Å; N149-L155 VanDerWaalsContact OD1-CA 3.23Å; N149-L155 WeakPolarHBondContact OD1-CA 3.44Å; N149-L155 PolarHBondContact OD1-N 3.29Å; N149-N158 PolarHBondContact OD1-ND2 2.85Å
150	N	98.5	Very high	98	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.134	32%	0.318	C	S	.	.			trans	-90.2	-37.7	-174.4	-67.5	-25.9	0	0	0	112.9	T100 D101 V104 R108 I148 D154	T100-N150 VanDerWaalsContact CA-OD1 3.28Å; T100-N150 WeakPolarHBondContact CA-OD1 3.16Å; T100-N150 WeakPolarHBondContact CG2-OD1 3.38Å; D101-N150 PolarHBondContact N-OD1 3.16Å; D101-N150 PolarHBondContact OD1-ND2 3.35Å; D101-N150 PolarHBondContact OD2-ND2 3.07Å; D101-N150 VanDerWaalsContact OD2-ND2 3.12Å; V104-N150 WeakPolarHBondContact CG1-O 3.29Å; V104-N150 HydrophobicContact CG2-CB 4.25Å; R108-N150 VanDerWaalsContact NH2-C 3.33Å; R108-N150 PolarHBondContact NH2-O 2.62Å; I148-N150 HydrophobicContact CG2-CB 4.5Å; I148-N150 WeakPolarHBondContact CG2-ND2 3.39Å; N150-D154 WeakPolarHBondContact CB-OD2 3.19Å; N150-D154 PolarHBondContact N-OD2 2.91Å; N150-D154 VanDerWaalsContact N-OD2 3.07Å
151	T	98.1	Very high	98.1	Very high	54 Å²	54	58.9 Å²	58.9	33%	0.331	32%	0.315	S	S	.	.	S	Bend	trans	-121	163.8	-169.9	63.4	0	0	0	0	112.3	E153 D154 L155	T151-E153 WeakPolarHBondContact CB-OE2 3.33Å; T151-E153 PolarHBondContact O-N 2.92Å; T151-D154 PolarHBondContact N-OD2 3.46Å; T151-D154 WeakPolarHBondContact O-CB 3.45Å; T151-D154 PolarHBondContact O-N 2.76Å; T151-D154 PolarHBondContact OG1-N 3.27Å; T151-D154 VanDerWaalsContact OG1-N 3.1Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å; T151-L155 PolarHBondContact O-N 2.93Å
152	P	97.2	Very high	98.3	Very high	98 Å²	98	55.6 Å²	55.6	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-56.9	-32.7	168.9	-25.4	36.2	0	0	0	113.4	L155 E156	P152-L155 WeakPolarHBondContact O-CB 3.36Å; P152-L155 PolarHBondContact O-N 3.48Å; P152-E156 PolarHBondContact O-N 3.06Å; P152-E156 VanDerWaalsContact O-N 3.13Å
153	E	98.4	Very high	98.4	Very high	139 Å²	139	49.8 Å²	49.8	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-66.6	-41.8	175.1	-66.2	72.5	-161.8	0	0	111.4	T151 L155 E156 K157	T151-E153 WeakPolarHBondContact CB-OE2 3.33Å; T151-E153 PolarHBondContact O-N 2.92Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.3Å; E153-E156 PolarHBondContact O-N 3.15Å; E153-K157 VanDerWaalsContact O-CB 3.31Å; E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 2.84Å
154	D	98.7	Very high	98.4	Very high	37 Å²	37	51.9 Å²	51.9	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-41.1	173.1	-61	-43.9	0	0	0	111.1	N150 T151 E156 K157 N158	N150-D154 WeakPolarHBondContact CB-OD2 3.19Å; N150-D154 PolarHBondContact N-OD2 2.91Å; N150-D154 VanDerWaalsContact N-OD2 3.07Å; T151-D154 PolarHBondContact N-OD2 3.46Å; T151-D154 WeakPolarHBondContact O-CB 3.45Å; T151-D154 PolarHBondContact O-N 2.76Å; T151-D154 PolarHBondContact OG1-N 3.27Å; T151-D154 VanDerWaalsContact OG1-N 3.1Å; T151-D154 PolarHBondContact OG1-OD2 3.48Å; D154-E156 PolarHBondContact O-N 3.17Å; D154-K157 PolarHBondContact O-N 3.11Å; D154-N158 VanDerWaalsContact O-CB 3.29Å; D154-N158 WeakPolarHBondContact O-CB 3.42Å; D154-N158 PolarHBondContact O-N 2.91Å; D154-N158 PolarHBondContact O-ND2 3.48Å; D154-N158 VanDerWaalsContact O-ND2 3.08Å
