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Adenosylhomocysteinase

Catalyzes the hydrolysis of S-adenosyl-L-homocysteine to form adenosine and homocysteine. Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore this protein may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine. Acts as a redox sensor required for rapid regulation of transcription in response to light-induced oxidative stress in photoreceptors; independent of H3K4me3 or H3K27me3 histone methylation.

AlphaFold DB (Q27580), UniProt , Accession X2JF40, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ahcy, Length 432 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	54.2	Low	91.7	Very high	247 Å²	247	86.7 Å²	86.7	100%	1.217	48%	0.479	S	S	*	.				0	147.6	0	-65.8	-178.9	-154.4	0	0	108
2	S	81.8	Confident	92.3	Very high	113 Å²	113	86.7 Å²	86.7	79%	0.79	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-62.5	137.7	173.9	51.1	0	0	0	0	110.3
3	K	90.6	Very high	92.8	Very high	81 Å²	81	83.5 Å²	83.5	35%	0.352	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-52.1	125.5	175.9	172.9	178.3	162.7	179.6	0	110.1	Y99 Q115 V118	K3-Y99 WeakPolarHBondContact CE-OH 3.39Å; K3-Q115 WeakPolarHBondContact CE-O 3.47Å; K3-Q115 PolarHBondContact NZ-O 3.41Å; K3-V118 PolarHBondContact NZ-O 2.92Å
4	P	95.4	Very high	93.2	Very high	49 Å²	49	78.8 Å²	78.8	32%	0.318	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-67.9	149.6	176.9	25.1	-28.6	0	0	0	110.6	Y6 Y99 W111	P4-Y6 VanDerWaalsContact C-N 3.26Å; P4-Y6 PolarHBondContact O-N 3.32Å; P4-Y99 HydrophobicContact CG-CE1 4.08Å; P4-Y99 WeakPolarHBondContact O-CE1 3.15Å; P4-Y99 PolarHBondContact O-OH 2.88Å; P4-W111 HydrophobicContact CG-CH2 3.94Å; P4-W111 HydrophobicContact CG-CZ2 4.08Å
5	S	96.2	Very high	93.6	Very high	85 Å²	85	82.3 Å²	82.3	59%	0.594	46%	0.458	S	S	*	.	S	Bend	trans	-63.9	-31.7	178.6	51.2	0	0	0	0	113.1	P97	S5-P97 VanDerWaalsContact O-CA 3.29Å; S5-P97 WeakPolarHBondContact O-CA 3.32Å; S5-P97 VanDerWaalsContact O-CB 3.24Å; S5-P97 WeakPolarHBondContact O-CB 3.47Å
6	Y	98.3	Very high	93.9	Very high	84 Å²	84	86.9 Å²	86.9	33%	0.329	47%	0.467	S	S	.	.			trans	-161.8	166.7	174.6	58.7	-99.4	0	0	0	108.5	P4 V8 I11 A92 V98	P4-Y6 VanDerWaalsContact C-N 3.26Å; P4-Y6 PolarHBondContact O-N 3.32Å; Y6-V8 HydrophobicContact CD2-CG2 4.12Å; Y6-V8 HydrophobicContact CE2-CG2 4.24Å; Y6-I11 HydrophobicContact CE2-CD1 4.01Å; Y6-I11 HydrophobicContact CE2-CG1 4.35Å; Y6-A92 HydrophobicContact CD1-CB 4.11Å; Y6-A92 HydrophobicContact CD2-CB 3.97Å; Y6-A92 HydrophobicContact CE2-CB 4.48Å; Y6-A92 HydrophobicContact CG-CB 3.78Å; Y6-V98 CarbonylContact C-O 3.56Å; Y6-V98 VanDerWaalsContact CA-O 3.28Å; Y6-V98 WeakPolarHBondContact CA-O 3.31Å; Y6-V98 VanDerWaalsContact CB-O 3.29Å; Y6-V98 WeakPolarHBondContact CB-O 3.11Å
7	K	98.6	Very high	94.2	Very high	79 Å²	79	81.8 Å²	81.8	34%	0.343	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-144.3	113.5	165.4	-169.7	-179.7	173.3	-160.9	0	108.5	V98 Y99 A100 W101 E108 W111	K7-V98 PolarHBondContact N-O 3.23Å; K7-Y99 HydrophobicContact CB-CD1 4.05Å; K7-Y99 WeakPolarHBondContact O-CA 3.33Å; K7-A100 PolarHBondContact O-N 3.34Å; K7-W101 HydrophobicContact CB-CZ3 4.03Å; K7-W101 HydrophobicContact CD-CE3 4.47Å; K7-W101 HydrophobicContact CD-CH2 3.61Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 HydrophobicContact CG-CE3 4.17Å; K7-W101 HydrophobicContact CG-CH2 4.2Å; K7-W101 HydrophobicContact CG-CZ3 3.6Å; K7-W101 VanDerWaalsContact NZ-CH2 3.31Å; K7-E108 IonicContact NZ-OE1 3.26Å; K7-W111 HydrophobicContact CB-CH2 4.09Å; K7-W111 HydrophobicContact CB-CZ3 4.08Å; K7-W111 HydrophobicContact CD-CH2 3.66Å; K7-W111 HydrophobicContact CD-CZ3 3.55Å; K7-W111 HydrophobicContact CG-CZ3 4.43Å
8	V	98.7	Very high	94.4	Very high	19 Å²	19	81.2 Å²	81.2	12%	0.115	43%	0.43	C	S	.	.			trans	-133.9	162.4	-179.5	-59.3	0	0	0	0	108.9	Y6 I11 A88 A92 V98	Y6-V8 HydrophobicContact CD2-CG2 4.12Å; Y6-V8 HydrophobicContact CE2-CG2 4.24Å; V8-I11 HydrophobicContact CG2-CB 4.48Å; V8-I11 HydrophobicContact CG2-CD1 4.27Å; V8-A88 HydrophobicContact CB-CB 4.34Å; V8-A88 HydrophobicContact CG1-CB 3.86Å; V8-A92 HydrophobicContact CG1-CB 4.09Å; V8-V98 HydrophobicContact CG1-CB 4.44Å; V8-V98 HydrophobicContact CG1-CG1 4.22Å
9	A	98.4	Very high	94.7	Very high	60 Å²	60	82.9 Å²	82.9	50%	0.496	43%	0.433	S	S	.	.	S	Bend	trans	-59.5	-52	-177.3	0	0	0	0	0	113	D85 W101	A9-D85 HydrophobicContact CB-CB 3.97Å; A9-W101 HydrophobicContact CB-CB 3.85Å
10	D	98.5	Very high	94.9	Very high	71 Å²	71	80 Å²	80	38%	0.38	42%	0.421	S	S	.	.			trans	-151.9	112.6	-179.5	-179.9	6.5	0	0	0	110.9	S12 L13 A89	D10-S12 PolarHBondContact O-N 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.38Å; D10-S12 PolarHBondContact OD1-N 2.98Å; D10-S12 PolarHBondContact OD1-OG 3.1Å; D10-S12 PolarHBondContact OD2-OG 3.48Å; D10-L13 HydrophobicContact CB-CD1 4.11Å; D10-L13 HydrophobicContact CB-CG 4.06Å; D10-L13 WeakPolarHBondContact O-CG 3.41Å; D10-L13 PolarHBondContact O-N 3.44Å; D10-A89 VanDerWaalsContact O-CB 3.32Å; D10-A89 WeakPolarHBondContact O-CB 3.25Å
11	I	98.5	Very high	95	Very high	66 Å²	66	76.1 Å²	76.1	34%	0.338	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.5	-19.5	179.4	-163.6	61.6	0	0	0	112.8	Y6 V8 L13 A14 A89 A92	Y6-I11 HydrophobicContact CE2-CD1 4.01Å; Y6-I11 HydrophobicContact CE2-CG1 4.35Å; V8-I11 HydrophobicContact CG2-CB 4.48Å; V8-I11 HydrophobicContact CG2-CD1 4.27Å; I11-L13 PolarHBondContact O-N 3.28Å; I11-A14 WeakPolarHBondContact O-CB 3.29Å; I11-A14 PolarHBondContact O-N 3.29Å; I11-A89 HydrophobicContact CD1-CB 4.45Å; I11-A92 HydrophobicContact CD1-CB 3.8Å
12	S	98.6	Very high	97.2	Very high	86 Å²	86	68.9 Å²	68.9	60%	0.601	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.2	178.6	88.2	0	0	0	0	112.8	D10 A14	D10-S12 PolarHBondContact O-N 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.38Å; D10-S12 PolarHBondContact OD1-N 2.98Å; D10-S12 PolarHBondContact OD1-OG 3.1Å; D10-S12 PolarHBondContact OD2-OG 3.48Å; S12-A14 PolarHBondContact O-N 2.93Å
13	L	98.7	Very high	98	Very high	45 Å²	45	69.3 Å²	69.3	24%	0.236	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-75.5	-4.2	178.7	-55.3	178	0	0	0	113.9	D10 I11 E15 W16 G17 D85 N86 A89	D10-L13 HydrophobicContact CB-CD1 4.11Å; D10-L13 HydrophobicContact CB-CG 4.06Å; D10-L13 WeakPolarHBondContact O-CG 3.41Å; D10-L13 PolarHBondContact O-N 3.44Å; I11-L13 PolarHBondContact O-N 3.28Å; L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.13Å; L13-W16 HydrophobicContact CD2-CE3 4.21Å; L13-W16 PolarHBondContact O-N 3.15Å; L13-W16 VanDerWaalsContact O-N 3.16Å; L13-G17 PolarHBondContact O-N 3.17Å; L13-D85 HydrophobicContact CD1-CB 3.9Å; L13-N86 HydrophobicContact CB-CB 4.02Å; L13-A89 HydrophobicContact CB-CB 4Å
14	A	98.8	Very high	98.3	Very high	18 Å²	18	65.6 Å²	65.6	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-58.2	-37.9	-174	0	0	0	0	0	113.9	I11 S12 G17 R18 A89 A93	I11-A14 WeakPolarHBondContact O-CB 3.29Å; I11-A14 PolarHBondContact O-N 3.29Å; S12-A14 PolarHBondContact O-N 2.93Å; A14-G17 PolarHBondContact O-N 3.03Å; A14-R18 WeakPolarHBondContact O-CB 3.34Å; A14-R18 PolarHBondContact O-N 3.37Å; A14-A89 HydrophobicContact CB-CB 4.28Å; A14-A93 HydrophobicContact CB-CB 3.75Å
15	E	98.6	Very high	98.5	Very high	131 Å²	131	65.2 Å²	65.2	61%	0.612	34%	0.337	S	S	*	.	H	α-helix	trans	-66.9	-40.8	179	-166.8	-166.9	147.2	0	0	111.6	L13 R18 K19	L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.13Å; E15-R18 PolarHBondContact O-N 2.94Å; E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 2.8Å; E15-K19 VanDerWaalsContact O-N 3.14Å; E15-K19 VanDerWaalsContact OE1-CE 3.26Å; E15-K19 WeakPolarHBondContact OE1-CE 3.22Å; E15-K19 IonicContact OE1-NZ 3.93Å; E15-K19 PolarHBondContact OE1-NZ 3.25Å
16	W	98.6	Very high	98.6	Very high	157 Å²	157	66.4 Å²	66.4	60%	0.595	34%	0.337	S	S	*	.	H	α-helix	trans	-64.9	-47.6	174.8	170.8	27.7	0	0	0	110.9	L13 R18 K19 A20 N86	L13-W16 HydrophobicContact CD2-CE3 4.21Å; L13-W16 PolarHBondContact O-N 3.15Å; L13-W16 VanDerWaalsContact O-N 3.16Å; W16-R18 VanDerWaalsContact C-N 3.29Å; W16-R18 PolarHBondContact O-N 3.47Å; W16-K19 WeakPolarHBondContact O-CB 3.35Å; W16-K19 PolarHBondContact O-N 2.96Å; W16-K19 VanDerWaalsContact O-N 3.13Å; W16-A20 PolarHBondContact O-N 3.18Å; W16-N86 HydrophobicContact CD2-CB 3.77Å; W16-N86 HydrophobicContact CE3-CB 3.5Å; W16-N86 VanDerWaalsContact CE3-CB 3.5Å; W16-N86 HydrophobicContact CG-CB 4.3Å; W16-N86 HydrophobicContact CH2-CB 4.42Å; W16-N86 HydrophobicContact CZ3-CB 3.86Å
17	G	98.7	Very high	98.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57	-42.2	176.1	0	0	0	0	0	112.4	L13 A14 K19 A20 I21 N86	L13-G17 PolarHBondContact O-N 3.17Å; A14-G17 PolarHBondContact O-N 3.03Å; G17-K19 VanDerWaalsContact C-N 3.34Å; G17-K19 PolarHBondContact O-N 3.28Å; G17-A20 PolarHBondContact O-N 3.09Å; G17-A20 VanDerWaalsContact O-N 3.15Å; G17-I21 VanDerWaalsContact O-CG1 3.27Å; G17-I21 WeakPolarHBondContact O-CG1 3.28Å; G17-I21 PolarHBondContact O-N 3.16Å; G17-N86 VanDerWaalsContact CA-O 3.31Å; G17-N86 WeakPolarHBondContact CA-O 3.28Å
18	R	98.8	Very high	98.6	Very high	71 Å²	71	62.1 Å²	62.1	27%	0.268	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-43.7	175.5	-179.2	53	55.1	-171.8	-1.5	112.3	A14 E15 W16 A20 I21 I22 E64	A14-R18 WeakPolarHBondContact O-CB 3.34Å; A14-R18 PolarHBondContact O-N 3.37Å; E15-R18 PolarHBondContact O-N 2.94Å; W16-R18 VanDerWaalsContact C-N 3.29Å; W16-R18 PolarHBondContact O-N 3.47Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.19Å; R18-I21 PolarHBondContact O-N 3.46Å; R18-I22 HydrophobicContact CG-CD1 4.09Å; R18-I22 WeakPolarHBondContact O-CG1 3.19Å; R18-I22 PolarHBondContact O-N 2.77Å; R18-E64 IonicContact CZ-OE1 2.77Å; R18-E64 VanDerWaalsContact NH1-CD 3.3Å; R18-E64 IonicContact NH1-OE1 3.62Å; R18-E64 PolarHBondContact NH1-OE1 2.89Å; R18-E64 IonicContact NH1-OE2 2.75Å; R18-E64 PolarHBondContact NH1-OE2 3.43Å; R18-E64 IonicContact NH2-OE1 3.74Å; R18-E64 PolarHBondContact NH2-OE1 3.39Å
19	K	98.8	Very high	98.6	Very high	114 Å²	114	62.2 Å²	62.2	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-41.3	176	-69.9	171	-173.8	166.2	0	111.6	E15 W16 G17 I22 I23	E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 2.8Å; E15-K19 VanDerWaalsContact O-N 3.14Å; E15-K19 VanDerWaalsContact OE1-CE 3.26Å; E15-K19 WeakPolarHBondContact OE1-CE 3.22Å; E15-K19 IonicContact OE1-NZ 3.93Å; E15-K19 PolarHBondContact OE1-NZ 3.25Å; W16-K19 WeakPolarHBondContact O-CB 3.35Å; W16-K19 PolarHBondContact O-N 2.96Å; W16-K19 VanDerWaalsContact O-N 3.13Å; G17-K19 VanDerWaalsContact C-N 3.34Å; G17-K19 PolarHBondContact O-N 3.28Å; K19-I22 PolarHBondContact O-N 2.69Å; K19-I23 WeakPolarHBondContact O-CG1 2.85Å; K19-I23 PolarHBondContact O-N 3.32Å
20	A	98.5	Very high	98.7	Very high	23 Å²	23	59.4 Å²	59.4	19%	0.19	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-41	176.7	0	0	0	0	0	112.3	W16 G17 R18 I23 A24 V57	W16-A20 PolarHBondContact O-N 3.18Å; G17-A20 PolarHBondContact O-N 3.09Å; G17-A20 VanDerWaalsContact O-N 3.15Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.19Å; A20-I23 PolarHBondContact O-N 3.34Å; A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.8Å; A20-V57 HydrophobicContact CB-CG1 4.14Å; A20-V57 HydrophobicContact CB-CG2 3.72Å
21	I	98.8	Very high	98.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-47.2	175.4	-70.1	164.2	0	0	0	110.7	G17 R18 I23 A24 E25 V57 A60 V61 A90 I91	G17-I21 VanDerWaalsContact O-CG1 3.27Å; G17-I21 WeakPolarHBondContact O-CG1 3.28Å; G17-I21 PolarHBondContact O-N 3.16Å; R18-I21 PolarHBondContact O-N 3.46Å; I21-I23 VanDerWaalsContact C-N 3.26Å; I21-I23 PolarHBondContact O-N 3.15Å; I21-A24 CarbonylContact O-C 3.56Å; I21-A24 WeakPolarHBondContact O-CA 2.94Å; I21-A24 PolarHBondContact O-N 3.35Å; I21-E25 HydrophobicContact CG2-CG 4.3Å; I21-E25 WeakPolarHBondContact O-CG 3.39Å; I21-E25 PolarHBondContact O-N 3.3Å; I21-V57 HydrophobicContact CG1-CG1 4.28Å; I21-A60 HydrophobicContact CD1-CB 3.61Å; I21-A60 HydrophobicContact CG1-CB 3.81Å; I21-V61 HydrophobicContact CG2-CG2 4.11Å; I21-A90 HydrophobicContact CD1-CB 3.69Å; I21-I91 HydrophobicContact CD1-CD1 4.39Å
22	I	98.7	Very high	98.7	Very high	95 Å²	95	55.2 Å²	55.2	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-58.8	-38.9	178.9	-69.5	163.8	0	0	0	111.6	R18 K19	R18-I22 HydrophobicContact CG-CD1 4.09Å; R18-I22 WeakPolarHBondContact O-CG1 3.19Å; R18-I22 PolarHBondContact O-N 2.77Å; K19-I22 PolarHBondContact O-N 2.69Å
23	I	98.6	Very high	98.7	Very high	121 Å²	121	52.3 Å²	52.3	62%	0.621	26%	0.257	S	S	*	.	H	α-helix	trans	-67.5	-44.5	175	-65.7	167.4	0	0	0	110.3	K19 A20 I21 E25 N26	K19-I23 WeakPolarHBondContact O-CG1 2.85Å; K19-I23 PolarHBondContact O-N 3.32Å; A20-I23 PolarHBondContact O-N 3.34Å; I21-I23 VanDerWaalsContact C-N 3.26Å; I21-I23 PolarHBondContact O-N 3.15Å; I23-E25 PolarHBondContact O-N 3.43Å; I23-N26 WeakPolarHBondContact O-CB 3.43Å; I23-N26 PolarHBondContact O-N 2.66Å
24	A	98.6	Very high	98.7	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-37.8	179.7	0	0	0	0	0	112.6	A20 I21 N26 E27 M28 V57 V61	A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.8Å; I21-A24 CarbonylContact O-C 3.56Å; I21-A24 WeakPolarHBondContact O-CA 2.94Å; I21-A24 PolarHBondContact O-N 3.35Å; A24-N26 PolarHBondContact O-N 2.9Å; A24-E27 CarbonylContact O-C 2.93Å; A24-E27 WeakPolarHBondContact O-CA 3.13Å; A24-E27 PolarHBondContact O-N 2.9Å; A24-M28 HydrophobicContact CB-SD 4.41Å; A24-M28 VanDerWaalsContact O-CG 3.22Å; A24-M28 WeakPolarHBondContact O-CG 3.41Å; A24-M28 PolarHBondContact O-N 3.3Å; A24-V57 HydrophobicContact CB-CG1 3.53Å; A24-V61 HydrophobicContact CB-CG2 4.05Å
25	E	98.7	Very high	98.7	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.192	25%	0.246	C	C	.	.	H	α-helix	trans	-54.2	-39.5	175.1	-75.8	-178.1	154.3	0	0	111.9	I21 I23 E27 M28 M32 R35 V61	I21-E25 HydrophobicContact CG2-CG 4.3Å; I21-E25 WeakPolarHBondContact O-CG 3.39Å; I21-E25 PolarHBondContact O-N 3.3Å; I23-E25 PolarHBondContact O-N 3.43Å; E25-E27 VanDerWaalsContact C-N 3.25Å; E25-E27 PolarHBondContact O-N 2.83Å; E25-M28 PolarHBondContact O-N 3.03Å; E25-M28 VanDerWaalsContact O-N 3.15Å; E25-M32 HydrophobicContact CB-CE 4.22Å; E25-M32 HydrophobicContact CB-CG 4.48Å; E25-M32 HydrophobicContact CB-SD 3.83Å; E25-M32 HydrophobicContact CG-CE 3.88Å; E25-M32 HydrophobicContact CG-SD 3.93Å; E25-M32 VanDerWaalsContact O-CG 3.25Å; E25-M32 WeakPolarHBondContact O-CG 3.04Å; E25-R35 IonicContact OE1-CZ 2.73Å; E25-R35 IonicContact OE1-NH1 3.54Å; E25-R35 PolarHBondContact OE1-NH1 3.39Å; E25-R35 IonicContact OE1-NH2 2.78Å; E25-V61 HydrophobicContact CG-CG1 4.02Å; E25-V61 HydrophobicContact CG-CG2 4.05Å
26	N	98.3	Very high	98.7	Very high	110 Å²	110	53.8 Å²	53.8	59%	0.588	26%	0.255	S	S	*	.	H	α-helix	trans	-66.7	-27.9	176.7	-171.5	51	0	0	0	112.7	I23 A24 K401	I23-N26 WeakPolarHBondContact O-CB 3.43Å; I23-N26 PolarHBondContact O-N 2.66Å; A24-N26 PolarHBondContact O-N 2.9Å; N26-K401 PolarHBondContact ND2-NZ 3.31Å; N26-K401 VanDerWaalsContact O-CE 3.3Å; N26-K401 WeakPolarHBondContact O-CE 3.4Å; N26-K401 PolarHBondContact O-NZ 3.49Å
27	E	98.6	Very high	98.6	Very high	73 Å²	73	51.5 Å²	51.5	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-93.5	2.2	175.5	-71.5	-56.9	112.1	0	0	113.3	A24 E25 P29 F356 K401	A24-E27 CarbonylContact O-C 2.93Å; A24-E27 WeakPolarHBondContact O-CA 3.13Å; A24-E27 PolarHBondContact O-N 2.9Å; E25-E27 VanDerWaalsContact C-N 3.25Å; E25-E27 PolarHBondContact O-N 2.83Å; E27-P29 WeakPolarHBondContact O-CD 3.5Å; E27-F356 WeakPolarHBondContact O-CA 3.47Å; E27-F356 PolarHBondContact O-N 3.43Å; E27-K401 WeakPolarHBondContact OE1-CE 3.26Å; E27-K401 IonicContact OE1-NZ 3.02Å; E27-K401 PolarHBondContact OE1-NZ 3.43Å
28	M	98.8	Very high	98.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.			trans	-117.6	61.4	-179.6	-63.8	-178.8	90	0	0	112.4	A24 E25 G30 L31 M32 Q58 V61 S355 M358 S359 F362	A24-M28 HydrophobicContact CB-SD 4.41Å; A24-M28 VanDerWaalsContact O-CG 3.22Å; A24-M28 WeakPolarHBondContact O-CG 3.41Å; A24-M28 PolarHBondContact O-N 3.3Å; E25-M28 PolarHBondContact O-N 3.03Å; E25-M28 VanDerWaalsContact O-N 3.15Å; M28-G30 VanDerWaalsContact C-N 3.27Å; M28-G30 PolarHBondContact O-N 3.26Å; M28-L31 HydrophobicContact CB-CB 4.44Å; M28-L31 HydrophobicContact CB-CD1 4.49Å; M28-L31 HydrophobicContact CE-CD1 3.45Å; M28-L31 VanDerWaalsContact CE-CD1 3.45Å; M28-L31 HydrophobicContact CE-CG 4.39Å; M28-L31 PolarHBondContact O-N 3.48Å; M28-L31 HydrophobicContact SD-CD1 4.24Å; M28-M32 WeakPolarHBondContact O-CG 3.4Å; M28-M32 PolarHBondContact O-N 2.97Å; M28-M32 VanDerWaalsContact O-N 3.11Å; M28-Q58 HydrophobicContact CE-CB 3.95Å; M28-Q58 HydrophobicContact CE-CG 4.43Å; M28-Q58 HydrophobicContact SD-CB 4.27Å; M28-Q58 HydrophobicContact SD-CG 4.42Å; M28-V61 HydrophobicContact CB-CG1 4.35Å; M28-V61 HydrophobicContact CE-CB 4.36Å; M28-V61 HydrophobicContact SD-CB 3.6Å; M28-V61 HydrophobicContact SD-CG1 3.86Å; M28-V61 HydrophobicContact SD-CG2 3.67Å; M28-S355 WeakPolarHBondContact CG-O 3.29Å; M28-M358 HydrophobicContact CE-CB 4.21Å; M28-S359 VanDerWaalsContact CA-OG 3.28Å; M28-S359 WeakPolarHBondContact CA-OG 3.26Å; M28-F362 HydrophobicContact CE-CD2 3.82Å; M28-F362 HydrophobicContact CE-CE2 4.48Å
29	P	98.8	Very high	98.6	Very high	21 Å²	21	50.1 Å²	50.1	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-31.6	-171.1	28.4	-37.5	0	0	0	113	E27 M32 A33 F356 H398 K401	E27-P29 WeakPolarHBondContact O-CD 3.5Å; P29-M32 PolarHBondContact O-N 3.4Å; P29-A33 VanDerWaalsContact O-CB 3.22Å; P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 2.66Å; P29-F356 HydrophobicContact CG-CD2 4.34Å; P29-F356 HydrophobicContact CG-CE2 3.88Å; P29-H398 HydrophobicContact CG-CB 4.41Å; P29-K401 HydrophobicContact CB-CB 3.9Å; P29-K401 HydrophobicContact CB-CG 4.37Å; P29-K401 HydrophobicContact CG-CB 3.77Å; P29-K401 HydrophobicContact CG-CG 4.03Å
30	G	98.8	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-49.1	177	0	0	0	0	0	112.7	M28 M32 A33 C34 S359 T363	M28-G30 VanDerWaalsContact C-N 3.27Å; M28-G30 PolarHBondContact O-N 3.26Å; G30-M32 PolarHBondContact O-N 2.94Å; G30-A33 PolarHBondContact O-N 3.09Å; G30-C34 PolarHBondContact O-N 2.96Å; G30-S359 PolarHBondContact N-OG 2.91Å; G30-T363 VanDerWaalsContact CA-OG1 3.29Å; G30-T363 WeakPolarHBondContact CA-OG1 3.5Å
31	L	98.9	Very high	98.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-42.7	176.4	-67.2	-174.2	0	0	0	111.7	M28 A33 C34 R35 V61 L62 T65 F362 T363 V366	M28-L31 HydrophobicContact CB-CB 4.44Å; M28-L31 HydrophobicContact CB-CD1 4.49Å; M28-L31 HydrophobicContact CE-CD1 3.45Å; M28-L31 VanDerWaalsContact CE-CD1 3.45Å; M28-L31 HydrophobicContact CE-CG 4.39Å; M28-L31 PolarHBondContact O-N 3.48Å; M28-L31 HydrophobicContact SD-CD1 4.24Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.26Å; L31-C34 WeakPolarHBondContact O-CB 3.38Å; L31-C34 PolarHBondContact O-N 3.22Å; L31-R35 WeakPolarHBondContact O-CG 3.34Å; L31-R35 PolarHBondContact O-N 3.22Å; L31-V61 HydrophobicContact CB-CG1 4.24Å; L31-V61 HydrophobicContact CD1-CB 4.07Å; L31-V61 HydrophobicContact CD1-CG1 3.67Å; L31-L62 HydrophobicContact CD1-CB 4.3Å; L31-T65 HydrophobicContact CD2-CG2 4.31Å; L31-F362 HydrophobicContact CD1-CB 4Å; L31-F362 HydrophobicContact CD1-CD2 4.48Å; L31-F362 HydrophobicContact CD2-CB 3.94Å; L31-F362 HydrophobicContact CG-CB 4.3Å; L31-T363 PolarHBondContact N-OG1 3.46Å; L31-V366 HydrophobicContact CD2-CG2 3.82Å
32	M	98.8	Very high	98.6	Very high	49 Å²	49	56.5 Å²	56.5	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-38.8	177.7	-64.7	-51.7	99.3	0	0	111.9	E25 M28 P29 G30 R35 K36 V61	E25-M32 HydrophobicContact CB-CE 4.22Å; E25-M32 HydrophobicContact CB-CG 4.48Å; E25-M32 HydrophobicContact CB-SD 3.83Å; E25-M32 HydrophobicContact CG-CE 3.88Å; E25-M32 HydrophobicContact CG-SD 3.93Å; E25-M32 VanDerWaalsContact O-CG 3.25Å; E25-M32 WeakPolarHBondContact O-CG 3.04Å; M28-M32 WeakPolarHBondContact O-CG 3.4Å; M28-M32 PolarHBondContact O-N 2.97Å; M28-M32 VanDerWaalsContact O-N 3.11Å; P29-M32 PolarHBondContact O-N 3.4Å; G30-M32 PolarHBondContact O-N 2.94Å; M32-R35 PolarHBondContact O-N 3.17Å; M32-K36 PolarHBondContact O-N 3.02Å; M32-V61 HydrophobicContact CE-CG1 3.36Å
33	A	98.6	Very high	98.6	Very high	25 Å²	25	53.2 Å²	53.2	21%	0.207	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-39.2	174.5	0	0	0	0	0	111.9	P29 G30 L31 K36 K37 L397	P29-A33 VanDerWaalsContact O-CB 3.22Å; P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 2.66Å; G30-A33 PolarHBondContact O-N 3.09Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.26Å; A33-K36 PolarHBondContact O-N 3.31Å; A33-K37 VanDerWaalsContact O-CB 3.28Å; A33-K37 WeakPolarHBondContact O-CB 3.14Å; A33-K37 PolarHBondContact O-N 2.81Å; A33-L397 HydrophobicContact CB-CB 4.26Å; A33-L397 HydrophobicContact CB-CD1 4.29Å; A33-L397 HydrophobicContact CB-CD2 3.48Å; A33-L397 VanDerWaalsContact CB-CD2 3.48Å; A33-L397 HydrophobicContact CB-CG 4.19Å
34	C	98.6	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.5	172.5	-79.4	0	0	0	0	112	G30 L31 K36 K37 Y38 T65 V366	G30-C34 PolarHBondContact O-N 2.96Å; L31-C34 WeakPolarHBondContact O-CB 3.38Å; L31-C34 PolarHBondContact O-N 3.22Å; C34-K36 VanDerWaalsContact C-N 3.34Å; C34-K36 PolarHBondContact O-N 3.43Å; C34-K37 PolarHBondContact O-N 3.32Å; C34-Y38 HydrophobicContact CB-CD2 4.29Å; C34-Y38 WeakPolarHBondContact O-CB 3.26Å; C34-Y38 PolarHBondContact O-N 2.97Å; C34-T65 HydrophobicContact CB-CG2 4.32Å; C34-V366 HydrophobicContact CB-CG1 4.16Å
35	R	98.8	Very high	98.6	Very high	44 Å²	44	55 Å²	55	17%	0.166	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-48.1	174	-66.4	-175.4	-172.5	-178.6	2.5	111.1	E25 L31 M32 G39 V61 E64 T65 E68	E25-R35 IonicContact OE1-CZ 2.73Å; E25-R35 IonicContact OE1-NH1 3.54Å; E25-R35 PolarHBondContact OE1-NH1 3.39Å; E25-R35 IonicContact OE1-NH2 2.78Å; L31-R35 WeakPolarHBondContact O-CG 3.34Å; L31-R35 PolarHBondContact O-N 3.22Å; M32-R35 PolarHBondContact O-N 3.17Å; R35-G39 WeakPolarHBondContact O-CA 3.49Å; R35-G39 PolarHBondContact O-N 3.23Å; R35-V61 PolarHBondContact NH2-O 2.93Å; R35-E64 IonicContact NH2-OE2 2.63Å; R35-T65 HydrophobicContact CG-CG2 3.79Å; R35-T65 PolarHBondContact NE-OG1 3.31Å; R35-T65 PolarHBondContact NH2-OG1 2.95Å; R35-E68 HydrophobicContact CB-CG 4.12Å; R35-E68 HydrophobicContact CG-CB 4.19Å; R35-E68 HydrophobicContact CG-CG 4.05Å
36	K	98.5	Very high	98.6	Very high	182 Å²	182	55 Å²	55	79%	0.791	29%	0.288	S	S	*	.	H	α-helix	trans	-63.1	-44.2	179.3	-176.3	-179.4	178.2	-177.9	0	112.9	M32 A33 C34	M32-K36 PolarHBondContact O-N 3.02Å; A33-K36 PolarHBondContact O-N 3.31Å; C34-K36 VanDerWaalsContact C-N 3.34Å; C34-K36 PolarHBondContact O-N 3.43Å
37	K	97.9	Very high	98.6	Very high	109 Å²	109	49.7 Å²	49.7	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-75.6	-46.1	-175	-177.8	174.8	174.3	-174.6	0	112.2	A33 C34 E393	A33-K37 VanDerWaalsContact O-CB 3.28Å; A33-K37 WeakPolarHBondContact O-CB 3.14Å; A33-K37 PolarHBondContact O-N 2.81Å; C34-K37 PolarHBondContact O-N 3.32Å; K37-E393 IonicContact NZ-OE1 2.69Å; K37-E393 PolarHBondContact NZ-OE1 3.01Å; K37-E393 IonicContact NZ-OE2 3.14Å; K37-E393 PolarHBondContact NZ-OE2 2.89Å
38	Y	98.3	Very high	98.6	Very high	39 Å²	39	48.1 Å²	48.1	15%	0.153	25%	0.251	C	S	.	.	H	α-helix	trans	-106.5	-19	-168.9	-60.5	-64.7	0	0	0	114.1	C34 S41 K42 P43 L367 I370 E393	C34-Y38 HydrophobicContact CB-CD2 4.29Å; C34-Y38 WeakPolarHBondContact O-CB 3.26Å; C34-Y38 PolarHBondContact O-N 2.97Å; Y38-S41 PolarHBondContact O-N 3.26Å; Y38-S41 VanDerWaalsContact O-N 3.15Å; Y38-S41 PolarHBondContact O-OG 3.44Å; Y38-K42 PolarHBondContact O-N 3.14Å; Y38-K42 VanDerWaalsContact O-N 3.15Å; Y38-P43 WeakPolarHBondContact O-CD 3.35Å; Y38-L367 HydrophobicContact CE2-CD2 3.87Å; Y38-I370 HydrophobicContact CD2-CD1 3.96Å; Y38-I370 HydrophobicContact CE2-CD1 4.29Å; Y38-I370 HydrophobicContact CG-CD1 4.13Å; Y38-E393 PolarHBondContact OH-OE1 2.93Å
39	G	98.6	Very high	98.6	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.021	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-51.5	-47.6	178.9	0	0	0	0	0	113.7	R35 S41 K42	R35-G39 WeakPolarHBondContact O-CA 3.49Å; R35-G39 PolarHBondContact O-N 3.23Å; G39-S41 VanDerWaalsContact C-N 3.3Å; G39-S41 PolarHBondContact O-N 3.4Å; G39-K42 WeakPolarHBondContact O-CD 3.28Å; G39-K42 WeakPolarHBondContact O-CE 3.43Å; G39-K42 WeakPolarHBondContact O-CG 3.22Å; G39-K42 PolarHBondContact O-N 3.47Å; G39-K42 VanDerWaalsContact O-N 3.16Å
40	P	98.6	Very high	98.6	Very high	114 Å²	114	47.1 Å²	47.1	74%	0.74	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-59.8	-35.3	179.5	-27.2	36.1	0	0	0	114.4
41	S	98.5	Very high	98.6	Very high	82 Å²	82	47.1 Å²	47.1	57%	0.573	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-84.6	-14.2	-179.9	52.3	0	0	0	0	114.1	Y38 G39	Y38-S41 PolarHBondContact O-N 3.26Å; Y38-S41 VanDerWaalsContact O-N 3.15Å; Y38-S41 PolarHBondContact O-OG 3.44Å; G39-S41 VanDerWaalsContact C-N 3.3Å; G39-S41 PolarHBondContact O-N 3.4Å
42	K	98.7	Very high	98.6	Very high	75 Å²	75	47.1 Å²	47.1	33%	0.326	25%	0.245	S	C	.	.			trans	43.8	58.1	-176.2	-57.6	-69	175.4	-175.6	0	112.9	Y38 G39 L44 K45 E68 L69	Y38-K42 PolarHBondContact O-N 3.14Å; Y38-K42 VanDerWaalsContact O-N 3.15Å; G39-K42 WeakPolarHBondContact O-CD 3.28Å; G39-K42 WeakPolarHBondContact O-CE 3.43Å; G39-K42 WeakPolarHBondContact O-CG 3.22Å; G39-K42 PolarHBondContact O-N 3.47Å; G39-K42 VanDerWaalsContact O-N 3.16Å; K42-L44 PolarHBondContact O-N 3.2Å; K42-L44 VanDerWaalsContact O-N 3.12Å; K42-K45 HydrophobicContact CB-CB 4.39Å; K42-K45 VanDerWaalsContact O-CB 3.28Å; K42-K45 WeakPolarHBondContact O-CB 3.15Å; K42-K45 PolarHBondContact O-N 2.84Å; K42-E68 WeakPolarHBondContact CD-O 3.34Å; K42-E68 WeakPolarHBondContact CE-O 3.37Å; K42-E68 VanDerWaalsContact NZ-CD 3.34Å; K42-E68 PolarHBondContact NZ-O 2.73Å; K42-E68 IonicContact NZ-OE1 3.35Å; K42-E68 PolarHBondContact NZ-OE1 2.73Å; K42-E68 IonicContact NZ-OE2 2.73Å; K42-L69 CarbonylContact C-O 3.59Å; K42-L69 WeakPolarHBondContact CA-O 3.16Å
43	P	98.8	Very high	98.6	Very high	26 Å²	26	44.8 Å²	44.8	17%	0.169	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.9	-171.6	28.6	-37.5	0	0	0	113.4	Y38 K45 L69 I370 T374	Y38-P43 WeakPolarHBondContact O-CD 3.35Å; P43-K45 VanDerWaalsContact C-N 3.3Å; P43-L69 WeakPolarHBondContact CD-O 3.2Å; P43-L69 HydrophobicContact CG-CB 4.43Å; P43-L69 HydrophobicContact CG-CD2 4.29Å; P43-L69 HydrophobicContact CG-CG 4.25Å; P43-I370 HydrophobicContact CB-CG2 4.31Å; P43-I370 HydrophobicContact CG-CD1 4.26Å; P43-I370 HydrophobicContact CG-CG1 4.13Å; P43-T374 HydrophobicContact CB-CG2 4.18Å
44	L	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.9	178.8	-60	177.6	0	0	0	112.9	K42 G46 A47 I49 L66 L69 G70 A71 Q369 I370 W373	K42-L44 PolarHBondContact O-N 3.2Å; K42-L44 VanDerWaalsContact O-N 3.12Å; L44-G46 PolarHBondContact O-N 3.43Å; L44-G46 VanDerWaalsContact O-N 3.17Å; L44-A47 HydrophobicContact CB-CB 4.22Å; L44-A47 WeakPolarHBondContact O-CB 3.39Å; L44-A47 PolarHBondContact O-N 3.31Å; L44-I49 HydrophobicContact CD1-CD1 4.11Å; L44-L66 HydrophobicContact CD1-CD2 3.71Å; L44-L69 HydrophobicContact CB-CB 4.31Å; L44-L69 WeakPolarHBondContact CB-O 3.13Å; L44-L69 HydrophobicContact CD1-CB 3.79Å; L44-L69 HydrophobicContact CD1-CD2 4.24Å; L44-L69 HydrophobicContact CG-CB 4.07Å; L44-L69 PolarHBondContact N-O 2.93Å; L44-G70 CarbonylContact O-C 2.99Å; L44-A71 HydrophobicContact CB-CB 3.91Å; L44-A71 HydrophobicContact CD1-CB 4.3Å; L44-Q369 HydrophobicContact CD2-CB 4.35Å; L44-I370 HydrophobicContact CD2-CG1 4.04Å; L44-I370 HydrophobicContact CG-CG1 4.21Å; L44-W373 HydrophobicContact CD2-CB 4.01Å; L44-W373 HydrophobicContact CD2-CG 4.27Å
45	K	98.7	Very high	98.6	Very high	162 Å²	162	44.6 Å²	44.6	70%	0.704	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	124.8	175.1	-173.8	177	-179.2	179.4	0	110.6	K42 P43 A47 G70 W373	K42-K45 HydrophobicContact CB-CB 4.39Å; K42-K45 VanDerWaalsContact O-CB 3.28Å; K42-K45 WeakPolarHBondContact O-CB 3.15Å; K42-K45 PolarHBondContact O-N 2.84Å; P43-K45 VanDerWaalsContact C-N 3.3Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-G70 WeakPolarHBondContact CA-O 3.41Å; K45-W373 PolarHBondContact O-NE1 3.03Å
46	G	98.3	Very high	98.6	Very high	41 Å²	41	42.8 Å²	42.8	42%	0.423	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-9	-177.6	0	0	0	0	0	114.7	L44 N126 W373	L44-G46 PolarHBondContact O-N 3.43Å; L44-G46 VanDerWaalsContact O-N 3.17Å; G46-N126 PolarHBondContact O-ND2 3.23Å; G46-W373 WeakPolarHBondContact O-CH2 3.32Å; G46-W373 WeakPolarHBondContact O-CZ2 3.24Å
47	A	98.8	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.			trans	-69.5	138.1	169	0	0	0	0	0	109.6	L44 K45 I49 A71 Q72 N126 M127 W373	L44-A47 HydrophobicContact CB-CB 4.22Å; L44-A47 WeakPolarHBondContact O-CB 3.39Å; L44-A47 PolarHBondContact O-N 3.31Å; K45-A47 VanDerWaalsContact C-N 3.33Å; A47-I49 HydrophobicContact CB-CD1 4.35Å; A47-I49 HydrophobicContact CB-CG1 4.01Å; A47-A71 HydrophobicContact CB-CB 4.25Å; A47-Q72 PolarHBondContact O-N 2.86Å; A47-N126 WeakPolarHBondContact CA-OD1 3.16Å; A47-M127 HydrophobicContact CB-CG 4.33Å; A47-W373 HydrophobicContact CB-CD2 3.82Å; A47-W373 HydrophobicContact CB-CE3 4.07Å; A47-W373 HydrophobicContact CB-CG 4.24Å; A47-W373 HydrophobicContact CB-CZ2 4.29Å; A47-W373 HydrophobicContact CB-CZ3 4.42Å; A47-W373 VanDerWaalsContact N-CZ2 3.33Å
48	R	98.8	Very high	98.6	Very high	39 Å²	39	30.3 Å²	30.3	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	84.9	174.2	-74.4	-172.3	-55.7	-81.3	-2.3	105.9	Q72 F119 P124 N126 M127	R48-Q72 WeakPolarHBondContact CA-O 3.48Å; R48-Q72 HydrophobicContact CG-CB 4.26Å; R48-F119 HydrophobicContact CB-CD1 4.09Å; R48-F119 HydrophobicContact CB-CD2 3.82Å; R48-F119 HydrophobicContact CB-CE1 3.84Å; R48-F119 HydrophobicContact CB-CE2 3.59Å; R48-F119 HydrophobicContact CB-CG 4.09Å; R48-F119 HydrophobicContact CB-CZ 3.6Å; R48-F119 HydrophobicContact CG-CD1 3.92Å; R48-F119 HydrophobicContact CG-CD2 4.22Å; R48-F119 HydrophobicContact CG-CE1 4.09Å; R48-F119 HydrophobicContact CG-CE2 4.4Å; R48-F119 HydrophobicContact CG-CG 4Å; R48-F119 HydrophobicContact CG-CZ 4.34Å; R48-P124 PolarHBondContact NE-O 2.98Å; R48-P124 PolarHBondContact NH2-O 2.89Å; R48-N126 PolarHBondContact N-OD1 2.73Å; R48-N126 PolarHBondContact NH1-ND2 2.99Å; R48-N126 PolarHBondContact NH2-ND2 2.96Å; R48-N126 PolarHBondContact O-N 2.81Å; R48-N126 PolarHBondContact O-OD1 2.86Å; R48-M127 PolarHBondContact O-N 3.27Å
49	I	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.9	-172.3	-56.2	176.1	0	0	0	108.4	L44 A47 L66 A71 Q72 V73 Q74 M127 L129 Q369	L44-I49 HydrophobicContact CD1-CD1 4.11Å; A47-I49 HydrophobicContact CB-CD1 4.35Å; A47-I49 HydrophobicContact CB-CG1 4.01Å; I49-L66 HydrophobicContact CD1-CB 4.37Å; I49-L66 HydrophobicContact CD1-CD1 4.25Å; I49-L66 HydrophobicContact CD1-CD2 3.92Å; I49-L66 HydrophobicContact CD1-CG 4.41Å; I49-L66 HydrophobicContact CG2-CD1 4.42Å; I49-A71 HydrophobicContact CD1-CB 3.63Å; I49-A71 HydrophobicContact CG1-CB 4.1Å; I49-Q72 PolarHBondContact N-O 3.36Å; I49-V73 WeakPolarHBondContact O-CA 3.18Å; I49-Q74 PolarHBondContact O-N 2.84Å; I49-Q74 VanDerWaalsContact O-N 3.09Å; I49-M127 HydrophobicContact CB-CB 4.4Å; I49-M127 HydrophobicContact CG1-CB 3.83Å; I49-M127 HydrophobicContact CG1-CG 4.43Å; I49-L129 HydrophobicContact CG2-CB 4Å; I49-Q369 HydrophobicContact CD1-CG 4.46Å
50	T	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.9	168.4	-65.9	0	0	0	0	108.6	T116 L125 M127 L129 L135	T50-T116 VanDerWaalsContact CG2-CB 3.45Å; T50-T116 WeakPolarHBondContact CG2-OG1 3.5Å; T50-T116 PolarHBondContact OG1-O 3.44Å; T50-L125 HydrophobicContact CG2-CD1 4.24Å; T50-L125 WeakPolarHBondContact OG1-CB 3.16Å; T50-M127 PolarHBondContact N-O 2.93Å; T50-M127 VanDerWaalsContact N-O 3.08Å; T50-L129 PolarHBondContact O-N 3.04Å; T50-L135 HydrophobicContact CG2-CD1 3.8Å; T50-L135 HydrophobicContact CG2-CD2 3.61Å; T50-L135 HydrophobicContact CG2-CG 4.37Å; T50-L135 WeakPolarHBondContact O-CD2 3.31Å
51	G	98.8	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.5	178.4	0	0	0	0	0	112.6	Q74 W75 S76 L129	G51-Q74 PolarHBondContact N-O 3.44Å; G51-W75 WeakPolarHBondContact O-CA 3.31Å; G51-S76 PolarHBondContact O-N 3.28Å; G51-S76 PolarHBondContact O-OG 2.91Å; G51-L129 VanDerWaalsContact CA-O 3.31Å; G51-L129 WeakPolarHBondContact CA-O 3.28Å
52	C	98.8	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	94.3	165.3	-170.9	0	0	0	0	107.8	S76 S77 L129 D131 L135	C52-S76 WeakPolarHBondContact CA-O 3.33Å; C52-S77 PolarHBondContact SG-O 3.23Å; C52-L129 PolarHBondContact N-O 3.29Å; C52-D131 PolarHBondContact O-N 3.27Å; C52-L135 HydrophobicContact CB-CB 3.57Å; C52-L135 HydrophobicContact CB-CD2 3.94Å; C52-L135 HydrophobicContact CB-CG 4.4Å
53	L	98.5	Very high	98.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	-157.5	142.5	-174.5	-164.3	151.8	0	0	0	108.5	M55 T59 W75 S76 L129 D131 F362	L53-M55 PolarHBondContact O-N 3.27Å; L53-M55 VanDerWaalsContact O-N 3.11Å; L53-T59 HydrophobicContact CD2-CG2 3.92Å; L53-T59 VanDerWaalsContact CD2-OG1 3.26Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.41Å; L53-W75 HydrophobicContact CB-CZ2 3.92Å; L53-W75 PolarHBondContact O-NE1 3.2Å; L53-W75 VanDerWaalsContact O-NE1 3.11Å; L53-S76 PolarHBondContact N-O 3.16Å; L53-S76 VanDerWaalsContact N-O 3.11Å; L53-L129 HydrophobicContact CB-CD2 4.42Å; L53-L129 HydrophobicContact CD1-CD2 3.72Å; L53-D131 HydrophobicContact CB-CB 4.04Å; L53-D131 HydrophobicContact CD1-CB 3.91Å; L53-D131 HydrophobicContact CG-CB 3.64Å; L53-F362 HydrophobicContact CD1-CE1 3.85Å; L53-F362 HydrophobicContact CD1-CZ 4.44Å; L53-F362 HydrophobicContact CD2-CE1 3.81Å; L53-F362 HydrophobicContact CD2-CZ 3.59Å
54	H	98.2	Very high	98.7	Very high	20 Å²	20	15.6 Å²	15.6	9%	0.093	8%	0.081	C	C	.	.			trans	-32.8	115.6	176.8	-58.4	-54.8	0	0	0	112.9	T56 T59 C78 S82 L347	H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.01Å; H54-T56 PolarHBondContact O-N 3.15Å; H54-T59 WeakPolarHBondContact O-CB 3.01Å; H54-T59 PolarHBondContact O-OG1 3.29Å; H54-C78 PolarHBondContact CE1-SG 2.96Å; H54-C78 PolarHBondContact N-SG 3.43Å; H54-C78 PolarHBondContact ND1-SG 3.11Å; H54-C78 VanDerWaalsContact ND1-SG 3.38Å; H54-S82 WeakPolarHBondContact ND1-CB 3.49Å; H54-S82 PolarHBondContact ND1-OG 2.89Å; H54-L347 VanDerWaalsContact NE2-CD1 3.27Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.13Å
55	M	98.6	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.			trans	-80.9	75.8	-174.9	-174.1	62.8	-109.6	0	0	111.5	L53 A60 I63 W75 T83 Q84 A87 A88 I91 V98 A100	L53-M55 PolarHBondContact O-N 3.27Å; L53-M55 VanDerWaalsContact O-N 3.11Å; M55-A60 HydrophobicContact CE-CB 4.08Å; M55-I63 HydrophobicContact CE-CD1 3.91Å; M55-I63 HydrophobicContact SD-CD1 3.87Å; M55-W75 HydrophobicContact SD-CG 4.38Å; M55-T83 HydrophobicContact CB-CG2 3.98Å; M55-T83 HydrophobicContact CG-CG2 4.22Å; M55-T83 WeakPolarHBondContact O-CA 3.41Å; M55-Q84 PolarHBondContact O-N 2.65Å; M55-A87 HydrophobicContact CE-CB 4.37Å; M55-A88 HydrophobicContact CG-CB 3.81Å; M55-I91 HydrophobicContact CE-CG1 3.98Å; M55-V98 HydrophobicContact CG-CG1 4.07Å; M55-V98 HydrophobicContact SD-CG1 3.96Å; M55-V98 HydrophobicContact SD-CG2 4.44Å; M55-A100 HydrophobicContact CB-CB 3.79Å; M55-A100 HydrophobicContact CG-CB 3.9Å
56	T	98.3	Very high	98.7	Very high	7 Å²	7	7.9 Å²	7.9	4%	0.043	5%	0.047	C	C	.	.			trans	-105.3	173.2	-176.5	66.3	0	0	0	0	112.7	H54 Q58 T59 A60 Q84 A87 L347	H54-T56 VanDerWaalsContact C-N 3.31Å; H54-T56 HydrophobicContact CB-CG2 4.01Å; H54-T56 PolarHBondContact O-N 3.15Å; T56-Q58 PolarHBondContact O-N 3.46Å; T56-Q58 PolarHBondContact OG1-N 3.15Å; T56-Q58 PolarHBondContact OG1-OE1 3.03Å; T56-T59 PolarHBondContact O-N 2.93Å; T56-T59 PolarHBondContact OG1-N 3.07Å; T56-T59 VanDerWaalsContact OG1-N 3.13Å; T56-T59 PolarHBondContact OG1-OG1 2.91Å; T56-T59 VanDerWaalsContact OG1-OG1 3.05Å; T56-A60 PolarHBondContact O-N 2.59Å; T56-Q84 HydrophobicContact CG2-CG 4.47Å; T56-A87 VanDerWaalsContact C-CB 3.44Å; T56-L347 HydrophobicContact CG2-CD2 4.48Å
57	V	98.5	Very high	98.7	Very high	11 Å²	11	8.7 Å²	8.7	7%	0.067	4%	0.044	C	C	.	.	H	α-helix	trans	-57.1	-37.8	169.3	168.7	0	0	0	0	111.4	A20 I21 A24 A60 V61 Q84 A87	A20-V57 HydrophobicContact CB-CG1 4.14Å; A20-V57 HydrophobicContact CB-CG2 3.72Å; I21-V57 HydrophobicContact CG1-CG1 4.28Å; A24-V57 HydrophobicContact CB-CG1 3.53Å; V57-A60 WeakPolarHBondContact O-CB 3.17Å; V57-A60 PolarHBondContact O-N 3.25Å; V57-V61 PolarHBondContact O-N 3.24Å; V57-Q84 VanDerWaalsContact CG2-OE1 3.25Å; V57-A87 HydrophobicContact CB-CB 4.46Å; V57-A87 HydrophobicContact CG2-CB 3.9Å
58	Q	98.7	Very high	98.7	Very high	17 Å²	17	12.7 Å²	12.7	8%	0.079	6%	0.063	C	C	.	.	H	α-helix	trans	-66.6	-43.8	178.4	-64.3	74	18	0	0	110.7	M28 T56 A60 V61 L62 S355 M358 F362	M28-Q58 HydrophobicContact CE-CB 3.95Å; M28-Q58 HydrophobicContact CE-CG 4.43Å; M28-Q58 HydrophobicContact SD-CB 4.27Å; M28-Q58 HydrophobicContact SD-CG 4.42Å; T56-Q58 PolarHBondContact O-N 3.46Å; T56-Q58 PolarHBondContact OG1-N 3.15Å; T56-Q58 PolarHBondContact OG1-OE1 3.03Å; Q58-A60 VanDerWaalsContact C-N 3.28Å; Q58-A60 PolarHBondContact O-N 3.16Å; Q58-V61 WeakPolarHBondContact O-CB 3.41Å; Q58-V61 PolarHBondContact O-N 3.27Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; Q58-L62 PolarHBondContact O-N 3.28Å; Q58-S355 PolarHBondContact NE2-OG 2.92Å; Q58-M358 HydrophobicContact CB-CB 3.89Å; Q58-M358 HydrophobicContact CB-CG 4.13Å; Q58-M358 HydrophobicContact CG-CB 3.93Å; Q58-M358 HydrophobicContact CG-CG 3.97Å; Q58-F362 HydrophobicContact CB-CD2 4.47Å; Q58-F362 HydrophobicContact CB-CE2 3.79Å
59	T	98.7	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.2	-33.2	178.4	-54.7	0	0	0	0	111.3	L53 H54 T56 V61 L62 I63 W75	L53-T59 HydrophobicContact CD2-CG2 3.92Å; L53-T59 VanDerWaalsContact CD2-OG1 3.26Å; L53-T59 WeakPolarHBondContact CD2-OG1 3.41Å; H54-T59 WeakPolarHBondContact O-CB 3.01Å; H54-T59 PolarHBondContact O-OG1 3.29Å; T56-T59 PolarHBondContact O-N 2.93Å; T56-T59 PolarHBondContact OG1-N 3.07Å; T56-T59 VanDerWaalsContact OG1-N 3.13Å; T56-T59 PolarHBondContact OG1-OG1 2.91Å; T56-T59 VanDerWaalsContact OG1-OG1 3.05Å; T59-V61 VanDerWaalsContact C-N 3.29Å; T59-V61 PolarHBondContact O-N 2.74Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 2.98Å; T59-L62 VanDerWaalsContact O-N 3.13Å; T59-I63 HydrophobicContact CG2-CD1 4.21Å; T59-I63 HydrophobicContact CG2-CG1 4.44Å; T59-I63 WeakPolarHBondContact O-CG1 3.27Å; T59-I63 PolarHBondContact O-N 2.84Å; T59-W75 HydrophobicContact CG2-CZ2 3.47Å; T59-W75 VanDerWaalsContact CG2-CZ2 3.47Å
60	A	98.9	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.1	-40.5	171.2	0	0	0	0	0	112.2	I21 M55 T56 V57 Q58 I63 E64 A87 I91	I21-A60 HydrophobicContact CD1-CB 3.61Å; I21-A60 HydrophobicContact CG1-CB 3.81Å; M55-A60 HydrophobicContact CE-CB 4.08Å; T56-A60 PolarHBondContact O-N 2.59Å; V57-A60 WeakPolarHBondContact O-CB 3.17Å; V57-A60 PolarHBondContact O-N 3.25Å; Q58-A60 VanDerWaalsContact C-N 3.28Å; Q58-A60 PolarHBondContact O-N 3.16Å; A60-I63 PolarHBondContact O-N 3.47Å; A60-E64 PolarHBondContact O-N 2.81Å; A60-A87 HydrophobicContact CB-CB 4.5Å; A60-I91 HydrophobicContact CB-CD1 3.58Å; A60-I91 HydrophobicContact CB-CG1 3.52Å
61	V	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-38	174.9	-175	0	0	0	0	111.6	I21 A24 E25 M28 L31 M32 R35 V57 Q58 T59 T65	I21-V61 HydrophobicContact CG2-CG2 4.11Å; A24-V61 HydrophobicContact CB-CG2 4.05Å; E25-V61 HydrophobicContact CG-CG1 4.02Å; E25-V61 HydrophobicContact CG-CG2 4.05Å; M28-V61 HydrophobicContact CB-CG1 4.35Å; M28-V61 HydrophobicContact CE-CB 4.36Å; M28-V61 HydrophobicContact SD-CB 3.6Å; M28-V61 HydrophobicContact SD-CG1 3.86Å; M28-V61 HydrophobicContact SD-CG2 3.67Å; L31-V61 HydrophobicContact CB-CG1 4.24Å; L31-V61 HydrophobicContact CD1-CB 4.07Å; L31-V61 HydrophobicContact CD1-CG1 3.67Å; M32-V61 HydrophobicContact CE-CG1 3.36Å; R35-V61 PolarHBondContact NH2-O 2.93Å; V57-V61 PolarHBondContact O-N 3.24Å; Q58-V61 WeakPolarHBondContact O-CB 3.41Å; Q58-V61 PolarHBondContact O-N 3.27Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; T59-V61 VanDerWaalsContact C-N 3.29Å; T59-V61 PolarHBondContact O-N 2.74Å; V61-T65 WeakPolarHBondContact O-CB 3.42Å; V61-T65 PolarHBondContact O-N 3.26Å; V61-T65 PolarHBondContact O-OG1 3.42Å
62	L	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-51.6	172.5	166.3	62.2	0	0	0	111.3	L31 Q58 T59 E64 T65 L66 W75 L129 F362 Q365 V366	L31-L62 HydrophobicContact CD1-CB 4.3Å; Q58-L62 PolarHBondContact O-N 3.28Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 2.98Å; T59-L62 VanDerWaalsContact O-N 3.13Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 3.22Å; L62-T65 WeakPolarHBondContact O-CA 3.44Å; L62-T65 VanDerWaalsContact O-CB 3.31Å; L62-T65 WeakPolarHBondContact O-CB 3.34Å; L62-T65 PolarHBondContact O-N 3.17Å; L62-L66 HydrophobicContact CD1-CD1 4.04Å; L62-L66 HydrophobicContact CD1-CD2 4.44Å; L62-L66 HydrophobicContact CD1-CG 4.03Å; L62-L66 HydrophobicContact CG-CD1 4.25Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 3.37Å; L62-W75 HydrophobicContact CD2-CH2 3.89Å; L62-W75 HydrophobicContact CD2-CZ2 4.12Å; L62-W75 HydrophobicContact CG-CH2 4.22Å; L62-L129 HydrophobicContact CD2-CD1 4.18Å; L62-L129 HydrophobicContact CD2-CD2 4.43Å; L62-F362 HydrophobicContact CB-CB 4.13Å; L62-F362 HydrophobicContact CB-CD2 3.73Å; L62-F362 HydrophobicContact CB-CE2 4.36Å; L62-F362 HydrophobicContact CB-CG 4.03Å; L62-F362 HydrophobicContact CD1-CB 4.16Å; L62-F362 HydrophobicContact CD2-CB 4.22Å; L62-F362 HydrophobicContact CD2-CD1 3.86Å; L62-F362 HydrophobicContact CD2-CD2 4.12Å; L62-F362 HydrophobicContact CD2-CE1 4.22Å; L62-F362 HydrophobicContact CD2-CE2 4.47Å; L62-F362 HydrophobicContact CD2-CG 3.81Å; L62-F362 HydrophobicContact CG-CB 4.39Å; L62-F362 HydrophobicContact CG-CG 4.36Å; L62-Q365 HydrophobicContact CD1-CB 4.46Å; L62-V366 HydrophobicContact CD1-CG2 3.58Å
63	I	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-54.1	-51.8	179.2	-71.4	167.4	0	0	0	110.5	M55 T59 A60 T65 L66 V67 V73 W75 I91 V96	M55-I63 HydrophobicContact CE-CD1 3.91Å; M55-I63 HydrophobicContact SD-CD1 3.87Å; T59-I63 HydrophobicContact CG2-CD1 4.21Å; T59-I63 HydrophobicContact CG2-CG1 4.44Å; T59-I63 WeakPolarHBondContact O-CG1 3.27Å; T59-I63 PolarHBondContact O-N 2.84Å; A60-I63 PolarHBondContact O-N 3.47Å; I63-T65 PolarHBondContact O-N 3.28Å; I63-L66 PolarHBondContact O-N 2.98Å; I63-L66 VanDerWaalsContact O-N 3.16Å; I63-V67 WeakPolarHBondContact O-CG2 3.24Å; I63-V67 PolarHBondContact O-N 2.97Å; I63-V73 HydrophobicContact CG1-CG1 4.49Å; I63-V73 HydrophobicContact CG2-CG1 4.11Å; I63-W75 HydrophobicContact CD1-CB 4.02Å; I63-W75 HydrophobicContact CD1-CD2 3.52Å; I63-W75 HydrophobicContact CD1-CE3 3.9Å; I63-W75 HydrophobicContact CD1-CG 3.59Å; I63-W75 HydrophobicContact CG1-CD2 3.61Å; I63-W75 HydrophobicContact CG1-CE3 3.49Å; I63-W75 VanDerWaalsContact CG1-CE3 3.49Å; I63-W75 HydrophobicContact CG1-CG 4.23Å; I63-W75 HydrophobicContact CG1-CH2 3.98Å; I63-W75 HydrophobicContact CG1-CZ2 4.15Å; I63-W75 HydrophobicContact CG1-CZ3 3.67Å; I63-I91 HydrophobicContact CD1-CG1 4.35Å; I63-I91 HydrophobicContact CD1-CG2 4.23Å; I63-I91 HydrophobicContact CG2-CD1 4.38Å; I63-I91 HydrophobicContact CG2-CG2 3.98Å; I63-V96 HydrophobicContact CG2-CG1 3.91Å; I63-V96 HydrophobicContact CG2-CG2 4.34Å
64	E	98.9	Very high	98.7	Very high	29 Å²	29	17 Å²	17	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-28.1	179.3	-72.4	-170.9	157.6	0	0	112.5	R18 R35 A60 L62 E68 I91	R18-E64 IonicContact CZ-OE1 2.77Å; R18-E64 VanDerWaalsContact NH1-CD 3.3Å; R18-E64 IonicContact NH1-OE1 3.62Å; R18-E64 PolarHBondContact NH1-OE1 2.89Å; R18-E64 IonicContact NH1-OE2 2.75Å; R18-E64 PolarHBondContact NH1-OE2 3.43Å; R18-E64 IonicContact NH2-OE1 3.74Å; R18-E64 PolarHBondContact NH2-OE1 3.39Å; R35-E64 IonicContact NH2-OE2 2.63Å; A60-E64 PolarHBondContact O-N 2.81Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 3.22Å; E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.42Å; E64-I91 HydrophobicContact CG-CD1 3.86Å
65	T	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-44.8	172.1	-58.5	0	0	0	0	111.3	L31 C34 R35 V61 L62 I63 V67 E68 L69 V366	L31-T65 HydrophobicContact CD2-CG2 4.31Å; C34-T65 HydrophobicContact CB-CG2 4.32Å; R35-T65 HydrophobicContact CG-CG2 3.79Å; R35-T65 PolarHBondContact NE-OG1 3.31Å; R35-T65 PolarHBondContact NH2-OG1 2.95Å; V61-T65 WeakPolarHBondContact O-CB 3.42Å; V61-T65 PolarHBondContact O-N 3.26Å; V61-T65 PolarHBondContact O-OG1 3.42Å; L62-T65 WeakPolarHBondContact O-CA 3.44Å; L62-T65 VanDerWaalsContact O-CB 3.31Å; L62-T65 WeakPolarHBondContact O-CB 3.34Å; L62-T65 PolarHBondContact O-N 3.17Å; I63-T65 PolarHBondContact O-N 3.28Å; T65-V67 VanDerWaalsContact C-N 3.33Å; T65-V67 PolarHBondContact O-N 3.39Å; T65-E68 PolarHBondContact O-N 2.98Å; T65-L69 HydrophobicContact CG2-CD1 4.14Å; T65-L69 VanDerWaalsContact O-CD1 3.24Å; T65-L69 WeakPolarHBondContact O-CD1 3.13Å; T65-L69 PolarHBondContact O-N 3.42Å; T65-V366 HydrophobicContact CG2-CG1 4.42Å; T65-V366 HydrophobicContact CG2-CG2 3.9Å
66	L	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.8	-65.1	170.3	0	0	0	111.4	L44 I49 L62 I63 L69 G70 A71 V73 W75 L129 V366 Q369	L44-L66 HydrophobicContact CD1-CD2 3.71Å; I49-L66 HydrophobicContact CD1-CB 4.37Å; I49-L66 HydrophobicContact CD1-CD1 4.25Å; I49-L66 HydrophobicContact CD1-CD2 3.92Å; I49-L66 HydrophobicContact CD1-CG 4.41Å; I49-L66 HydrophobicContact CG2-CD1 4.42Å; L62-L66 HydrophobicContact CD1-CD1 4.04Å; L62-L66 HydrophobicContact CD1-CD2 4.44Å; L62-L66 HydrophobicContact CD1-CG 4.03Å; L62-L66 HydrophobicContact CG-CD1 4.25Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 3.37Å; I63-L66 PolarHBondContact O-N 2.98Å; I63-L66 VanDerWaalsContact O-N 3.16Å; L66-L69 CarbonylContact O-C 3.56Å; L66-L69 PolarHBondContact O-N 3.31Å; L66-G70 PolarHBondContact O-N 3.37Å; L66-A71 HydrophobicContact CB-CB 4.34Å; L66-A71 VanDerWaalsContact O-CB 3.31Å; L66-A71 WeakPolarHBondContact O-CB 3.36Å; L66-A71 PolarHBondContact O-N 3.09Å; L66-V73 HydrophobicContact CB-CG2 3.88Å; L66-W75 HydrophobicContact CD1-CH2 4.18Å; L66-W75 HydrophobicContact CD1-CZ3 3.93Å; L66-L129 HydrophobicContact CD1-CD1 3.96Å; L66-V366 HydrophobicContact CD2-CG2 4.07Å; L66-Q369 HydrophobicContact CD2-CB 4.4Å; L66-Q369 HydrophobicContact CD2-CG 4.38Å
67	V	98.9	Very high	98.8	Very high	59 Å²	59	15.7 Å²	15.7	36%	0.358	9%	0.086	S	C	.	.	H	α-helix	trans	-63.1	-45.2	174.3	174.3	0	0	0	0	111.2	I63 T65 L69 G70 V73 V96	I63-V67 WeakPolarHBondContact O-CG2 3.24Å; I63-V67 PolarHBondContact O-N 2.97Å; T65-V67 VanDerWaalsContact C-N 3.33Å; T65-V67 PolarHBondContact O-N 3.39Å; V67-L69 PolarHBondContact O-N 2.57Å; V67-G70 WeakPolarHBondContact O-CA 3.22Å; V67-G70 PolarHBondContact O-N 3.28Å; V67-V73 HydrophobicContact CG2-CB 4.17Å; V67-V73 HydrophobicContact CG2-CG2 3.76Å; V67-V96 HydrophobicContact CG2-CG2 4.03Å
68	E	98.8	Very high	98.7	Very high	83 Å²	83	15.6 Å²	15.6	39%	0.388	9%	0.086	S	C	.	.	H	α-helix	trans	-62.1	-25.1	175.6	-175.5	51.3	-135.4	0	0	112	R35 K42 E64 T65 G70	R35-E68 HydrophobicContact CB-CG 4.12Å; R35-E68 HydrophobicContact CG-CB 4.19Å; R35-E68 HydrophobicContact CG-CG 4.05Å; K42-E68 WeakPolarHBondContact CD-O 3.34Å; K42-E68 WeakPolarHBondContact CE-O 3.37Å; K42-E68 VanDerWaalsContact NZ-CD 3.34Å; K42-E68 PolarHBondContact NZ-O 2.73Å; K42-E68 IonicContact NZ-OE1 3.35Å; K42-E68 PolarHBondContact NZ-OE1 2.73Å; K42-E68 IonicContact NZ-OE2 2.73Å; E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.42Å; T65-E68 PolarHBondContact O-N 2.98Å; E68-G70 VanDerWaalsContact C-N 3.29Å
69	L	98.9	Very high	98.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.2	173.5	-89.7	61.8	0	0	0	113.6	K42 P43 L44 T65 L66 V67 V366 I370	K42-L69 CarbonylContact C-O 3.59Å; K42-L69 WeakPolarHBondContact CA-O 3.16Å; P43-L69 WeakPolarHBondContact CD-O 3.2Å; P43-L69 HydrophobicContact CG-CB 4.43Å; P43-L69 HydrophobicContact CG-CD2 4.29Å; P43-L69 HydrophobicContact CG-CG 4.25Å; L44-L69 HydrophobicContact CB-CB 4.31Å; L44-L69 WeakPolarHBondContact CB-O 3.13Å; L44-L69 HydrophobicContact CD1-CB 3.79Å; L44-L69 HydrophobicContact CD1-CD2 4.24Å; L44-L69 HydrophobicContact CG-CB 4.07Å; L44-L69 PolarHBondContact N-O 2.93Å; T65-L69 HydrophobicContact CG2-CD1 4.14Å; T65-L69 VanDerWaalsContact O-CD1 3.24Å; T65-L69 WeakPolarHBondContact O-CD1 3.13Å; T65-L69 PolarHBondContact O-N 3.42Å; L66-L69 CarbonylContact O-C 3.56Å; L66-L69 PolarHBondContact O-N 3.31Å; V67-L69 PolarHBondContact O-N 2.57Å; L69-V366 HydrophobicContact CD2-CG1 3.64Å; L69-I370 HydrophobicContact CD2-CD1 3.61Å; L69-I370 HydrophobicContact CD2-CG1 4.09Å
70	G	98.7	Very high	98.3	Very high	23 Å²	23	16.7 Å²	16.7	24%	0.237	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	101	3.7	172.2	0	0	0	0	0	115.7	L44 K45 L66 V67 E68	L44-G70 CarbonylContact O-C 2.99Å; K45-G70 WeakPolarHBondContact CA-O 3.41Å; L66-G70 PolarHBondContact O-N 3.37Å; V67-G70 WeakPolarHBondContact O-CA 3.22Å; V67-G70 PolarHBondContact O-N 3.28Å; E68-G70 VanDerWaalsContact C-N 3.29Å
71	A	98.8	Very high	98.1	Very high	8 Å²	8	17.5 Å²	17.5	7%	0.066	10%	0.095	C	C	.	.			trans	-73.2	149.4	177.1	0	0	0	0	0	111.8	L44 A47 I49 L66 V73	L44-A71 HydrophobicContact CB-CB 3.91Å; L44-A71 HydrophobicContact CD1-CB 4.3Å; A47-A71 HydrophobicContact CB-CB 4.25Å; I49-A71 HydrophobicContact CD1-CB 3.63Å; I49-A71 HydrophobicContact CG1-CB 4.1Å; L66-A71 HydrophobicContact CB-CB 4.34Å; L66-A71 VanDerWaalsContact O-CB 3.31Å; L66-A71 WeakPolarHBondContact O-CB 3.36Å; L66-A71 PolarHBondContact O-N 3.09Å; A71-V73 HydrophobicContact CB-CG2 4.03Å
72	Q	98.8	Very high	97.9	Very high	92 Å²	92	17.7 Å²	17.7	43%	0.43	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.9	152.9	-63.1	177.7	-6.2	0	0	107.7	A47 R48 I49 F119	A47-Q72 PolarHBondContact O-N 2.86Å; R48-Q72 WeakPolarHBondContact CA-O 3.48Å; R48-Q72 HydrophobicContact CG-CB 4.26Å; I49-Q72 PolarHBondContact N-O 3.36Å; Q72-F119 HydrophobicContact CB-CD1 3.76Å; Q72-F119 HydrophobicContact CB-CE1 3.58Å; Q72-F119 WeakPolarHBondContact O-CE1 3.35Å
73	V	98.9	Very high	97.9	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.042	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.9	-174.8	-177.4	0	0	0	0	110.2	I49 I63 L66 V67 A71 W75 V96	I49-V73 WeakPolarHBondContact O-CA 3.18Å; I63-V73 HydrophobicContact CG1-CG1 4.49Å; I63-V73 HydrophobicContact CG2-CG1 4.11Å; L66-V73 HydrophobicContact CB-CG2 3.88Å; V67-V73 HydrophobicContact CG2-CB 4.17Å; V67-V73 HydrophobicContact CG2-CG2 3.76Å; A71-V73 HydrophobicContact CB-CG2 4.03Å; V73-W75 HydrophobicContact CG1-CE3 3.4Å; V73-W75 VanDerWaalsContact CG1-CE3 3.4Å; V73-W75 HydrophobicContact CG1-CZ3 3.71Å; V73-V96 HydrophobicContact CB-CG1 4.34Å; V73-V96 HydrophobicContact CG1-CG1 4.4Å
74	Q	98.8	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.3	163.6	-57.2	-171.1	134.3	0	0	108.6	I49 G51 P97 T116 V118 F119	I49-Q74 PolarHBondContact O-N 2.84Å; I49-Q74 VanDerWaalsContact O-N 3.09Å; G51-Q74 PolarHBondContact N-O 3.44Å; Q74-P97 WeakPolarHBondContact CA-O 3.14Å; Q74-P97 HydrophobicContact CB-CB 4.3Å; Q74-P97 HydrophobicContact CG-CB 3.97Å; Q74-P97 HydrophobicContact CG-CG 3.97Å; Q74-T116 HydrophobicContact CB-CG2 4.37Å; Q74-T116 VanDerWaalsContact NE2-C 3.26Å; Q74-T116 PolarHBondContact NE2-O 2.9Å; Q74-V118 PolarHBondContact NE2-O 3Å; Q74-V118 PolarHBondContact OE1-O 2.94Å; Q74-F119 HydrophobicContact CB-CZ 4.31Å; Q74-F119 HydrophobicContact CG-CD1 4.01Å; Q74-F119 HydrophobicContact CG-CE1 3.72Å; Q74-F119 HydrophobicContact CG-CE2 4.23Å; Q74-F119 HydrophobicContact CG-CG 4.39Å; Q74-F119 HydrophobicContact CG-CZ 3.83Å
75	W	98.9	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146	-168.2	-141.5	-90.1	0	0	0	114.5	G51 L53 M55 T59 L62 I63 L66 V73 P97 V98 Y99 T116 L129	G51-W75 WeakPolarHBondContact O-CA 3.31Å; L53-W75 HydrophobicContact CB-CZ2 3.92Å; L53-W75 PolarHBondContact O-NE1 3.2Å; L53-W75 VanDerWaalsContact O-NE1 3.11Å; M55-W75 HydrophobicContact SD-CG 4.38Å; T59-W75 HydrophobicContact CG2-CZ2 3.47Å; T59-W75 VanDerWaalsContact CG2-CZ2 3.47Å; L62-W75 HydrophobicContact CD2-CH2 3.89Å; L62-W75 HydrophobicContact CD2-CZ2 4.12Å; L62-W75 HydrophobicContact CG-CH2 4.22Å; I63-W75 HydrophobicContact CD1-CB 4.02Å; I63-W75 HydrophobicContact CD1-CD2 3.52Å; I63-W75 HydrophobicContact CD1-CE3 3.9Å; I63-W75 HydrophobicContact CD1-CG 3.59Å; I63-W75 HydrophobicContact CG1-CD2 3.61Å; I63-W75 HydrophobicContact CG1-CE3 3.49Å; I63-W75 VanDerWaalsContact CG1-CE3 3.49Å; I63-W75 HydrophobicContact CG1-CG 4.23Å; I63-W75 HydrophobicContact CG1-CH2 3.98Å; I63-W75 HydrophobicContact CG1-CZ2 4.15Å; I63-W75 HydrophobicContact CG1-CZ3 3.67Å; L66-W75 HydrophobicContact CD1-CH2 4.18Å; L66-W75 HydrophobicContact CD1-CZ3 3.93Å; V73-W75 HydrophobicContact CG1-CE3 3.4Å; V73-W75 VanDerWaalsContact CG1-CE3 3.4Å; V73-W75 HydrophobicContact CG1-CZ3 3.71Å; W75-P97 PolarHBondContact N-O 3.12Å; W75-V98 HydrophobicContact CB-CG2 4.18Å; W75-V98 WeakPolarHBondContact O-CA 3.29Å; W75-Y99 PolarHBondContact O-N 2.87Å; W75-T116 VanDerWaalsContact C-CG2 3.48Å; W75-T116 WeakPolarHBondContact O-CG2 3.16Å; W75-L129 HydrophobicContact CH2-CD1 4Å; W75-L129 HydrophobicContact CH2-CD2 3.86Å; W75-L129 HydrophobicContact CH2-CG 4.42Å; W75-L129 HydrophobicContact CZ2-CD2 4.07Å
76	S	98.9	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.4	168.9	56.9	0	0	0	0	109.4	G51 C52 L53	G51-S76 PolarHBondContact O-N 3.28Å; G51-S76 PolarHBondContact O-OG 2.91Å; C52-S76 WeakPolarHBondContact CA-O 3.33Å; L53-S76 PolarHBondContact N-O 3.16Å; L53-S76 VanDerWaalsContact N-O 3.11Å
77	S	98.3	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.			trans	-76.5	155.1	171.5	-162.4	0	0	0	0	110.4	C52 N79 S82 T83 Y109	C52-S77 PolarHBondContact SG-O 3.23Å; S77-N79 PolarHBondContact OG-N 3.25Å; S77-N79 PolarHBondContact OG-O 3.5Å; S77-N79 VanDerWaalsContact OG-O 3.12Å; S77-S82 PolarHBondContact OG-OG 2.7Å; S77-T83 WeakPolarHBondContact CB-OG1 3.24Å; S77-T83 PolarHBondContact OG-OG1 3.36Å; S77-Y109 VanDerWaalsContact O-CE2 3.24Å; S77-Y109 WeakPolarHBondContact O-CE2 3.28Å
78	C	96.7	Very high	97.8	Very high	10 Å²	10	17 Å²	17	7%	0.068	9%	0.091	C	C	.	.	S	Bend	trans	-99.6	5.8	170.1	64.6	0	0	0	0	112.9	H54 Y109 D131	H54-C78 PolarHBondContact CE1-SG 2.96Å; H54-C78 PolarHBondContact N-SG 3.43Å; H54-C78 PolarHBondContact ND1-SG 3.11Å; H54-C78 VanDerWaalsContact ND1-SG 3.38Å; C78-Y109 WeakPolarHBondContact CA-OH 3.44Å; C78-Y109 PolarHBondContact O-OH 3.32Å; C78-D131 WeakPolarHBondContact CB-O 3.45Å
79	N	94	Very high	97.8	Very high	23 Å²	23	13 Å²	13	12%	0.123	7%	0.073	C	C	.	.	S	Bend	trans	-154.2	132.6	175.3	-177.5	-77.4	0	0	0	111.7	S77 F81 S82	S77-N79 PolarHBondContact OG-N 3.25Å; S77-N79 PolarHBondContact OG-O 3.5Å; S77-N79 VanDerWaalsContact OG-O 3.12Å; N79-F81 PolarHBondContact O-N 2.88Å; N79-F81 VanDerWaalsContact O-N 3.08Å; N79-F81 PolarHBondContact OD1-N 3.37Å; N79-S82 PolarHBondContact O-N 2.79Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact O-OG 3.15Å; N79-S82 PolarHBondContact OD1-N 3.17Å
80	I	95.6	Very high	97.8	Very high	16 Å²	16	13.1 Å²	13.1	8%	0.082	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.7	-173.5	64.5	173.9	0	0	0	115	G103 E104 Y109	I80-G103 WeakPolarHBondContact O-CA 3.38Å; I80-G103 PolarHBondContact O-N 2.94Å; I80-E104 HydrophobicContact CB-CB 4.06Å; I80-E104 WeakPolarHBondContact CB-O 3.48Å; I80-E104 HydrophobicContact CG2-CB 4.03Å; I80-E104 PolarHBondContact O-N 3.2Å; I80-Y109 HydrophobicContact CG2-CD2 4.06Å; I80-Y109 HydrophobicContact CG2-CG 4.04Å
81	F	93.1	Very high	97.8	Very high	17 Å²	17	12 Å²	12	8%	0.075	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-0.9	-179.8	-61.7	-43.1	0	0	0	114.1	N79 K102 Q324 E341	N79-F81 PolarHBondContact O-N 2.88Å; N79-F81 VanDerWaalsContact O-N 3.08Å; N79-F81 PolarHBondContact OD1-N 3.37Å; F81-K102 PolarHBondContact O-NZ 3.3Å; F81-Q324 HydrophobicContact CD2-CG 4.49Å; F81-E341 WeakPolarHBondContact CE2-OE1 3.17Å; F81-E341 VanDerWaalsContact CZ-OE1 3.27Å; F81-E341 WeakPolarHBondContact CZ-OE1 3.49Å
82	S	95.9	Very high	97.8	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.028	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-16.2	-171.5	66.1	0	0	0	0	114.6	H54 S77 N79 Q84	H54-S82 WeakPolarHBondContact ND1-CB 3.49Å; H54-S82 PolarHBondContact ND1-OG 2.89Å; S77-S82 PolarHBondContact OG-OG 2.7Å; N79-S82 PolarHBondContact O-N 2.79Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact O-OG 3.15Å; N79-S82 PolarHBondContact OD1-N 3.17Å; S82-Q84 PolarHBondContact O-N 3.29Å