155	L	98.3	Very high	98.4	Very high	46 Å²	46	53.9 Å²	53.9	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-53	178.2	-175.3	79.3	0	0	0	111.2	T21 I22 N149 T151 P152 E153 K157 N158 I159	T21-L155 HydrophobicContact CG2-CD1 4.04Å; T21-L155 HydrophobicContact CG2-CD2 3.95Å; I22-L155 HydrophobicContact CD1-CD1 3.98Å; I22-L155 HydrophobicContact CG1-CD1 3.41Å; I22-L155 VanDerWaalsContact CG1-CD1 3.41Å; I22-L155 HydrophobicContact CG1-CG 4.47Å; N149-L155 VanDerWaalsContact OD1-CA 3.23Å; N149-L155 WeakPolarHBondContact OD1-CA 3.44Å; N149-L155 PolarHBondContact OD1-N 3.29Å; T151-L155 PolarHBondContact O-N 2.93Å; P152-L155 WeakPolarHBondContact O-CB 3.36Å; P152-L155 PolarHBondContact O-N 3.48Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.3Å; L155-K157 PolarHBondContact O-N 2.95Å; L155-N158 PolarHBondContact O-N 3.29Å; L155-I159 HydrophobicContact CG-CD1 3.98Å; L155-I159 WeakPolarHBondContact O-CD1 3.24Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 2.81Å
156	E	98.3	Very high	98.3	Very high	86 Å²	86	52 Å²	52	40%	0.402	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-37.3	-179	-175.8	57.8	-146	0	0	112	R29 P152 E153 D154 S160	R29-E156 IonicContact CZ-OE1 3.72Å; R29-E156 IonicContact CZ-OE2 3.76Å; R29-E156 IonicContact NH1-OE1 3.41Å; R29-E156 PolarHBondContact NH1-OE1 2.8Å; R29-E156 IonicContact NH1-OE2 3.65Å; R29-E156 IonicContact NH2-OE1 2.81Å; R29-E156 PolarHBondContact NH2-OE1 3.25Å; R29-E156 IonicContact NH2-OE2 2.98Å; R29-E156 PolarHBondContact NH2-OE2 3.31Å; P152-E156 PolarHBondContact O-N 3.06Å; P152-E156 VanDerWaalsContact O-N 3.13Å; E153-E156 PolarHBondContact O-N 3.15Å; D154-E156 PolarHBondContact O-N 3.17Å; E156-S160 WeakPolarHBondContact O-CB 3.5Å; E156-S160 PolarHBondContact O-N 3Å; E156-S160 PolarHBondContact O-OG 3.41Å
157	K	98.6	Very high	98.1	Very high	128 Å²	128	54.2 Å²	54.2	56%	0.557	27%	0.272	S	S	*	.	H	α-helix	trans	-61.2	-48.3	173.4	179.4	-170.5	169.9	-166.3	0	111.3	E153 D154 L155 S160 Q161	E153-K157 VanDerWaalsContact O-CB 3.31Å; E153-K157 WeakPolarHBondContact O-CB 3.31Å; E153-K157 PolarHBondContact O-N 2.84Å; D154-K157 PolarHBondContact O-N 3.11Å; L155-K157 PolarHBondContact O-N 2.95Å; K157-S160 PolarHBondContact O-N 2.97Å; K157-Q161 WeakPolarHBondContact O-CB 3.04Å; K157-Q161 PolarHBondContact O-N 3.46Å
158	N	98.8	Very high	97.8	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-43.1	-178.6	-71	-27.5	0	0	0	111.4	I22 L147 I148 N149 D154 L155 S160 Q161 I162	I22-N158 HydrophobicContact CD1-CB 3.81Å; L147-N158 HydrophobicContact CD1-CB 4.21Å; I148-N158 PolarHBondContact O-ND2 2.97Å; N149-N158 PolarHBondContact OD1-ND2 2.85Å; D154-N158 VanDerWaalsContact O-CB 3.29Å; D154-N158 WeakPolarHBondContact O-CB 3.42Å; D154-N158 PolarHBondContact O-N 2.91Å; D154-N158 PolarHBondContact O-ND2 3.48Å; D154-N158 VanDerWaalsContact O-ND2 3.08Å; L155-N158 PolarHBondContact O-N 3.29Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.29Å; N158-Q161 PolarHBondContact O-N 3.1Å; N158-I162 VanDerWaalsContact O-CG1 3.29Å; N158-I162 WeakPolarHBondContact O-CG1 3.3Å; N158-I162 PolarHBondContact O-N 3.24Å