83	T	98.2	Very high	97.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	7%	0.066	C	C	.	.			trans	-62.6	135	-178.8	-57	0	0	0	0	111.1	M55 S77 A88 A100 W101 K102	M55-T83 HydrophobicContact CB-CG2 3.98Å; M55-T83 HydrophobicContact CG-CG2 4.22Å; M55-T83 WeakPolarHBondContact O-CA 3.41Å; S77-T83 WeakPolarHBondContact CB-OG1 3.24Å; S77-T83 PolarHBondContact OG-OG1 3.36Å; T83-A88 HydrophobicContact CG2-CB 4.04Å; T83-A100 HydrophobicContact CG2-CB 4.01Å; T83-W101 VanDerWaalsContact CB-C 3.43Å; T83-W101 PolarHBondContact OG1-O 2.73Å; T83-K102 WeakPolarHBondContact O-CB 3.44Å
84	Q	98.4	Very high	97.8	Very high	21 Å²	21	13.4 Å²	13.4	10%	0.098	8%	0.083	C	C	.	.			trans	-99.8	103.8	166	-65.7	172.8	5.5	0	0	107.2	M55 T56 V57 S82 N86 A87 A88 H351	M55-Q84 PolarHBondContact O-N 2.65Å; T56-Q84 HydrophobicContact CG2-CG 4.47Å; V57-Q84 VanDerWaalsContact CG2-OE1 3.25Å; S82-Q84 PolarHBondContact O-N 3.29Å; Q84-N86 PolarHBondContact O-N 3.21Å; Q84-N86 VanDerWaalsContact O-N 3.13Å; Q84-A87 HydrophobicContact CB-CB 4.07Å; Q84-A87 WeakPolarHBondContact O-CA 3.46Å; Q84-A87 WeakPolarHBondContact O-CB 3.09Å; Q84-A87 PolarHBondContact O-N 2.79Å; Q84-A88 PolarHBondContact O-N 2.76Å; Q84-H351 PolarHBondContact NE2-O 3.05Å
85	D	98.6	Very high	97.7	Very high	39 Å²	39	16.5 Å²	16.5	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-31.9	-168.6	-63.2	-44.7	0	0	0	113.3	A9 L13 A88 A89 W101 K102	A9-D85 HydrophobicContact CB-CB 3.97Å; L13-D85 HydrophobicContact CD1-CB 3.9Å; D85-A88 PolarHBondContact O-N 3.42Å; D85-A89 VanDerWaalsContact O-CB 3.29Å; D85-A89 WeakPolarHBondContact O-CB 3.41Å; D85-A89 PolarHBondContact O-N 2.63Å; D85-W101 VanDerWaalsContact OD1-CA 3.26Å; D85-W101 WeakPolarHBondContact OD1-CA 3.28Å; D85-K102 PolarHBondContact OD1-N 2.94Å
86	N	98.6	Very high	97.7	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-39.6	173	63.8	-39.9	0	0	0	112.5	L13 W16 G17 Q84 A90	L13-N86 HydrophobicContact CB-CB 4.02Å; W16-N86 HydrophobicContact CD2-CB 3.77Å; W16-N86 HydrophobicContact CE3-CB 3.5Å; W16-N86 VanDerWaalsContact CE3-CB 3.5Å; W16-N86 HydrophobicContact CG-CB 4.3Å; W16-N86 HydrophobicContact CH2-CB 4.42Å; W16-N86 HydrophobicContact CZ3-CB 3.86Å; G17-N86 VanDerWaalsContact CA-O 3.31Å; G17-N86 WeakPolarHBondContact CA-O 3.28Å; Q84-N86 PolarHBondContact O-N 3.21Å; Q84-N86 VanDerWaalsContact O-N 3.13Å; N86-A90 WeakPolarHBondContact O-CB 3.25Å; N86-A90 PolarHBondContact O-N 2.78Å
87	A	98.7	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.9	-45.2	174.6	0	0	0	0	0	111.4	M55 T56 V57 A60 Q84 A89 A90 I91	M55-A87 HydrophobicContact CE-CB 4.37Å; T56-A87 VanDerWaalsContact C-CB 3.44Å; V57-A87 HydrophobicContact CB-CB 4.46Å; V57-A87 HydrophobicContact CG2-CB 3.9Å; A60-A87 HydrophobicContact CB-CB 4.5Å; Q84-A87 HydrophobicContact CB-CB 4.07Å; Q84-A87 WeakPolarHBondContact O-CA 3.46Å; Q84-A87 WeakPolarHBondContact O-CB 3.09Å; Q84-A87 PolarHBondContact O-N 2.79Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.84Å; A87-A90 PolarHBondContact O-N 2.65Å; A87-I91 PolarHBondContact O-N 3.23Å
88	A	98.9	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-46	175.9	0	0	0	0	0	111.4	V8 M55 T83 Q84 D85 A90 I91 A92 V98	V8-A88 HydrophobicContact CB-CB 4.34Å; V8-A88 HydrophobicContact CG1-CB 3.86Å; M55-A88 HydrophobicContact CG-CB 3.81Å; T83-A88 HydrophobicContact CG2-CB 4.04Å; Q84-A88 PolarHBondContact O-N 2.76Å; D85-A88 PolarHBondContact O-N 3.42Å; A88-A90 PolarHBondContact O-N 3.22Å; A88-I91 PolarHBondContact O-N 3.16Å; A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.46Å; A88-V98 HydrophobicContact CB-CG1 4.17Å
89	A	98.9	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-42.6	175.7	0	0	0	0	0	112.6	D10 I11 L13 A14 D85 A87 I91 A92 A93	D10-A89 VanDerWaalsContact O-CB 3.32Å; D10-A89 WeakPolarHBondContact O-CB 3.25Å; I11-A89 HydrophobicContact CD1-CB 4.45Å; L13-A89 HydrophobicContact CB-CB 4Å; A14-A89 HydrophobicContact CB-CB 4.28Å; D85-A89 VanDerWaalsContact O-CB 3.29Å; D85-A89 WeakPolarHBondContact O-CB 3.41Å; D85-A89 PolarHBondContact O-N 2.63Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.84Å; A89-I91 PolarHBondContact O-N 3.08Å; A89-A92 PolarHBondContact O-N 3.1Å; A89-A93 WeakPolarHBondContact O-CB 3.22Å; A89-A93 PolarHBondContact O-N 3.34Å
90	A	98.9	Very high	98.1	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-66.5	-34.8	179.8	0	0	0	0	0	113.3	I21 N86 A87 A88 T94	I21-A90 HydrophobicContact CD1-CB 3.69Å; N86-A90 WeakPolarHBondContact O-CB 3.25Å; N86-A90 PolarHBondContact O-N 2.78Å; A87-A90 PolarHBondContact O-N 2.65Å; A88-A90 PolarHBondContact O-N 3.22Å; A90-T94 WeakPolarHBondContact O-CG2 3.47Å
91	I	98.9	Very high	98.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-73.9	-44.8	173	-66.1	-52	0	0	0	111.3	I21 M55 A60 I63 E64 A87 A88 A89 A93 T94 V96 V98	I21-I91 HydrophobicContact CD1-CD1 4.39Å; M55-I91 HydrophobicContact CE-CG1 3.98Å; A60-I91 HydrophobicContact CB-CD1 3.58Å; A60-I91 HydrophobicContact CB-CG1 3.52Å; I63-I91 HydrophobicContact CD1-CG1 4.35Å; I63-I91 HydrophobicContact CD1-CG2 4.23Å; I63-I91 HydrophobicContact CG2-CD1 4.38Å; I63-I91 HydrophobicContact CG2-CG2 3.98Å; E64-I91 HydrophobicContact CG-CD1 3.86Å; A87-I91 PolarHBondContact O-N 3.23Å; A88-I91 PolarHBondContact O-N 3.16Å; A89-I91 PolarHBondContact O-N 3.08Å; I91-A93 PolarHBondContact O-N 3.09Å; I91-T94 PolarHBondContact O-N 3.44Å; I91-T94 PolarHBondContact O-OG1 3.12Å; I91-V96 HydrophobicContact CG2-CB 3.68Å; I91-V96 HydrophobicContact CG2-CG1 3.74Å; I91-V98 HydrophobicContact CB-CG2 3.94Å; I91-V98 HydrophobicContact CG2-CG2 3.3Å
92	A	98.7	Very high	98.4	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-55.5	-39	175.4	0	0	0	0	0	111.8	Y6 V8 I11 A88 A89 T94 G95	Y6-A92 HydrophobicContact CD1-CB 4.11Å; Y6-A92 HydrophobicContact CD2-CB 3.97Å; Y6-A92 HydrophobicContact CE2-CB 4.48Å; Y6-A92 HydrophobicContact CG-CB 3.78Å; V8-A92 HydrophobicContact CG1-CB 4.09Å; I11-A92 HydrophobicContact CD1-CB 3.8Å; A88-A92 WeakPolarHBondContact O-CB 3.3Å; A88-A92 PolarHBondContact O-N 3.46Å; A89-A92 PolarHBondContact O-N 3.1Å; A92-T94 VanDerWaalsContact C-N 3.25Å; A92-T94 PolarHBondContact O-N 3.45Å; A92-G95 PolarHBondContact O-N 2.98Å
93	A	98.5	Very high	98.4	Very high	64 Å²	64	21.3 Å²	21.3	53%	0.529	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.4	177.1	0	0	0	0	0	114.7	A14 A89 I91 G95	A14-A93 HydrophobicContact CB-CB 3.75Å; A89-A93 WeakPolarHBondContact O-CB 3.22Å; A89-A93 PolarHBondContact O-N 3.34Å; I91-A93 PolarHBondContact O-N 3.09Å; A93-G95 VanDerWaalsContact C-N 3.27Å
94	T	98.3	Very high	98.3	Very high	68 Å²	68	21.5 Å²	21.5	42%	0.417	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.2	171.5	71.4	0	0	0	0	112.8	A90 I91 A92	A90-T94 WeakPolarHBondContact O-CG2 3.47Å; I91-T94 PolarHBondContact O-N 3.44Å; I91-T94 PolarHBondContact O-OG1 3.12Å; A92-T94 VanDerWaalsContact C-N 3.25Å; A92-T94 PolarHBondContact O-N 3.45Å
95	G	97.8	Very high	98.3	Very high	64 Å²	64	24.2 Å²	24.2	66%	0.66	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	93	1.2	-174.8	0	0	0	0	0	114.1	A92 A93 P97	A92-G95 PolarHBondContact O-N 2.98Å; A93-G95 VanDerWaalsContact C-N 3.27Å; G95-P97 WeakPolarHBondContact O-CD 3.32Å
96	V	98.6	Very high	98.1	Very high	15 Å²	15	27.6 Å²	27.6	9%	0.091	18%	0.183	C	C	.	.			trans	-73	124.3	169.9	173.4	0	0	0	0	109.4	I63 V67 V73 I91 V98	I63-V96 HydrophobicContact CG2-CG1 3.91Å; I63-V96 HydrophobicContact CG2-CG2 4.34Å; V67-V96 HydrophobicContact CG2-CG2 4.03Å; V73-V96 HydrophobicContact CB-CG1 4.34Å; V73-V96 HydrophobicContact CG1-CG1 4.4Å; I91-V96 HydrophobicContact CG2-CB 3.68Å; I91-V96 HydrophobicContact CG2-CG1 3.74Å; V96-V98 HydrophobicContact CG1-CG2 4.43Å; V96-V98 PolarHBondContact O-N 2.8Å
97	P	98.6	Very high	98	Very high	15 Å²	15	35 Å²	35	10%	0.097	22%	0.217	C	C	.	.			trans	-64.3	117.5	176.5	-25.4	37	0	0	0	112.4	S5 Q74 W75 G95 Y99	S5-P97 VanDerWaalsContact O-CA 3.29Å; S5-P97 WeakPolarHBondContact O-CA 3.32Å; S5-P97 VanDerWaalsContact O-CB 3.24Å; S5-P97 WeakPolarHBondContact O-CB 3.47Å; Q74-P97 WeakPolarHBondContact CA-O 3.14Å; Q74-P97 HydrophobicContact CB-CB 4.3Å; Q74-P97 HydrophobicContact CG-CB 3.97Å; Q74-P97 HydrophobicContact CG-CG 3.97Å; W75-P97 PolarHBondContact N-O 3.12Å; G95-P97 WeakPolarHBondContact O-CD 3.32Å; P97-Y99 HydrophobicContact CB-CE2 3.92Å
98	V	98.8	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	175.2	175.8	0	0	0	0	109.5	Y6 K7 V8 M55 W75 A88 I91 V96 A100	Y6-V98 CarbonylContact C-O 3.56Å; Y6-V98 VanDerWaalsContact CA-O 3.28Å; Y6-V98 WeakPolarHBondContact CA-O 3.31Å; Y6-V98 VanDerWaalsContact CB-O 3.29Å; Y6-V98 WeakPolarHBondContact CB-O 3.11Å; K7-V98 PolarHBondContact N-O 3.23Å; V8-V98 HydrophobicContact CG1-CB 4.44Å; V8-V98 HydrophobicContact CG1-CG1 4.22Å; M55-V98 HydrophobicContact CG-CG1 4.07Å; M55-V98 HydrophobicContact SD-CG1 3.96Å; M55-V98 HydrophobicContact SD-CG2 4.44Å; W75-V98 HydrophobicContact CB-CG2 4.18Å; W75-V98 WeakPolarHBondContact O-CA 3.29Å; A88-V98 HydrophobicContact CB-CG1 4.17Å; I91-V98 HydrophobicContact CB-CG2 3.94Å; I91-V98 HydrophobicContact CG2-CG2 3.3Å; V96-V98 HydrophobicContact CG1-CG2 4.43Å; V96-V98 PolarHBondContact O-N 2.8Å; V98-A100 HydrophobicContact CG1-CB 3.97Å
99	Y	98.8	Very high	98	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	86.5	174.8	-50.7	-83.6	0	0	0	107.2	K3 P4 K7 W75 P97 W111 C112 Q115 T116	K3-Y99 WeakPolarHBondContact CE-OH 3.39Å; P4-Y99 HydrophobicContact CG-CE1 4.08Å; P4-Y99 WeakPolarHBondContact O-CE1 3.15Å; P4-Y99 PolarHBondContact O-OH 2.88Å; K7-Y99 HydrophobicContact CB-CD1 4.05Å; K7-Y99 WeakPolarHBondContact O-CA 3.33Å; W75-Y99 PolarHBondContact O-N 2.87Å; P97-Y99 HydrophobicContact CB-CE2 3.92Å; Y99-W111 AromaticContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CZ3 4.05Å; Y99-C112 VanDerWaalsContact C-SG 3.6Å; Y99-C112 VanDerWaalsContact O-CB 3.29Å; Y99-C112 WeakPolarHBondContact O-CB 3.44Å; Y99-C112 PolarHBondContact O-SG 3.05Å; Y99-C112 VanDerWaalsContact O-SG 3.34Å; Y99-Q115 HydrophobicContact CD1-CB 3.79Å; Y99-Q115 HydrophobicContact CD1-CG 3.83Å; Y99-Q115 HydrophobicContact CD2-CB 3.5Å; Y99-Q115 HydrophobicContact CD2-CG 4.41Å; Y99-Q115 HydrophobicContact CE1-CB 3.85Å; Y99-Q115 HydrophobicContact CE1-CG 4.02Å; Y99-Q115 HydrophobicContact CE2-CB 3.55Å; Y99-Q115 HydrophobicContact CG-CB 3.62Å; Y99-Q115 HydrophobicContact CG-CG 4.05Å; Y99-T116 HydrophobicContact CD2-CG2 3.84Å; Y99-T116 HydrophobicContact CE2-CG2 4.38Å
100	A	98.8	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.			trans	-161.9	136.2	-175.8	0	0	0	0	0	111.6	K7 M55 T83 V98 E104	K7-A100 PolarHBondContact O-N 3.34Å; M55-A100 HydrophobicContact CB-CB 3.79Å; M55-A100 HydrophobicContact CG-CB 3.9Å; T83-A100 HydrophobicContact CG2-CB 4.01Å; V98-A100 HydrophobicContact CG1-CB 3.97Å; A100-E104 WeakPolarHBondContact CA-OE1 3.48Å
101	W	98.7	Very high	97.9	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.098	26%	0.262	C	S	.	.			trans	-148.7	162.3	165.6	55.3	95	0	0	0	111.4	K7 A9 T83 D85 E104 E108 W111 C112	K7-W101 HydrophobicContact CB-CZ3 4.03Å; K7-W101 HydrophobicContact CD-CE3 4.47Å; K7-W101 HydrophobicContact CD-CH2 3.61Å; K7-W101 HydrophobicContact CD-CZ3 3.52Å; K7-W101 HydrophobicContact CG-CE3 4.17Å; K7-W101 HydrophobicContact CG-CH2 4.2Å; K7-W101 HydrophobicContact CG-CZ3 3.6Å; K7-W101 VanDerWaalsContact NZ-CH2 3.31Å; A9-W101 HydrophobicContact CB-CB 3.85Å; T83-W101 VanDerWaalsContact CB-C 3.43Å; T83-W101 PolarHBondContact OG1-O 2.73Å; D85-W101 VanDerWaalsContact OD1-CA 3.26Å; D85-W101 WeakPolarHBondContact OD1-CA 3.28Å; W101-E104 HydrophobicContact CD2-CG 3.83Å; W101-E104 HydrophobicContact CE3-CG 4.47Å; W101-E104 HydrophobicContact CG-CG 4.04Å; W101-E104 HydrophobicContact CH2-CG 4.46Å; W101-E104 HydrophobicContact CZ2-CG 3.89Å; W101-E104 PolarHBondContact N-OE1 2.89Å; W101-E104 WeakPolarHBondContact O-CG 3.23Å; W101-E108 HydrophobicContact CH2-CB 4.12Å; W101-E108 HydrophobicContact CH2-CG 4.4Å; W101-E108 HydrophobicContact CZ2-CB 3.7Å; W101-E108 HydrophobicContact CZ2-CG 3.85Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.38Å; W101-W111 HydrophobicContact CH2-CE3 4.49Å; W101-W111 HydrophobicContact CH2-CZ3 4.38Å; W101-W111 HydrophobicContact CZ3-CZ3 4.45Å; W101-C112 VanDerWaalsContact CZ3-SG 3.51Å
102	K	96.8	Very high	97.9	Very high	73 Å²	73	45.4 Å²	45.4	32%	0.317	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	129.8	174.9	-165.4	175.5	175	89.5	0	109.8	F81 T83 D85 G348	F81-K102 PolarHBondContact O-NZ 3.3Å; T83-K102 WeakPolarHBondContact O-CB 3.44Å; D85-K102 PolarHBondContact OD1-N 2.94Å; K102-G348 PolarHBondContact NZ-O 3.4Å; K102-G348 VanDerWaalsContact NZ-O 3.09Å
103	G	94.8	Very high	97.9	Very high	41 Å²	41	45.2 Å²	45.2	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	34.2	179.4	0	0	0	0	0	114.1	I80	I80-G103 WeakPolarHBondContact O-CA 3.38Å; I80-G103 PolarHBondContact O-N 2.94Å
104	E	97.8	Very high	97.9	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.028	25%	0.251	C	S	.	.			trans	-59.9	146.9	168.8	-74.6	164.2	-156.6	0	0	111.4	I80 A100 W101 E108 Y109	I80-E104 HydrophobicContact CB-CB 4.06Å; I80-E104 WeakPolarHBondContact CB-O 3.48Å; I80-E104 HydrophobicContact CG2-CB 4.03Å; I80-E104 PolarHBondContact O-N 3.2Å; A100-E104 WeakPolarHBondContact CA-OE1 3.48Å; W101-E104 HydrophobicContact CD2-CG 3.83Å; W101-E104 HydrophobicContact CE3-CG 4.47Å; W101-E104 HydrophobicContact CG-CG 4.04Å; W101-E104 HydrophobicContact CH2-CG 4.46Å; W101-E104 HydrophobicContact CZ2-CG 3.89Å; W101-E104 PolarHBondContact N-OE1 2.89Å; W101-E104 WeakPolarHBondContact O-CG 3.23Å; E104-E108 HydrophobicContact CB-CB 4.33Å; E104-E108 HydrophobicContact CG-CB 4.49Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.41Å
105	T	97	Very high	97.9	Very high	77 Å²	77	43.6 Å²	43.6	47%	0.472	24%	0.238	S	C	.	.			trans	-77.6	161.3	160.5	59.7	0	0	0	0	110.5	E107 E108 Y109	T105-E107 PolarHBondContact O-N 3.46Å; T105-E108 PolarHBondContact N-OE2 3.48Å; T105-E108 PolarHBondContact O-N 3.38Å; T105-E108 VanDerWaalsContact O-N 3.08Å; T105-E108 WeakPolarHBondContact OG1-CB 3.22Å; T105-E108 VanDerWaalsContact OG1-CG 3.23Å; T105-E108 WeakPolarHBondContact OG1-CG 3.41Å; T105-E108 PolarHBondContact OG1-N 3.37Å; T105-E108 PolarHBondContact OG1-OE2 2.92Å; T105-Y109 WeakPolarHBondContact O-CB 3.22Å; T105-Y109 PolarHBondContact O-N 3Å
106	D	94.4	Very high	97.9	Very high	111 Å²	111	40.5 Å²	40.5	59%	0.594	21%	0.206	S	C	*	.	H	α-helix	trans	-59.6	-32.9	177.8	-60.3	-29	0	0	0	112.7	M110	D106-M110 WeakPolarHBondContact O-CG 3.25Å; D106-M110 PolarHBondContact O-N 3.45Å
107	E	97.7	Very high	97.9	Very high	168 Å²	168	40 Å²	40	79%	0.785	20%	0.203	S	C	*	.	H	α-helix	trans	-68.2	-43.8	174.9	-173.9	179.8	175.4	0	0	111.3	T105 M110 W111	T105-E107 PolarHBondContact O-N 3.46Å; E107-M110 PolarHBondContact O-N 3.3Å; E107-W111 WeakPolarHBondContact O-CB 3.43Å; E107-W111 PolarHBondContact O-N 2.85Å
108	E	98.5	Very high	97.9	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-39.4	176.5	-73	169.9	132.2	0	0	112.2	K7 W101 E104 T105 W111 C112	K7-E108 IonicContact NZ-OE1 3.26Å; W101-E108 HydrophobicContact CH2-CB 4.12Å; W101-E108 HydrophobicContact CH2-CG 4.4Å; W101-E108 HydrophobicContact CZ2-CB 3.7Å; W101-E108 HydrophobicContact CZ2-CG 3.85Å; W101-E108 WeakPolarHBondContact CZ2-OE1 3.38Å; E104-E108 HydrophobicContact CB-CB 4.33Å; E104-E108 HydrophobicContact CG-CB 4.49Å; T105-E108 PolarHBondContact N-OE2 3.48Å; T105-E108 PolarHBondContact O-N 3.38Å; T105-E108 VanDerWaalsContact O-N 3.08Å; T105-E108 WeakPolarHBondContact OG1-CB 3.22Å; T105-E108 VanDerWaalsContact OG1-CG 3.23Å; T105-E108 WeakPolarHBondContact OG1-CG 3.41Å; T105-E108 PolarHBondContact OG1-N 3.37Å; T105-E108 PolarHBondContact OG1-OE2 2.92Å; E108-W111 WeakPolarHBondContact O-CB 3.27Å; E108-W111 PolarHBondContact O-N 3.19Å; E108-C112 WeakPolarHBondContact O-CB 3.5Å; E108-C112 PolarHBondContact O-N 3.43Å; E108-C112 PolarHBondContact O-SG 2.91Å
109	Y	98	Very high	97.8	Very high	20 Å²	20	41.9 Å²	41.9	8%	0.078	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-53.8	174.8	174.6	-108.2	0	0	0	111.6	S77 C78 I80 E104 T105 W111 C112 I113 D134	S77-Y109 VanDerWaalsContact O-CE2 3.24Å; S77-Y109 WeakPolarHBondContact O-CE2 3.28Å; C78-Y109 WeakPolarHBondContact CA-OH 3.44Å; C78-Y109 PolarHBondContact O-OH 3.32Å; I80-Y109 HydrophobicContact CG2-CD2 4.06Å; I80-Y109 HydrophobicContact CG2-CG 4.04Å; E104-Y109 WeakPolarHBondContact OE2-CA 3.41Å; T105-Y109 WeakPolarHBondContact O-CB 3.22Å; T105-Y109 PolarHBondContact O-N 3Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 3.33Å; Y109-C112 WeakPolarHBondContact O-CB 3.26Å; Y109-C112 PolarHBondContact O-N 3.06Å; Y109-I113 HydrophobicContact CD1-CD1 4.38Å; Y109-I113 HydrophobicContact CE1-CD1 3.79Å; Y109-I113 HydrophobicContact CE2-CD1 4.26Å; Y109-I113 PolarHBondContact O-N 2.84Å; Y109-D134 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D134 PolarHBondContact OH-OD2 3.01Å
110	M	98.1	Very high	97.6	Very high	63 Å²	63	47 Å²	47	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-38.9	177.8	-68.4	-53.5	-53.6	0	0	112	D106 E107 C112 I113 E114 L138	D106-M110 WeakPolarHBondContact O-CG 3.25Å; D106-M110 PolarHBondContact O-N 3.45Å; E107-M110 PolarHBondContact O-N 3.3Å; M110-C112 VanDerWaalsContact C-N 3.31Å; M110-C112 PolarHBondContact O-N 2.94Å; M110-I113 PolarHBondContact O-N 2.9Å; M110-I113 HydrophobicContact SD-CD1 4.36Å; M110-E114 WeakPolarHBondContact O-CG 3.32Å; M110-E114 PolarHBondContact O-N 2.96Å; M110-E114 VanDerWaalsContact O-N 3.07Å; M110-L138 HydrophobicContact CE-CD1 3.85Å
111	W	98.2	Very high	97.3	Very high	78 Å²	78	51.2 Å²	51.2	30%	0.295	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-41	175.3	175.4	89.2	0	0	0	112	P4 K7 Y99 W101 E107 E108 Y109 E114 Q115	P4-W111 HydrophobicContact CG-CH2 3.94Å; P4-W111 HydrophobicContact CG-CZ2 4.08Å; K7-W111 HydrophobicContact CB-CH2 4.09Å; K7-W111 HydrophobicContact CB-CZ3 4.08Å; K7-W111 HydrophobicContact CD-CH2 3.66Å; K7-W111 HydrophobicContact CD-CZ3 3.55Å; K7-W111 HydrophobicContact CG-CZ3 4.43Å; Y99-W111 AromaticContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CH2 3.99Å; Y99-W111 HydrophobicContact CD1-CZ3 4.05Å; W101-W111 HydrophobicContact CH2-CE3 4.49Å; W101-W111 HydrophobicContact CH2-CZ3 4.38Å; W101-W111 HydrophobicContact CZ3-CZ3 4.45Å; E107-W111 WeakPolarHBondContact O-CB 3.43Å; E107-W111 PolarHBondContact O-N 2.85Å; E108-W111 WeakPolarHBondContact O-CB 3.27Å; E108-W111 PolarHBondContact O-N 3.19Å; Y109-W111 VanDerWaalsContact C-N 3.32Å; Y109-W111 PolarHBondContact O-N 3.33Å; W111-E114 PolarHBondContact O-N 3.02Å; W111-Q115 HydrophobicContact CD2-CG 3.93Å; W111-Q115 HydrophobicContact CE3-CG 3.99Å; W111-Q115 HydrophobicContact CH2-CG 3.62Å; W111-Q115 HydrophobicContact CZ2-CG 3.55Å; W111-Q115 HydrophobicContact CZ3-CG 3.83Å; W111-Q115 VanDerWaalsContact O-CG 3.3Å; W111-Q115 WeakPolarHBondContact O-CG 3.45Å; W111-Q115 PolarHBondContact O-N 3.46Å; W111-Q115 PolarHBondContact O-NE2 3.07Å; W111-Q115 VanDerWaalsContact O-NE2 3.14Å
112	C	98.8	Very high	97.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-48.1	177.4	-78.6	0	0	0	0	111.4	Y99 W101 E108 Y109 M110 E114 Q115	Y99-C112 VanDerWaalsContact C-SG 3.6Å; Y99-C112 VanDerWaalsContact O-CB 3.29Å; Y99-C112 WeakPolarHBondContact O-CB 3.44Å; Y99-C112 PolarHBondContact O-SG 3.05Å; Y99-C112 VanDerWaalsContact O-SG 3.34Å; W101-C112 VanDerWaalsContact CZ3-SG 3.51Å; E108-C112 WeakPolarHBondContact O-CB 3.5Å; E108-C112 PolarHBondContact O-N 3.43Å; E108-C112 PolarHBondContact O-SG 2.91Å; Y109-C112 WeakPolarHBondContact O-CB 3.26Å; Y109-C112 PolarHBondContact O-N 3.06Å; M110-C112 VanDerWaalsContact C-N 3.31Å; M110-C112 PolarHBondContact O-N 2.94Å; C112-E114 PolarHBondContact O-N 3.43Å; C112-Q115 PolarHBondContact O-N 3.13Å
113	I	98.6	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-46.1	177.1	-54.8	173.6	0	0	0	110	Y109 M110 Q115 T116 D134 L135 L138	Y109-I113 HydrophobicContact CD1-CD1 4.38Å; Y109-I113 HydrophobicContact CE1-CD1 3.79Å; Y109-I113 HydrophobicContact CE2-CD1 4.26Å; Y109-I113 PolarHBondContact O-N 2.84Å; M110-I113 PolarHBondContact O-N 2.9Å; M110-I113 HydrophobicContact SD-CD1 4.36Å; I113-Q115 VanDerWaalsContact C-N 3.26Å; I113-Q115 PolarHBondContact O-N 3.17Å; I113-T116 PolarHBondContact O-N 2.83Å; I113-T116 PolarHBondContact O-OG1 3.39Å; I113-D134 HydrophobicContact CD1-CB 4.14Å; I113-L135 HydrophobicContact CG2-CB 4.2Å; I113-L135 HydrophobicContact CG2-CD1 3.87Å; I113-L138 HydrophobicContact CB-CD2 4.08Å; I113-L138 HydrophobicContact CG2-CD2 3.5Å; I113-L138 VanDerWaalsContact CG2-CD2 3.5Å
114	E	98.1	Very high	97.4	Very high	68 Å²	68	52.3 Å²	52.3	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-33.6	178.9	-74	-176.5	178.8	0	0	113.1	M110 W111 C112 T116 L117 L138 F143	M110-E114 WeakPolarHBondContact O-CG 3.32Å; M110-E114 PolarHBondContact O-N 2.96Å; M110-E114 VanDerWaalsContact O-N 3.07Å; W111-E114 PolarHBondContact O-N 3.02Å; C112-E114 PolarHBondContact O-N 3.43Å; E114-T116 PolarHBondContact O-N 2.68Å; E114-L117 PolarHBondContact O-N 3.01Å; E114-L138 HydrophobicContact CG-CD1 4.5Å; E114-L138 HydrophobicContact CG-CD2 3.91Å; E114-F143 HydrophobicContact CG-CE2 4.24Å; E114-F143 HydrophobicContact CG-CZ 4.36Å
115	Q	98.2	Very high	97.4	Very high	30 Å²	30	52 Å²	52	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-23	177.1	-64.6	-33.8	-75.6	0	0	112.7	K3 Y99 W111 C112 I113	K3-Q115 WeakPolarHBondContact CE-O 3.47Å; K3-Q115 PolarHBondContact NZ-O 3.41Å; Y99-Q115 HydrophobicContact CD1-CB 3.79Å; Y99-Q115 HydrophobicContact CD1-CG 3.83Å; Y99-Q115 HydrophobicContact CD2-CB 3.5Å; Y99-Q115 HydrophobicContact CD2-CG 4.41Å; Y99-Q115 HydrophobicContact CE1-CB 3.85Å; Y99-Q115 HydrophobicContact CE1-CG 4.02Å; Y99-Q115 HydrophobicContact CE2-CB 3.55Å; Y99-Q115 HydrophobicContact CG-CB 3.62Å; Y99-Q115 HydrophobicContact CG-CG 4.05Å; W111-Q115 HydrophobicContact CD2-CG 3.93Å; W111-Q115 HydrophobicContact CE3-CG 3.99Å; W111-Q115 HydrophobicContact CH2-CG 3.62Å; W111-Q115 HydrophobicContact CZ2-CG 3.55Å; W111-Q115 HydrophobicContact CZ3-CG 3.83Å; W111-Q115 VanDerWaalsContact O-CG 3.3Å; W111-Q115 WeakPolarHBondContact O-CG 3.45Å; W111-Q115 PolarHBondContact O-N 3.46Å; W111-Q115 PolarHBondContact O-NE2 3.07Å; W111-Q115 VanDerWaalsContact O-NE2 3.14Å; C112-Q115 PolarHBondContact O-N 3.13Å; I113-Q115 VanDerWaalsContact C-N 3.26Å; I113-Q115 PolarHBondContact O-N 3.17Å
116	T	98.6	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.3	-173.5	67.9	0	0	0	0	114.3	T50 Q74 W75 Y99 I113 E114	T50-T116 VanDerWaalsContact CG2-CB 3.45Å; T50-T116 WeakPolarHBondContact CG2-OG1 3.5Å; T50-T116 PolarHBondContact OG1-O 3.44Å; Q74-T116 HydrophobicContact CB-CG2 4.37Å; Q74-T116 VanDerWaalsContact NE2-C 3.26Å; Q74-T116 PolarHBondContact NE2-O 2.9Å; W75-T116 VanDerWaalsContact C-CG2 3.48Å; W75-T116 WeakPolarHBondContact O-CG2 3.16Å; Y99-T116 HydrophobicContact CD2-CG2 3.84Å; Y99-T116 HydrophobicContact CE2-CG2 4.38Å; I113-T116 PolarHBondContact O-N 2.83Å; I113-T116 PolarHBondContact O-OG1 3.39Å; E114-T116 PolarHBondContact O-N 2.68Å
117	L	98.3	Very high	97.7	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-76.4	-31.5	-171.6	-59.4	-178.9	0	0	0	114.6	E114 P124 L125 L135 L138 V139 F143 Y146	E114-L117 PolarHBondContact O-N 3.01Å; L117-P124 WeakPolarHBondContact O-CA 3.35Å; L117-L125 HydrophobicContact CB-CD2 4.5Å; L117-L125 HydrophobicContact CD2-CD1 4.28Å; L117-L125 HydrophobicContact CD2-CD2 4.39Å; L117-L125 WeakPolarHBondContact O-CD2 3.35Å; L117-L125 PolarHBondContact O-N 3.49Å; L117-L135 HydrophobicContact CD2-CD1 3.72Å; L117-L138 HydrophobicContact CD1-CD2 4.33Å; L117-V139 HydrophobicContact CD2-CG2 3.81Å; L117-F143 HydrophobicContact CD1-CD1 4.3Å; L117-F143 HydrophobicContact CD1-CD2 3.48Å; L117-F143 VanDerWaalsContact CD1-CD2 3.48Å; L117-F143 HydrophobicContact CD1-CE1 4.37Å; L117-F143 HydrophobicContact CD1-CE2 3.54Å; L117-F143 HydrophobicContact CD1-CG 3.89Å; L117-F143 HydrophobicContact CD1-CZ 4.01Å; L117-Y146 HydrophobicContact CB-CE2 4.11Å; L117-Y146 HydrophobicContact CD1-CE2 4.31Å
118	V	97.9	Very high	97.8	Very high	48 Å²	48	35.4 Å²	35.4	29%	0.291	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-118.7	127.8	-177.5	-177.5	0	0	0	0	109.6	K3 Q74	K3-V118 PolarHBondContact NZ-O 2.92Å; Q74-V118 PolarHBondContact NE2-O 3Å; Q74-V118 PolarHBondContact OE1-O 2.94Å
119	F	97.7	Very high	97.8	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.026	18%	0.18	C	C	.	.			trans	-80.6	164.5	-177.4	-79.7	-111.9	0	0	0	111.5	R48 Q72 Q74 D121 G122 Q123 L125	R48-F119 HydrophobicContact CB-CD1 4.09Å; R48-F119 HydrophobicContact CB-CD2 3.82Å; R48-F119 HydrophobicContact CB-CE1 3.84Å; R48-F119 HydrophobicContact CB-CE2 3.59Å; R48-F119 HydrophobicContact CB-CG 4.09Å; R48-F119 HydrophobicContact CB-CZ 3.6Å; R48-F119 HydrophobicContact CG-CD1 3.92Å; R48-F119 HydrophobicContact CG-CD2 4.22Å; R48-F119 HydrophobicContact CG-CE1 4.09Å; R48-F119 HydrophobicContact CG-CE2 4.4Å; R48-F119 HydrophobicContact CG-CG 4Å; R48-F119 HydrophobicContact CG-CZ 4.34Å; Q72-F119 HydrophobicContact CB-CD1 3.76Å; Q72-F119 HydrophobicContact CB-CE1 3.58Å; Q72-F119 WeakPolarHBondContact O-CE1 3.35Å; Q74-F119 HydrophobicContact CB-CZ 4.31Å; Q74-F119 HydrophobicContact CG-CD1 4.01Å; Q74-F119 HydrophobicContact CG-CE1 3.72Å; Q74-F119 HydrophobicContact CG-CE2 4.23Å; Q74-F119 HydrophobicContact CG-CG 4.39Å; Q74-F119 HydrophobicContact CG-CZ 3.83Å; F119-D121 WeakPolarHBondContact CB-OD1 3.37Å; F119-D121 PolarHBondContact O-N 3.46Å; F119-D121 VanDerWaalsContact O-N 3.09Å; F119-G122 WeakPolarHBondContact O-CA 3.4Å; F119-G122 PolarHBondContact O-N 3.01Å; F119-Q123 WeakPolarHBondContact CB-O 3.29Å; F119-Q123 PolarHBondContact N-O 3.31Å; F119-L125 HydrophobicContact CE2-CB 4.11Å
120	P	94.1	Very high	97.8	Very high	109 Å²	109	31.7 Å²	31.7	71%	0.708	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.2	-176	-26.8	36.9	0	0	0	114.9	G122	P120-G122 PolarHBondContact O-N 3.07Å
121	D	93.9	Very high	97.8	Very high	88 Å²	88	29.2 Å²	29.2	47%	0.471	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.1	174.2	67.7	-6.9	0	0	0	113.7	F119 Q123	F119-D121 WeakPolarHBondContact CB-OD1 3.37Å; F119-D121 PolarHBondContact O-N 3.46Å; F119-D121 VanDerWaalsContact O-N 3.09Å; D121-Q123 VanDerWaalsContact C-N 3.26Å; D121-Q123 PolarHBondContact O-N 3.16Å; D121-Q123 VanDerWaalsContact OD1-CB 3.3Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.32Å; D121-Q123 PolarHBondContact OD1-N 3.26Å
122	G	95.7	Very high	97.5	Very high	50 Å²	50	25.6 Å²	25.6	52%	0.515	15%	0.152	S	C	.	.	S	Bend	trans	79.9	-0.5	-177.5	0	0	0	0	0	114.4	F119 P120	F119-G122 WeakPolarHBondContact O-CA 3.4Å; F119-G122 PolarHBondContact O-N 3.01Å; P120-G122 PolarHBondContact O-N 3.07Å
123	Q	97.4	Very high	97.4	Very high	95 Å²	95	25.6 Å²	25.6	44%	0.444	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-82.4	140.3	177.8	-61.4	-61.5	-47.3	0	0	111	F119 D121	F119-Q123 WeakPolarHBondContact CB-O 3.29Å; F119-Q123 PolarHBondContact N-O 3.31Å; D121-Q123 VanDerWaalsContact C-N 3.26Å; D121-Q123 PolarHBondContact O-N 3.16Å; D121-Q123 VanDerWaalsContact OD1-CB 3.3Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.32Å; D121-Q123 PolarHBondContact OD1-N 3.26Å
124	P	97.8	Very high	97.3	Very high	18 Å²	18	27.8 Å²	27.8	12%	0.117	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-71.8	160.4	174.8	31.7	-35.2	0	0	0	111.1	R48 L117 Y146	R48-P124 PolarHBondContact NE-O 2.98Å; R48-P124 PolarHBondContact NH2-O 2.89Å; L117-P124 WeakPolarHBondContact O-CA 3.35Å; P124-Y146 HydrophobicContact CB-CD1 3.48Å; P124-Y146 VanDerWaalsContact CB-CD1 3.48Å; P124-Y146 HydrophobicContact CB-CE1 3.71Å; P124-Y146 HydrophobicContact CB-CG 3.97Å; P124-Y146 HydrophobicContact CG-CD1 4.05Å; P124-Y146 HydrophobicContact CG-CE1 4.37Å
125	L	98.6	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-47.2	149.1	167.7	78.4	171.4	0	0	0	112.3	T50 L117 F119 I128 V139 Y146 I150	T50-L125 HydrophobicContact CG2-CD1 4.24Å; T50-L125 WeakPolarHBondContact OG1-CB 3.16Å; L117-L125 HydrophobicContact CB-CD2 4.5Å; L117-L125 HydrophobicContact CD2-CD1 4.28Å; L117-L125 HydrophobicContact CD2-CD2 4.39Å; L117-L125 WeakPolarHBondContact O-CD2 3.35Å; L117-L125 PolarHBondContact O-N 3.49Å; F119-L125 HydrophobicContact CE2-CB 4.11Å; L125-I128 HydrophobicContact CD1-CD1 4.26Å; L125-I128 HydrophobicContact CD1-CG1 3.69Å; L125-V139 HydrophobicContact CD1-CG2 4.29Å; L125-Y146 HydrophobicContact CD2-CD2 3.91Å; L125-Y146 HydrophobicContact CD2-CG 4.11Å; L125-I150 HydrophobicContact CD1-CD1 4.21Å; L125-I150 HydrophobicContact CD2-CD1 4.21Å; L125-I150 HydrophobicContact CG-CD1 3.98Å; L125-I150 HydrophobicContact CG-CG1 4.16Å