159	I	98.8	Very high	97.5	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-47.9	173.7	-69.1	158.1	0	0	0	110.3	I22 E25 V26 L155 Q161 I162 C163	I22-I159 HydrophobicContact CB-CG1 4.4Å; I22-I159 HydrophobicContact CG1-CG1 4.23Å; I22-I159 HydrophobicContact CG2-CG1 4.08Å; E25-I159 HydrophobicContact CB-CD1 3.9Å; E25-I159 HydrophobicContact CB-CG1 4.33Å; E25-I159 HydrophobicContact CG-CD1 3.75Å; E25-I159 HydrophobicContact CG-CG1 4.39Å; E25-I159 HydrophobicContact CG-CG2 4.05Å; V26-I159 HydrophobicContact CG2-CB 4.48Å; V26-I159 HydrophobicContact CG2-CG1 4.45Å; V26-I159 HydrophobicContact CG2-CG2 4.19Å; L155-I159 HydrophobicContact CG-CD1 3.98Å; L155-I159 WeakPolarHBondContact O-CD1 3.24Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 2.81Å; I159-Q161 PolarHBondContact O-N 3.46Å; I159-I162 PolarHBondContact O-N 2.99Å; I159-C163 WeakPolarHBondContact O-CB 3.47Å; I159-C163 PolarHBondContact O-N 2.94Å; I159-C163 PolarHBondContact O-SG 3.12Å
160	S	98.5	Very high	96.8	Very high	55 Å²	55	60.7 Å²	60.7	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-42	179.3	-62.8	0	0	0	0	112	E156 K157 N158 C163 E164	E156-S160 WeakPolarHBondContact O-CB 3.5Å; E156-S160 PolarHBondContact O-N 3Å; E156-S160 PolarHBondContact O-OG 3.41Å; K157-S160 PolarHBondContact O-N 2.97Å; N158-S160 VanDerWaalsContact C-N 3.32Å; N158-S160 PolarHBondContact O-N 3.29Å; S160-C163 PolarHBondContact O-N 3.37Å; S160-E164 WeakPolarHBondContact O-CB 3.29Å; S160-E164 PolarHBondContact O-N 3.31Å
161	Q	98.6	Very high	96.2	Very high	83 Å²	83	62.4 Å²	62.4	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-45.7	178.1	-178.4	174.1	-23.3	0	0	111.9	K157 N158 I159 E164 W165	K157-Q161 WeakPolarHBondContact O-CB 3.04Å; K157-Q161 PolarHBondContact O-N 3.46Å; N158-Q161 PolarHBondContact O-N 3.1Å; I159-Q161 PolarHBondContact O-N 3.46Å; Q161-E164 PolarHBondContact O-N 3.12Å; Q161-W165 WeakPolarHBondContact O-CB 3.28Å; Q161-W165 PolarHBondContact O-N 3Å
162	I	98.7	Very high	95.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.2	-43.1	177.5	-63.5	165.1	0	0	0	110.4	I9 I11 I22 V26 F96 L147 N158 I159 E164 W165 I166	I9-I162 HydrophobicContact CD1-CG2 3.52Å; I11-I162 HydrophobicContact CD1-CD1 4.1Å; I22-I162 HydrophobicContact CG2-CD1 3.58Å; V26-I162 HydrophobicContact CB-CG2 4.48Å; V26-I162 HydrophobicContact CG1-CG2 3.68Å; V26-I162 HydrophobicContact CG2-CB 4.04Å; V26-I162 HydrophobicContact CG2-CD1 4.31Å; V26-I162 HydrophobicContact CG2-CG2 3.95Å; F96-I162 HydrophobicContact CB-CD1 4.45Å; F96-I162 HydrophobicContact CD1-CD1 4.41Å; F96-I162 HydrophobicContact CD1-CG1 3.88Å; F96-I162 HydrophobicContact CD2-CD1 4.33Å; F96-I162 HydrophobicContact CD2-CG1 4.07Å; F96-I162 HydrophobicContact CD2-CG2 4.33Å; F96-I162 HydrophobicContact CE1-CG1 3.88Å; F96-I162 HydrophobicContact CE2-CB 4.49Å; F96-I162 HydrophobicContact CE2-CG1 4.07Å; F96-I162 HydrophobicContact CE2-CG2 3.92Å; F96-I162 HydrophobicContact CG-CD1 4.13Å; F96-I162 HydrophobicContact CG-CG1 3.97Å; F96-I162 HydrophobicContact CZ-CB 4.45Å; F96-I162 HydrophobicContact CZ-CG1 3.98Å; F96-I162 HydrophobicContact CZ-CG2 4.28Å; L147-I162 HydrophobicContact CD1-CD1 4.05Å; L147-I162 HydrophobicContact CD1-CG1 4.16Å; N158-I162 VanDerWaalsContact O-CG1 3.29Å; N158-I162 WeakPolarHBondContact O-CG1 3.3Å; N158-I162 PolarHBondContact O-N 3.24Å; I159-I162 PolarHBondContact O-N 2.99Å; I162-E164 VanDerWaalsContact C-N 3.3Å; I162-E164 PolarHBondContact O-N 3.12Å; I162-W165 WeakPolarHBondContact O-CB 3.5Å; I162-W165 PolarHBondContact O-N 3.49Å; I162-I166 HydrophobicContact CG2-CD1 4.08Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.3Å; I162-I166 PolarHBondContact O-N 2.95Å
163	C	98.2	Very high	94.4	Very high	13 Å²	13	66.1 Å²	66.1	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-37.6	176.7	-72.4	0	0	0	0	112.4	I159 S160 K167	I159-C163 WeakPolarHBondContact O-CB 3.47Å; I159-C163 PolarHBondContact O-N 2.94Å; I159-C163 PolarHBondContact O-SG 3.12Å; S160-C163 PolarHBondContact O-N 3.37Å; C163-K167 WeakPolarHBondContact O-CG 3.46Å; C163-K167 PolarHBondContact O-N 3.11Å
164	E	97.4	Very high	92.5	Very high	82 Å²	82	65.9 Å²	65.9	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-69.4	-42	175.2	-170.7	56.5	-152	0	0	111.3	S160 Q161 I162 I166 K167 Q168	S160-E164 WeakPolarHBondContact O-CB 3.29Å; S160-E164 PolarHBondContact O-N 3.31Å; Q161-E164 PolarHBondContact O-N 3.12Å; I162-E164 VanDerWaalsContact C-N 3.3Å; I162-E164 PolarHBondContact O-N 3.12Å; E164-I166 VanDerWaalsContact C-N 3.32Å; E164-I166 PolarHBondContact O-N 3.29Å; E164-K167 WeakPolarHBondContact O-CB 3.43Å; E164-K167 PolarHBondContact O-N 3.46Å; E164-K167 VanDerWaalsContact O-N 3.11Å; E164-K167 IonicContact OE2-NZ 3.65Å; E164-Q168 WeakPolarHBondContact O-CG 3.38Å; E164-Q168 PolarHBondContact O-N 3Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å
165	W	97.9	Very high	92.2	Very high	60 Å²	60	67.4 Å²	67.4	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-55.8	-45.8	174.2	-175.8	97.5	0	0	0	111.8	P7 I9 D93 A94 F96 H145 Q161 I162 K167 Q168 W169	P7-W165 HydrophobicContact CB-CH2 4.21Å; P7-W165 HydrophobicContact CB-CZ3 3.93Å; P7-W165 HydrophobicContact CG-CZ3 4.11Å; I9-W165 HydrophobicContact CG2-CE3 4.14Å; I9-W165 HydrophobicContact CG2-CH2 4.17Å; I9-W165 HydrophobicContact CG2-CZ3 3.52Å; D93-W165 HydrophobicContact CB-CH2 3.74Å; D93-W165 WeakPolarHBondContact O-CZ2 3.4Å; A94-W165 HydrophobicContact CB-CD2 4.18Å; A94-W165 HydrophobicContact CB-CE3 4.26Å; A94-W165 HydrophobicContact CB-CH2 3.5Å; A94-W165 HydrophobicContact CB-CZ2 3.35Å; A94-W165 HydrophobicContact CB-CZ3 3.95Å; F96-W165 HydrophobicContact CZ-CB 4.23Å; F96-W165 HydrophobicContact CZ-CD2 4.08Å; F96-W165 HydrophobicContact CZ-CE3 