126	N	98.7	Very high	97.4	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.043	14%	0.141	C	C	.	.	S	Bend	trans	-131.7	4.2	174.7	65.1	18.2	0	0	0	113.2	G46 A47 R48 N149 I150 K151 W373	G46-N126 PolarHBondContact O-ND2 3.23Å; A47-N126 WeakPolarHBondContact CA-OD1 3.16Å; R48-N126 PolarHBondContact N-OD1 2.73Å; R48-N126 PolarHBondContact NH1-ND2 2.99Å; R48-N126 PolarHBondContact NH2-ND2 2.96Å; R48-N126 PolarHBondContact O-N 2.81Å; R48-N126 PolarHBondContact O-OD1 2.86Å; N126-N149 VanDerWaalsContact CB-O 3.25Å; N126-N149 WeakPolarHBondContact CB-O 3.27Å; N126-I150 CarbonylContact O-C 3.52Å; N126-I150 WeakPolarHBondContact O-CA 3.35Å; N126-K151 PolarHBondContact O-N 3.15Å; N126-W373 HydrophobicContact CB-CZ3 4.26Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.46Å; N126-W373 WeakPolarHBondContact OD1-CZ3 3.41Å
127	M	98.9	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.5	173.9	-73.8	-60	-64.9	0	0	108.5	A47 R48 I49 T50 K151 L372 W373	A47-M127 HydrophobicContact CB-CG 4.33Å; R48-M127 PolarHBondContact O-N 3.27Å; I49-M127 HydrophobicContact CB-CB 4.4Å; I49-M127 HydrophobicContact CG1-CB 3.83Å; I49-M127 HydrophobicContact CG1-CG 4.43Å; T50-M127 PolarHBondContact N-O 2.93Å; T50-M127 VanDerWaalsContact N-O 3.08Å; M127-K151 HydrophobicContact SD-CB 3.78Å; M127-L372 HydrophobicContact CE-CB 3.73Å; M127-L372 HydrophobicContact CE-CD1 4.28Å; M127-W373 HydrophobicContact CG-CE3 3.64Å; M127-W373 HydrophobicContact CG-CZ3 4.18Å; M127-W373 HydrophobicContact SD-CB 4.46Å; M127-W373 HydrophobicContact SD-CE3 3.84Å
128	I	98.9	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.1	174.3	-72.8	169.7	0	0	0	108.5	L125 D130 L135 V139 I150 G152 L153 S154 Q369	L125-I128 HydrophobicContact CD1-CD1 4.26Å; L125-I128 HydrophobicContact CD1-CG1 3.69Å; I128-D130 HydrophobicContact CG2-CB 3.89Å; I128-L135 HydrophobicContact CB-CD2 4.46Å; I128-L135 HydrophobicContact CG1-CD2 4.31Å; I128-L135 HydrophobicContact CG1-CG 4.37Å; I128-L135 HydrophobicContact CG2-CD2 3.8Å; I128-L135 HydrophobicContact CG2-CG 4.12Å; I128-V139 HydrophobicContact CD1-CB 4.39Å; I128-V139 HydrophobicContact CD1-CG2 4.23Å; I128-I150 HydrophobicContact CD1-CD1 3.96Å; I128-I150 HydrophobicContact CD1-CG2 4.49Å; I128-I150 HydrophobicContact CG1-CD1 4.44Å; I128-G152 PolarHBondContact N-O 2.87Å; I128-L153 HydrophobicContact CB-CB 3.62Å; I128-L153 HydrophobicContact CG2-CB 3.75Å; I128-L153 VanDerWaalsContact O-CA 3.31Å; I128-L153 WeakPolarHBondContact O-CA 3.44Å; I128-S154 PolarHBondContact O-N 3.24Å; I128-S154 VanDerWaalsContact O-N 3.09Å; I128-Q369 PolarHBondContact O-NE2 3.2Å
129	L	98.9	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.5	165.7	-173.5	160.8	0	0	0	106.8	I49 T50 G51 C52 L53 L62 L66 W75 Q365 Q369	I49-L129 HydrophobicContact CG2-CB 4Å; T50-L129 PolarHBondContact O-N 3.04Å; G51-L129 VanDerWaalsContact CA-O 3.31Å; G51-L129 WeakPolarHBondContact CA-O 3.28Å; C52-L129 PolarHBondContact N-O 3.29Å; L53-L129 HydrophobicContact CB-CD2 4.42Å; L53-L129 HydrophobicContact CD1-CD2 3.72Å; L62-L129 HydrophobicContact CD2-CD1 4.18Å; L62-L129 HydrophobicContact CD2-CD2 4.43Å; L66-L129 HydrophobicContact CD1-CD1 3.96Å; W75-L129 HydrophobicContact CH2-CD1 4Å; W75-L129 HydrophobicContact CH2-CD2 3.86Å; W75-L129 HydrophobicContact CH2-CG 4.42Å; W75-L129 HydrophobicContact CZ2-CD2 4.07Å; L129-Q365 HydrophobicContact CD1-CB 4.08Å; L129-Q365 HydrophobicContact CD1-CG 4.46Å; L129-Q369 HydrophobicContact CD1-CG 4.16Å
130	D	98.6	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.6	-165.4	-145.7	-9.4	0	0	0	111.6	I128 G133 T136 S154 E155 E156	I128-D130 HydrophobicContact CG2-CB 3.89Å; D130-G133 VanDerWaalsContact OD2-CA 3.28Å; D130-G133 WeakPolarHBondContact OD2-CA 3.4Å; D130-T136 WeakPolarHBondContact OD2-CB 3.44Å; D130-T136 PolarHBondContact OD2-N 3.47Å; D130-T136 PolarHBondContact OD2-OG1 3.31Å; D130-S154 PolarHBondContact N-O 3.01Å; D130-E155 WeakPolarHBondContact CB-OE2 3.16Å; D130-E155 WeakPolarHBondContact O-CA 3.25Å; D130-E156 PolarHBondContact O-N 3.48Å
131	D	97.2	Very high	97.6	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.053	13%	0.133	C	C	.	.	S	Bend	trans	-139	99	174.9	-178	-48.4	0	0	0	107.1	C52 L53 C78 T157 H301	C52-D131 PolarHBondContact O-N 3.27Å; L53-D131 HydrophobicContact CB-CB 4.04Å; L53-D131 HydrophobicContact CD1-CB 3.91Å; L53-D131 HydrophobicContact CG-CB 3.64Å; C78-D131 WeakPolarHBondContact CB-O 3.45Å; D131-T157 HydrophobicContact CB-CG2 4.31Å; D131-T157 VanDerWaalsContact CG-CG2 3.42Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.27Å; D131-H301 IonicContact OD1-CE1 2.9Å; D131-H301 PolarHBondContact OD1-CE1 3.28Å; D131-H301 IonicContact OD1-ND1 3.62Å
132	G	92.9	Very high	97.8	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	108.8	-24.3	-179.5	0	0	0	0	0	114.1	E155 T157 G160 H301	G132-E155 PolarHBondContact N-OE1 3.09Å; G132-E155 PolarHBondContact N-OE2 3.18Å; G132-T157 WeakPolarHBondContact CA-OG1 3.37Å; G132-T157 PolarHBondContact N-OG1 3.1Å; G132-T157 VanDerWaalsContact N-OG1 3.17Å; G132-G160 WeakPolarHBondContact O-CA 3.34Å; G132-H301 VanDerWaalsContact CA-CE1 3.49Å; G132-H301 WeakPolarHBondContact CA-CE1 3.39Å; G132-H301 WeakPolarHBondContact CA-NE2 3.29Å
133	G	96.7	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	94.1	8	174.3	0	0	0	0	0	115.2	D130 T136 N137 E155	D130-G133 VanDerWaalsContact OD2-CA 3.28Å; D130-G133 WeakPolarHBondContact OD2-CA 3.4Å; G133-T136 WeakPolarHBondContact O-CB 3.22Å; G133-T136 PolarHBondContact O-N 3.02Å; G133-N137 WeakPolarHBondContact O-CB 3.31Å; G133-N137 PolarHBondContact O-N 3.47Å; G133-N137 PolarHBondContact O-ND2 2.92Å; G133-N137 VanDerWaalsContact O-ND2 3.13Å; G133-E155 WeakPolarHBondContact CA-OE2 3.42Å; G133-E155 PolarHBondContact N-OE2 2.86Å; G133-E155 VanDerWaalsContact N-OE2 3.1Å
134	D	97.1	Very high	98	Very high	46 Å²	46	23.8 Å²	23.8	25%	0.246	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-43.6	-176.4	-81.2	-7.6	0	0	0	112.4	Y109 I113 T136 N137 L138	Y109-D134 WeakPolarHBondContact CE1-OD2 3.43Å; Y109-D134 PolarHBondContact OH-OD2 3.01Å; I113-D134 HydrophobicContact CD1-CB 4.14Å; D134-T136 VanDerWaalsContact C-N 3.34Å; D134-N137 PolarHBondContact O-N 3.43Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.38Å; D134-L138 PolarHBondContact O-N 3.39Å
135	L	98.6	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-42.5	175.1	168.4	62.7	0	0	0	110.9	T50 C52 I113 L117 I128 L138 V139	T50-L135 HydrophobicContact CG2-CD1 3.8Å; T50-L135 HydrophobicContact CG2-CD2 3.61Å; T50-L135 HydrophobicContact CG2-CG 4.37Å; T50-L135 WeakPolarHBondContact O-CD2 3.31Å; C52-L135 HydrophobicContact CB-CB 3.57Å; C52-L135 HydrophobicContact CB-CD2 3.94Å; C52-L135 HydrophobicContact CB-CG 4.4Å; I113-L135 HydrophobicContact CG2-CB 4.2Å; I113-L135 HydrophobicContact CG2-CD1 3.87Å; L117-L135 HydrophobicContact CD2-CD1 3.72Å; I128-L135 HydrophobicContact CB-CD2 4.46Å; I128-L135 HydrophobicContact CG1-CD2 4.31Å; I128-L135 HydrophobicContact CG1-CG 4.37Å; I128-L135 HydrophobicContact CG2-CD2 3.8Å; I128-L135 HydrophobicContact CG2-CG 4.12Å; L135-L138 PolarHBondContact O-N 3.21Å; L135-V139 HydrophobicContact CD1-CG2 4.03Å; L135-V139 WeakPolarHBondContact O-CG2 3.48Å; L135-V139 PolarHBondContact O-N 3.33Å
136	T	98.7	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-49.6	175.4	-64.8	0	0	0	0	110.9	D130 G133 D134 V139 H140 L153 L164 M167	D130-T136 WeakPolarHBondContact OD2-CB 3.44Å; D130-T136 PolarHBondContact OD2-N 3.47Å; D130-T136 PolarHBondContact OD2-OG1 3.31Å; G133-T136 WeakPolarHBondContact O-CB 3.22Å; G133-T136 PolarHBondContact O-N 3.02Å; D134-T136 VanDerWaalsContact C-N 3.34Å; T136-V139 PolarHBondContact O-N 3.2Å; T136-H140 PolarHBondContact O-N 2.97Å; T136-H140 PolarHBondContact O-ND1 3.41Å; T136-L153 HydrophobicContact CG2-CD2 3.69Å; T136-L164 HydrophobicContact CG2-CD2 3.94Å; T136-M167 HydrophobicContact CG2-CE 4.28Å; T136-M167 HydrophobicContact CG2-SD 4.29Å
137	N	98.3	Very high	97.9	Very high	38 Å²	38	31.4 Å²	31.4	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-47.8	178.5	-72.8	-30.4	0	0	0	111.3	G133 D134 V139 H140 E141 N163	G133-N137 WeakPolarHBondContact O-CB 3.31Å; G133-N137 PolarHBondContact O-N 3.47Å; G133-N137 PolarHBondContact O-ND2 2.92Å; G133-N137 VanDerWaalsContact O-ND2 3.13Å; D134-N137 PolarHBondContact O-N 3.43Å; N137-V139 VanDerWaalsContact C-N 3.31Å; N137-V139 PolarHBondContact O-N 3.35Å; N137-H140 PolarHBondContact O-N 3.41Å; N137-E141 WeakPolarHBondContact O-CB 3.39Å; N137-E141 VanDerWaalsContact O-CG 3.31Å; N137-E141 WeakPolarHBondContact O-CG 3.32Å; N137-E141 PolarHBondContact O-N 2.68Å; N137-N163 PolarHBondContact ND2-ND2 2.89Å; N137-N163 PolarHBondContact OD1-ND2 2.87Å
138	L	98.4	Very high	97.8	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-55.2	-46.5	178.6	-177.6	68.8	0	0	0	111.7	M110 I113 E114 L117 D134 L135 K142 F143	M110-L138 HydrophobicContact CE-CD1 3.85Å; I113-L138 HydrophobicContact CB-CD2 4.08Å; I113-L138 HydrophobicContact CG2-CD2 3.5Å; I113-L138 VanDerWaalsContact CG2-CD2 3.5Å; E114-L138 HydrophobicContact CG-CD1 4.5Å; E114-L138 HydrophobicContact CG-CD2 3.91Å; L117-L138 HydrophobicContact CD1-CD2 4.33Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.38Å; D134-L138 PolarHBondContact O-N 3.39Å; L135-L138 PolarHBondContact O-N 3.21Å; L138-K142 HydrophobicContact CD1-CB 4.25Å; L138-K142 HydrophobicContact CD1-CD 3.74Å; L138-K142 HydrophobicContact CD1-CG 4.17Å; L138-K142 WeakPolarHBondContact O-CB 3.2Å; L138-K142 PolarHBondContact O-N 2.88Å; L138-F143 HydrophobicContact CD1-CD2 4.41Å; L138-F143 HydrophobicContact CD1-CE2 3.99Å; L138-F143 HydrophobicContact CD2-CE2 4.35Å; L138-F143 HydrophobicContact CG-CD2 4.07Å; L138-F143 HydrophobicContact CG-CE2 3.98Å; L138-F143 PolarHBondContact O-N 3.12Å
139	V	98.6	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-42.8	179.4	174.6	0	0	0	0	111.4	L117 L125 I128 L135 T136 N137 E141 F143 P144 L147 I150	L117-V139 HydrophobicContact CD2-CG2 3.81Å; L125-V139 HydrophobicContact CD1-CG2 4.29Å; I128-V139 HydrophobicContact CD1-CB 4.39Å; I128-V139 HydrophobicContact CD1-CG2 4.23Å; L135-V139 HydrophobicContact CD1-CG2 4.03Å; L135-V139 WeakPolarHBondContact O-CG2 3.48Å; L135-V139 PolarHBondContact O-N 3.33Å; T136-V139 PolarHBondContact O-N 3.2Å; N137-V139 VanDerWaalsContact C-N 3.31Å; N137-V139 PolarHBondContact O-N 3.35Å; V139-E141 PolarHBondContact O-N 2.74Å; V139-F143 CarbonylContact O-C 3.49Å; V139-F143 WeakPolarHBondContact O-CA 3.39Å; V139-F143 PolarHBondContact O-N 3.39Å; V139-P144 WeakPolarHBondContact O-CA 3.5Å; V139-P144 VanDerWaalsContact O-N 3.1Å; V139-L147 HydrophobicContact CG1-CD2 3.75Å; V139-L147 HydrophobicContact CG1-CG 4.22Å; V139-I150 HydrophobicContact CG1-CD1 3.75Å
140	H	98.5	Very high	97.7	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.093	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-32.9	-179.7	-76.1	79.2	0	0	0	113.2	T136 N137 M167 R172 G174	T136-H140 PolarHBondContact O-N 2.97Å; T136-H140 PolarHBondContact O-ND1 3.41Å; N137-H140 PolarHBondContact O-N 3.41Å; H140-M167 HydrophobicContact CB-CE 3.79Å; H140-M167 VanDerWaalsContact CG-CE 3.4Å; H140-R172 PolarHBondContact CD2-O 3.1Å; H140-G174 PolarHBondContact CD2-N 3.39Å; H140-G174 PolarHBondContact NE2-N 3.13Å
141	E	97.9	Very high	97.7	Very high	115 Å²	115	48.4 Å²	48.4	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-95.7	-44.6	-172.6	-63.7	-171.1	158	0	0	113.3	N137 V139 R172	N137-E141 WeakPolarHBondContact O-CB 3.39Å; N137-E141 VanDerWaalsContact O-CG 3.31Å; N137-E141 WeakPolarHBondContact O-CG 3.32Å; N137-E141 PolarHBondContact O-N 2.68Å; V139-E141 PolarHBondContact O-N 2.74Å; E141-R172 IonicContact OE1-CZ 3.01Å; E141-R172 IonicContact OE1-NH2 2.98Å; E141-R172 PolarHBondContact OE1-NH2 3.2Å
142	K	98.2	Very high	97.7	Very high	123 Å²	123	48 Å²	48	54%	0.535	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-27.8	-175.2	-63.2	-164.2	-170.1	172.2	0	113.9	L138	L138-K142 HydrophobicContact CD1-CB 4.25Å; L138-K142 HydrophobicContact CD1-CD 3.74Å; L138-K142 HydrophobicContact CD1-CG 4.17Å; L138-K142 WeakPolarHBondContact O-CB 3.2Å; L138-K142 PolarHBondContact O-N 2.88Å
143	F	98.2	Very high	98	Very high	42 Å²	42	47.8 Å²	47.8	18%	0.184	23%	0.227	C	C	.	.			trans	-126.1	46.2	-176.8	-53.6	-84.9	0	0	0	114.1	E114 L117 L138 V139 Q145 Y146	E114-F143 HydrophobicContact CG-CE2 4.24Å; E114-F143 HydrophobicContact CG-CZ 4.36Å; L117-F143 HydrophobicContact CD1-CD1 4.3Å; L117-F143 HydrophobicContact CD1-CD2 3.48Å; L117-F143 VanDerWaalsContact CD1-CD2 3.48Å; L117-F143 HydrophobicContact CD1-CE1 4.37Å; L117-F143 HydrophobicContact CD1-CE2 3.54Å; L117-F143 HydrophobicContact CD1-CG 3.89Å; L117-F143 HydrophobicContact CD1-CZ 4.01Å; L138-F143 HydrophobicContact CD1-CD2 4.41Å; L138-F143 HydrophobicContact CD1-CE2 3.99Å; L138-F143 HydrophobicContact CD2-CE2 4.35Å; L138-F143 HydrophobicContact CG-CD2 4.07Å; L138-F143 HydrophobicContact CG-CE2 3.98Å; L138-F143 PolarHBondContact O-N 3.12Å; V139-F143 CarbonylContact O-C 3.49Å; V139-F143 WeakPolarHBondContact O-CA 3.39Å; V139-F143 PolarHBondContact O-N 3.39Å; F143-Q145 PolarHBondContact O-N 2.89Å; F143-Y146 HydrophobicContact CB-CD2 3.57Å; F143-Y146 HydrophobicContact CB-CE2 3.8Å; F143-Y146 HydrophobicContact CB-CG 4.41Å; F143-Y146 AromaticContact CD1-CE2 3.94Å; F143-Y146 HydrophobicContact CD1-CE2 3.94Å; F143-Y146 HydrophobicContact CG-CD2 4.29Å; F143-Y146 HydrophobicContact CG-CE2 4.06Å; F143-Y146 PolarHBondContact O-N 3.38Å
144	P	98.1	Very high	98.1	Very high	67 Å²	67	47.8 Å²	47.8	44%	0.435	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-60.5	-20.6	-174.3	26.6	-36.2	0	0	0	113.2	V139 Y146 L147	V139-P144 WeakPolarHBondContact O-CA 3.5Å; V139-P144 VanDerWaalsContact O-N 3.1Å; P144-Y146 PolarHBondContact O-N 2.91Å; P144-L147 HydrophobicContact CB-CD1 4.16Å; P144-L147 WeakPolarHBondContact O-CB 3.46Å; P144-L147 PolarHBondContact O-N 3.46Å
145	Q	98.2	Very high	98.2	Very high	110 Å²	110	45.6 Å²	45.6	51%	0.514	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.7	173.3	68.2	-83.3	11.6	0	0	113.9	F143	F143-Q145 PolarHBondContact O-N 2.89Å
146	Y	98.1	Very high	98	Very high	47 Å²	47	45.7 Å²	45.7	18%	0.184	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-81.2	-23.5	178.9	-61.2	-30.8	0	0	0	113.2	L117 P124 L125 F143 P144 K148 N149	L117-Y146 HydrophobicContact CB-CE2 4.11Å; L117-Y146 HydrophobicContact CD1-CE2 4.31Å; P124-Y146 HydrophobicContact CB-CD1 3.48Å; P124-Y146 VanDerWaalsContact CB-CD1 3.48Å; P124-Y146 HydrophobicContact CB-CE1 3.71Å; P124-Y146 HydrophobicContact CB-CG 3.97Å; P124-Y146 HydrophobicContact CG-CD1 4.05Å; P124-Y146 HydrophobicContact CG-CE1 4.37Å; L125-Y146 HydrophobicContact CD2-CD2 3.91Å; L125-Y146 HydrophobicContact CD2-CG 4.11Å; F143-Y146 HydrophobicContact CB-CD2 3.57Å; F143-Y146 HydrophobicContact CB-CE2 3.8Å; F143-Y146 HydrophobicContact CB-CG 4.41Å; F143-Y146 AromaticContact CD1-CE2 3.94Å; F143-Y146 HydrophobicContact CD1-CE2 3.94Å; F143-Y146 HydrophobicContact CG-CD2 4.29Å; F143-Y146 HydrophobicContact CG-CE2 4.06Å; F143-Y146 PolarHBondContact O-N 3.38Å; P144-Y146 PolarHBondContact O-N 2.91Å; Y146-K148 PolarHBondContact O-N 3.25Å; Y146-K148 VanDerWaalsContact O-N 3.1Å; Y146-N149 PolarHBondContact O-N 3.02Å; Y146-N149 VanDerWaalsContact O-N 3.1Å
147	L	98.2	Very high	97.6	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.157	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37	-178.2	-66.9	172.6	0	0	0	112.8	V139 P144 N149 I150 V175	V139-L147 HydrophobicContact CG1-CD2 3.75Å; V139-L147 HydrophobicContact CG1-CG 4.22Å; P144-L147 HydrophobicContact CB-CD1 4.16Å; P144-L147 WeakPolarHBondContact O-CB 3.46Å; P144-L147 PolarHBondContact O-N 3.46Å; L147-N149 PolarHBondContact O-N 3.06Å; L147-I150 PolarHBondContact O-N 3.16Å; L147-I150 VanDerWaalsContact O-N 3.09Å; L147-V175 HydrophobicContact CD2-CG1 4.14Å
148	K	96.6	Very high	97.1	Very high	190 Å²	190	48.5 Å²	48.5	83%	0.826	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-53.4	-32.5	-178.9	-178.4	179.8	176.2	-176.5	0	113.7	Y146	Y146-K148 PolarHBondContact O-N 3.25Å; Y146-K148 VanDerWaalsContact O-N 3.1Å
149	N	95.9	Very high	96.6	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-105.5	-3.6	-175.6	-65	-31.6	0	0	0	113.1	N126 Y146 L147 K151	N126-N149 VanDerWaalsContact CB-O 3.25Å; N126-N149 WeakPolarHBondContact CB-O 3.27Å; Y146-N149 PolarHBondContact O-N 3.02Å; Y146-N149 VanDerWaalsContact O-N 3.1Å; L147-N149 PolarHBondContact O-N 3.06Å; N149-K151 PolarHBondContact O-N 3.46Å
150	I	98.6	Very high	96.3	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.046	24%	0.242	C	C	.	.			trans	-81.4	118	177.8	-67.7	164	0	0	0	108.6	L125 N126 I128 V139 L147 G152 V175	L125-I150 HydrophobicContact CD1-CD1 4.21Å; L125-I150 HydrophobicContact CD2-CD1 4.21Å; L125-I150 HydrophobicContact CG-CD1 3.98Å; L125-I150 HydrophobicContact CG-CG1 4.16Å; N126-I150 CarbonylContact O-C 3.52Å; N126-I150 WeakPolarHBondContact O-CA 3.35Å; I128-I150 HydrophobicContact CD1-CD1 3.96Å; I128-I150 HydrophobicContact CD1-CG2 4.49Å; I128-I150 HydrophobicContact CG1-CD1 4.44Å; V139-I150 HydrophobicContact CG1-CD1 3.75Å; L147-I150 PolarHBondContact O-N 3.16Å; L147-I150 VanDerWaalsContact O-N 3.09Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 WeakPolarHBondContact CG2-O 3.27Å; I150-V175 HydrophobicContact CB-CG1 3.95Å; I150-V175 HydrophobicContact CG2-CB 4.35Å; I150-V175 HydrophobicContact CG2-CG1 3.92Å; I150-V175 HydrophobicContact CG2-CG2 4.33Å
151	K	98.3	Very high	96.2	Very high	76 Å²	76	49 Å²	49	33%	0.33	24%	0.24	S	C	.	.			trans	-77.3	-21.9	-179.5	-75.1	-160	-175.5	179.5	0	113.5	N126 M127 N149 P176 W373	N126-K151 PolarHBondContact O-N 3.15Å; M127-K151 HydrophobicContact SD-CB 3.78Å; N149-K151 PolarHBondContact O-N 3.46Å; K151-P176 WeakPolarHBondContact O-CG 3.27Å; K151-W373 HydrophobicContact CB-CE3 4.25Å; K151-W373 HydrophobicContact CB-CZ3 4.42Å; K151-W373 HydrophobicContact CD-CD2 4.29Å; K151-W373 HydrophobicContact CD-CE3 3.56Å; K151-W373 HydrophobicContact CD-CH2 4.38Å; K151-W373 HydrophobicContact CD-CZ3 3.61Å; K151-W373 HydrophobicContact CG-CE3 4.14Å; K151-W373 HydrophobicContact CG-CZ3 3.95Å; K151-W373 PolarHBondContact NZ-O 3.36Å; K151-W373 VanDerWaalsContact NZ-O 3.09Å
152	G	98.5	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.			trans	171.7	173.4	175	0	0	0	0	0	112.8	I128 I150 P176	I128-G152 PolarHBondContact N-O 2.87Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 WeakPolarHBondContact CG2-O 3.27Å; G152-P176 CarbonylContact C-O 3.57Å; G152-P176 WeakPolarHBondContact CA-O 3.42Å
153	L	98.5	Very high	95.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.1	174	69.7	86.2	0	0	0	110.8	I128 T136 E155 L164 L173 V175 P176 A177 I178 L372	I128-L153 HydrophobicContact CB-CB 3.62Å; I128-L153 HydrophobicContact CG2-CB 3.75Å; I128-L153 VanDerWaalsContact O-CA 3.31Å; I128-L153 WeakPolarHBondContact O-CA 3.44Å; T136-L153 HydrophobicContact CG2-CD2 3.69Å; L153-E155 HydrophobicContact CD1-CB 4.31Å; L153-L164 HydrophobicContact CD1-CD1 3.65Å; L153-L164 HydrophobicContact CD1-CD2 3.8Å; L153-L164 HydrophobicContact CD1-CG 4.38Å; L153-L164 HydrophobicContact CD2-CD2 3.95Å; L153-L164 HydrophobicContact CG-CD2 4.5Å; L153-L173 HydrophobicContact CD2-CD1 4.33Å; L153-V175 HydrophobicContact CD2-CG2 3.59Å; L153-V175 HydrophobicContact CG-CG2 4.19Å; L153-P176 PolarHBondContact N-O 3.38Å; L153-A177 HydrophobicContact CD1-CB 3.43Å; L153-A177 VanDerWaalsContact CD1-CB 3.43Å; L153-A177 HydrophobicContact CD2-CB 4.41Å; L153-A177 HydrophobicContact CG-CB 3.75Å; L153-A177 CarbonylContact O-C 3.23Å; L153-A177 VanDerWaalsContact O-CA 3.27Å; L153-A177 WeakPolarHBondContact O-CA 3.24Å; L153-I178 PolarHBondContact O-N 3.35Å; L153-L372 VanDerWaalsContact O-CD1 3.23Å; L153-L372 WeakPolarHBondContact O-CD1 3.36Å
154	S	98.8	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.9	168.7	58.9	0	0	0	0	110.2	I128 D130 I178 Q365 Q369	I128-S154 PolarHBondContact O-N 3.24Å; I128-S154 VanDerWaalsContact O-N 3.09Å; D130-S154 PolarHBondContact N-O 3.01Å; S154-I178 WeakPolarHBondContact CA-O 3.21Å; S154-Q365 PolarHBondContact OG-OE1 3.37Å; S154-Q369 PolarHBondContact OG-NE2 2.98Å
155	E	98.4	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.4	-173.6	170	59.2	-124.1	0	0	110.9	D130 G132 G133 L153 T157 V161 L164 I178 V180 N181	D130-E155 WeakPolarHBondContact CB-OE2 3.16Å; D130-E155 WeakPolarHBondContact O-CA 3.25Å; G132-E155 PolarHBondContact N-OE1 3.09Å; G132-E155 PolarHBondContact N-OE2 3.18Å; G133-E155 WeakPolarHBondContact CA-OE2 3.42Å; G133-E155 PolarHBondContact N-OE2 2.86Å; G133-E155 VanDerWaalsContact N-OE2 3.1Å; L153-E155 HydrophobicContact CD1-CB 4.31Å; E155-T157 WeakPolarHBondContact OE1-CB 3.26Å; E155-T157 PolarHBondContact OE1-N 3.06Å; E155-T157 PolarHBondContact OE1-OG1 2.88Å; E155-V161 HydrophobicContact CB-CG2 4.42Å; E155-V161 HydrophobicContact CG-CG2 3.85Å; E155-L164 HydrophobicContact CB-CD1 3.52Å; E155-L164 HydrophobicContact CG-CD1 3.88Å; E155-I178 PolarHBondContact N-O 3.37Å; E155-V180 WeakPolarHBondContact O-CB 3.18Å; E155-V180 PolarHBondContact O-N 3.39Å; E155-N181 PolarHBondContact O-N 2.86Å
156	E	95	Very high	95.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.214	C	C	.	.			trans	-95.7	-24.3	-169.7	-164.3	157.6	156.7	0	0	114.7	D130 V180 N181 K186 S361 Q365	D130-E156 PolarHBondContact O-N 3.48Å; E156-V180 HydrophobicContact CG-CG1 4.46Å; E156-N181 VanDerWaalsContact O-CA 3.28Å; E156-N181 WeakPolarHBondContact O-CA 3.49Å; E156-N181 WeakPolarHBondContact O-CB 3.5Å; E156-N181 PolarHBondContact O-OD1 3.4Å; E156-N181 VanDerWaalsContact O-OD1 3.06Å; E156-K186 HydrophobicContact CG-CD 4.5Å; E156-K186 HydrophobicContact CG-CG 4.38Å; E156-K186 WeakPolarHBondContact O-CE 3.42Å; E156-K186 PolarHBondContact O-NZ 2.95Å; E156-S361 WeakPolarHBondContact OE1-CB 3.31Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.43Å; E156-Q365 PolarHBondContact OE2-NE2 3.09Å
157	T	90.3	Very high	95.9	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.074	21%	0.206	C	C	.	.	S	Bend	trans	-103.7	150.7	-168.6	67.1	0	0	0	0	113.1	D131 G132 E155 T159 G160 V161	D131-T157 HydrophobicContact CB-CG2 4.31Å; D131-T157 VanDerWaalsContact CG-CG2 3.42Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.27Å; G132-T157 WeakPolarHBondContact CA-OG1 3.37Å; G132-T157 PolarHBondContact N-OG1 3.1Å; G132-T157 VanDerWaalsContact N-OG1 3.17Å; E155-T157 WeakPolarHBondContact OE1-CB 3.26Å; E155-T157 PolarHBondContact OE1-N 3.06Å; E155-T157 PolarHBondContact OE1-OG1 2.88Å; T157-T159 PolarHBondContact O-N 3.09Å; T157-G160 PolarHBondContact O-N 2.99Å; T157-G160 PolarHBondContact OG1-N 3.25Å; T157-V161 WeakPolarHBondContact O-CB 3.14Å; T157-V161 WeakPolarHBondContact O-CG2 3.43Å; T157-V161 PolarHBondContact O-N 3.46Å
158	T	87.4	Confident	95.9	Very high	86 Å²	86	46.4 Å²	46.4	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-41.2	171.7	-53.3	0	0	0	0	111.6	H162 N181	T158-H162 WeakPolarHBondContact O-CB 3.23Å; T158-H162 PolarHBondContact O-N 2.98Å; T158-N181 PolarHBondContact N-OD1 2.66Å; T158-N181 PolarHBondContact OG1-ND2 3.15Å; T158-N181 VanDerWaalsContact OG1-ND2 3.16Å; T158-N181 PolarHBondContact OG1-OD1 2.8Å
159	T	88	Confident	95.9	Very high	33 Å²	33	46.6 Å²	46.6	20%	0.202	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-52.2	-178	-55.9	0	0	0	0	112.2	T157 V161 H162 N163 F302	T157-T159 PolarHBondContact O-N 3.09Å; T159-V161 VanDerWaalsContact C-N 3.28Å; T159-V161 PolarHBondContact O-N 3.36Å; T159-H162 WeakPolarHBondContact O-CB 3.12Å; T159-H162 PolarHBondContact O-N 2.87Å; T159-N163 PolarHBondContact O-N 2.77Å; T159-F302 HydrophobicContact CG2-CD2 3.65Å; T159-F302 HydrophobicContact CG2-CE1 4.48Å; T159-F302 HydrophobicContact CG2-CE2 2.99Å; T159-F302 HydrophobicContact CG2-CZ 3.48Å; T159-F302 VanDerWaalsContact CG2-CZ 3.48Å
160	G	93.1	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-39.7	178.3	0	0	0	0	0	111.4	G132 T157 H162 N163 L164	G132-G160 WeakPolarHBondContact O-CA 3.34Å; T157-G160 PolarHBondContact O-N 2.99Å; T157-G160 PolarHBondContact OG1-N 3.25Å; G160-H162 PolarHBondContact O-N 3.06Å; G160-N163 WeakPolarHBondContact O-CB 3.27Å; G160-N163 PolarHBondContact O-N 3.1Å; G160-L164 WeakPolarHBondContact O-CG 3.39Å; G160-L164 PolarHBondContact O-N 2.99Å
161	V	95.5	Very high	96	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-44.2	174.3	168.3	0	0	0	0	112.1	E155 T157 T159 N163 L164 Y165 N179 N181	E155-V161 HydrophobicContact CB-CG2 4.42Å; E155-V161 HydrophobicContact CG-CG2 3.85Å; T157-V161 WeakPolarHBondContact O-CB 3.14Å; T157-V161 WeakPolarHBondContact O-CG2 3.43Å; T157-V161 PolarHBondContact O-N 3.46Å; T159-V161 VanDerWaalsContact C-N 3.28Å; T159-V161 PolarHBondContact O-N 3.36Å; V161-N163 VanDerWaalsContact C-N 3.27Å; V161-N163 PolarHBondContact O-N 2.79Å; V161-L164 WeakPolarHBondContact O-CB 3.28Å; V161-L164 PolarHBondContact O-N 2.91Å; V161-Y165 HydrophobicContact CG1-CD2 3.66Å; V161-Y165 HydrophobicContact CG1-CE2 3.38Å; V161-Y165 VanDerWaalsContact O-CD2 3.25Å; V161-Y165 WeakPolarHBondContact O-CD2 3.38Å; V161-Y165 PolarHBondContact O-N 3.39Å; V161-N179 HydrophobicContact CG1-CB 4.25Å; V161-N179 VanDerWaalsContact CG1-ND2 3.26Å; V161-N179 WeakPolarHBondContact CG1-ND2 2.98Å; V161-N179 HydrophobicContact CG2-CB 3.98Å; V161-N179 VanDerWaalsContact CG2-OD1 3.29Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.34Å; V161-N181 HydrophobicContact CG2-CB 3.87Å
162	H	93.8	Very high	96	Very high	136 Å²	136	52.5 Å²	52.5	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-59.6	-42.2	176	-171.6	85.7	0	0	0	111.2	T158 T159 G160 Y165 K166	T158-H162 WeakPolarHBondContact O-CB 3.23Å; T158-H162 PolarHBondContact O-N 2.98Å; T159-H162 WeakPolarHBondContact O-CB 3.12Å; T159-H162 PolarHBondContact O-N 2.87Å; G160-H162 PolarHBondContact O-N 3.06Å; H162-Y165 PolarHBondContact O-N 3.2Å; H162-K166 PolarHBondContact O-N 2.55Å
163	N	95.8	Very high	96	Very high	35 Å²	35	53 Å²	53	19%	0.187	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-43.8	174.4	-177.6	49.1	0	0	0	111.9	N137 T159 G160 V161 Y165 K166 M167	N137-N163 PolarHBondContact ND2-ND2 2.89Å; N137-N163 PolarHBondContact OD1-ND2 2.87Å; T159-N163 PolarHBondContact O-N 2.77Å; G160-N163 WeakPolarHBondContact O-CB 3.27Å; G160-N163 PolarHBondContact O-N 3.1Å; V161-N163 VanDerWaalsContact C-N 3.27Å; V161-N163 PolarHBondContact O-N 2.79Å; N163-Y165 PolarHBondContact O-N 2.72Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 3.24Å; N163-K166 VanDerWaalsContact O-N 3.16Å; N163-M167 VanDerWaalsContact O-CG 3.31Å; N163-M167 WeakPolarHBondContact O-CG 3.29Å; N163-M167 PolarHBondContact O-N 2.92Å
164	L	98.4	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.3	-70.4	170.9	0	0	0	112.7	T136 L153 E155 G160 V161 K166 M167 F168 L173 A177 V383	T136-L164 HydrophobicContact CG2-CD2 3.94Å; L153-L164 HydrophobicContact CD1-CD1 3.65Å; L153-L164 HydrophobicContact CD1-CD2 3.8Å; L153-L164 HydrophobicContact CD1-CG 4.38Å; L153-L164 HydrophobicContact CD2-CD2 3.95Å; L153-L164 HydrophobicContact CG-CD2 4.5Å; E155-L164 HydrophobicContact CB-CD1 3.52Å; E155-L164 HydrophobicContact CG-CD1 3.88Å; G160-L164 WeakPolarHBondContact O-CG 3.39Å; G160-L164 PolarHBondContact O-N 2.99Å; V161-L164 WeakPolarHBondContact O-CB 3.28Å; V161-L164 PolarHBondContact O-N 2.91Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.4Å; L164-M167 PolarHBondContact O-N 3.08Å; L164-F168 WeakPolarHBondContact O-CB 3.22Å; L164-F168 PolarHBondContact O-N 3.34Å; L164-L173 HydrophobicContact CD2-CD1 3.8Å; L164-A177 HydrophobicContact CD1-CB 3.97Å; L164-A177 HydrophobicContact CD2-CB 4.28Å; L164-V383 HydrophobicContact CB-CG2 3.74Å
165	Y	98	Very high	95.9	Very high	96 Å²	96	54.9 Å²	54.9	38%	0.376	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-39.5	175.4	-78.8	-61.7	0	0	0	111.9	V161 H162 N163 F168 K169 V383	V161-Y165 HydrophobicContact CG1-CD2 3.66Å; V161-Y165 HydrophobicContact CG1-CE2 3.38Å; V161-Y165 VanDerWaalsContact O-CD2 3.25Å; V161-Y165 WeakPolarHBondContact O-CD2 3.38Å; V161-Y165 PolarHBondContact O-N 3.39Å; H162-Y165 PolarHBondContact O-N 3.2Å; N163-Y165 PolarHBondContact O-N 2.72Å; Y165-F168 PolarHBondContact O-N 3.06Å; Y165-K169 WeakPolarHBondContact O-CB 3.16Å; Y165-K169 PolarHBondContact O-N 3.24Å; Y165-V383 HydrophobicContact CD1-CB 3.88Å; Y165-V383 HydrophobicContact CD1-CG1 4.24Å; Y165-V383 HydrophobicContact CD1-CG2 4.01Å; Y165-V383 HydrophobicContact CD2-CG1 4.49Å; Y165-V383 HydrophobicContact CE1-CB 3.55Å; Y165-V383 HydrophobicContact CE1-CG1 3.74Å; Y165-V383 HydrophobicContact CE1-CG2 4.22Å; Y165-V383 HydrophobicContact CE2-CG1 4.03Å; Y165-V383 HydrophobicContact CG-CG2 4.42Å