4.41Å; F96-W165 AromaticContact CZ-CG 3.95Å; F96-W165 HydrophobicContact CZ-CG 3.95Å; H145-W165 AromaticContact NE2-NE1 3.62Å; Q161-W165 WeakPolarHBondContact O-CB 3.28Å; Q161-W165 PolarHBondContact O-N 3Å; I162-W165 WeakPolarHBondContact O-CB 3.5Å; I162-W165 PolarHBondContact O-N 3.49Å; W165-K167 VanDerWaalsContact C-N 3.3Å; W165-K167 PolarHBondContact O-N 3.29Å; W165-Q168 PolarHBondContact O-N 3.4Å; W165-W169 HydrophobicContact CE3-CB 4.49Å; W165-W169 HydrophobicContact CH2-CB 4.14Å; W165-W169 AromaticContact CH2-CD1 3.53Å; W165-W169 AromaticContact CH2-CG 4Å; W165-W169 HydrophobicContact CH2-CG 4Å; W165-W169 AromaticContact CZ2-CD1 3.93Å; W165-W169 HydrophobicContact CZ3-CB 4.13Å; W165-W169 HydrophobicContact CZ3-CG 4.3Å; W165-W169 PolarHBondContact O-N 3.07Å
166	I	96.4	Very high	91.9	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-40.9	177.4	-66.6	163.2	0	0	0	111.2	P7 I9 V26 L32 I162 E164 H170	P7-I166 HydrophobicContact CG-CG2 4.21Å; I9-I166 HydrophobicContact CD1-CD1 4.17Å; V26-I166 HydrophobicContact CG1-CD1 3.6Å; L32-I166 HydrophobicContact CD1-CD1 3.57Å; L32-I166 HydrophobicContact CD1-CG1 3.97Å; L32-I166 HydrophobicContact CD1-CG2 4.4Å; L32-I166 HydrophobicContact CG-CD1 4.24Å; L32-I166 HydrophobicContact CG-CG2 4.48Å; I162-I166 HydrophobicContact CG2-CD1 4.08Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.3Å; I162-I166 PolarHBondContact O-N 2.95Å; E164-I166 VanDerWaalsContact C-N 3.32Å; E164-I166 PolarHBondContact O-N 3.29Å; I166-H170 PolarHBondContact O-N 3.08Å; I166-H170 VanDerWaalsContact O-N 3.16Å
167	K	93.8	Very high	91.5	Very high	126 Å²	126	67.5 Å²	67.5	55%	0.548	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-41	177.8	-68.8	171.9	-167	165.8	0	112.2	C163 E164 W165 H170 A171	C163-K167 WeakPolarHBondContact O-CG 3.46Å; C163-K167 PolarHBondContact O-N 3.11Å; E164-K167 WeakPolarHBondContact O-CB 3.43Å; E164-K167 PolarHBondContact O-N 3.46Å; E164-K167 VanDerWaalsContact O-N 3.11Å; E164-K167 IonicContact OE2-NZ 3.65Å; W165-K167 VanDerWaalsContact C-N 3.3Å; W165-K167 PolarHBondContact O-N 3.29Å; K167-H170 PolarHBondContact O-N 2.85Å; K167-A171 PolarHBondContact O-N 2.78Å
168	Q	93.2	Very high	91.1	Very high	90 Å²	90	63.9 Å²	63.9	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-43.9	178.3	-65.4	-57.8	-28.3	0	0	111	E164 W165 H170 A171 E172	E164-Q168 WeakPolarHBondContact O-CG 3.38Å; E164-Q168 PolarHBondContact O-N 3Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å; W165-Q168 PolarHBondContact O-N 3.4Å; Q168-H170 VanDerWaalsContact C-N 3.25Å; Q168-H170 PolarHBondContact O-N 3.37Å; Q168-A171 PolarHBondContact O-N 3.35Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.92Å