166	K	97.9	Very high	95.9	Very high	108 Å²	108	55.5 Å²	55.5	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-51.5	174.3	-179.1	-175.2	173.9	-171.5	0	111.3	H162 N163 L164 F168 K169 E170	H162-K166 PolarHBondContact O-N 2.55Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 3.24Å; N163-K166 VanDerWaalsContact O-N 3.16Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.4Å; K166-F168 VanDerWaalsContact C-N 3.27Å; K166-F168 PolarHBondContact O-N 3.2Å; K166-K169 PolarHBondContact O-N 2.63Å; K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact CG-OE1 3.37Å; K166-E170 WeakPolarHBondContact O-CB 3.31Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.09Å
167	M	98.3	Very high	96.1	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-40.8	177.2	-69.8	173.5	73.3	0	0	111.7	T136 H140 N163 L164 E170 G171 R172 L173	T136-M167 HydrophobicContact CG2-CE 4.28Å; T136-M167 HydrophobicContact CG2-SD 4.29Å; H140-M167 HydrophobicContact CB-CE 3.79Å; H140-M167 VanDerWaalsContact CG-CE 3.4Å; N163-M167 VanDerWaalsContact O-CG 3.31Å; N163-M167 WeakPolarHBondContact O-CG 3.29Å; N163-M167 PolarHBondContact O-N 2.92Å; L164-M167 PolarHBondContact O-N 3.08Å; M167-E170 PolarHBondContact O-N 2.87Å; M167-G171 PolarHBondContact O-N 3.13Å; M167-R172 HydrophobicContact CB-CB 4.42Å; M167-R172 PolarHBondContact O-N 3.33Å; M167-L173 HydrophobicContact CB-CB 4.05Å; M167-L173 HydrophobicContact CE-CD1 4.49Å; M167-L173 PolarHBondContact O-N 2.85Å; M167-L173 VanDerWaalsContact O-N 3.16Å
168	F	98.3	Very high	96.5	Very high	100 Å²	100	54.9 Å²	54.9	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-46.1	177.4	-177.2	-118.1	0	0	0	112.1	L164 Y165 K166 E170 G171 L173 V381 V383	L164-F168 WeakPolarHBondContact O-CB 3.22Å; L164-F168 PolarHBondContact O-N 3.34Å; Y165-F168 PolarHBondContact O-N 3.06Å; K166-F168 VanDerWaalsContact C-N 3.27Å; K166-F168 PolarHBondContact O-N 3.2Å; F168-E170 PolarHBondContact O-N 2.77Å; F168-G171 PolarHBondContact O-N 3.25Å; F168-L173 HydrophobicContact CB-CB 4.21Å; F168-L173 HydrophobicContact CB-CD2 3.98Å; F168-L173 HydrophobicContact CD2-CD2 4.24Å; F168-L173 HydrophobicContact CG-CD2 4.46Å; F168-V381 WeakPolarHBondContact CE2-O 3.48Å; F168-V383 HydrophobicContact CB-CG2 4.38Å
169	K	98	Very high	97	Very high	193 Å²	193	50.8 Å²	50.8	84%	0.839	26%	0.256	S	S	*	.	H	α-helix	trans	-60	-34.9	176.2	-176	-179	177.3	-176.2	0	112.4	Y165 K166 G171	Y165-K169 WeakPolarHBondContact O-CB 3.16Å; Y165-K169 PolarHBondContact O-N 3.24Å; K166-K169 PolarHBondContact O-N 2.63Å; K169-G171 VanDerWaalsContact C-N 3.29Å
170	E	97.9	Very high	97.4	Very high	102 Å²	102	49.2 Å²	49.2	48%	0.477	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2	177.2	-68.3	174.9	-175.5	0	0	113.5	K166 M167 F168 R172	K166-E170 WeakPolarHBondContact CE-OE1 3.25Å; K166-E170 WeakPolarHBondContact CG-OE1 3.37Å; K166-E170 WeakPolarHBondContact O-CB 3.31Å; K166-E170 WeakPolarHBondContact O-CG 3.47Å; K166-E170 PolarHBondContact O-N 3.09Å; M167-E170 PolarHBondContact O-N 2.87Å; F168-E170 PolarHBondContact O-N 2.77Å; E170-R172 HydrophobicContact CB-CG 4.21Å; E170-R172 PolarHBondContact O-N 3.03Å
171	G	97.7	Very high	97.5	Very high	69 Å²	69	49.5 Å²	49.5	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	18.3	-177.3	0	0	0	0	0	114.2	M167 F168 K169	M167-G171 PolarHBondContact O-N 3.13Å; F168-G171 PolarHBondContact O-N 3.25Å; K169-G171 VanDerWaalsContact C-N 3.29Å
172	R	97.6	Very high	97.5	Very high	120 Å²	120	52.7 Å²	52.7	45%	0.453	27%	0.265	S	S	.	.			trans	-94.9	-20.5	-178.6	-71.6	-176.4	56.8	167.7	-7.6	114.1	H140 E141 M167 E170 G174	H140-R172 PolarHBondContact CD2-O 3.1Å; E141-R172 IonicContact OE1-CZ 3.01Å; E141-R172 IonicContact OE1-NH2 2.98Å; E141-R172 PolarHBondContact OE1-NH2 3.2Å; M167-R172 HydrophobicContact CB-CB 4.42Å; M167-R172 PolarHBondContact O-N 3.33Å; E170-R172 HydrophobicContact CB-CG 4.21Å; E170-R172 PolarHBondContact O-N 3.03Å; R172-G174 PolarHBondContact O-N 3.42Å
173	L	98.5	Very high	97.7	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	24%	0.235	C	C	.	.			trans	-67.9	120.6	177.6	-177.2	64	0	0	0	109.7	L153 L164 M167 F168 V175 A177 V381 V383	L153-L173 HydrophobicContact CD2-CD1 4.33Å; L164-L173 HydrophobicContact CD2-CD1 3.8Å; M167-L173 HydrophobicContact CB-CB 4.05Å; M167-L173 HydrophobicContact CE-CD1 4.49Å; M167-L173 PolarHBondContact O-N 2.85Å; M167-L173 VanDerWaalsContact O-N 3.16Å; F168-L173 HydrophobicContact CB-CB 4.21Å; F168-L173 HydrophobicContact CB-CD2 3.98Å; F168-L173 HydrophobicContact CD2-CD2 4.24Å; F168-L173 HydrophobicContact CG-CD2 4.46Å; L173-V175 WeakPolarHBondContact CG-O 3.38Å; L173-A177 HydrophobicContact CD2-CB 4.49Å; L173-V381 HydrophobicContact CG-CG1 4.32Å; L173-V381 WeakPolarHBondContact O-CG1 3.48Å; L173-V383 HydrophobicContact CD2-CG2 4.05Å
174	G	97.6	Very high	97.7	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	24%	0.237	S	C	.	.			trans	-97.1	-11.3	-173.2	0	0	0	0	0	115.3	H140 R172	H140-G174 PolarHBondContact CD2-N 3.39Å; H140-G174 PolarHBondContact NE2-N 3.13Å; R172-G174 PolarHBondContact O-N 3.42Å
175	V	98.3	Very high	97.7	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.238	C	C	.	.	S	Bend	trans	-140.5	155.8	-173.1	-62.7	0	0	0	0	111	L147 I150 L153 L173	L147-V175 HydrophobicContact CD2-CG1 4.14Å; I150-V175 HydrophobicContact CB-CG1 3.95Å; I150-V175 HydrophobicContact CG2-CB 4.35Å; I150-V175 HydrophobicContact CG2-CG1 3.92Å; I150-V175 HydrophobicContact CG2-CG2 4.33Å; L153-V175 HydrophobicContact CD2-CG2 3.59Å; L153-V175 HydrophobicContact CG-CG2 4.19Å; L173-V175 WeakPolarHBondContact CG-O 3.38Å
176	P	98.5	Very high	97.7	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.9	172.3	27.9	-34.9	0	0	0	111.1	K151 G152 L153 L372	K151-P176 WeakPolarHBondContact O-CG 3.27Å; G152-P176 CarbonylContact C-O 3.57Å; G152-P176 WeakPolarHBondContact CA-O 3.42Å; L153-P176 PolarHBondContact N-O 3.38Å; P176-L372 HydrophobicContact CB-CD2 4.27Å; P176-L372 HydrophobicContact CG-CD2 4.31Å
177	A	98.7	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.8	-179.9	0	0	0	0	0	111.3	L153 L164 L173 G382 V383 H384	L153-A177 HydrophobicContact CD1-CB 3.43Å; L153-A177 VanDerWaalsContact CD1-CB 3.43Å; L153-A177 HydrophobicContact CD2-CB 4.41Å; L153-A177 HydrophobicContact CG-CB 3.75Å; L153-A177 CarbonylContact O-C 3.23Å; L153-A177 VanDerWaalsContact O-CA 3.27Å; L153-A177 WeakPolarHBondContact O-CA 3.24Å; L164-A177 HydrophobicContact CD1-CB 3.97Å; L164-A177 HydrophobicContact CD2-CB 4.28Å; L173-A177 HydrophobicContact CD2-CB 4.49Å; A177-G382 PolarHBondContact N-O 2.98Å; A177-V383 HydrophobicContact CB-CG2 4.49Å; A177-H384 PolarHBondContact O-CD2 3Å; A177-H384 PolarHBondContact O-N 3.26Å
178	I	98.7	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.2	163.6	-68.5	-179.3	0	0	0	109.2	L153 S154 E155 V180 A368 E371 L372 Y379 H384 L386	L153-I178 PolarHBondContact O-N 3.35Å; S154-I178 WeakPolarHBondContact CA-O 3.21Å; E155-I178 PolarHBondContact N-O 3.37Å; I178-V180 HydrophobicContact CG2-CG2 4.06Å; I178-V180 PolarHBondContact O-N 3.03Å; I178-A368 HydrophobicContact CB-CB 4.12Å; I178-A368 HydrophobicContact CD1-CB 4.11Å; I178-A368 HydrophobicContact CG2-CB 3.82Å; I178-E371 HydrophobicContact CD1-CB 4.29Å; I178-E371 HydrophobicContact CD1-CG 4.43Å; I178-L372 HydrophobicContact CB-CD1 4.2Å; I178-L372 HydrophobicContact CD1-CD1 4.02Å; I178-L372 HydrophobicContact CD1-CD2 4.16Å; I178-L372 HydrophobicContact CD1-CG 3.66Å; I178-L372 HydrophobicContact CG1-CD1 3.92Å; I178-L372 HydrophobicContact CG1-CD2 4.05Å; I178-L372 HydrophobicContact CG1-CG 3.91Å; I178-Y379 HydrophobicContact CD1-CE1 4.45Å; I178-H384 CarbonylContact C-O 3.49Å; I178-H384 WeakPolarHBondContact CA-O 3.43Å; I178-L386 HydrophobicContact CD1-CD1 4.34Å; I178-L386 HydrophobicContact CG2-CB 4.24Å; I178-L386 HydrophobicContact CG2-CD1 4.2Å
179	N	98	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	101.3	165	170.4	-1.7	0	0	0	108.3	V161 N181 D182 V383 H384	V161-N179 HydrophobicContact CG1-CB 4.25Å; V161-N179 VanDerWaalsContact CG1-ND2 3.26Å; V161-N179 WeakPolarHBondContact CG1-ND2 2.98Å; V161-N179 HydrophobicContact CG2-CB 3.98Å; V161-N179 VanDerWaalsContact CG2-OD1 3.29Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.34Å; N179-N181 WeakPolarHBondContact OD1-CB 3.29Å; N179-N181 PolarHBondContact OD1-N 3.35Å; N179-N181 VanDerWaalsContact OD1-N 3.15Å; N179-D182 PolarHBondContact ND2-OD2 3.01Å; N179-D182 PolarHBondContact OD1-N 3.49Å; N179-V383 HydrophobicContact CB-CG1 3.88Å; N179-H384 WeakPolarHBondContact CB-O 3.35Å; N179-H384 PolarHBondContact N-O 3.49Å
180	V	97.5	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.			trans	-82	-28.2	174.3	168.6	0	0	0	0	110.6	E155 E156 I178 D182 S183 K186 N364 Q365 A368	E155-V180 WeakPolarHBondContact O-CB 3.18Å; E155-V180 PolarHBondContact O-N 3.39Å; E156-V180 HydrophobicContact CG-CG1 4.46Å; I178-V180 HydrophobicContact CG2-CG2 4.06Å; I178-V180 PolarHBondContact O-N 3.03Å; V180-D182 PolarHBondContact O-N 2.94Å; V180-S183 WeakPolarHBondContact O-CB 3.33Å; V180-S183 PolarHBondContact O-N 3.13Å; V180-S183 VanDerWaalsContact O-N 3.12Å; V180-K186 HydrophobicContact CG1-CB 4.42Å; V180-K186 HydrophobicContact CG1-CG 4.06Å; V180-K186 WeakPolarHBondContact O-CB 2.92Å; V180-K186 WeakPolarHBondContact O-CG 3.21Å; V180-N364 HydrophobicContact CG1-CB 3.43Å; V180-N364 VanDerWaalsContact CG1-CB 3.43Å; V180-Q365 HydrophobicContact CG1-CG 4.38Å; V180-A368 HydrophobicContact CG2-CB 3.8Å
181	N	94.5	Very high	96.7	Very high	5 Å²	5	25 Å²	25	3%	0.027	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-44.4	-179.9	-172.7	67.9	0	0	0	112.6	E155 E156 T158 V161 N179 S183 K186 S187	E155-N181 PolarHBondContact O-N 2.86Å; E156-N181 VanDerWaalsContact O-CA 3.28Å; E156-N181 WeakPolarHBondContact O-CA 3.49Å; E156-N181 WeakPolarHBondContact O-CB 3.5Å; E156-N181 PolarHBondContact O-OD1 3.4Å; E156-N181 VanDerWaalsContact O-OD1 3.06Å; T158-N181 PolarHBondContact N-OD1 2.66Å; T158-N181 PolarHBondContact OG1-ND2 3.15Å; T158-N181 VanDerWaalsContact OG1-ND2 3.16Å; T158-N181 PolarHBondContact OG1-OD1 2.8Å; V161-N181 HydrophobicContact CG2-CB 3.87Å; N179-N181 WeakPolarHBondContact OD1-CB 3.29Å; N179-N181 PolarHBondContact OD1-N 3.35Å; N179-N181 VanDerWaalsContact OD1-N 3.15Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.14Å; N181-K186 PolarHBondContact OD1-NZ 2.82Å; N181-S187 WeakPolarHBondContact O-CB 3.33Å; N181-S187 PolarHBondContact O-N 3.46Å; N181-S187 PolarHBondContact O-OG 3.23Å; N181-S187 VanDerWaalsContact O-OG 3.1Å
182	D	95.4	Very high	96.7	Very high	73 Å²	73	22.9 Å²	22.9	39%	0.39	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	3.6	-173.7	-65.1	-11.6	0	0	0	113.5	N179 V180	N179-D182 PolarHBondContact ND2-OD2 3.01Å; N179-D182 PolarHBondContact OD1-N 3.49Å; V180-D182 PolarHBondContact O-N 2.94Å
183	S	97.1	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-58.8	142.4	159.6	-75.8	0	0	0	0	109.5	V180 N181 T185 K186 S187 N364 L386	V180-S183 WeakPolarHBondContact O-CB 3.33Å; V180-S183 PolarHBondContact O-N 3.13Å; V180-S183 VanDerWaalsContact O-N 3.12Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.14Å; S183-T185 VanDerWaalsContact C-N 3.34Å; S183-T185 PolarHBondContact O-N 3.2Å; S183-K186 PolarHBondContact O-N 2.98Å; S183-K186 VanDerWaalsContact O-N 3.09Å; S183-S187 PolarHBondContact O-N 2.97Å; S183-S187 PolarHBondContact O-OG 2.9Å; S183-S187 VanDerWaalsContact O-OG 3.08Å; S183-N364 WeakPolarHBondContact CB-OD1 3.32Å; S183-N364 PolarHBondContact OG-OD1 3.02Å; S183-L386 WeakPolarHBondContact OG-CB 3.27Å
184	V	97.5	Very high	96.7	Very high	39 Å²	39	20.6 Å²	20.6	24%	0.236	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-51.7	178.8	156.1	0	0	0	0	110.9	K186 K188 D391 Y432	V184-K186 PolarHBondContact O-N 3.17Å; V184-K186 VanDerWaalsContact O-N 3.16Å; V184-K188 PolarHBondContact O-N 3.28Å; V184-D391 WeakPolarHBondContact CA-OD2 3.32Å; V184-D391 WeakPolarHBondContact CB-OD2 3.43Å; V184-D391 WeakPolarHBondContact CG2-OD2 2.92Å; V184-D391 PolarHBondContact N-OD1 2.85Å; V184-D391 PolarHBondContact N-OD2 3.45Å; V184-Y432 VanDerWaalsContact CA-CZ 3.5Å; V184-Y432 VanDerWaalsContact CA-OH 3.32Å; V184-Y432 WeakPolarHBondContact CA-OH 3.38Å; V184-Y432 HydrophobicContact CB-CD1 3.59Å; V184-Y432 HydrophobicContact CB-CE1 3.17Å; V184-Y432 HydrophobicContact CG1-CD1 3.06Å; V184-Y432 HydrophobicContact CG1-CE1 3.11Å; V184-Y432 HydrophobicContact CG1-CG 4.25Å; V184-Y432 HydrophobicContact CG2-CD1 3.54Å; V184-Y432 HydrophobicContact CG2-CE1 3.29Å; V184-Y432 HydrophobicContact CG2-CE2 4.3Å; V184-Y432 HydrophobicContact CG2-CG 4.18Å; V184-Y432 VanDerWaalsContact O-CE1 3.31Å; V184-Y432 WeakPolarHBondContact O-CE1 3.47Å
185	T	98	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-68.8	-11.7	-179.2	51.6	0	0	0	0	113.8	S183 F189 N360 N364 D391 V394 A395	S183-T185 VanDerWaalsContact C-N 3.34Å; S183-T185 PolarHBondContact O-N 3.2Å; T185-F189 HydrophobicContact CG2-CE2 4.32Å; T185-F189 WeakPolarHBondContact O-CB 3.44Å; T185-F189 WeakPolarHBondContact O-CD2 3.48Å; T185-N360 WeakPolarHBondContact O-CB 3.37Å; T185-N364 PolarHBondContact OG1-ND2 3.32Å; T185-N364 PolarHBondContact OG1-OD1 3.43Å; T185-D391 WeakPolarHBondContact CB-OD1 3.42Å; T185-D391 WeakPolarHBondContact CG2-O 2.93Å; T185-D391 VanDerWaalsContact CG2-OD1 3.31Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.23Å; T185-D391 PolarHBondContact N-OD1 2.88Å; T185-D391 PolarHBondContact OG1-OD1 2.99Å; T185-V394 HydrophobicContact CG2-CB 4.05Å; T185-V394 HydrophobicContact CG2-CG1 3.99Å; T185-V394 WeakPolarHBondContact OG1-CB 3.43Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.42Å; T185-A395 HydrophobicContact CG2-CB 3.67Å
186	K	97.6	Very high	96.7	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-89.1	-72.8	169	-164.6	-67.8	-176.2	172.3	0	109.7	E156 V180 N181 S183 V184 K188 F189 D190 N191	E156-K186 HydrophobicContact CG-CD 4.5Å; E156-K186 HydrophobicContact CG-CG 4.38Å; E156-K186 WeakPolarHBondContact O-CE 3.42Å; E156-K186 PolarHBondContact O-NZ 2.95Å; V180-K186 HydrophobicContact CG1-CB 4.42Å; V180-K186 HydrophobicContact CG1-CG 4.06Å; V180-K186 WeakPolarHBondContact O-CB 2.92Å; V180-K186 WeakPolarHBondContact O-CG 3.21Å; N181-K186 PolarHBondContact OD1-NZ 2.82Å; S183-K186 PolarHBondContact O-N 2.98Å; S183-K186 VanDerWaalsContact O-N 3.09Å; V184-K186 PolarHBondContact O-N 3.17Å; V184-K186 VanDerWaalsContact O-N 3.16Å; K186-K188 PolarHBondContact O-N 3.46Å; K186-F189 PolarHBondContact O-N 3.02Å; K186-D190 HydrophobicContact CD-CB 3.9Å; K186-D190 WeakPolarHBondContact CE-OD2 3.45Å; K186-D190 IonicContact NZ-OD2 3.41Å; K186-D190 PolarHBondContact NZ-OD2 2.89Å; K186-D190 WeakPolarHBondContact O-CB 3.3Å; K186-D190 PolarHBondContact O-N 3.4Å; K186-N191 PolarHBondContact NZ-OD1 3.16Å
187	S	93.1	Very high	96.7	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	13%	0.13	C	C	.	.	I	π-helix	trans	-62.3	-36	-166.4	38.1	0	0	0	0	114.2	N181 S183 N191 Y432	N181-S187 WeakPolarHBondContact O-CB 3.33Å; N181-S187 PolarHBondContact O-N 3.46Å; N181-S187 PolarHBondContact O-OG 3.23Å; N181-S187 VanDerWaalsContact O-OG 3.1Å; S183-S187 PolarHBondContact O-N 2.97Å; S183-S187 PolarHBondContact O-OG 2.9Å; S183-S187 VanDerWaalsContact O-OG 3.08Å; S187-N191 VanDerWaalsContact O-CB 3.27Å; S187-N191 WeakPolarHBondContact O-CB 3.36Å; S187-N191 PolarHBondContact O-N 2.97Å; S187-Y432 PolarHBondContact OG-OH 2.79Å
188	K	94.4	Very high	96.7	Very high	55 Å²	55	28 Å²	28	24%	0.239	13%	0.131	C	C	.	.	I	π-helix	trans	-81.9	-10.5	177	-65.9	-59.5	178.7	-147.2	0	115.2	V184 K186 L192 Y193 D223 Y432	V184-K188 PolarHBondContact O-N 3.28Å; K186-K188 PolarHBondContact O-N 3.46Å; K188-L192 WeakPolarHBondContact O-CB 3.49Å; K188-Y193 VanDerWaalsContact O-CD2 3.27Å; K188-Y193 WeakPolarHBondContact O-CD2 3.26Å; K188-Y193 WeakPolarHBondContact O-CE2 3.39Å; K188-D223 IonicContact NZ-OD1 2.79Å; K188-D223 PolarHBondContact NZ-OD1 3.3Å; K188-D223 IonicContact NZ-OD2 3.66Å; K188-D223 PolarHBondContact NZ-OD2 2.76Å; K188-Y432 HydrophobicContact CB-CD1 4.13Å; K188-Y432 HydrophobicContact CB-CE1 3.69Å; K188-Y432 HydrophobicContact CD-CD1 4.49Å; K188-Y432 HydrophobicContact CD-CD2 4.37Å; K188-Y432 HydrophobicContact CD-CE1 4.17Å; K188-Y432 HydrophobicContact CD-CE2 4.22Å; K188-Y432 HydrophobicContact CG-CD1 3.38Å; K188-Y432 HydrophobicContact CG-CD2 3.99Å; K188-Y432 HydrophobicContact CG-CE1 2.96Å; K188-Y432 HydrophobicContact CG-CE2 3.8Å; K188-Y432 HydrophobicContact CG-CG 3.87Å
189	F	95.4	Very high	96.7	Very high	56 Å²	56	28 Å²	28	25%	0.246	13%	0.131	C	C	.	.	I	π-helix	trans	-102.8	-56.7	176.9	-69.2	-102.1	0	0	0	110.2	T185 K186 Y193 G194 V357 N360	T185-F189 HydrophobicContact CG2-CE2 4.32Å; T185-F189 WeakPolarHBondContact O-CB 3.44Å; T185-F189 WeakPolarHBondContact O-CD2 3.48Å; K186-F189 PolarHBondContact O-N 3.02Å; F189-Y193 HydrophobicContact CB-CD2 4.25Å; F189-Y193 AromaticContact CD1-CD2 3.75Å; F189-Y193 HydrophobicContact CD1-CD2 3.75Å; F189-Y193 AromaticContact CD1-CE2 3.93Å; F189-Y193 HydrophobicContact CD1-CE2 3.93Å; F189-Y193 HydrophobicContact CE1-CD2 4.32Å; F189-Y193 HydrophobicContact CE1-CE2 4.08Å; F189-Y193 HydrophobicContact CG-CD2 4.08Å; F189-Y193 HydrophobicContact CG-CE2 4.26Å; F189-Y193 CarbonylContact O-C 3.57Å; F189-Y193 WeakPolarHBondContact O-CA 3.5Å; F189-Y193 VanDerWaalsContact O-CB 3.29Å; F189-Y193 WeakPolarHBondContact O-CB 3.4Å; F189-Y193 PolarHBondContact O-N 3.32Å; F189-G194 PolarHBondContact O-N 3.11Å; F189-V357 HydrophobicContact CB-CG1 4.5Å; F189-V357 VanDerWaalsContact O-CG1 3.32Å; F189-V357 WeakPolarHBondContact O-CG1 3.3Å; F189-N360 HydrophobicContact CB-CB 4.32Å
190	D	94.5	Very high	96.7	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	13%	0.133	C	C	.	.	I	π-helix	trans	-63.1	-64.2	-178.4	-167.1	27	0	0	0	111.8	K186 L192 G194 C195 H353 V357 S361	K186-D190 HydrophobicContact CD-CB 3.9Å; K186-D190 WeakPolarHBondContact CE-OD2 3.45Å; K186-D190 IonicContact NZ-OD2 3.41Å; K186-D190 PolarHBondContact NZ-OD2 2.89Å; K186-D190 WeakPolarHBondContact O-CB 3.3Å; K186-D190 PolarHBondContact O-N 3.4Å; D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 3.31Å; D190-G194 VanDerWaalsContact O-CA 3.24Å; D190-G194 WeakPolarHBondContact O-CA 3.27Å; D190-G194 PolarHBondContact O-N 3.45Å; D190-G194 VanDerWaalsContact O-N 3.1Å; D190-C195 PolarHBondContact O-N 3.16Å; D190-H353 PolarHBondContact O-CE1 3.44Å; D190-H353 PolarHBondContact O-ND1 3.47Å; D190-H353 IonicContact OD1-CE1 3.3Å; D190-H353 PolarHBondContact OD1-CE1 3.37Å; D190-H353 VanDerWaalsContact OD1-CE1 3.24Å; D190-H353 IonicContact OD1-CG 3.78Å; D190-H353 IonicContact OD1-ND1 3.85Å; D190-H353 PolarHBondContact OD1-ND1 2.98Å; D190-V357 VanDerWaalsContact CA-CG1 3.45Å; D190-V357 HydrophobicContact CB-CG1 4.36Å; D190-S361 WeakPolarHBondContact CB-OG 3.39Å
191	N	92.4	Very high	96.8	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	15%	0.147	C	C	.	.	I	π-helix	trans	-67.6	-37.1	-173.2	-51.9	-10.3	0	0	0	110.9	K186 S187 C195 D223 V224	K186-N191 PolarHBondContact NZ-OD1 3.16Å; S187-N191 VanDerWaalsContact O-CB 3.27Å; S187-N191 WeakPolarHBondContact O-CB 3.36Å; S187-N191 PolarHBondContact O-N 2.97Å; N191-C195 VanDerWaalsContact O-CB 3.27Å; N191-C195 WeakPolarHBondContact O-CB 3.49Å; N191-C195 PolarHBondContact O-SG 3.18Å; N191-C195 VanDerWaalsContact O-SG 3.32Å; N191-D223 HydrophobicContact CB-CB 3.79Å; N191-V224 HydrophobicContact CB-CG2 3.87Å; N191-V224 VanDerWaalsContact O-CA 3.29Å; N191-V224 WeakPolarHBondContact O-CA 3.2Å
192	L	96.8	Very high	97	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.131	15%	0.146	C	C	.	.	I	π-helix	trans	-86.9	-65.3	-178.2	176.7	66.2	0	0	0	112.9	K188 D190 R196 D223 K226 G227	K188-L192 WeakPolarHBondContact O-CB 3.49Å; D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 3.31Å; L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.46Å; L192-R196 PolarHBondContact O-N 2.8Å; L192-R196 VanDerWaalsContact O-N 3.09Å; L192-D223 WeakPolarHBondContact CA-O 3.49Å; L192-D223 HydrophobicContact CB-CB 4.35Å; L192-D223 WeakPolarHBondContact CD1-O 3.42Å; L192-K226 HydrophobicContact CD1-CB 3.68Å; L192-G227 WeakPolarHBondContact O-CA 3.44Å
193	Y	98.2	Very high	97.2	Very high	82 Å²	82	27.2 Å²	27.2	32%	0.322	13%	0.127	S	C	.	.	I	π-helix	trans	-74.7	-34.9	-173.6	-54.3	-43.2	0	0	0	112.2	K188 F189 R196 E197	K188-Y193 VanDerWaalsContact O-CD2 3.27Å; K188-Y193 WeakPolarHBondContact O-CD2 3.26Å; K188-Y193 WeakPolarHBondContact O-CE2 3.39Å; F189-Y193 HydrophobicContact CB-CD2 4.25Å; F189-Y193 AromaticContact CD1-CD2 3.75Å; F189-Y193 HydrophobicContact CD1-CD2 3.75Å; F189-Y193 AromaticContact CD1-CE2 3.93Å; F189-Y193 HydrophobicContact CD1-CE2 3.93Å; F189-Y193 HydrophobicContact CE1-CD2 4.32Å; F189-Y193 HydrophobicContact CE1-CE2 4.08Å; F189-Y193 HydrophobicContact CG-CD2 4.08Å; F189-Y193 HydrophobicContact CG-CE2 4.26Å; F189-Y193 CarbonylContact O-C 3.57Å; F189-Y193 WeakPolarHBondContact O-CA 3.5Å; F189-Y193 VanDerWaalsContact O-CB 3.29Å; F189-Y193 WeakPolarHBondContact O-CB 3.4Å; F189-Y193 PolarHBondContact O-N 3.32Å; Y193-R196 VanDerWaalsContact CD1-NH2 3.34Å; Y193-R196 WeakPolarHBondContact O-CB 3.48Å; Y193-R196 PolarHBondContact O-N 3.34Å; Y193-E197 PolarHBondContact O-N 2.98Å
194	G	97.9	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-64.7	-47.8	176.8	0	0	0	0	0	112.8	F189 D190 R196 E197 S198 H353	F189-G194 PolarHBondContact O-N 3.11Å; D190-G194 VanDerWaalsContact O-CA 3.24Å; D190-G194 WeakPolarHBondContact O-CA 3.27Å; D190-G194 PolarHBondContact O-N 3.45Å; D190-G194 VanDerWaalsContact O-N 3.1Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.4Å; G194-E197 PolarHBondContact O-N 3.17Å; G194-S198 VanDerWaalsContact O-CB 3.32Å; G194-S198 WeakPolarHBondContact O-CB 3.4Å; G194-S198 PolarHBondContact O-N 3.39Å; G194-S198 PolarHBondContact O-OG 2.92Å; G194-H353 VanDerWaalsContact C-CD2 3.41Å; G194-H353 VanDerWaalsContact C-NE2 3.33Å; G194-H353 VanDerWaalsContact CA-CG 3.49Å; G194-H353 WeakPolarHBondContact CA-ND1 3.39Å; G194-H353 PolarHBondContact O-CD2 3.04Å
195	C	98	Very high	97.3	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-31.8	175.7	-64.3	0	0	0	0	112.5	D190 N191 E197 L199 V224 I299 H353	D190-C195 PolarHBondContact O-N 3.16Å; N191-C195 VanDerWaalsContact O-CB 3.27Å; N191-C195 WeakPolarHBondContact O-CB 3.49Å; N191-C195 PolarHBondContact O-SG 3.18Å; N191-C195 VanDerWaalsContact O-SG 3.32Å; C195-E197 PolarHBondContact O-N 2.88Å; C195-L199 VanDerWaalsContact O-CB 3.23Å; C195-L199 WeakPolarHBondContact O-CB 3.37Å; C195-L199 PolarHBondContact O-N 2.93Å; C195-L199 VanDerWaalsContact O-N 3.07Å; C195-V224 HydrophobicContact CB-CG1 4.18Å; C195-I299 HydrophobicContact CB-CD1 4.2Å; C195-H353 PolarHBondContact N-NE2 3.05Å; C195-H353 VanDerWaalsContact SG-CE1 3.59Å; C195-H353 PolarHBondContact SG-NE2 3.49Å
196	R	98.8	Very high	97.3	Very high	80 Å²	80	33.8 Å²	33.8	30%	0.302	15%	0.151	S	C	.	.	H	α-helix	trans	-59.7	-34	173.9	-174.1	173.8	70.4	-171.6	0.7	112.7	L192 Y193 G194 G227 A231	L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.46Å; L192-R196 PolarHBondContact O-N 2.8Å; L192-R196 VanDerWaalsContact O-N 3.09Å; Y193-R196 VanDerWaalsContact CD1-NH2 3.34Å; Y193-R196 WeakPolarHBondContact O-CB 3.48Å; Y193-R196 PolarHBondContact O-N 3.34Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.4Å; R196-G227 WeakPolarHBondContact CA-O 3.46Å; R196-A231 HydrophobicContact CG-CB 4.06Å; R196-A231 WeakPolarHBondContact O-CB 3.38Å
197	E	98.6	Very high	97.4	Very high	119 Å²	119	35.1 Å²	35.1	56%	0.556	16%	0.159	S	C	*	.	H	α-helix	trans	-88	-44.4	177.1	-64.6	-144.1	-143.9	0	0	112.4	Y193 G194 C195 P354	Y193-E197 PolarHBondContact O-N 2.98Å; G194-E197 PolarHBondContact O-N 3.17Å; C195-E197 PolarHBondContact O-N 2.88Å; E197-P354 HydrophobicContact CB-CG 4.37Å
198	S	98.6	Very high	97.6	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-86.1	-21.6	-166.4	67	0	0	0	0	115.2	G194 D201 G202 N346 G352 H353	G194-S198 VanDerWaalsContact O-CB 3.32Å; G194-S198 WeakPolarHBondContact O-CB 3.4Å; G194-S198 PolarHBondContact O-N 3.39Å; G194-S198 PolarHBondContact O-OG 2.92Å; S198-D201 PolarHBondContact O-N 2.88Å; S198-G202 PolarHBondContact O-N 2.96Å; S198-N346 WeakPolarHBondContact OG-CB 3.35Å; S198-N346 PolarHBondContact OG-ND2 3.22Å; S198-G352 WeakPolarHBondContact CB-O 3.15Å; S198-H353 PolarHBondContact OG-CD2 3.45Å; S198-H353 PolarHBondContact OG-NE2 3.41Å
199	L	98.8	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-53.2	175.8	171	67.1	0	0	0	110.9	C195 D201 G202 I203 C228 L232 V273 I299 V345	C195-L199 VanDerWaalsContact O-CB 3.23Å; C195-L199 WeakPolarHBondContact O-CB 3.37Å; C195-L199 PolarHBondContact O-N 2.93Å; C195-L199 VanDerWaalsContact O-N 3.07Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 2.97Å; L199-G202 PolarHBondContact O-N 3.49Å; L199-I203 HydrophobicContact CD1-CD1 3.82Å; L199-I203 HydrophobicContact CD1-CG1 4.33Å; L199-I203 HydrophobicContact CG-CD1 4Å; L199-I203 PolarHBondContact O-N 2.77Å; L199-C228 HydrophobicContact CD2-CB 3.52Å; L199-L232 HydrophobicContact CD2-CD1 4.07Å; L199-L232 HydrophobicContact CD2-CG 4.17Å; L199-V273 HydrophobicContact CD1-CG1 3.66Å; L199-V273 HydrophobicContact CD1-CG2 4.11Å; L199-V273 HydrophobicContact CD2-CG1 4.17Å; L199-V273 HydrophobicContact CD2-CG2 4.17Å; L199-I299 HydrophobicContact CB-CD1 3.88Å; L199-I299 HydrophobicContact CD1-CD1 4.04Å; L199-V345 HydrophobicContact CD1-CG1 3.9Å
200	I	98.7	Very high	98	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-36.5	-176.1	-61.4	-68.8	0	0	0	109.8	G202 I203 K204 I211 A231 L232 F235	I200-G202 PolarHBondContact O-N 2.86Å; I200-I203 PolarHBondContact O-N 3.4Å; I200-K204 HydrophobicContact CG2-CG 3.86Å; I200-K204 WeakPolarHBondContact O-CB 3.18Å; I200-K204 WeakPolarHBondContact O-CG 3.33Å; I200-K204 PolarHBondContact O-N 3.49Å; I200-I211 HydrophobicContact CD1-CD1 4.44Å; I200-I211 HydrophobicContact CD1-CG1 4.35Å; I200-A231 HydrophobicContact CD1-CB 4.47Å; I200-A231 HydrophobicContact CG1-CB 3.81Å; I200-L232 HydrophobicContact CD1-CD2 3.63Å; I200-L232 HydrophobicContact CD1-CG 4.12Å; I200-F235 HydrophobicContact CB-CE2 4.44Å; I200-F235 HydrophobicContact CG1-CD2 4.25Å; I200-F235 HydrophobicContact CG1-CE2 4.4Å; I200-F235 HydrophobicContact CG2-CD2 4.14Å; I200-F235 HydrophobicContact CG2-CE1 4.41Å; I200-F235 HydrophobicContact CG2-CE2 3.82Å; I200-F235 HydrophobicContact CG2-CZ 3.96Å
201	D	98.8	Very high	98.2	Very high	53 Å²	53	42.7 Å²	42.7	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-58.2	-48.2	174.7	-167	21.3	0	0	0	111.4	S198 L199 K204 R205 A350	S198-D201 PolarHBondContact O-N 2.88Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 2.97Å; D201-K204 PolarHBondContact O-N 3.27Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 3.4Å; D201-R205 IonicContact OD1-CZ 2.74Å; D201-R205 IonicContact OD1-NE 2.73Å; D201-R205 PolarHBondContact OD1-NE 3.38Å; D201-R205 IonicContact OD1-NH2 3.71Å; D201-R205 PolarHBondContact OD1-NH2 3.44Å; D201-R205 IonicContact OD2-CZ 2.78Å; D201-R205 IonicContact OD2-NE 3.51Å; D201-R205 PolarHBondContact OD2-NE 2.62Å; D201-R205 VanDerWaalsContact OD2-NE 3.14Å; D201-R205 IonicContact OD2-NH2 3.47Å; D201-R205 PolarHBondContact OD2-NH2 3.09Å; D201-A350 HydrophobicContact CB-CB 4.2Å
202	G	98.7	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-51.5	175.6	0	0	0	0	0	113.1	S198 L199 I200 K204 A206 C349	S198-G202 PolarHBondContact O-N 2.96Å; L199-G202 PolarHBondContact O-N 3.49Å; I200-G202 PolarHBondContact O-N 2.86Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.17Å; G202-A206 VanDerWaalsContact O-CB 3.26Å; G202-A206 WeakPolarHBondContact O-CB 3.33Å; G202-A206 PolarHBondContact O-N 3Å; G202-A206 VanDerWaalsContact O-N 3.09Å; G202-C349 WeakPolarHBondContact O-CB 3.41Å
203	I	98.9	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-42.8	178.9	-67.1	171.9	0	0	0	110.9	L199 I200 A206 T207 V209 I211 I271 V273 L339	L199-I203 HydrophobicContact CD1-CD1 3.82Å; L199-I203 HydrophobicContact CD1-CG1 4.33Å; L199-I203 HydrophobicContact CG-CD1 4Å; L199-I203 PolarHBondContact O-N 2.77Å; I200-I203 PolarHBondContact O-N 3.4Å; I203-A206 PolarHBondContact O-N 3.39Å; I203-T207 PolarHBondContact O-N 3.24Å; I203-T207 PolarHBondContact O-OG1 2.72Å; I203-V209 HydrophobicContact CG2-CG1 3.79Å; I203-I211 HydrophobicContact CG2-CD1 4.15Å; I203-I271 HydrophobicContact CD1-CG2 4.09Å; I203-V273 HydrophobicContact CD1-CG2 4.36Å; I203-L339 HydrophobicContact CG1-CD1 4.19Å
204	K	98.8	Very high	98.6	Very high	65 Å²	65	45.9 Å²	45.9	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-50.8	-178.4	-77.5	-70.3	-167.2	176	0	112	I200 D201 G202 A206 T207 D208 V209	I200-K204 HydrophobicContact CG2-CG 3.86Å; I200-K204 WeakPolarHBondContact O-CB 3.18Å; I200-K204 WeakPolarHBondContact O-CG 3.33Å; I200-K204 PolarHBondContact O-N 3.49Å; D201-K204 PolarHBondContact O-N 3.27Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.17Å; K204-A206 PolarHBondContact O-N 2.82Å; K204-T207 PolarHBondContact O-N 2.93Å; K204-D208 WeakPolarHBondContact O-CA 3.17Å; K204-D208 PolarHBondContact O-N 3.18Å; K204-V209 WeakPolarHBondContact CE-O 3.39Å; K204-V209 PolarHBondContact NZ-O 2.96Å
205	R	98.4	Very high	98.7	Very high	107 Å²	107	46.7 Å²	46.7	40%	0.404	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-31.8	177.7	-68.9	178.9	-161.5	-121.6	5.6	112.4	D201 K322 C349 H351	D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 3.4Å; D201-R205 IonicContact OD1-CZ 2.74Å; D201-R205 IonicContact OD1-NE 2.73Å; D201-R205 PolarHBondContact OD1-NE 3.38Å; D201-R205 IonicContact OD1-NH2 3.71Å; D201-R205 PolarHBondContact OD1-NH2 3.44Å; D201-R205 IonicContact OD2-CZ 2.78Å; D201-R205 IonicContact OD2-NE 3.51Å; D201-R205 PolarHBondContact OD2-NE 2.62Å; D201-R205 VanDerWaalsContact OD2-NE 3.14Å; D201-R205 IonicContact OD2-NH2 3.47Å; D201-R205 PolarHBondContact OD2-NH2 3.09Å; R205-K322 PolarHBondContact O-NZ 3.1Å; R205-C349 WeakPolarHBondContact CB-O 3.4Å; R205-C349 WeakPolarHBondContact CD-O 3.37Å; R205-H351 VanDerWaalsContact CZ-ND1 3.29Å; R205-H351 PolarHBondContact NH1-CE1 3.46Å; R205-H351 PolarHBondContact NH1-ND1 3.23Å; R205-H351 PolarHBondContact NH2-ND1 3.33Å
206	A	98.6	Very high	98.7	Very high	7 Å²	7	46.4 Å²	46.4	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-72.5	-44.7	176.5	0	0	0	0	0	112.6	G202 I203 K204 K322 V325 L339 C349	G202-A206 VanDerWaalsContact O-CB 3.26Å; G202-A206 WeakPolarHBondContact O-CB 3.33Å; G202-A206 PolarHBondContact O-N 3Å; G202-A206 VanDerWaalsContact O-N 3.09Å; I203-A206 PolarHBondContact O-N 3.39Å; K204-A206 PolarHBondContact O-N 2.82Å; A206-K322 WeakPolarHBondContact O-CE 3.27Å; A206-K322 PolarHBondContact O-NZ 3.37Å; A206-V325 HydrophobicContact CB-CG2 3.74Å; A206-L339 HydrophobicContact CB-CD1 3.91Å; A206-L339 HydrophobicContact CB-CD2 3.75Å; A206-L339 HydrophobicContact CB-CG 4.4Å; A206-C349 HydrophobicContact CB-CB 4.13Å
207	T	98.7	Very high	98.7	Very high	33 Å²	33	42.7 Å²	42.7	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-127.9	-13.8	-162.2	65.5	0	0	0	0	115.7	I203 K204 V209 I295 I337 L339	I203-T207 PolarHBondContact O-N 3.24Å; I203-T207 PolarHBondContact O-OG1 2.72Å; K204-T207 PolarHBondContact O-N 2.93Å; T207-V209 PolarHBondContact O-N 3.2Å; T207-V209 WeakPolarHBondContact OG1-CB 3.26Å; T207-V209 VanDerWaalsContact OG1-CG1 3.23Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.43Å; T207-V209 PolarHBondContact OG1-N 3.1Å; T207-I295 HydrophobicContact CG2-CD1 3.91Å; T207-I295 HydrophobicContact CG2-CG1 4.29Å; T207-I295 HydrophobicContact CG2-CG2 4.46Å; T207-I337 HydrophobicContact CG2-CG2 4.21Å; T207-L339 HydrophobicContact CG2-CD1 4.39Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å
208	D	98.5	Very high	98.7	Very high	126 Å²	126	37 Å²	37	67%	0.674	21%	0.207	S	C	*	.			trans	53.3	15.2	-171.6	-63.4	-74.7	0	0	0	114.1	K204	K204-D208 WeakPolarHBondContact O-CA 3.17Å; K204-D208 PolarHBondContact O-N 3.18Å
209	V	98.8	Very high	98.7	Very high	30 Å²	30	36.9 Å²	36.9	18%	0.182	21%	0.207	C	C	.	.			trans	-64.6	144.9	-169.6	73.8	0	0	0	0	112.3	I203 K204 T207 I211 I271 I295	I203-V209 HydrophobicContact CG2-CG1 3.79Å; K204-V209 WeakPolarHBondContact CE-O 3.39Å; K204-V209 PolarHBondContact NZ-O 2.96Å; T207-V209 PolarHBondContact O-N 3.2Å; T207-V209 WeakPolarHBondContact OG1-CB 3.26Å; T207-V209 VanDerWaalsContact OG1-CG1 3.23Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.43Å; T207-V209 PolarHBondContact OG1-N 3.1Å; V209-I211 HydrophobicContact CG1-CD1 3.84Å; V209-I211 PolarHBondContact O-N 3.49Å; V209-I271 HydrophobicContact CG1-CD1 4.35Å; V209-I295 HydrophobicContact CB-CD1 3.81Å; V209-I295 HydrophobicContact CG1-CD1 3.7Å; V209-I295 HydrophobicContact CG2-CD1 3.86Å
210	M	98.7	Very high	98.7	Very high	131 Å²	131	37.2 Å²	37.2	65%	0.645	21%	0.21	S	C	*	.			trans	-73.6	120.5	166.2	-175.4	167.7	-178.4	0	0	109.9	A212 K214	M210-A212 HydrophobicContact CE-CB 3.7Å; M210-A212 HydrophobicContact CG-CB 4.26Å; M210-K214 WeakPolarHBondContact O-CG 3.36Å
211	I	98.8	Very high	98.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.209	C	C	.	.			trans	-81.2	-38.1	176.4	-54.4	-62.9	0	0	0	111	I200 I203 V209 G213 K214 L232 F235 I271	I200-I211 HydrophobicContact CD1-CD1 4.44Å; I200-I211 HydrophobicContact CD1-CG1 4.35Å; I203-I211 HydrophobicContact CG2-CD1 4.15Å; V209-I211 HydrophobicContact CG1-CD1 3.84Å; V209-I211 PolarHBondContact O-N 3.49Å; I211-G213 PolarHBondContact O-N 2.98Å; I211-K214 VanDerWaalsContact O-CB 3.29Å; I211-K214 WeakPolarHBondContact O-CB 3.47Å; I211-K214 PolarHBondContact O-N 3.48Å; I211-L232 HydrophobicContact CG2-CD2 4.07Å; I211-F235 HydrophobicContact CB-CB 3.88Å; I211-F235 HydrophobicContact CG1-CB 4.45Å; I211-F235 HydrophobicContact CG2-CB 3.73Å; I211-I271 HydrophobicContact CD1-CD1 3.47Å; I211-I271 VanDerWaalsContact CD1-CD1 3.47Å
212	A	98.7	Very high	98.6	Very high	40 Å²	40	36 Å²	36	33%	0.331	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.2	-179.6	0	0	0	0	0	111.6	M210 K214 F235	M210-A212 HydrophobicContact CE-CB 3.7Å; M210-A212 HydrophobicContact CG-CB 4.26Å; A212-K214 PolarHBondContact O-N 3.46Å; A212-F235 WeakPolarHBondContact CA-O 3.43Å; A212-F235 WeakPolarHBondContact CB-O 3.12Å; A212-F235 PolarHBondContact N-O 3.03Å
213	G	98.3	Very high	98.4	Very high	74 Å²	74	37.6 Å²	37.6	76%	0.763	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	-2.9	-178.4	0	0	0	0	0	114.9	I211 G236	I211-G213 PolarHBondContact O-N 2.98Å; G213-G236 PolarHBondContact N-O 3.11Å
214	K	98.7	Very high	98.3	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	23%	0.226	S	C	.	.			trans	-80.8	153	170.7	-61.2	-62.2	-174.8	-175.8	0	111	M210 I211 A212 G237 R238 I271	M210-K214 WeakPolarHBondContact O-CG 3.36Å; I211-K214 VanDerWaalsContact O-CB 3.29Å; I211-K214 WeakPolarHBondContact O-CB 3.47Å; I211-K214 PolarHBondContact O-N 3.48Å; A212-K214 PolarHBondContact O-N 3.46Å; K214-G237 CarbonylContact O-C 3.52Å; K214-G237 WeakPolarHBondContact O-CA 3.46Å; K214-R238 PolarHBondContact O-N 2.92Å; K214-I271 HydrophobicContact CB-CD1 4.36Å; K214-I271 HydrophobicContact CG-CD1 4.45Å
215	V	98.9	Very high	98.3	Very high	18 Å²	18	35.8 Å²	35.8	11%	0.109	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.7	165.6	-176.4	0	0	0	0	107.5	R238 I240 E268 A269 S270 I271	V215-R238 CarbonylContact C-O 3.52Å; V215-R238 WeakPolarHBondContact CA-O 3.23Å; V215-I240 HydrophobicContact CG1-CD1 3.41Å; V215-I240 VanDerWaalsContact CG1-CD1 3.41Å; V215-I240 HydrophobicContact CG1-CG1 4.13Å; V215-E268 HydrophobicContact CG1-CG 4.26Å; V215-A269 HydrophobicContact CB-CB 4.48Å; V215-A269 HydrophobicContact CG1-CB 3.99Å; V215-S270 PolarHBondContact O-N 3.42Å; V215-I271 PolarHBondContact O-N 3.46Å
216	C	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.5	-174.7	-51.8	0	0	0	0	109.5	L232 R238 V239 I240 I271	C216-L232 HydrophobicContact CB-CB 4.36Å; C216-L232 HydrophobicContact CB-CD1 3.9Å; C216-L232 HydrophobicContact CB-CD2 4.11Å; C216-L232 HydrophobicContact CB-CG 4.36Å; C216-R238 PolarHBondContact N-O 2.95Å; C216-V239 HydrophobicContact CB-CG2 4.49Å; C216-V239 CarbonylContact O-C 3.5Å; C216-V239 VanDerWaalsContact O-CA 3.3Å; C216-V239 WeakPolarHBondContact O-CA 3.32Å; C216-I240 PolarHBondContact O-N 2.82Å; C216-I271 CarbonylContact C-O 3.59Å; C216-I271 WeakPolarHBondContact CA-O 3.38Å; C216-I271 HydrophobicContact CB-CB 4.34Å
217	C	98.9	Very high	98.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.3	175.2	-176.9	0	0	0	0	109.9	I240 A265 A269 I271 F272 V273	C217-I240 CarbonylContact C-O 3.52Å; C217-I240 WeakPolarHBondContact CA-O 3.39Å; C217-A265 HydrophobicContact CB-CB 4.21Å; C217-A269 HydrophobicContact CB-CB 3.7Å; C217-I271 PolarHBondContact N-O 3.39Å; C217-F272 HydrophobicContact CB-CD1 3.68Å; C217-F272 HydrophobicContact CB-CE1 3.97Å; C217-F272 HydrophobicContact CB-CG 4.47Å; C217-F272 WeakPolarHBondContact O-CA 3.28Å; C217-V273 PolarHBondContact O-N 2.86Å
218	V	99	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.1	172.3	-177.7	0	0	0	0	108.3	C228 A229 L232 V239 I240 V241 T242 V273 T275	V218-C228 HydrophobicContact CG1-CB 4.1Å; V218-C228 HydrophobicContact CG2-CB 4.42Å; V218-A229 HydrophobicContact CG2-CB 4.48Å; V218-L232 HydrophobicContact CG2-CD1 3.54Å; V218-V239 HydrophobicContact CG2-CG1 4.07Å; V218-I240 PolarHBondContact N-O 3.43Å; V218-V241 WeakPolarHBondContact O-CA 3.26Å; V218-T242 PolarHBondContact O-N 3.34Å; V218-T242 VanDerWaalsContact O-N 3.11Å; V218-V273 WeakPolarHBondContact CA-O 3.49Å; V218-T275 HydrophobicContact CG1-CG2 3.89Å
219	A	98.9	Very high	98.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.4	177.9	0	0	0	0	0	110.8	T242 M262 V273 T275 T276 I281	A219-T242 VanDerWaalsContact CA-OG1 3.27Å; A219-T242 WeakPolarHBondContact CA-OG1 3.43Å; A219-T242 WeakPolarHBondContact CB-OG1 3.5Å; A219-M262 HydrophobicContact CB-CE 3.69Å; A219-V273 PolarHBondContact N-O 3.06Å; A219-T275 WeakPolarHBondContact O-CA 3.2Å; A219-T275 WeakPolarHBondContact O-CB 3.3Å; A219-T275 PolarHBondContact O-N 3.13Å; A219-T275 PolarHBondContact O-OG1 2.86Å; A219-T276 HydrophobicContact CB-CG2 4.09Å; A219-T276 VanDerWaalsContact O-CG2 3.27Å; A219-T276 WeakPolarHBondContact O-CG2 3.49Å; A219-I281 HydrophobicContact CB-CG2 3.5Å; A219-I281 VanDerWaalsContact CB-CG2 3.5Å
220	G	98.6	Very high	98.3	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	17%	0.169	C	C	.	.			trans	92.1	138.7	-171	0	0	0	0	0	111.7	G225 T242 T275	G220-G225 WeakPolarHBondContact O-CA 3.47Å; G220-T242 PolarHBondContact N-O 3.05Å; G220-T275 PolarHBondContact O-OG1 3.37Å
221	Y	98.7	Very high	98.3	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.039	14%	0.141	C	C	.	.			trans	-130.5	37.1	179.2	-158	-108.7	0	0	0	111.7	K226 A229 V241 E243 N248 Q251 A252 Y257	Y221-K226 HydrophobicContact CD1-CG 3.84Å; Y221-K226 HydrophobicContact CD2-CG 4.29Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.56Å; Y221-K226 HydrophobicContact CE2-CG 4.04Å; Y221-K226 HydrophobicContact CG-CG 4.2Å; Y221-K226 PolarHBondContact O-NZ 3.03Å; Y221-A229 HydrophobicContact CD2-CB 4.42Å; Y221-A229 HydrophobicContact CE2-CB 3.73Å; Y221-V241 HydrophobicContact CD2-CG1 3.95Å; Y221-V241 HydrophobicContact CD2-CG2 3.81Å; Y221-V241 HydrophobicContact CE2-CG2 4.09Å; Y221-V241 HydrophobicContact CG-CG1 4.04Å; Y221-E243 PolarHBondContact N-OE1 2.63Å; Y221-N248 WeakPolarHBondContact CD1-O 3.45Å; Y221-Q251 HydrophobicContact CD1-CB 4.39Å; Y221-Q251 HydrophobicContact CE1-CB 4.13Å; Y221-A252 HydrophobicContact CD1-CB 3.63Å; Y221-A252 HydrophobicContact CD2-CB 4.14Å; Y221-A252 VanDerWaalsContact CE1-CA 3.44Å; Y221-A252 HydrophobicContact CE1-CB 3.65Å; Y221-A252 HydrophobicContact CE2-CB 4.16Å; Y221-A252 HydrophobicContact CG-CB 3.88Å; Y221-Y257 HydrophobicContact CE2-CD2 4.1Å; Y221-Y257 HydrophobicContact CE2-CE2 4.12Å; Y221-Y257 AromaticContact CZ-CE2 3.99Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.39Å
222	G	96	Very high	98.3	Very high	28 Å²	28	21.7 Å²	21.7	29%	0.289	14%	0.141	S	C	.	.	S	Bend	trans	-68.3	-162.4	161.9	0	0	0	0	0	112	V224 G225 K226	G222-V224 PolarHBondContact O-N 3Å; G222-G225 PolarHBondContact O-N 3.01Å; G222-K226 WeakPolarHBondContact O-CB 3.32Å; G222-K226 VanDerWaalsContact O-CG 3.23Å; G222-K226 WeakPolarHBondContact O-CG 3.4Å; G222-K226 PolarHBondContact O-N 3.32Å
223	D	95.5	Very high	98.3	Very high	32 Å²	32	24.5 Å²	24.5	17%	0.171	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-40	-177.9	-72.7	-31.5	0	0	0	113	K188 N191 L192 K226 G227	K188-D223 IonicContact NZ-OD1 2.79Å; K188-D223 PolarHBondContact NZ-OD1 3.3Å; K188-D223 IonicContact NZ-OD2 3.66Å; K188-D223 PolarHBondContact NZ-OD2 2.76Å; N191-D223 HydrophobicContact CB-CB 3.79Å; L192-D223 WeakPolarHBondContact CA-O 3.49Å; L192-D223 HydrophobicContact CB-CB 4.35Å; L192-D223 WeakPolarHBondContact CD1-O 3.42Å; D223-K226 PolarHBondContact O-N 3.32Å; D223-G227 PolarHBondContact O-N 3.24Å; D223-G227 VanDerWaalsContact O-N 3.09Å
224	V	95.9	Very high	98.3	Very high	28 Å²	28	24.2 Å²	24.2	17%	0.17	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-57.1	173	179.3	0	0	0	0	110.7	N191 C195 G222 K226 G227 C228 T275 I299	N191-V224 HydrophobicContact CB-CG2 3.87Å; N191-V224 VanDerWaalsContact O-CA 3.29Å; N191-V224 WeakPolarHBondContact O-CA 3.2Å; C195-V224 HydrophobicContact CB-CG1 4.18Å; G222-V224 PolarHBondContact O-N 3Å; V224-K226 VanDerWaalsContact C-N 3.29Å; V224-K226 PolarHBondContact O-N 3.42Å; V224-G227 WeakPolarHBondContact O-CA 3.49Å; V224-G227 PolarHBondContact O-N 2.94Å; V224-C228 PolarHBondContact O-N 3.29Å; V224-C228 PolarHBondContact O-SG 2.91Å; V224-T275 HydrophobicContact CG1-CG2 3.91Å; V224-I299 HydrophobicContact CG1-CG2 3.72Å
225	G	98.4	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-40.2	179	0	0	0	0	0	113.6	G220 G222 C228 A229 T275	G220-G225 WeakPolarHBondContact O-CA 3.47Å; G222-G225 PolarHBondContact O-N 3.01Å; G225-C228 PolarHBondContact O-N 3.01Å; G225-A229 VanDerWaalsContact O-CB 3.26Å; G225-A229 WeakPolarHBondContact O-CB 3.27Å; G225-A229 PolarHBondContact O-N 3.2Å; G225-T275 WeakPolarHBondContact CA-OG1 3.45Å
226	K	98.8	Very high	98.3	Very high	38 Å²	38	27 Å²	27	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173.9	-77.4	173.6	175.8	79.9	0	111.9	L192 Y221 G222 D223 V224 Q230 N248	L192-K226 HydrophobicContact CD1-CB 3.68Å; Y221-K226 HydrophobicContact CD1-CG 3.84Å; Y221-K226 HydrophobicContact CD2-CG 4.29Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.56Å; Y221-K226 HydrophobicContact CE2-CG 4.04Å; Y221-K226 HydrophobicContact CG-CG 4.2Å; Y221-K226 PolarHBondContact O-NZ 3.03Å; G222-K226 WeakPolarHBondContact O-CB 3.32Å; G222-K226 VanDerWaalsContact O-CG 3.23Å; G222-K226 WeakPolarHBondContact O-CG 3.4Å; G222-K226 PolarHBondContact O-N 3.32Å; D223-K226 PolarHBondContact O-N 3.32Å; V224-K226 VanDerWaalsContact C-N 3.29Å; V224-K226 PolarHBondContact O-N 3.42Å; K226-Q230 WeakPolarHBondContact O-CB 2.97Å; K226-Q230 PolarHBondContact O-N 3.49Å; K226-N248 PolarHBondContact NZ-OD1 2.99Å
227	G	98.5	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-47.2	177.5	0	0	0	0	0	111.8	L192 R196 D223 V224 Q230 A231	L192-G227 WeakPolarHBondContact O-CA 3.44Å; R196-G227 WeakPolarHBondContact CA-O 3.46Å; D223-G227 PolarHBondContact O-N 3.24Å; D223-G227 VanDerWaalsContact O-N 3.09Å; V224-G227 WeakPolarHBondContact O-CA 3.49Å; V224-G227 PolarHBondContact O-N 2.94Å; G227-Q230 PolarHBondContact O-N 3.33Å; G227-A231 WeakPolarHBondContact O-CB 3.5Å; G227-A231 PolarHBondContact O-N 3.44Å
228	C	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-50.3	177.6	-65.9	0	0	0	0	112.5	L199 V218 V224 G225 Q230 A231 L232 T275	L199-C228 HydrophobicContact CD2-CB 3.52Å; V218-C228 HydrophobicContact CG1-CB 4.1Å; V218-C228 HydrophobicContact CG2-CB 4.42Å; V224-C228 PolarHBondContact O-N 3.29Å; V224-C228 PolarHBondContact O-SG 2.91Å; G225-C228 PolarHBondContact O-N 3.01Å; C228-Q230 PolarHBondContact O-N 3.27Å; C228-A231 PolarHBondContact O-N 3.12Å; C228-L232 WeakPolarHBondContact O-CG 3.29Å; C228-L232 PolarHBondContact O-N 3.26Å; C228-T275 HydrophobicContact CB-CG2 4.46Å
229	A	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-44.5	178.8	0	0	0	0	0	111.6	V218 Y221 G225 A231 L232 K233 V239 Y257	V218-A229 HydrophobicContact CG2-CB 4.48Å; Y221-A229 HydrophobicContact CD2-CB 4.42Å; Y221-A229 HydrophobicContact CE2-CB 3.73Å; G225-A229 VanDerWaalsContact O-CB 3.26Å; G225-A229 WeakPolarHBondContact O-CB 3.27Å; G225-A229 PolarHBondContact O-N 3.2Å; A229-A231 VanDerWaalsContact C-N 3.33Å; A229-A231 PolarHBondContact O-N 3.18Å; A229-L232 PolarHBondContact O-N 2.94Å; A229-K233 WeakPolarHBondContact O-CB 3.31Å; A229-K233 PolarHBondContact O-N 3.46Å; A229-V239 HydrophobicContact CB-CG1 3.91Å; A229-Y257 HydrophobicContact CB-CE1 4.21Å; A229-Y257 HydrophobicContact CB-CE2 4.19Å; A229-Y257 PolarHBondContact O-OH 2.96Å
230	Q	98.9	Very high	98.3	Very high	94 Å²	94	32.9 Å²	32.9	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-41.4	177.1	-171	175.6	24.9	0	0	111.9	K226 G227 C228 G234	K226-Q230 WeakPolarHBondContact O-CB 2.97Å; K226-Q230 PolarHBondContact O-N 3.49Å; G227-Q230 PolarHBondContact O-N 3.33Å; C228-Q230 PolarHBondContact O-N 3.27Å; Q230-G234 PolarHBondContact O-N 2.92Å
231	A	98.8	Very high	98.3	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-49.9	178.8	0	0	0	0	0	112.2	R196 I200 G227 C228 A229 K233 G234 F235	R196-A231 HydrophobicContact CG-CB 4.06Å; R196-A231 WeakPolarHBondContact O-CB 3.38Å; I200-A231 HydrophobicContact CD1-CB 4.47Å; I200-A231 HydrophobicContact CG1-CB 3.81Å; G227-A231 WeakPolarHBondContact O-CB 3.5Å; G227-A231 PolarHBondContact O-N 3.44Å; C228-A231 PolarHBondContact O-N 3.12Å; A229-A231 VanDerWaalsContact C-N 3.33Å; A229-A231 PolarHBondContact O-N 3.18Å; A231-K233 PolarHBondContact O-N 3.07Å; A231-G234 PolarHBondContact O-N 3.41Å; A231-F235 PolarHBondContact O-N 3.38Å; A231-F235 VanDerWaalsContact O-N 3.12Å
232	L	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-44.5	180	-71.2	161.6	0	0	0	111.5	L199 I200 I211 C216 V218 C228 A229 G234 F235 G236 G237 V239 V273	L199-L232 HydrophobicContact CD2-CD1 4.07Å; L199-L232 HydrophobicContact CD2-CG 4.17Å; I200-L232 HydrophobicContact CD1-CD2 3.63Å; I200-L232 HydrophobicContact CD1-CG 4.12Å; I211-L232 HydrophobicContact CG2-CD2 4.07Å; C216-L232 HydrophobicContact CB-CB 4.36Å; C216-L232 HydrophobicContact CB-CD1 3.9Å; C216-L232 HydrophobicContact CB-CD2 4.11Å; C216-L232 HydrophobicContact CB-CG 4.36Å; V218-L232 HydrophobicContact CG2-CD1 3.54Å; C228-L232 WeakPolarHBondContact O-CG 3.29Å; C228-L232 PolarHBondContact O-N 3.26Å; A229-L232 PolarHBondContact O-N 2.94Å; L232-G234 VanDerWaalsContact C-N 3.34Å; L232-G234 PolarHBondContact O-N 2.8Å; L232-F235 PolarHBondContact O-N 3.23Å; L232-G236 PolarHBondContact O-N 3.42Å; L232-G237 PolarHBondContact O-N 3.24Å; L232-V239 HydrophobicContact CB-CG2 3.6Å; L232-V273 HydrophobicContact CD1-CG2 4.27Å
233	K	98.7	Very high	98.5	Very high	99 Å²	99	33.9 Å²	33.9	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-41.9	174.2	-175.9	175	-178.7	174.7	0	111.5	A229 A231 F235 G236 V239 E255 Y257	A229-K233 WeakPolarHBondContact O-CB 3.31Å; A229-K233 PolarHBondContact O-N 3.46Å; A231-K233 PolarHBondContact O-N 3.07Å; K233-F235 PolarHBondContact O-N 3.33Å; K233-G236 PolarHBondContact O-N 3.48Å; K233-V239 HydrophobicContact CB-CG2 4.11Å; K233-E255 PolarHBondContact NZ-O 2.87Å; K233-Y257 HydrophobicContact CB-CE1 4.15Å; K233-Y257 HydrophobicContact CD-CE1 3.61Å; K233-Y257 WeakPolarHBondContact CD-OH 3.19Å; K233-Y257 HydrophobicContact CG-CE1 4.41Å
234	G	98.7	Very high	98.6	Very high	67 Å²	67	39.2 Å²	39.2	69%	0.691	22%	0.221	S	C	*	.	H	α-helix	trans	-60.3	-30.1	177.6	0	0	0	0	0	113.9	Q230 A231 L232 G236	Q230-G234 PolarHBondContact O-N 2.92Å; A231-G234 PolarHBondContact O-N 3.41Å; L232-G234 VanDerWaalsContact C-N 3.34Å; L232-G234 PolarHBondContact O-N 2.8Å; G234-G236 VanDerWaalsContact C-N 3.33Å
235	F	98.6	Very high	98.8	Very high	112 Å²	112	40.8 Å²	40.8	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.9	173.2	-88.9	-94.5	0	0	0	114.2	I200 I211 A212 A231 L232 K233	I200-F235 HydrophobicContact CB-CE2 4.44Å; I200-F235 HydrophobicContact CG1-CD2 4.25Å; I200-F235 HydrophobicContact CG1-CE2 4.4Å; I200-F235 HydrophobicContact CG2-CD2 4.14Å; I200-F235 HydrophobicContact CG2-CE1 4.41Å; I200-F235 HydrophobicContact CG2-CE2 3.82Å; I200-F235 HydrophobicContact CG2-CZ 3.96Å; I211-F235 HydrophobicContact CB-CB 3.88Å; I211-F235 HydrophobicContact CG1-CB 4.45Å; I211-F235 HydrophobicContact CG2-CB 3.73Å; A212-F235 WeakPolarHBondContact CA-O 3.43Å; A212-F235 WeakPolarHBondContact CB-O 3.12Å; A212-F235 PolarHBondContact N-O 3.03Å; A231-F235 PolarHBondContact O-N 3.38Å; A231-F235 VanDerWaalsContact O-N 3.12Å; L232-F235 PolarHBondContact O-N 3.23Å; K233-F235 PolarHBondContact O-N 3.33Å
236	G	98.6	Very high	98.8	Very high	43 Å²	43	45.6 Å²	45.6	44%	0.443	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	17.9	178.2	0	0	0	0	0	115	G213 L232 K233 G234	G213-G236 PolarHBondContact N-O 3.11Å; L232-G236 PolarHBondContact O-N 3.42Å; K233-G236 PolarHBondContact O-N 3.48Å; G234-G236 VanDerWaalsContact C-N 3.33Å
237	G	98.8	Very high	98.8	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	28%	0.28	C	S	.	.			trans	-76	141.3	169.8	0	0	0	0	0	111.8	K214 L232 V239	K214-G237 CarbonylContact O-C 3.52Å; K214-G237 WeakPolarHBondContact O-CA 3.46Å; L232-G237 PolarHBondContact O-N 3.24Å; G237-V239 PolarHBondContact O-N 2.9Å
238	R	98.9	Very high	98.8	Very high	110 Å²	110	50.8 Å²	50.8	42%	0.415	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	106.8	166.4	176.5	166.6	65.7	89.2	-8.6	108	K214 V215 C216 E258 E268	K214-R238 PolarHBondContact O-N 2.92Å; V215-R238 CarbonylContact C-O 3.52Å; V215-R238 WeakPolarHBondContact CA-O 3.23Å; C216-R238 PolarHBondContact N-O 2.95Å; R238-E258 IonicContact NH1-OE2 2.77Å; R238-E268 IonicContact CZ-OE1 3.59Å; R238-E268 IonicContact CZ-OE2 3.24Å; R238-E268 IonicContact NH1-OE1 3.76Å; R238-E268 PolarHBondContact NH1-OE1 2.87Å; R238-E268 IonicContact NH1-OE2 3.79Å; R238-E268 PolarHBondContact NH1-OE2 2.78Å; R238-E268 IonicContact NH2-OE1 3.14Å; R238-E268 IonicContact NH2-OE2 2.63Å; R238-E268 PolarHBondContact NH2-OE2 2.82Å
239	V	98.9	Very high	98.8	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.9	-174.6	179.5	0	0	0	0	111.2	C216 V218 A229 L232 K233 G237 V241 Y257	C216-V239 HydrophobicContact CB-CG2 4.49Å; C216-V239 CarbonylContact O-C 3.5Å; C216-V239 VanDerWaalsContact O-CA 3.3Å; C216-V239 WeakPolarHBondContact O-CA 3.32Å; V218-V239 HydrophobicContact CG2-CG1 4.07Å; A229-V239 HydrophobicContact CB-CG1 3.91Å; L232-V239 HydrophobicContact CB-CG2 3.6Å; K233-V239 HydrophobicContact CB-CG2 4.11Å; G237-V239 PolarHBondContact O-N 2.9Å; V239-V241 HydrophobicContact CG1-CG2 4.37Å; V239-Y257 HydrophobicContact CB-CD1 3.6Å; V239-Y257 HydrophobicContact CB-CE1 3.64Å; V239-Y257 HydrophobicContact CG1-CD1 3.76Å; V239-Y257 HydrophobicContact CG1-CE1 3.88Å; V239-Y257 HydrophobicContact CG2-CE1 4.21Å
240	I	98.9	Very high	98.8	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.4	170.9	-58.4	169.7	0	0	0	107.5	V215 C216 C217 V218 E258 T260 A265 E268	V215-I240 HydrophobicContact CG1-CD1 3.41Å; V215-I240 VanDerWaalsContact CG1-CD1 3.41Å; V215-I240 HydrophobicContact CG1-CG1 4.13Å; C216-I240 PolarHBondContact O-N 2.82Å; C217-I240 CarbonylContact C-O 3.52Å; C217-I240 WeakPolarHBondContact CA-O 3.39Å; V218-I240 PolarHBondContact N-O 3.43Å; I240-E258 WeakPolarHBondContact CA-O 3.35Å; I240-E258 HydrophobicContact CG1-CB 4.46Å; I240-T260 HydrophobicContact CG2-CG2 3.53Å; I240-A265 HydrophobicContact CG2-CB 4.12Å; I240-E268 HydrophobicContact CD1-CG 4.14Å; I240-E268 WeakPolarHBondContact CD1-OE1 3.44Å
241	V	99	Very high	98.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.5	178.7	173.5	0	0	0	0	109.9	V218 Y221 V239 E243 A252 Y257 E258 V259 T260	V218-V241 WeakPolarHBondContact O-CA 3.26Å; Y221-V241 HydrophobicContact CD2-CG1 3.95Å; Y221-V241 HydrophobicContact CD2-CG2 3.81Å; Y221-V241 HydrophobicContact CE2-CG2 4.09Å; Y221-V241 HydrophobicContact CG-CG1 4.04Å; V239-V241 HydrophobicContact CG1-CG2 4.37Å; V241-E243 HydrophobicContact CG1-CG 4.46Å; V241-A252 HydrophobicContact CB-CB 4.16Å; V241-A252 HydrophobicContact CG1-CB 3.98Å; V241-A252 HydrophobicContact CG2-CB 4.15Å; V241-Y257 HydrophobicContact CG2-CG 4.2Å; V241-E258 PolarHBondContact N-O 3.42Å; V241-V259 HydrophobicContact CB-CG2 4.42Å; V241-V259 VanDerWaalsContact O-CA 3.31Å; V241-V259 WeakPolarHBondContact O-CA 3.37Å; V241-T260 PolarHBondContact O-N 2.93Å
242	T	98.9	Very high	98.8	Very high	17 Å²	17	56.2 Å²	56.2	10%	0.104	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134	164.7	74.8	0	0	0	0	109.5	V218 A219 G220 T260 M262	V218-T242 PolarHBondContact O-N 3.34Å; V218-T242 VanDerWaalsContact O-N 3.11Å; A219-T242 VanDerWaalsContact CA-OG1 3.27Å; A219-T242 WeakPolarHBondContact CA-OG1 3.43Å; A219-T242 WeakPolarHBondContact CB-OG1 3.5Å; G220-T242 PolarHBondContact N-O 3.05Å; T242-T260 WeakPolarHBondContact CA-O 3Å; T242-T260 WeakPolarHBondContact CB-O 3.37Å; T242-T260 WeakPolarHBondContact CG2-O 3.37Å; T242-M262 HydrophobicContact CG2-CB 4.43Å; T242-M262 HydrophobicContact CG2-CE 4.17Å
243	E	98.8	Very high	98.8	Very high	48 Å²	48	58.6 Å²	58.6	22%	0.224	34%	0.338	C	S	.	.			trans	-146.4	147.6	178.9	-108.2	-66.9	-167.8	0	0	112.1	Y221 V241 D245 N248 A249	Y221-E243 PolarHBondContact N-OE1 2.63Å; V241-E243 HydrophobicContact CG1-CG 4.46Å; E243-D245 PolarHBondContact OE2-N 3.34Å; E243-N248 HydrophobicContact CG-CB 3.86Å; E243-N248 WeakPolarHBondContact OE1-CB 3.19Å; E243-N248 PolarHBondContact OE1-ND2 3.01Å; E243-A249 HydrophobicContact CB-CB 3.97Å
244	V	98.5	Very high	98.8	Very high	144 Å²	144	60.8 Å²	60.8	87%	0.873	35%	0.351	S	S	*	.	S	Bend	trans	-98.2	-26.7	169.7	-59.6	0	0	0	0	111.5
245	D	98.7	Very high	98.8	Very high	61 Å²	61	63.1 Å²	63.1	33%	0.326	34%	0.344	S	S	.	.			trans	-85.1	118.6	178.1	-173	-39.8	0	0	0	110.4	E243 I247 N248 A249	E243-D245 PolarHBondContact OE2-N 3.34Å; D245-I247 VanDerWaalsContact C-N 3.28Å; D245-I247 PolarHBondContact O-N 3.22Å; D245-I247 WeakPolarHBondContact OD1-CA 2.92Å; D245-I247 VanDerWaalsContact OD1-CB 3.27Å; D245-I247 WeakPolarHBondContact OD1-CB 3.42Å; D245-I247 PolarHBondContact OD1-N 2.89Å; D245-N248 HydrophobicContact CB-CB 4.19Å; D245-N248 PolarHBondContact O-N 3.11Å; D245-N248 PolarHBondContact OD1-N 2.91Å; D245-A249 WeakPolarHBondContact O-CB 3.22Å; D245-A249 PolarHBondContact O-N 3.36Å
246	P	98.7	Very high	98.8	Very high	101 Å²	101	60.8 Å²	60.8	66%	0.656	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-25.5	-178.2	27.5	-35.2	0	0	0	113.8	L250	P246-L250 VanDerWaalsContact O-CB 3.27Å; P246-L250 WeakPolarHBondContact O-CB 3.39Å; P246-L250 PolarHBondContact O-N 3.09Å
247	I	98.8	Very high	98.8	Very high	114 Å²	114	59.7 Å²	59.7	59%	0.585	34%	0.335	S	S	*	.	H	α-helix	trans	-69.4	-48.5	175.9	-59.7	174.1	0	0	0	109.2	D245 L250 Q251	D245-I247 VanDerWaalsContact C-N 3.28Å; D245-I247 PolarHBondContact O-N 3.22Å; D245-I247 WeakPolarHBondContact OD1-CA 2.92Å; D245-I247 VanDerWaalsContact OD1-CB 3.27Å; D245-I247 WeakPolarHBondContact OD1-CB 3.42Å; D245-I247 PolarHBondContact OD1-N 2.89Å; I247-L250 PolarHBondContact O-N 3.11Å; I247-Q251 WeakPolarHBondContact O-CG 3.46Å; I247-Q251 PolarHBondContact O-N 3.48Å
248	N	98.8	Very high	98.8	Very high	33 Å²	33	64 Å²	64	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-40.9	178.1	-69.4	-32.6	0	0	0	111.4	Y221 K226 E243 D245 L250 Q251 A252	Y221-N248 WeakPolarHBondContact CD1-O 3.45Å; K226-N248 PolarHBondContact NZ-OD1 2.99Å; E243-N248 HydrophobicContact CG-CB 3.86Å; E243-N248 WeakPolarHBondContact OE1-CB 3.19Å; E243-N248 PolarHBondContact OE1-ND2 3.01Å; D245-N248 HydrophobicContact CB-CB 4.19Å; D245-N248 PolarHBondContact O-N 3.11Å; D245-N248 PolarHBondContact OD1-N 2.91Å; N248-L250 VanDerWaalsContact C-N 3.35Å; N248-L250 PolarHBondContact O-N 3.23Å; N248-Q251 WeakPolarHBondContact O-CB 3.33Å; N248-Q251 PolarHBondContact O-N 3.22Å; N248-Q251 PolarHBondContact OD1-OE1 2.91Å; N248-A252 PolarHBondContact O-N 3.45Å
249	A	98.9	Very high	98.8	Very high	20 Å²	20	61.4 Å²	61.4	17%	0.165	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-45.7	174.1	0	0	0	0	0	111.8	E243 D245 Q251 A252 A253 V259	E243-A249 HydrophobicContact CB-CB 3.97Å; D245-A249 WeakPolarHBondContact O-CB 3.22Å; D245-A249 PolarHBondContact O-N 3.36Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 3Å; A249-A252 PolarHBondContact O-N 3.43Å; A249-A253 PolarHBondContact O-N 2.87Å; A249-V259 HydrophobicContact CB-CG1 4.08Å