169	W	93.2	Very high	90.6	Very high	40 Å²	40	67.7 Å²	67.7	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-55.5	-42.3	174.3	-174.4	100.1	0	0	0	111.7	P7 D93 W165 E172 S173	P7-W169 HydrophobicContact CB-CD2 3.65Å; P7-W169 HydrophobicContact CB-CE3 3.92Å; P7-W169 HydrophobicContact CB-CG 4.03Å; P7-W169 HydrophobicContact CB-CH2 4.34Å; P7-W169 HydrophobicContact CB-CZ2 4.08Å; P7-W169 HydrophobicContact CB-CZ3 4.28Å; P7-W169 VanDerWaalsContact CD-CE3 3.43Å; P7-W169 HydrophobicContact CG-CD2 3.96Å; P7-W169 HydrophobicContact CG-CE3 3.85Å; P7-W169 HydrophobicContact CG-CG 4.29Å; P7-W169 HydrophobicContact CG-CZ3 4.34Å; D93-W169 PolarHBondContact OD1-NE1 2.86Å; W165-W169 HydrophobicContact CE3-CB 4.49Å; W165-W169 HydrophobicContact CH2-CB 4.14Å; W165-W169 AromaticContact CH2-CD1 3.53Å; W165-W169 AromaticContact CH2-CG 4Å; W165-W169 HydrophobicContact CH2-CG 4Å; W165-W169 AromaticContact CZ2-CD1 3.93Å; W165-W169 HydrophobicContact CZ3-CB 4.13Å; W165-W169 HydrophobicContact CZ3-CG 4.3Å; W165-W169 PolarHBondContact O-N 3.07Å; W169-E172 PolarHBondContact O-N 3.33Å; W169-S173 VanDerWaalsContact O-CB 3.24Å; W169-S173 WeakPolarHBondContact O-CB 3.35Å; W169-S173 PolarHBondContact O-N 2.87Å; W169-S173 PolarHBondContact O-OG 2.73Å
170	H	83.9	Confident	90.1	Very high	94 Å²	94	72 Å²	72	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-40.1	175.8	-175.3	-66	0	0	0	112.2	I166 K167 Q168 E172 S173 S174	I166-H170 PolarHBondContact O-N 3.08Å; I166-H170 VanDerWaalsContact O-N 3.16Å; K167-H170 PolarHBondContact O-N 2.85Å; Q168-H170 VanDerWaalsContact C-N 3.25Å; Q168-H170 PolarHBondContact O-N 3.37Å; H170-E172 VanDerWaalsContact C-N 3.33Å; H170-S173 PolarHBondContact O-N 3.3Å; H170-S174 PolarHBondContact CE1-OG 3.12Å; H170-S174 VanDerWaalsContact CE1-OG 3.3Å; H170-S174 PolarHBondContact ND1-OG 2.88Å; H170-S174 WeakPolarHBondContact O-CB 3.43Å; H170-S174 PolarHBondContact O-N 2.99Å; H170-S174 PolarHBondContact O-OG 3.17Å
171	A	85.1	Confident	89.5	Confident	61 Å²	61	73.2 Å²	73.2	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-32	179.3	0	0	0	0	0	112.8	K167 Q168	K167-A171 PolarHBondContact O-N 2.78Å; Q168-A171 PolarHBondContact O-N 3.35Å
172	E	82.1	Confident	88.8	Confident	158 Å²	158	72.5 Å²	72.5	74%	0.738	38%	0.384	S	S	*	.	H	α-helix	trans	-82.7	-24.8	178	-68.1	175.7	179.2	0	0	112.7	Q168 W169 H170	Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.92Å; W169-E172 PolarHBondContact O-N 3.33Å; H170-E172 VanDerWaalsContact C-N 3.33Å
173	S	76.6	Confident	88	Confident	72 Å²	72	78.5 Å²	78.5	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-90	-8.7	178.3	-58	0	0	0	0	114	W169 H170	W169-S173 VanDerWaalsContact O-CB 3.24Å; W169-S173 WeakPolarHBondContact O-CB 3.35Å; W169-S173 PolarHBondContact O-N 2.87Å; W169-S173 PolarHBondContact O-OG 2.73Å; H170-S173 PolarHBondContact O-N 3.3Å
174	S	57.7	Low	87	Confident	134 Å²	134	84.5 Å²	84.5	94%	0.937	45%	0.446	S	S	*	.			trans	-96.3	0	178.6	-62	0	0	0	0	112.7	H170	H170-S174 PolarHBondContact CE1-OG 3.12Å; H170-S174 VanDerWaalsContact CE1-OG 3.3Å; H170-S174 PolarHBondContact ND1-OG 2.88Å; H170-S174 WeakPolarHBondContact O-CB 3.43Å; H170-S174 PolarHBondContact O-N 2.99Å; H170-S174 PolarHBondContact O-OG 3.17Å

Retrieved 174 of 174 residues in 41.3 ms (Link to these results)

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