250	L	98.9	Very high	98.8	Very high	109 Å²	109	62.8 Å²	62.8	57%	0.571	36%	0.358	S	S	*	.	H	α-helix	trans	-63	-41.8	175.9	-178.5	60.3	0	0	0	111.2	P246 I247 N248 A252 A253 M254	P246-L250 VanDerWaalsContact O-CB 3.27Å; P246-L250 WeakPolarHBondContact O-CB 3.39Å; P246-L250 PolarHBondContact O-N 3.09Å; I247-L250 PolarHBondContact O-N 3.11Å; N248-L250 VanDerWaalsContact C-N 3.35Å; N248-L250 PolarHBondContact O-N 3.23Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.38Å; L250-A253 PolarHBondContact O-N 3.04Å; L250-M254 HydrophobicContact CD1-CG 4.15Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CG-CG 4.33Å; L250-M254 WeakPolarHBondContact O-CB 3.49Å; L250-M254 WeakPolarHBondContact O-CG 3.41Å; L250-M254 PolarHBondContact O-N 3.47Å
251	Q	98.9	Very high	98.8	Very high	86 Å²	86	66.1 Å²	66.1	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-43.8	174.1	-73.1	178.8	-31.7	0	0	112	Y221 I247 N248 A249 M254 E255	Y221-Q251 HydrophobicContact CD1-CB 4.39Å; Y221-Q251 HydrophobicContact CE1-CB 4.13Å; I247-Q251 WeakPolarHBondContact O-CG 3.46Å; I247-Q251 PolarHBondContact O-N 3.48Å; N248-Q251 WeakPolarHBondContact O-CB 3.33Å; N248-Q251 PolarHBondContact O-N 3.22Å; N248-Q251 PolarHBondContact OD1-OE1 2.91Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 3Å; Q251-M254 PolarHBondContact O-N 2.96Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 3.41Å
252	A	98.9	Very high	98.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-46.5	176.8	0	0	0	0	0	111.9	Y221 V241 N248 A249 L250 M254 E255 G256 Y257 V259	Y221-A252 HydrophobicContact CD1-CB 3.63Å; Y221-A252 HydrophobicContact CD2-CB 4.14Å; Y221-A252 VanDerWaalsContact CE1-CA 3.44Å; Y221-A252 HydrophobicContact CE1-CB 3.65Å; Y221-A252 HydrophobicContact CE2-CB 4.16Å; Y221-A252 HydrophobicContact CG-CB 3.88Å; V241-A252 HydrophobicContact CB-CB 4.16Å; V241-A252 HydrophobicContact CG1-CB 3.98Å; V241-A252 HydrophobicContact CG2-CB 4.15Å; N248-A252 PolarHBondContact O-N 3.45Å; A249-A252 PolarHBondContact O-N 3.43Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 3.38Å; A252-M254 VanDerWaalsContact C-N 3.31Å; A252-M254 PolarHBondContact O-N 3.04Å; A252-E255 PolarHBondContact O-N 3.35Å; A252-E255 VanDerWaalsContact O-N 3.12Å; A252-G256 PolarHBondContact O-N 3.29Å; A252-Y257 HydrophobicContact CB-CD2 4.38Å; A252-Y257 WeakPolarHBondContact O-CB 3.24Å; A252-Y257 WeakPolarHBondContact O-CD2 3.29Å; A252-Y257 PolarHBondContact O-N 2.96Å; A252-Y257 VanDerWaalsContact O-N 3.11Å; A252-V259 HydrophobicContact CB-CG2 3.75Å
253	A	98.8	Very high	98.8	Very high	51 Å²	51	70.5 Å²	70.5	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-39.7	177.5	0	0	0	0	0	112.1	A249 L250 E255 G256 V259	A249-A253 PolarHBondContact O-N 2.87Å; L250-A253 PolarHBondContact O-N 3.04Å; A253-E255 PolarHBondContact O-N 3.44Å; A253-G256 WeakPolarHBondContact O-CA 3.31Å; A253-G256 PolarHBondContact O-N 3.22Å; A253-V259 HydrophobicContact CB-CG2 4.29Å
254	M	98.7	Very high	98.8	Very high	144 Å²	144	72.7 Å²	72.7	71%	0.709	41%	0.408	S	S	*	.	H	α-helix	trans	-68.3	-20.6	177.7	-67.9	-56.3	-61.4	0	0	113.5	L250 Q251 A252 G256	L250-M254 HydrophobicContact CD1-CG 4.15Å; L250-M254 HydrophobicContact CD1-SD 4.46Å; L250-M254 HydrophobicContact CG-CG 4.33Å; L250-M254 WeakPolarHBondContact O-CB 3.49Å; L250-M254 WeakPolarHBondContact O-CG 3.41Å; L250-M254 PolarHBondContact O-N 3.47Å; Q251-M254 PolarHBondContact O-N 2.96Å; A252-M254 VanDerWaalsContact C-N 3.31Å; A252-M254 PolarHBondContact O-N 3.04Å; M254-G256 VanDerWaalsContact C-N 3.3Å
255	E	98.7	Very high	98.8	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.542	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.4	171.3	-65.5	-60.7	145	0	0	113.1	K233 Q251 A252 A253 Y257	K233-E255 PolarHBondContact NZ-O 2.87Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 3.41Å; A252-E255 PolarHBondContact O-N 3.35Å; A252-E255 VanDerWaalsContact O-N 3.12Å; A253-E255 PolarHBondContact O-N 3.44Å; E255-Y257 HydrophobicContact CB-CD2 3.71Å; E255-Y257 HydrophobicContact CB-CE2 3.55Å; E255-Y257 HydrophobicContact CG-CE2 4.46Å
256	G	98.7	Very high	98.8	Very high	63 Å²	63	63 Å²	63	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	21.4	178.2	0	0	0	0	0	114.5	A252 A253 M254	A252-G256 PolarHBondContact O-N 3.29Å; A253-G256 WeakPolarHBondContact O-CA 3.31Å; A253-G256 PolarHBondContact O-N 3.22Å; M254-G256 VanDerWaalsContact C-N 3.3Å
257	Y	98.9	Very high	98.8	Very high	20 Å²	20	63.1 Å²	63.1	8%	0.078	34%	0.341	C	S	.	.			trans	-84	140.5	170.6	-59.1	-65.1	0	0	0	110.6	Y221 A229 K233 V239 V241 A252 E255	Y221-Y257 HydrophobicContact CE2-CD2 4.1Å; Y221-Y257 HydrophobicContact CE2-CE2 4.12Å; Y221-Y257 AromaticContact CZ-CE2 3.99Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.39Å; A229-Y257 HydrophobicContact CB-CE1 4.21Å; A229-Y257 HydrophobicContact CB-CE2 4.19Å; A229-Y257 PolarHBondContact O-OH 2.96Å; K233-Y257 HydrophobicContact CB-CE1 4.15Å; K233-Y257 HydrophobicContact CD-CE1 3.61Å; K233-Y257 WeakPolarHBondContact CD-OH 3.19Å; K233-Y257 HydrophobicContact CG-CE1 4.41Å; V239-Y257 HydrophobicContact CB-CD1 3.6Å; V239-Y257 HydrophobicContact CB-CE1 3.64Å; V239-Y257 HydrophobicContact CG1-CD1 3.76Å; V239-Y257 HydrophobicContact CG1-CE1 3.88Å; V239-Y257 HydrophobicContact CG2-CE1 4.21Å; V241-Y257 HydrophobicContact CG2-CG 4.2Å; A252-Y257 HydrophobicContact CB-CD2 4.38Å; A252-Y257 WeakPolarHBondContact O-CB 3.24Å; A252-Y257 WeakPolarHBondContact O-CD2 3.29Å; A252-Y257 PolarHBondContact O-N 2.96Å; A252-Y257 VanDerWaalsContact O-N 3.11Å; E255-Y257 HydrophobicContact CB-CD2 3.71Å; E255-Y257 HydrophobicContact CB-CE2 3.55Å; E255-Y257 HydrophobicContact CG-CE2 4.46Å
258	E	98.9	Very high	98.8	Very high	97 Å²	97	61.1 Å²	61.1	45%	0.453	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.7	164.6	179.8	174.8	176.7	0	0	108.9	R238 I240 V241	R238-E258 IonicContact NH1-OE2 2.77Å; I240-E258 WeakPolarHBondContact CA-O 3.35Å; I240-E258 HydrophobicContact CG1-CB 4.46Å; V241-E258 PolarHBondContact N-O 3.42Å
259	V	98.9	Very high	98.8	Very high	56 Å²	56	59.5 Å²	59.5	34%	0.339	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.9	176.1	-172.5	0	0	0	0	108.6	V241 A249 A252 A253	V241-V259 HydrophobicContact CB-CG2 4.42Å; V241-V259 VanDerWaalsContact O-CA 3.31Å; V241-V259 WeakPolarHBondContact O-CA 3.37Å; A249-V259 HydrophobicContact CB-CG1 4.08Å; A252-V259 HydrophobicContact CB-CG2 3.75Å; A253-V259 HydrophobicContact CB-CG2 4.29Å
260	T	98.8	Very high	98.8	Very high	38 Å²	38	60 Å²	60	23%	0.233	32%	0.323	C	S	.	.			trans	-148	-174	-177.1	-166	0	0	0	0	110.6	I240 V241 T242 E264 A265	I240-T260 HydrophobicContact CG2-CG2 3.53Å; V241-T260 PolarHBondContact O-N 2.93Å; T242-T260 WeakPolarHBondContact CA-O 3Å; T242-T260 WeakPolarHBondContact CB-O 3.37Å; T242-T260 WeakPolarHBondContact CG2-O 3.37Å; T260-E264 HydrophobicContact CG2-CB 4.28Å; T260-A265 HydrophobicContact CG2-CB 4.24Å
261	T	98.8	Very high	98.8	Very high	70 Å²	70	54.9 Å²	54.9	43%	0.429	30%	0.297	S	S	.	.			trans	-90.1	163.1	178.7	81	0	0	0	0	112.1	E263 E264 A265	T261-E263 VanDerWaalsContact C-N 3.26Å; T261-E263 WeakPolarHBondContact CB-OE2 3.47Å; T261-E263 PolarHBondContact O-N 3.16Å; T261-E263 PolarHBondContact OG1-N 3.27Å; T261-E263 PolarHBondContact OG1-OE2 2.67Å; T261-E264 PolarHBondContact O-N 2.82Å; T261-A265 WeakPolarHBondContact O-CB 3.4Å; T261-A265 PolarHBondContact O-N 3Å
262	M	98.9	Very high	98.8	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.064	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-31.1	177.2	-173.3	58.1	70.1	0	0	111.7	A219 T242 E264 A265 S266 F272 I281 I282 H286	A219-M262 HydrophobicContact CB-CE 3.69Å; T242-M262 HydrophobicContact CG2-CB 4.43Å; T242-M262 HydrophobicContact CG2-CE 4.17Å; M262-E264 VanDerWaalsContact C-N 3.29Å; M262-E264 PolarHBondContact O-N 2.84Å; M262-A265 PolarHBondContact O-N 3.39Å; M262-S266 WeakPolarHBondContact O-CB 3.31Å; M262-S266 PolarHBondContact O-N 3.36Å; M262-S266 PolarHBondContact O-OG 2.91Å; M262-S266 VanDerWaalsContact O-OG 3.08Å; M262-F272 HydrophobicContact SD-CD1 4Å; M262-F272 HydrophobicContact SD-CE1 4.11Å; M262-I281 HydrophobicContact CE-CG2 4.22Å; M262-I282 HydrophobicContact CE-CG1 4.13Å; M262-I282 HydrophobicContact SD-CG1 4.37Å; M262-H286 HydrophobicContact CG-CB 4.29Å; M262-H286 WeakPolarHBondContact CG-ND1 3.49Å
263	E	98.7	Very high	98.8	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-39.3	175	-61.7	78.6	-176.8	0	0	111.7	T261 S266 K267 H286	T261-E263 VanDerWaalsContact C-N 3.26Å; T261-E263 WeakPolarHBondContact CB-OE2 3.47Å; T261-E263 PolarHBondContact O-N 3.16Å; T261-E263 PolarHBondContact OG1-N 3.27Å; T261-E263 PolarHBondContact OG1-OE2 2.67Å; E263-S266 PolarHBondContact O-OG 2.79Å; E263-K267 VanDerWaalsContact O-CE 3.23Å; E263-K267 WeakPolarHBondContact O-CE 3.42Å; E263-H286 IonicContact OE1-NE2 3.93Å
264	E	98.7	Very high	98.8	Very high	95 Å²	95	48.5 Å²	48.5	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-78.5	-47.9	175.7	-65.2	-52.2	133.7	0	0	112	T260 T261 M262 S266 K267	T260-E264 HydrophobicContact CG2-CB 4.28Å; T261-E264 PolarHBondContact O-N 2.82Å; M262-E264 VanDerWaalsContact C-N 3.29Å; M262-E264 PolarHBondContact O-N 2.84Å; E264-S266 VanDerWaalsContact C-N 3.26Å; E264-S266 PolarHBondContact O-N 3.04Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 2.85Å; E264-K267 VanDerWaalsContact O-N 3.16Å; E264-K267 IonicContact OE1-NZ 3.14Å; E264-K267 PolarHBondContact OE1-NZ 3.11Å; E264-K267 IonicContact OE2-NZ 3.88Å; E264-K267 PolarHBondContact OE2-NZ 3.36Å
265	A	98.7	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-33.1	-178.5	0	0	0	0	0	112.8	C217 I240 T260 T261 M262 K267 E268 A269	C217-A265 HydrophobicContact CB-CB 4.21Å; I240-A265 HydrophobicContact CG2-CB 4.12Å; T260-A265 HydrophobicContact CG2-CB 4.24Å; T261-A265 WeakPolarHBondContact O-CB 3.4Å; T261-A265 PolarHBondContact O-N 3Å; M262-A265 PolarHBondContact O-N 3.39Å; A265-K267 PolarHBondContact O-N 3.23Å; A265-K267 VanDerWaalsContact O-N 3.15Å; A265-E268 PolarHBondContact O-N 3.5Å; A265-A269 WeakPolarHBondContact O-CB 3.49Å; A265-A269 PolarHBondContact O-N 2.84Å
266	S	98.6	Very high	98.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.2	178.7	66.9	0	0	0	0	113.9	M262 E263 E264 Q289 M290	M262-S266 WeakPolarHBondContact O-CB 3.31Å; M262-S266 PolarHBondContact O-N 3.36Å; M262-S266 PolarHBondContact O-OG 2.91Å; M262-S266 VanDerWaalsContact O-OG 3.08Å; E263-S266 PolarHBondContact O-OG 2.79Å; E264-S266 VanDerWaalsContact C-N 3.26Å; E264-S266 PolarHBondContact O-N 3.04Å; S266-Q289 CarbonylContact O-C 3.57Å; S266-M290 VanDerWaalsContact O-CA 3.3Å; S266-M290 WeakPolarHBondContact O-CA 3.31Å; S266-M290 PolarHBondContact O-N 2.88Å
267	K	98.6	Very high	98.3	Very high	104 Å²	104	38.6 Å²	38.6	45%	0.452	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.6	-178.5	-58.9	169.5	-167.7	162.6	0	113	E263 E264 A265 Q289	E263-K267 VanDerWaalsContact O-CE 3.23Å; E263-K267 WeakPolarHBondContact O-CE 3.42Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 2.85Å; E264-K267 VanDerWaalsContact O-N 3.16Å; E264-K267 IonicContact OE1-NZ 3.14Å; E264-K267 PolarHBondContact OE1-NZ 3.11Å; E264-K267 IonicContact OE2-NZ 3.88Å; E264-K267 PolarHBondContact OE2-NZ 3.36Å; A265-K267 PolarHBondContact O-N 3.23Å; A265-K267 VanDerWaalsContact O-N 3.15Å; K267-Q289 HydrophobicContact CG-CB 4.34Å
268	E	98.2	Very high	98	Very high	71 Å²	71	40.8 Å²	40.8	33%	0.332	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-26.1	-172.7	65.2	160.7	-171.5	0	0	116	V215 R238 I240 A265	V215-E268 HydrophobicContact CG1-CG 4.26Å; R238-E268 IonicContact CZ-OE1 3.59Å; R238-E268 IonicContact CZ-OE2 3.24Å; R238-E268 IonicContact NH1-OE1 3.76Å; R238-E268 PolarHBondContact NH1-OE1 2.87Å; R238-E268 IonicContact NH1-OE2 3.79Å; R238-E268 PolarHBondContact NH1-OE2 2.78Å; R238-E268 IonicContact NH2-OE1 3.14Å; R238-E268 IonicContact NH2-OE2 2.63Å; R238-E268 PolarHBondContact NH2-OE2 2.82Å; I240-E268 HydrophobicContact CD1-CG 4.14Å; I240-E268 WeakPolarHBondContact CD1-OE1 3.44Å; A265-E268 PolarHBondContact O-N 3.5Å
269	A	98.8	Very high	97.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-69.5	141.4	-178.6	0	0	0	0	0	111.5	V215 C217 A265 F272 P291	V215-A269 HydrophobicContact CB-CB 4.48Å; V215-A269 HydrophobicContact CG1-CB 3.99Å; C217-A269 HydrophobicContact CB-CB 3.7Å; A265-A269 WeakPolarHBondContact O-CB 3.49Å; A265-A269 PolarHBondContact O-N 2.84Å; A269-F272 HydrophobicContact CB-CD1 4.35Å; A269-F272 HydrophobicContact CB-CE1 3.72Å; A269-F272 HydrophobicContact CB-CE2 4.05Å; A269-F272 HydrophobicContact CB-CZ 3.55Å; A269-F272 WeakPolarHBondContact O-CE2 3.42Å; A269-F272 VanDerWaalsContact O-CZ 3.32Å; A269-F272 WeakPolarHBondContact O-CZ 3.47Å; A269-P291 VanDerWaalsContact O-CD 3.24Å; A269-P291 WeakPolarHBondContact O-CD 3.47Å; A269-P291 WeakPolarHBondContact O-CG 3.4Å
270	S	98.7	Very high	97.8	Very high	31 Å²	31	45 Å²	45	22%	0.217	24%	0.24	C	C	.	.	S	Bend	trans	-101.8	-15.8	175.9	-48.7	0	0	0	0	112.4	V215 I295	V215-S270 PolarHBondContact O-N 3.42Å; S270-I295 PolarHBondContact O-N 2.84Å
271	I	98.9	Very high	97.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.9	177.1	-59	177.8	0	0	0	107.3	I203 V209 I211 K214 V215 C216 C217 V273 I295	I203-I271 HydrophobicContact CD1-CG2 4.09Å; V209-I271 HydrophobicContact CG1-CD1 4.35Å; I211-I271 HydrophobicContact CD1-CD1 3.47Å; I211-I271 VanDerWaalsContact CD1-CD1 3.47Å; K214-I271 HydrophobicContact CB-CD1 4.36Å; K214-I271 HydrophobicContact CG-CD1 4.45Å; V215-I271 PolarHBondContact O-N 3.46Å; C216-I271 CarbonylContact C-O 3.59Å; C216-I271 WeakPolarHBondContact CA-O 3.38Å; C216-I271 HydrophobicContact CB-CB 4.34Å; C217-I271 PolarHBondContact N-O 3.39Å; I271-V273 HydrophobicContact CG2-CG2 4.17Å; I271-I295 CarbonylContact C-O 3.6Å; I271-I295 WeakPolarHBondContact CA-O 3.4Å; I271-I295 HydrophobicContact CG1-CB 4.43Å
272	F	99	Very high	97.8	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.7	178.8	-63.6	-94.7	0	0	0	109.6	C217 M262 A269 I282 M290 A294 I295 V296 C297	C217-F272 HydrophobicContact CB-CD1 3.68Å; C217-F272 HydrophobicContact CB-CE1 3.97Å; C217-F272 HydrophobicContact CB-CG 4.47Å; C217-F272 WeakPolarHBondContact O-CA 3.28Å; M262-F272 HydrophobicContact SD-CD1 4Å; M262-F272 HydrophobicContact SD-CE1 4.11Å; A269-F272 HydrophobicContact CB-CD1 4.35Å; A269-F272 HydrophobicContact CB-CE1 3.72Å; A269-F272 HydrophobicContact CB-CE2 4.05Å; A269-F272 HydrophobicContact CB-CZ 3.55Å; A269-F272 WeakPolarHBondContact O-CE2 3.42Å; A269-F272 VanDerWaalsContact O-CZ 3.32Å; A269-F272 WeakPolarHBondContact O-CZ 3.47Å; F272-I282 HydrophobicContact CB-CD1 3.73Å; F272-I282 HydrophobicContact CD1-CD1 4.4Å; F272-I282 HydrophobicContact CG-CD1 4.34Å; F272-M290 HydrophobicContact CD1-CE 3.88Å; F272-M290 HydrophobicContact CD2-CE 3.67Å; F272-M290 HydrophobicContact CD2-SD 3.89Å; F272-M290 HydrophobicContact CE1-CE 3.92Å; F272-M290 HydrophobicContact CE2-CE 3.7Å; F272-M290 HydrophobicContact CE2-CG 3.75Å; F272-M290 HydrophobicContact CE2-SD 3.68Å; F272-M290 HydrophobicContact CG-CE 3.76Å; F272-M290 HydrophobicContact CZ-CE 3.83Å; F272-M290 HydrophobicContact CZ-CG 3.85Å; F272-M290 HydrophobicContact CZ-SD 4.2Å; F272-A294 HydrophobicContact CD2-CB 4.38Å; F272-A294 HydrophobicContact CE2-CB 4.02Å; F272-I295 PolarHBondContact N-O 3.02Å; F272-V296 HydrophobicContact CB-CG1 4.38Å; F272-V296 HydrophobicContact CB-CG2 4.41Å; F272-V296 HydrophobicContact CD2-CG2 4.2Å; F272-C297 PolarHBondContact O-N 2.69Å
273	V	99	Very high	97.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.9	-180	-171.9	0	0	0	0	109	L199 I203 C217 V218 A219 L232 I271 T275 C297 I299	L199-V273 HydrophobicContact CD1-CG1 3.66Å; L199-V273 HydrophobicContact CD1-CG2 4.11Å; L199-V273 HydrophobicContact CD2-CG1 4.17Å; L199-V273 HydrophobicContact CD2-CG2 4.17Å; I203-V273 HydrophobicContact CD1-CG2 4.36Å; C217-V273 PolarHBondContact O-N 2.86Å; V218-V273 WeakPolarHBondContact CA-O 3.49Å; A219-V273 PolarHBondContact N-O 3.06Å; L232-V273 HydrophobicContact CD1-CG2 4.27Å; I271-V273 HydrophobicContact CG2-CG2 4.17Å; V273-T275 HydrophobicContact CG1-CG2 3.94Å; V273-C297 WeakPolarHBondContact CA-O 3.49Å; V273-I299 HydrophobicContact CG1-CG2 3.74Å
274	T	98.9	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131	175.4	62	0	0	0	0	111	I281 I282 C297 N298 I299 G300 E305 I306	T274-I281 HydrophobicContact CG2-CB 4.24Å; T274-I281 HydrophobicContact CG2-CG2 4Å; T274-I282 HydrophobicContact CG2-CD1 3.53Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; T274-C297 PolarHBondContact N-O 3.03Å; T274-N298 PolarHBondContact O-OD1 3.36Å; T274-N298 VanDerWaalsContact OG1-CA 3.26Å; T274-N298 WeakPolarHBondContact OG1-CA 3.3Å; T274-N298 VanDerWaalsContact OG1-CB 3.29Å; T274-N298 WeakPolarHBondContact OG1-CB 3.48Å; T274-N298 PolarHBondContact OG1-OD1 2.86Å; T274-I299 PolarHBondContact O-N 2.78Å; T274-G300 PolarHBondContact O-N 2.82Å; T274-E305 VanDerWaalsContact CB-OE2 3.24Å; T274-E305 WeakPolarHBondContact CB-OE2 3.49Å; T274-E305 HydrophobicContact CG2-CB 4.15Å; T274-E305 WeakPolarHBondContact OG1-CB 3.49Å; T274-I306 HydrophobicContact CG2-CG1 3.99Å
275	T	98	Very high	97.7	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.086	21%	0.213	C	C	.	.			trans	-138.2	18.8	-172.5	75.6	0	0	0	0	113.1	V218 A219 G220 V224 G225 C228 V273 I299 E305	V218-T275 HydrophobicContact CG1-CG2 3.89Å; A219-T275 WeakPolarHBondContact O-CA 3.2Å; A219-T275 WeakPolarHBondContact O-CB 3.3Å; A219-T275 PolarHBondContact O-N 3.13Å; A219-T275 PolarHBondContact O-OG1 2.86Å; G220-T275 PolarHBondContact O-OG1 3.37Å; V224-T275 HydrophobicContact CG1-CG2 3.91Å; G225-T275 WeakPolarHBondContact CA-OG1 3.45Å; C228-T275 HydrophobicContact CB-CG2 4.46Å; V273-T275 HydrophobicContact CG1-CG2 3.94Å; T275-I299 HydrophobicContact CG2-CG2 3.65Å; T275-E305 PolarHBondContact N-OE2 3.13Å
276	T	96.4	Very high	97.7	Very high	50 Å²	50	38.8 Å²	38.8	31%	0.307	22%	0.215	S	C	.	.	S	Bend	trans	-91.1	-24.6	-162.3	69.8	0	0	0	0	114	A219 C278 I281 E305	A219-T276 HydrophobicContact CB-CG2 4.09Å; A219-T276 VanDerWaalsContact O-CG2 3.27Å; A219-T276 WeakPolarHBondContact O-CG2 3.49Å; T276-C278 PolarHBondContact O-N 3.38Å; T276-C278 WeakPolarHBondContact OG1-CB 3.32Å; T276-C278 PolarHBondContact OG1-N 2.78Å; T276-C278 PolarHBondContact OG1-O 3.18Å; T276-I281 HydrophobicContact CG2-CD1 3.95Å; T276-I281 HydrophobicContact CG2-CG1 4.01Å; T276-I281 HydrophobicContact CG2-CG2 4.29Å; T276-I281 WeakPolarHBondContact OG1-CD1 3.36Å; T276-I281 VanDerWaalsContact OG1-CG1 3.31Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.16Å; T276-E305 WeakPolarHBondContact CB-OE2 3.19Å; T276-E305 PolarHBondContact N-OE1 3.4Å; T276-E305 VanDerWaalsContact N-OE1 3.13Å; T276-E305 PolarHBondContact N-OE2 2.88Å; T276-E305 VanDerWaalsContact OG1-CD 3.27Å; T276-E305 PolarHBondContact OG1-OE2 3Å
277	G	91.6	Very high	97.7	Very high	51 Å²	51	38.9 Å²	38.9	53%	0.526	22%	0.216	S	C	.	.	S	Bend	trans	64.2	18.4	-165.4	0	0	0	0	0	113.5	E305	G277-E305 WeakPolarHBondContact CA-OE1 3.21Å; G277-E305 PolarHBondContact N-OE1 3.42Å
278	C	93.9	Very high	97.7	Very high	67 Å²	67	38.8 Å²	38.8	45%	0.453	22%	0.217	S	C	.	.			trans	-123.5	152.9	-176.9	-172.2	0	0	0	0	111	T276 I281 E305	T276-C278 PolarHBondContact O-N 3.38Å; T276-C278 WeakPolarHBondContact OG1-CB 3.32Å; T276-C278 PolarHBondContact OG1-N 2.78Å; T276-C278 PolarHBondContact OG1-O 3.18Å; C278-I281 HydrophobicContact CB-CD1 4.1Å; C278-I281 WeakPolarHBondContact O-CG1 3.19Å; C278-E305 WeakPolarHBondContact O-CA 3.31Å; C278-E305 VanDerWaalsContact O-CG 3.32Å; C278-E305 WeakPolarHBondContact O-CG 3.27Å
279	R	95.4	Very high	97.7	Very high	162 Å²	162	40.2 Å²	40.2	61%	0.611	22%	0.223	S	C	*	.	S	Bend	trans	-79.2	158.8	-178.8	58.8	179.4	-68.7	151.8	10.9	112.7	I281 I304	R279-I281 PolarHBondContact O-N 3.31Å; R279-I304 WeakPolarHBondContact CA-O 3.11Å; R279-I304 HydrophobicContact CB-CB 4.34Å; R279-I304 HydrophobicContact CB-CD1 4.2Å; R279-I304 HydrophobicContact CB-CG1 4.29Å
280	D	97.3	Very high	97.7	Very high	79 Å²	79	40.3 Å²	40.3	42%	0.422	22%	0.224	S	C	.	.			trans	61.3	39.2	167.8	-48.8	-48.5	0	0	0	114.1	T283 I304	D280-T283 HydrophobicContact CB-CG2 3.91Å; D280-T283 WeakPolarHBondContact O-CG2 3.24Å; D280-I304 PolarHBondContact N-O 3.29Å; D280-I304 VanDerWaalsContact N-O 3.16Å
281	I	98.6	Very high	97.6	Very high	32 Å²	32	40.5 Å²	40.5	16%	0.164	22%	0.224	C	C	.	.	S	Bend	trans	-80.1	-46.5	179.9	-53.4	-56.4	0	0	0	111.2	A219 M262 T274 T276 C278 R279 H286 E305	A219-I281 HydrophobicContact CB-CG2 3.5Å; A219-I281 VanDerWaalsContact CB-CG2 3.5Å; M262-I281 HydrophobicContact CE-CG2 4.22Å; T274-I281 HydrophobicContact CG2-CB 4.24Å; T274-I281 HydrophobicContact CG2-CG2 4Å; T276-I281 HydrophobicContact CG2-CD1 3.95Å; T276-I281 HydrophobicContact CG2-CG1 4.01Å; T276-I281 HydrophobicContact CG2-CG2 4.29Å; T276-I281 WeakPolarHBondContact OG1-CD1 3.36Å; T276-I281 VanDerWaalsContact OG1-CG1 3.31Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.16Å; C278-I281 HydrophobicContact CB-CD1 4.1Å; C278-I281 WeakPolarHBondContact O-CG1 3.19Å; R279-I281 PolarHBondContact O-N 3.31Å; I281-H286 PolarHBondContact O-CE1 3.44Å; I281-H286 VanDerWaalsContact O-CE1 3.31Å; I281-H286 PolarHBondContact O-ND1 2.98Å; I281-H286 VanDerWaalsContact O-ND1 3.11Å; I281-E305 WeakPolarHBondContact CA-O 3.33Å; I281-E305 HydrophobicContact CB-CB 4.39Å; I281-E305 VanDerWaalsContact CB-O 3.29Å; I281-E305 WeakPolarHBondContact CB-O 3.32Å; I281-E305 HydrophobicContact CG1-CB 4.09Å; I281-E305 PolarHBondContact N-O 3Å
282	I	98.8	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-113.4	107.6	173.2	-61.7	-179.6	0	0	0	108	M262 F272 T274 H286 L287 M290 V296 E305 I306 D307	M262-I282 HydrophobicContact CE-CG1 4.13Å; M262-I282 HydrophobicContact SD-CG1 4.37Å; F272-I282 HydrophobicContact CB-CD1 3.73Å; F272-I282 HydrophobicContact CD1-CD1 4.4Å; F272-I282 HydrophobicContact CG-CD1 4.34Å; T274-I282 HydrophobicContact CG2-CD1 3.53Å; T274-I282 HydrophobicContact CG2-CG1 3.79Å; I282-H286 HydrophobicContact CG2-CB 4.32Å; I282-L287 HydrophobicContact CG2-CD2 3.76Å; I282-L287 HydrophobicContact CG2-CG 3.87Å; I282-M290 HydrophobicContact CD1-CE 4.41Å; I282-M290 HydrophobicContact CG2-CE 3.72Å; I282-V296 HydrophobicContact CD1-CG1 3.79Å; I282-V296 HydrophobicContact CG2-CG1 4.45Å; I282-E305 PolarHBondContact N-O 3.38Å; I282-I306 HydrophobicContact CB-CG1 4.29Å; I282-I306 HydrophobicContact CB-CG2 4.36Å; I282-I306 HydrophobicContact CD1-CG1 4.44Å; I282-I306 HydrophobicContact CG2-CG2 4.41Å; I282-D307 PolarHBondContact O-N 2.83Å
283	T	98.6	Very high	97.6	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.172	26%	0.261	C	S	.	.			trans	-116.8	179.6	-176	65.2	0	0	0	0	111	D280 V285 H286 L287	D280-T283 HydrophobicContact CB-CG2 3.91Å; D280-T283 WeakPolarHBondContact O-CG2 3.24Å; T283-V285 PolarHBondContact O-N 2.89Å; T283-V285 VanDerWaalsContact O-N 3.12Å; T283-V285 WeakPolarHBondContact OG1-CG2 3.28Å; T283-H286 PolarHBondContact N-ND1 3.27Å; T283-H286 PolarHBondContact O-N 3.31Å; T283-L287 WeakPolarHBondContact O-CG 3.42Å; T283-L287 PolarHBondContact O-N 3.42Å
284	S	97.9	Very high	97.6	Very high	31 Å²	31	47.4 Å²	47.4	22%	0.217	26%	0.261	C	S	.	.	H	α-helix	trans	-47.8	-37.9	176.4	63.9	0	0	0	0	114.6	H286 Q288 W310	S284-H286 VanDerWaalsContact C-N 3.31Å; S284-H286 PolarHBondContact O-N 2.97Å; S284-Q288 VanDerWaalsContact O-CG 3.26Å; S284-Q288 WeakPolarHBondContact O-CG 3.5Å; S284-Q288 PolarHBondContact O-N 3.37Å; S284-Q288 PolarHBondContact O-NE2 3.38Å; S284-W310 VanDerWaalsContact CB-CD2 3.49Å; S284-W310 VanDerWaalsContact CB-NE1 3.34Å
285	V	98	Very high	97.6	Very high	81 Å²	81	47.7 Å²	47.7	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-68.2	-32.4	-179.1	-63.3	0	0	0	0	112	T283 Q289	T283-V285 PolarHBondContact O-N 2.89Å; T283-V285 VanDerWaalsContact O-N 3.12Å; T283-V285 WeakPolarHBondContact OG1-CG2 3.28Å; V285-Q289 WeakPolarHBondContact O-CG 3.44Å
286	H	98.7	Very high	97.7	Very high	10 Å²	10	47 Å²	47	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-79.5	-49.7	178.4	-53.5	140.4	0	0	0	110.8	M262 E263 I281 I282 T283 S284 Q288 Q289 M290	M262-H286 HydrophobicContact CG-CB 4.29Å; M262-H286 WeakPolarHBondContact CG-ND1 3.49Å; E263-H286 IonicContact OE1-NE2 3.93Å; I281-H286 PolarHBondContact O-CE1 3.44Å; I281-H286 VanDerWaalsContact O-CE1 3.31Å; I281-H286 PolarHBondContact O-ND1 2.98Å; I281-H286 VanDerWaalsContact O-ND1 3.11Å; I282-H286 HydrophobicContact CG2-CB 4.32Å; T283-H286 PolarHBondContact N-ND1 3.27Å; T283-H286 PolarHBondContact O-N 3.31Å; S284-H286 VanDerWaalsContact C-N 3.31Å; S284-H286 PolarHBondContact O-N 2.97Å; H286-Q288 PolarHBondContact O-N 2.99Å; H286-Q288 VanDerWaalsContact O-N 3.14Å; H286-Q289 PolarHBondContact O-N 3.05Å; H286-M290 PolarHBondContact O-N 3.47Å
287	L	98.4	Very high	97.8	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-56.9	-33.9	-176.7	-69.3	165.5	0	0	0	112.6	I282 T283 Q289 M290 W310 L311 I336	I282-L287 HydrophobicContact CG2-CD2 3.76Å; I282-L287 HydrophobicContact CG2-CG 3.87Å; T283-L287 WeakPolarHBondContact O-CG 3.42Å; T283-L287 PolarHBondContact O-N 3.42Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.25Å; L287-M290 HydrophobicContact CD2-CE 4.1Å; L287-M290 HydrophobicContact CD2-SD 4.03Å; L287-W310 HydrophobicContact CB-CE3 4.48Å; L287-W310 HydrophobicContact CB-CZ3 3.85Å; L287-W310 HydrophobicContact CD1-CE3 3.61Å; L287-W310 HydrophobicContact CD1-CZ3 3.82Å; L287-L311 HydrophobicContact CD1-CD1 4.17Å; L287-L311 HydrophobicContact CD1-CD2 3.95Å; L287-L311 HydrophobicContact CD1-CG 3.73Å; L287-L311 HydrophobicContact CD2-CD1 4.2Å; L287-L311 HydrophobicContact CD2-CD2 4.28Å; L287-L311 HydrophobicContact CD2-CG 4.45Å; L287-I336 HydrophobicContact CD2-CG2 4.4Å
288	Q	97.9	Very high	98.1	Very high	102 Å²	102	42.2 Å²	42.2	48%	0.477	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24	177.8	-71.9	173.9	74.5	0	0	113.9	S284 H286 W310	S284-Q288 VanDerWaalsContact O-CG 3.26Å; S284-Q288 WeakPolarHBondContact O-CG 3.5Å; S284-Q288 PolarHBondContact O-N 3.37Å; S284-Q288 PolarHBondContact O-NE2 3.38Å; H286-Q288 PolarHBondContact O-N 2.99Å; H286-Q288 VanDerWaalsContact O-N 3.14Å; Q288-W310 HydrophobicContact CG-CH2 3.69Å; Q288-W310 HydrophobicContact CG-CZ2 4.2Å
289	Q	98.3	Very high	98.3	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-20.8	-179	-60.8	-54.8	-45.7	0	0	113	S266 K267 V285 H286 L287	S266-Q289 CarbonylContact O-C 3.57Å; K267-Q289 HydrophobicContact CG-CB 4.34Å; V285-Q289 WeakPolarHBondContact O-CG 3.44Å; H286-Q289 PolarHBondContact O-N 3.05Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.25Å
290	M	98.6	Very high	98.1	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	-54.2	147.5	-172.7	-71.4	-176.4	-179.9	0	0	113.6	S266 F272 I282 H286 L287 A294 V296 K334 I336	S266-M290 VanDerWaalsContact O-CA 3.3Å; S266-M290 WeakPolarHBondContact O-CA 3.31Å; S266-M290 PolarHBondContact O-N 2.88Å; F272-M290 HydrophobicContact CD1-CE 3.88Å; F272-M290 HydrophobicContact CD2-CE 3.67Å; F272-M290 HydrophobicContact CD2-SD 3.89Å; F272-M290 HydrophobicContact CE1-CE 3.92Å; F272-M290 HydrophobicContact CE2-CE 3.7Å; F272-M290 HydrophobicContact CE2-CG 3.75Å; F272-M290 HydrophobicContact CE2-SD 3.68Å; F272-M290 HydrophobicContact CG-CE 3.76Å; F272-M290 HydrophobicContact CZ-CE 3.83Å; F272-M290 HydrophobicContact CZ-CG 3.85Å; F272-M290 HydrophobicContact CZ-SD 4.2Å; I282-M290 HydrophobicContact CD1-CE 4.41Å; I282-M290 HydrophobicContact CG2-CE 3.72Å; H286-M290 PolarHBondContact O-N 3.47Å; L287-M290 HydrophobicContact CD2-CE 4.1Å; L287-M290 HydrophobicContact CD2-SD 4.03Å; M290-A294 HydrophobicContact CB-CB 3.81Å; M290-A294 HydrophobicContact CG-CB 4.29Å; M290-A294 HydrophobicContact SD-CB 4.01Å; M290-V296 HydrophobicContact CE-CG2 3.93Å; M290-V296 HydrophobicContact SD-CG2 3.61Å; M290-K334 VanDerWaalsContact O-CD 3.25Å; M290-K334 WeakPolarHBondContact O-CD 3.24Å; M290-K334 PolarHBondContact O-NZ 3.28Å; M290-I336 HydrophobicContact CB-CD1 3.71Å; M290-I336 HydrophobicContact CG-CD1 4.3Å; M290-I336 HydrophobicContact SD-CD1 3.74Å
291	P	98.3	Very high	97.3	Very high	35 Å²	35	29.7 Å²	29.7	23%	0.227	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-58.1	159.7	167.4	-23.3	34.5	0	0	0	112.1	A269 A294	A269-P291 VanDerWaalsContact O-CD 3.24Å; A269-P291 WeakPolarHBondContact O-CD 3.47Å; A269-P291 WeakPolarHBondContact O-CG 3.4Å; P291-A294 WeakPolarHBondContact O-CB 3.29Å; P291-A294 PolarHBondContact O-N 3.41Å
292	D	98.7	Very high	96.5	Very high	90 Å²	90	31.8 Å²	31.8	48%	0.481	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	136.9	174.7	-165.5	36.3	0	0	0	110.8	A294 K334 H335	D292-A294 VanDerWaalsContact C-N 3.27Å; D292-A294 PolarHBondContact O-N 2.84Å; D292-K334 HydrophobicContact CB-CG 4.48Å; D292-K334 VanDerWaalsContact OD1-CA 3.29Å; D292-K334 WeakPolarHBondContact OD1-CA 3.39Å; D292-H335 IonicContact OD1-CE1 2.84Å; D292-H335 IonicContact OD1-CG 3.9Å; D292-H335 PolarHBondContact OD1-N 2.64Å; D292-H335 IonicContact OD1-ND1 3.42Å; D292-H335 PolarHBondContact OD1-ND1 2.93Å; D292-H335 IonicContact OD2-ND1 2.8Å
293	D	98.7	Very high	96.1	Very high	58 Å²	58	34.9 Å²	34.9	31%	0.31	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	35	-174	-78.5	-39.8	0	0	0	114.5	I295 R327 H335 I337	D293-I295 PolarHBondContact O-N 3.41Å; D293-R327 VanDerWaalsContact CG-NH2 3.28Å; D293-R327 IonicContact OD1-CZ 2.83Å; D293-R327 VanDerWaalsContact OD1-CZ 3.26Å; D293-R327 IonicContact OD1-NE 3.93Å; D293-R327 PolarHBondContact OD1-NE 3.01Å; D293-R327 IonicContact OD1-NH2 3.57Å; D293-R327 PolarHBondContact OD1-NH2 3.24Å; D293-R327 IonicContact OD2-CZ 3.01Å; D293-R327 IonicContact OD2-NE 3.86Å; D293-R327 IonicContact OD2-NH2 2.72Å; D293-R327 PolarHBondContact OD2-NH2 3.38Å; D293-H335 WeakPolarHBondContact CA-O 3.37Å; D293-H335 PolarHBondContact N-O 3.18Å; D293-H335 WeakPolarHBondContact OD1-CB 3.48Å; D293-I337 HydrophobicContact CB-CD1 4.06Å
294	A	98.9	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.6	167.8	0	0	0	0	0	110.6	F272 M290 P291 D292 I336 I337	F272-A294 HydrophobicContact CD2-CB 4.38Å; F272-A294 HydrophobicContact CE2-CB 4.02Å; M290-A294 HydrophobicContact CB-CB 3.81Å; M290-A294 HydrophobicContact CG-CB 4.29Å; M290-A294 HydrophobicContact SD-CB 4.01Å; P291-A294 WeakPolarHBondContact O-CB 3.29Å; P291-A294 PolarHBondContact O-N 3.41Å; D292-A294 VanDerWaalsContact C-N 3.27Å; D292-A294 PolarHBondContact O-N 2.84Å; A294-I336 HydrophobicContact CB-CD1 4.15Å; A294-I337 PolarHBondContact O-N 2.88Å
295	I	99	Very high	96	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.6	175.4	-63.5	166.2	0	0	0	108.3	T207 V209 S270 I271 F272 D293 I337 L339	T207-I295 HydrophobicContact CG2-CD1 3.91Å; T207-I295 HydrophobicContact CG2-CG1 4.29Å; T207-I295 HydrophobicContact CG2-CG2 4.46Å; V209-I295 HydrophobicContact CB-CD1 3.81Å; V209-I295 HydrophobicContact CG1-CD1 3.7Å; V209-I295 HydrophobicContact CG2-CD1 3.86Å; S270-I295 PolarHBondContact O-N 2.84Å; I271-I295 CarbonylContact C-O 3.6Å; I271-I295 WeakPolarHBondContact CA-O 3.4Å; I271-I295 HydrophobicContact CG1-CB 4.43Å; F272-I295 PolarHBondContact N-O 3.02Å; D293-I295 PolarHBondContact O-N 3.41Å; I295-I337 CarbonylContact C-O 3.57Å; I295-I337 WeakPolarHBondContact CA-O 3.45Å; I295-I337 HydrophobicContact CG1-CB 4.18Å; I295-I337 HydrophobicContact CG1-CD1 4.25Å; I295-I337 HydrophobicContact CG1-CG2 4.41Å; I295-L339 HydrophobicContact CG2-CD1 3.77Å; I295-L339 HydrophobicContact CG2-CD2 4.42Å; I295-L339 HydrophobicContact CG2-CG 3.99Å
296	V	98.9	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	-179.1	-173	0	0	0	0	108.9	F272 I282 M290 I306 I336 I337 L338 L339	F272-V296 HydrophobicContact CB-CG1 4.38Å; F272-V296 HydrophobicContact CB-CG2 4.41Å; F272-V296 HydrophobicContact CD2-CG2 4.2Å; I282-V296 HydrophobicContact CD1-CG1 3.79Å; I282-V296 HydrophobicContact CG2-CG1 4.45Å; M290-V296 HydrophobicContact CE-CG2 3.93Å; M290-V296 HydrophobicContact SD-CG2 3.61Å; V296-I306 HydrophobicContact CG1-CD1 3.84Å; V296-I306 HydrophobicContact CG1-CG1 4.26Å; V296-I306 HydrophobicContact CG1-CG2 4.26Å; V296-I336 HydrophobicContact CB-CG2 4.42Å; V296-I336 HydrophobicContact CG2-CG2 3.8Å; V296-I337 PolarHBondContact N-O 3.49Å; V296-L338 HydrophobicContact CB-CD1 4.38Å; V296-L338 HydrophobicContact CG1-CD1 4.43Å; V296-L339 PolarHBondContact O-N 2.57Å
297	C	98.9	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.7	177.5	70.7	0	0	0	0	112.6	F272 V273 T274 L339 V345	F272-C297 PolarHBondContact O-N 2.69Å; V273-C297 WeakPolarHBondContact CA-O 3.49Å; T274-C297 PolarHBondContact N-O 3.03Å; C297-L339 HydrophobicContact CB-CB 3.78Å; C297-L339 HydrophobicContact CB-CD1 3.9Å; C297-L339 HydrophobicContact CB-CG 4.01Å; C297-V345 HydrophobicContact CB-CB 3.92Å; C297-V345 HydrophobicContact CB-CG1 4.26Å; C297-V345 HydrophobicContact CB-CG2 3.86Å
298	N	98.6	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.4	176.9	176.2	34.8	0	0	0	109.6	T274 G300 F302 I306 G342 L344 V345	T274-N298 PolarHBondContact O-OD1 3.36Å; T274-N298 VanDerWaalsContact OG1-CA 3.26Å; T274-N298 WeakPolarHBondContact OG1-CA 3.3Å; T274-N298 VanDerWaalsContact OG1-CB 3.29Å; T274-N298 WeakPolarHBondContact OG1-CB 3.48Å; T274-N298 PolarHBondContact OG1-OD1 2.86Å; N298-G300 PolarHBondContact ND2-O 3.34Å; N298-G300 WeakPolarHBondContact OD1-CA 3.29Å; N298-G300 PolarHBondContact OD1-N 3.38Å; N298-F302 PolarHBondContact ND2-O 3.46Å; N298-I306 HydrophobicContact CB-CD1 3.81Å; N298-G342 WeakPolarHBondContact CB-O 3.1Å; N298-G342 PolarHBondContact ND2-O 3.44Å; N298-L344 CarbonylContact O-C 3.57Å; N298-L344 WeakPolarHBondContact O-CA 2.87Å; N298-V345 WeakPolarHBondContact O-CB 3.32Å; N298-V345 WeakPolarHBondContact O-CG1 3.44Å; N298-V345 PolarHBondContact O-N 2.92Å
299	I	97.9	Very high	96	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.189	C	C	.	.			trans	-130	5.9	169.9	-163	168	0	0	0	111.5	C195 L199 V224 V273 T274 T275 L344 V345 N346	C195-I299 HydrophobicContact CB-CD1 4.2Å; L199-I299 HydrophobicContact CB-CD1 3.88Å; L199-I299 HydrophobicContact CD1-CD1 4.04Å; V224-I299 HydrophobicContact CG1-CG2 3.72Å; V273-I299 HydrophobicContact CG1-CG2 3.74Å; T274-I299 PolarHBondContact O-N 2.78Å; T275-I299 HydrophobicContact CG2-CG2 3.65Å; I299-L344 WeakPolarHBondContact O-CD2 3.47Å; I299-V345 HydrophobicContact CB-CG1 4.06Å; I299-V345 HydrophobicContact CD1-CG1 4.33Å; I299-V345 HydrophobicContact CG1-CG1 4.35Å; I299-N346 HydrophobicContact CD1-CB 3.85Å; I299-N346 HydrophobicContact CG1-CB 4.29Å
300	G	91.5	Very high	96	Very high	7 Å²	7	33.6 Å²	33.6	7%	0.072	18%	0.175	C	C	.	.	S	Bend	trans	-71.5	165.1	160.3	0	0	0	0	0	111.8	T274 N298 E305 L344	T274-G300 PolarHBondContact O-N 2.82Å; N298-G300 PolarHBondContact ND2-O 3.34Å; N298-G300 WeakPolarHBondContact OD1-CA 3.29Å; N298-G300 PolarHBondContact OD1-N 3.38Å; G300-E305 WeakPolarHBondContact CA-OE1 3.5Å; G300-L344 WeakPolarHBondContact O-CD2 3.5Å; G300-L344 VanDerWaalsContact O-CG 3.3Å; G300-L344 WeakPolarHBondContact O-CG 3.43Å
301	H	80.5	Confident	95.9	Very high	33 Å²	33	33.5 Å²	33.5	15%	0.153	17%	0.174	C	C	.	.	S	Bend	trans	-66.3	-44.4	-167.5	-176.3	78.1	0	0	0	114.1	D131 G132 L344	D131-H301 IonicContact OD1-CE1 2.9Å; D131-H301 PolarHBondContact OD1-CE1 3.28Å; D131-H301 IonicContact OD1-ND1 3.62Å; G132-H301 VanDerWaalsContact CA-CE1 3.49Å; G132-H301 WeakPolarHBondContact CA-CE1 3.39Å; G132-H301 WeakPolarHBondContact CA-NE2 3.29Å; H301-L344 WeakPolarHBondContact O-CD1 3.28Å
302	F	82	Confident	95.9	Very high	75 Å²	75	35.7 Å²	35.7	33%	0.329	18%	0.184	S	C	.	.	S	Bend	trans	-103.4	151.8	-178.9	-67.3	-42.2	0	0	0	112.5	T159 N298 I304	T159-F302 HydrophobicContact CG2-CD2 3.65Å; T159-F302 HydrophobicContact CG2-CE1 4.48Å; T159-F302 HydrophobicContact CG2-CE2 2.99Å; T159-F302 HydrophobicContact CG2-CZ 3.48Å; T159-F302 VanDerWaalsContact CG2-CZ 3.48Å; N298-F302 PolarHBondContact ND2-O 3.46Å; F302-I304 HydrophobicContact CB-CD1 4.16Å; F302-I304 HydrophobicContact CB-CG1 3.95Å; F302-I304 HydrophobicContact CB-CG2 4.38Å; F302-I304 HydrophobicContact CD2-CD1 4.43Å; F302-I304 PolarHBondContact O-N 3.27Å; F302-I304 VanDerWaalsContact O-N 3.08Å
303	D	91	Very high	95.9	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	32.7	178.4	55.2	-13.1	0	0	0	114.1	G342 R343	D303-G342 WeakPolarHBondContact CA-O 3.33Å; D303-G342 WeakPolarHBondContact CB-O 3.46Å; D303-R343 HydrophobicContact CB-CB 4.43Å; D303-R343 HydrophobicContact CB-CG 3.6Å; D303-R343 WeakPolarHBondContact OD2-CG 3.32Å; D303-R343 IonicContact OD2-CZ 2.82Å; D303-R343 IonicContact OD2-NE 3.7Å; D303-R343 PolarHBondContact OD2-NE 2.82Å; D303-R343 VanDerWaalsContact OD2-NE 3.14Å; D303-R343 IonicContact OD2-NH2 3.72Å
304	I	94.8	Very high	95.9	Very high	80 Å²	80	35.5 Å²	35.5	41%	0.41	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-8.8	-179	64.4	179.1	0	0	0	113.3	R279 D280 F302 I306	R279-I304 WeakPolarHBondContact CA-O 3.11Å; R279-I304 HydrophobicContact CB-CB 4.34Å; R279-I304 HydrophobicContact CB-CD1 4.2Å; R279-I304 HydrophobicContact CB-CG1 4.29Å; D280-I304 PolarHBondContact N-O 3.29Å; D280-I304 VanDerWaalsContact N-O 3.16Å; F302-I304 HydrophobicContact CB-CD1 4.16Å; F302-I304 HydrophobicContact CB-CG1 3.95Å; F302-I304 HydrophobicContact CB-CG2 4.38Å; F302-I304 HydrophobicContact CD2-CD1 4.43Å; F302-I304 PolarHBondContact O-N 3.27Å; F302-I304 VanDerWaalsContact O-N 3.08Å; I304-I306 VanDerWaalsContact C-N 3.28Å; I304-I306 PolarHBondContact O-N 2.94Å
305	E	97.9	Very high	95.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	-72.2	-25.9	-177.9	-51.6	-148.2	-157.9	0	0	111.9	T274 T275 T276 G277 C278 I281 I282 G300	T274-E305 VanDerWaalsContact CB-OE2 3.24Å; T274-E305 WeakPolarHBondContact CB-OE2 3.49Å; T274-E305 HydrophobicContact CG2-CB 4.15Å; T274-E305 WeakPolarHBondContact OG1-CB 3.49Å; T275-E305 PolarHBondContact N-OE2 3.13Å; T276-E305 WeakPolarHBondContact CB-OE2 3.19Å; T276-E305 PolarHBondContact N-OE1 3.4Å; T276-E305 VanDerWaalsContact N-OE1 3.13Å; T276-E305 PolarHBondContact N-OE2 2.88Å; T276-E305 VanDerWaalsContact OG1-CD 3.27Å; T276-E305 PolarHBondContact OG1-OE2 3Å; G277-E305 WeakPolarHBondContact CA-OE1 3.21Å; G277-E305 PolarHBondContact N-OE1 3.42Å; C278-E305 WeakPolarHBondContact O-CA 3.31Å; C278-E305 VanDerWaalsContact O-CG 3.32Å; C278-E305 WeakPolarHBondContact O-CG 3.27Å; I281-E305 WeakPolarHBondContact CA-O 3.33Å; I281-E305 HydrophobicContact CB-CB 4.39Å; I281-E305 VanDerWaalsContact CB-O 3.29Å; I281-E305 WeakPolarHBondContact CB-O 3.32Å; I281-E305 HydrophobicContact CG1-CB 4.09Å; I281-E305 PolarHBondContact N-O 3Å; I282-E305 PolarHBondContact N-O 3.38Å; G300-E305 WeakPolarHBondContact CA-OE1 3.5Å
306	I	98.7	Very high	95.8	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-117.5	132.5	-178.6	-56.1	160.7	0	0	0	108.7	T274 I282 V296 N298 I304 V308 L338	T274-I306 HydrophobicContact CG2-CG1 3.99Å; I282-I306 HydrophobicContact CB-CG1 4.29Å; I282-I306 HydrophobicContact CB-CG2 4.36Å; I282-I306 HydrophobicContact CD1-CG1 4.44Å; I282-I306 HydrophobicContact CG2-CG2 4.41Å; V296-I306 HydrophobicContact CG1-CD1 3.84Å; V296-I306 HydrophobicContact CG1-CG1 4.26Å; V296-I306 HydrophobicContact CG1-CG2 4.26Å; N298-I306 HydrophobicContact CB-CD1 3.81Å; I304-I306 VanDerWaalsContact C-N 3.28Å; I304-I306 PolarHBondContact O-N 2.94Å; I306-V308 HydrophobicContact CB-CG2 4.15Å; I306-V308 HydrophobicContact CG2-CG2 3.94Å; I306-V308 PolarHBondContact O-N 3.45Å; I306-L338 HydrophobicContact CD1-CD1 4.41Å; I306-L338 HydrophobicContact CG2-CD1 4.4Å
307	D	98.3	Very high	95.8	Very high	48 Å²	48	47.5 Å²	47.5	26%	0.257	25%	0.252	S	S	.	.			trans	-76.9	72.4	175.7	-169.2	-4.9	0	0	0	111.3	I282 D309 W310 L311	I282-D307 PolarHBondContact O-N 2.83Å; D307-D309 VanDerWaalsContact C-N 3.34Å; D307-W310 HydrophobicContact CB-CB 4.27Å; D307-W310 PolarHBondContact O-N 3.39Å; D307-W310 WeakPolarHBondContact OD1-CB 3.42Å; D307-W310 PolarHBondContact OD1-N 3.12Å; D307-W310 VanDerWaalsContact OD2-CB 3.29Å; D307-W310 WeakPolarHBondContact OD2-CB 3.5Å; D307-L311 PolarHBondContact O-N 3.38Å
308	V	98.3	Very high	95.8	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-69.3	-33	-179.4	179	0	0	0	0	111.5	I306 W310 L311 N312 L338	I306-V308 HydrophobicContact CB-CG2 4.15Å; I306-V308 HydrophobicContact CG2-CG2 3.94Å; I306-V308 PolarHBondContact O-N 3.45Å; V308-W310 VanDerWaalsContact C-N 3.3Å; V308-W310 PolarHBondContact O-N 2.68Å; V308-L311 WeakPolarHBondContact O-CB 3.4Å; V308-L311 PolarHBondContact O-N 2.75Å; V308-L311 VanDerWaalsContact O-N 3.14Å; V308-N312 PolarHBondContact O-N 3.13Å; V308-N312 PolarHBondContact O-ND2 3.34Å; V308-L338 HydrophobicContact CB-CD2 4.39Å; V308-L338 HydrophobicContact CG1-CD2 3.7Å; V308-L338 HydrophobicContact CG2-CD1 4.37Å; V308-L338 HydrophobicContact CG2-CD2 3.87Å
309	D	97.9	Very high	95.8	Very high	129 Å²	129	54.9 Å²	54.9	69%	0.69	29%	0.289	S	S	*	.	H	α-helix	trans	-59.6	-43.1	175.2	-76.1	-17.7	0	0	0	111.2	D307 L311 N312 A313	D307-D309 VanDerWaalsContact C-N 3.34Å; D309-L311 PolarHBondContact O-N 3.3Å; D309-N312 PolarHBondContact O-N 2.87Å; D309-A313 WeakPolarHBondContact O-CB 3.36Å; D309-A313 PolarHBondContact O-N 2.95Å
310	W	98.3	Very high	95.8	Very high	46 Å²	46	59.2 Å²	59.2	17%	0.174	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-41	174.9	-177.1	91.9	0	0	0	112.3	S284 L287 Q288 D307 V308 A313 N314 M330	S284-W310 VanDerWaalsContact CB-CD2 3.49Å; S284-W310 VanDerWaalsContact CB-NE1 3.34Å; L287-W310 HydrophobicContact CB-CE3 4.48Å; L287-W310 HydrophobicContact CB-CZ3 3.85Å; L287-W310 HydrophobicContact CD1-CE3 3.61Å; L287-W310 HydrophobicContact CD1-CZ3 3.82Å; Q288-W310 HydrophobicContact CG-CH2 3.69Å; Q288-W310 HydrophobicContact CG-CZ2 4.2Å; D307-W310 HydrophobicContact CB-CB 4.27Å; D307-W310 PolarHBondContact O-N 3.39Å; D307-W310 WeakPolarHBondContact OD1-CB 3.42Å; D307-W310 PolarHBondContact OD1-N 3.12Å; D307-W310 VanDerWaalsContact OD2-CB 3.29Å; D307-W310 WeakPolarHBondContact OD2-CB 3.5Å; V308-W310 VanDerWaalsContact C-N 3.3Å; V308-W310 PolarHBondContact O-N 2.68Å; W310-A313 PolarHBondContact O-N 2.64Å; W310-N314 HydrophobicContact CD2-CB 4.17Å; W310-N314 HydrophobicContact CH2-CB 4.38Å; W310-N314 HydrophobicContact CZ2-CB 3.9Å; W310-N314 PolarHBondContact NE1-ND2 2.73Å; W310-N314 VanDerWaalsContact O-CB 3.29Å; W310-N314 WeakPolarHBondContact O-CB 3.48Å; W310-N314 PolarHBondContact O-N 3.14Å; W310-N314 PolarHBondContact O-ND2 2.86Å; W310-M330 HydrophobicContact CH2-CE 3.42Å; W310-M330 VanDerWaalsContact CH2-CE 3.42Å; W310-M330 HydrophobicContact CZ3-CE 3.33Å
311	L	97.6	Very high	96.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-48.8	174.6	-80.5	170.8	0	0	0	111.4	L287 D307 V308 D309 A313 N314 A315 Y328 M330 L338	L287-L311 HydrophobicContact CD1-CD1 4.17Å; L287-L311 HydrophobicContact CD1-CD2 3.95Å; L287-L311 HydrophobicContact CD1-CG 3.73Å; L287-L311 HydrophobicContact CD2-CD1 4.2Å; L287-L311 HydrophobicContact CD2-CD2 4.28Å; L287-L311 HydrophobicContact CD2-CG 4.45Å; D307-L311 PolarHBondContact O-N 3.38Å; V308-L311 WeakPolarHBondContact O-CB 3.4Å; V308-L311 PolarHBondContact O-N 2.75Å; V308-L311 VanDerWaalsContact O-N 3.14Å; D309-L311 PolarHBondContact O-N 3.3Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 2.95Å; L311-N314 PolarHBondContact O-N 3.2Å; L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 3.03Å; L311-Y328 HydrophobicContact CB-CD1 4.1Å; L311-Y328 HydrophobicContact CB-CE1 3.93Å; L311-Y328 HydrophobicContact CD2-CG 4.46Å; L311-M330 HydrophobicContact CD2-CE 4.11Å; L311-M330 HydrophobicContact CD2-SD 3.77Å; L311-L338 HydrophobicContact CD1-CD2 4.23Å
312	N	98.3	Very high	97	Very high	82 Å²	82	65 Å²	65	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-37.4	179	-71	-32.5	0	0	0	112.3	V308 D309 Y328	V308-N312 PolarHBondContact O-N 3.13Å; V308-N312 PolarHBondContact O-ND2 3.34Å; D309-N312 PolarHBondContact O-N 2.87Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.42Å; N312-Y328 PolarHBondContact OD1-OH 2.77Å
313	A	98.3	Very high	97.7	Very high	79 Å²	79	66 Å²	66	65%	0.653	36%	0.356	S	S	*	.	H	α-helix	trans	-82.3	-27.6	-177.9	0	0	0	0	0	114.4	D309 W310 L311	D309-A313 WeakPolarHBondContact O-CB 3.36Å; D309-A313 PolarHBondContact O-N 2.95Å; W310-A313 PolarHBondContact O-N 2.64Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 2.95Å
314	N	98.4	Very high	98	Very high	65 Å²	65	64.4 Å²	64.4	35%	0.348	35%	0.347	S	S	.	.	H	α-helix	trans	-117.2	-13.2	-167.4	-65	-91.7	0	0	0	114.9	W310 L311 Q331	W310-N314 HydrophobicContact CD2-CB 4.17Å; W310-N314 HydrophobicContact CH2-CB 4.38Å; W310-N314 HydrophobicContact CZ2-CB 3.9Å; W310-N314 PolarHBondContact NE1-ND2 2.73Å; W310-N314 VanDerWaalsContact O-CB 3.29Å; W310-N314 WeakPolarHBondContact O-CB 3.48Å; W310-N314 PolarHBondContact O-N 3.14Å; W310-N314 PolarHBondContact O-ND2 2.86Å; L311-N314 PolarHBondContact O-N 3.2Å; N314-Q331 PolarHBondContact O-NE2 3.04Å
315	A	98.2	Very high	98.2	Very high	21 Å²	21	60.9 Å²	60.9	17%	0.174	33%	0.329	C	S	.	.			trans	-65.6	146.2	172.3	0	0	0	0	0	111.1	L311 E317 Y328 T329 M330	L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 3.03Å; A315-E317 VanDerWaalsContact C-N 3.28Å; A315-Y328 HydrophobicContact CB-CD1 3.68Å; A315-Y328 HydrophobicContact CB-CG 4.41Å; A315-T329 CarbonylContact C-O 3.57Å; A315-M330 HydrophobicContact CB-SD 4.43Å
316	K	98.2	Very high	98.3	Very high	127 Å²	127	61 Å²	61	55%	0.552	33%	0.33	S	S	*	.	S	Bend	trans	-66.7	-34.8	171.8	-76.8	-179.9	166.1	164.3	0	111.6	T329 Q331	K316-T329 WeakPolarHBondContact CB-O 3.33Å; K316-T329 PolarHBondContact N-O 3.47Å; K316-Q331 WeakPolarHBondContact CE-O 3.26Å; K316-Q331 VanDerWaalsContact CG-OE1 3.3Å; K316-Q331 PolarHBondContact NZ-O 2.89Å
317	E	98.4	Very high	98.3	Very high	110 Å²	110	64.1 Å²	64.1	51%	0.514	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.4	-175.4	-173.7	180	-149	0	0	109.5	A315 V319 Y328 T329	A315-E317 VanDerWaalsContact C-N 3.28Å; E317-V319 HydrophobicContact CG-CG2 3.95Å; E317-Y328 CarbonylContact O-C 3.57Å; E317-Y328 WeakPolarHBondContact O-CA 3.32Å; E317-T329 PolarHBondContact N-O 2.86Å; E317-T329 PolarHBondContact O-N 2.78Å
318	K	98.6	Very high	98.3	Very high	91 Å²	91	61.9 Å²	61.9	40%	0.396	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.7	168.3	176.7	-176.8	178.3	163.6	0	107.9	D326 Y328	K318-D326 VanDerWaalsContact CE-OD1 3.3Å; K318-D326 WeakPolarHBondContact CE-OD1 3.36Å; K318-D326 WeakPolarHBondContact CE-OD2 3.46Å; K318-D326 HydrophobicContact CG-CB 4.49Å; K318-D326 IonicContact NZ-OD1 2.67Å; K318-D326 IonicContact NZ-OD2 3.9Å; K318-D326 PolarHBondContact NZ-OD2 3.45Å; K318-Y328 HydrophobicContact CB-CD1 4.06Å; K318-Y328 HydrophobicContact CB-CE1 3.97Å; K318-Y328 HydrophobicContact CD-CE1 3.74Å; K318-Y328 WeakPolarHBondContact CD-OH 3.38Å; K318-Y328 WeakPolarHBondContact CE-OH 3.31Å; K318-Y328 HydrophobicContact CG-CD1 4.18Å; K318-Y328 HydrophobicContact CG-CE1 3.77Å; K318-Y328 HydrophobicContact CG-CE2 4.39Å; K318-Y328 PolarHBondContact NZ-OH 2.9Å; K318-Y328 VanDerWaalsContact NZ-OH 3.08Å
319	V	98.6	Very high	98.3	Very high	63 Å²	63	62 Å²	62	38%	0.382	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.9	174.5	-178.9	0	0	0	0	108.8	E317 V321 R327	E317-V319 HydrophobicContact CG-CG2 3.95Å; V319-V321 PolarHBondContact O-N 3.04Å; V319-R327 PolarHBondContact N-O 2.84Å; V319-R327 PolarHBondContact O-N 3.25Å
320	N	98.6	Very high	98.3	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	115.8	168	-174.7	-103.7	0	0	0	108.9	K322 D326	N320-K322 PolarHBondContact ND2-O 2.84Å; N320-K322 VanDerWaalsContact ND2-O 3.08Å; N320-K322 PolarHBondContact OD1-O 2.62Å; N320-D326 WeakPolarHBondContact CA-OD1 3.31Å; N320-D326 PolarHBondContact ND2-OD1 3.31Å
321	V	98.5	Very high	98.3	Very high	90 Å²	90	59.6 Å²	59.6	55%	0.545	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-44.3	-178.7	178.9	0	0	0	0	110	V319 V325 R327	V319-V321 PolarHBondContact O-N 3.04Å; V321-V325 HydrophobicContact CB-CB 4.35Å; V321-V325 HydrophobicContact CB-CG1 4.11Å; V321-V325 HydrophobicContact CG2-CG1 4.42Å; V321-V325 PolarHBondContact N-O 3.18Å; V321-R327 HydrophobicContact CG2-CB 3.86Å
322	K	98.4	Very high	98.3	Very high	72 Å²	72	63.6 Å²	63.6	31%	0.313	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	175.9	174.7	66.4	179.2	173.3	-167.4	0	108.2	R205 A206 N320 Q324 V325	R205-K322 PolarHBondContact O-NZ 3.1Å; A206-K322 WeakPolarHBondContact O-CE 3.27Å; A206-K322 PolarHBondContact O-NZ 3.37Å; N320-K322 PolarHBondContact ND2-O 2.84Å; N320-K322 VanDerWaalsContact ND2-O 3.08Å; N320-K322 PolarHBondContact OD1-O 2.62Å; K322-Q324 PolarHBondContact O-N 2.89Å; K322-V325 HydrophobicContact CD-CG2 4.42Å; K322-V325 HydrophobicContact CG-CB 3.94Å; K322-V325 HydrophobicContact CG-CG2 3.84Å; K322-V325 PolarHBondContact O-N 3.22Å
323	P	97.4	Very high	98.2	Very high	96 Å²	96	61.5 Å²	61.5	62%	0.623	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	128.3	175.6	-28	36.6	0	0	0	111.5	V325	P323-V325 PolarHBondContact O-N 3.27Å
324	Q	97.3	Very high	98.2	Very high	32 Å²	32	61.6 Å²	61.6	15%	0.15	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	18.6	177.4	-69.4	58.3	61.5	0	0	115	F81 K322 A340	F81-Q324 HydrophobicContact CD2-CG 4.49Å; K322-Q324 PolarHBondContact O-N 2.89Å; Q324-A340 HydrophobicContact CB-CB 4.47Å; Q324-A340 PolarHBondContact O-N 3.23Å
325	V	98.8	Very high	98.2	Very high	6 Å²	6	60 Å²	60	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111	171.7	-173.1	0	0	0	0	109.7	A206 V321 K322 P323 I337 L339	A206-V325 HydrophobicContact CB-CG2 3.74Å; V321-V325 HydrophobicContact CB-CB 4.35Å; V321-V325 HydrophobicContact CB-CG1 4.11Å; V321-V325 HydrophobicContact CG2-CG1 4.42Å; V321-V325 PolarHBondContact N-O 3.18Å; K322-V325 HydrophobicContact CD-CG2 4.42Å; K322-V325 HydrophobicContact CG-CB 3.94Å; K322-V325 HydrophobicContact CG-CG2 3.84Å; K322-V325 PolarHBondContact O-N 3.22Å; P323-V325 PolarHBondContact O-N 3.27Å; V325-I337 HydrophobicContact CG1-CG2 4.01Å; V325-L339 HydrophobicContact CG1-CD2 4.2Å; V325-L339 HydrophobicContact CG2-CD2 4.35Å
326	D	98.8	Very high	98.3	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.6	178.7	-68	-46.9	0	0	0	110.3	K318 N320 Y328 I337 L338	K318-D326 VanDerWaalsContact CE-OD1 3.3Å; K318-D326 WeakPolarHBondContact CE-OD1 3.36Å; K318-D326 WeakPolarHBondContact CE-OD2 3.46Å; K318-D326 HydrophobicContact CG-CB 4.49Å; K318-D326 IonicContact NZ-OD1 2.67Å; K318-D326 IonicContact NZ-OD2 3.9Å; K318-D326 PolarHBondContact NZ-OD2 3.45Å; N320-D326 WeakPolarHBondContact CA-OD1 3.31Å; N320-D326 PolarHBondContact ND2-OD1 3.31Å; D326-Y328 HydrophobicContact CB-CD2 4.27Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; D326-I337 CarbonylContact O-C 3.58Å; D326-I337 WeakPolarHBondContact O-CA 3.4Å; D326-L338 PolarHBondContact N-O 2.8Å; D326-L338 VanDerWaalsContact N-O 3.09Å; D326-L338 PolarHBondContact O-N 3.34Å
327	R	98.8	Very high	98.3	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.268	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.6	174.3	-169.8	174.1	-174.8	-102.4	3.4	109.2	D293 V319 V321 H335 I336 I337	D293-R327 VanDerWaalsContact CG-NH2 3.28Å; D293-R327 IonicContact OD1-CZ 2.83Å; D293-R327 VanDerWaalsContact OD1-CZ 3.26Å; D293-R327 IonicContact OD1-NE 3.93Å; D293-R327 PolarHBondContact OD1-NE 3.01Å; D293-R327 IonicContact OD1-NH2 3.57Å; D293-R327 PolarHBondContact OD1-NH2 3.24Å; D293-R327 IonicContact OD2-CZ 3.01Å; D293-R327 IonicContact OD2-NE 3.86Å; D293-R327 IonicContact OD2-NH2 2.72Å; D293-R327 PolarHBondContact OD2-NH2 3.38Å; V319-R327 PolarHBondContact N-O 2.84Å; V319-R327 PolarHBondContact O-N 3.25Å; V321-R327 HydrophobicContact CG2-CB 3.86Å; R327-H335 HydrophobicContact CG-CB 4.26Å; R327-H335 PolarHBondContact NH1-CD2 2.84Å; R327-H335 PolarHBondContact NH1-NE2 3.36Å; R327-H335 VanDerWaalsContact NH1-NE2 3.12Å; R327-H335 PolarHBondContact NH2-CD2 2.94Å; R327-H335 PolarHBondContact NH2-CE1 2.61Å; R327-H335 PolarHBondContact NH2-ND1 3.05Å; R327-H335 VanDerWaalsContact NH2-ND1 3.16Å; R327-I336 CarbonylContact C-O 3.58Å; R327-I336 WeakPolarHBondContact CA-O 3.36Å; R327-I337 HydrophobicContact CG-CG1 4.23Å
328	Y	98.8	Very high	98.3	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.6	-179.4	-68.6	-100	0	0	0	109.9	L311 N312 A315 E317 K318 D326 H335 I336 L338	L311-Y328 HydrophobicContact CB-CD1 4.1Å; L311-Y328 HydrophobicContact CB-CE1 3.93Å; L311-Y328 HydrophobicContact CD2-CG 4.46Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.42Å; N312-Y328 PolarHBondContact OD1-OH 2.77Å; A315-Y328 HydrophobicContact CB-CD1 3.68Å; A315-Y328 HydrophobicContact CB-CG 4.41Å; E317-Y328 CarbonylContact O-C 3.57Å; E317-Y328 WeakPolarHBondContact O-CA 3.32Å; K318-Y328 HydrophobicContact CB-CD1 4.06Å; K318-Y328 HydrophobicContact CB-CE1 3.97Å; K318-Y328 HydrophobicContact CD-CE1 3.74Å; K318-Y328 WeakPolarHBondContact CD-OH 3.38Å; K318-Y328 WeakPolarHBondContact CE-OH 3.31Å; K318-Y328 HydrophobicContact CG-CD1 4.18Å; K318-Y328 HydrophobicContact CG-CE1 3.77Å; K318-Y328 HydrophobicContact CG-CE2 4.39Å; K318-Y328 PolarHBondContact NZ-OH 2.9Å; K318-Y328 VanDerWaalsContact NZ-OH 3.08Å; D326-Y328 HydrophobicContact CB-CD2 4.27Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; Y328-H335 CarbonylContact O-C 3.55Å; Y328-H335 WeakPolarHBondContact O-CA 3.42Å; Y328-I336 PolarHBondContact N-O 3.24Å; Y328-I336 PolarHBondContact O-N 2.97Å; Y328-L338 HydrophobicContact CD2-CB 4.18Å; Y328-L338 HydrophobicContact CE2-CB 3.79Å; Y328-L338 HydrophobicContact CE2-CD2 3.9Å
329	T	98.7	Very high	98.3	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.129	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.7	169.5	-54.5	0	0	0	0	108.6	A315 K316 E317 H335	A315-T329 CarbonylContact C-O 3.57Å; K316-T329 WeakPolarHBondContact CB-O 3.33Å; K316-T329 PolarHBondContact N-O 3.47Å; E317-T329 PolarHBondContact N-O 2.86Å; E317-T329 PolarHBondContact O-N 2.78Å; T329-H335 PolarHBondContact OG1-CD2 2.87Å
330	M	98.2	Very high	98.3	Very high	7 Å²	7	41.9 Å²	41.9	3%	0.034	23%	0.23	C	C	.	.			trans	-78.2	165.3	-178.4	-58.3	-52	-64.4	0	0	111.9	W310 L311 A315 S332 G333 K334 I336	W310-M330 HydrophobicContact CH2-CE 3.42Å; W310-M330 VanDerWaalsContact CH2-CE 3.42Å; W310-M330 HydrophobicContact CZ3-CE 3.33Å; L311-M330 HydrophobicContact CD2-CE 4.11Å; L311-M330 HydrophobicContact CD2-SD 3.77Å; A315-M330 HydrophobicContact CB-SD 4.43Å; M330-S332 PolarHBondContact O-N 3.08Å; M330-S332 VanDerWaalsContact O-N 3.15Å; M330-G333 PolarHBondContact O-N 2.9Å; M330-K334 VanDerWaalsContact CB-O 3.31Å; M330-K334 WeakPolarHBondContact CB-O 2.95Å; M330-K334 WeakPolarHBondContact CG-O 3.29Å; M330-K334 PolarHBondContact N-O 2.79Å; M330-I336 HydrophobicContact CG-CG1 3.98Å; M330-I336 HydrophobicContact SD-CG1 4.07Å
331	Q	97.4	Very high	98.3	Very high	116 Å²	116	40 Å²	40	54%	0.542	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33	176.7	-63	-60.6	-28.7	0	0	113	N314 K316 G333	N314-Q331 PolarHBondContact O-NE2 3.04Å; K316-Q331 WeakPolarHBondContact CE-O 3.26Å; K316-Q331 VanDerWaalsContact CG-OE1 3.3Å; K316-Q331 PolarHBondContact NZ-O 2.89Å; Q331-G333 PolarHBondContact O-N 3.36Å
332	S	96.8	Very high	98.2	Very high	84 Å²	84	35.8 Å²	35.8	59%	0.587	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.7	175.1	59.3	0	0	0	0	114.6	M330 K334	M330-S332 PolarHBondContact O-N 3.08Å; M330-S332 VanDerWaalsContact O-N 3.15Å; S332-K334 VanDerWaalsContact C-N 3.33Å; S332-K334 PolarHBondContact OG-N 2.88Å
333	G	97.8	Very high	98.1	Very high	38 Å²	38	34.3 Å²	34.3	39%	0.392	19%	0.185	S	C	.	.	S	Bend	trans	87.5	-6.1	-171.9	0	0	0	0	0	114.6	M330 Q331 H335	M330-G333 PolarHBondContact O-N 2.9Å; Q331-G333 PolarHBondContact O-N 3.36Å; G333-H335 PolarHBondContact O-CE1 2.84Å
334	K	98.2	Very high	98	Very high	81 Å²	81	30.4 Å²	30.4	35%	0.352	16%	0.158	S	C	.	.			trans	-74.3	161.8	168.5	-63.8	-177	179.7	177	0	111	M290 D292 M330 S332	M290-K334 VanDerWaalsContact O-CD 3.25Å; M290-K334 WeakPolarHBondContact O-CD 3.24Å; M290-K334 PolarHBondContact O-NZ 3.28Å; D292-K334 HydrophobicContact CB-CG 4.48Å; D292-K334 VanDerWaalsContact OD1-CA 3.29Å; D292-K334 WeakPolarHBondContact OD1-CA 3.39Å; M330-K334 VanDerWaalsContact CB-O 3.31Å; M330-K334 WeakPolarHBondContact CB-O 2.95Å; M330-K334 WeakPolarHBondContact CG-O 3.29Å; M330-K334 PolarHBondContact N-O 2.79Å; S332-K334 VanDerWaalsContact C-N 3.33Å; S332-K334 PolarHBondContact OG-N 2.88Å
335	H	98.7	Very high	98	Very high	33 Å²	33	28.9 Å²	28.9	15%	0.153	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.3	-177.9	-51.5	83.9	0	0	0	113	D292 D293 R327 Y328 T329 G333	D292-H335 IonicContact OD1-CE1 2.84Å; D292-H335 IonicContact OD1-CG 3.9Å; D292-H335 PolarHBondContact OD1-N 2.64Å; D292-H335 IonicContact OD1-ND1 3.42Å; D292-H335 PolarHBondContact OD1-ND1 2.93Å; D292-H335 IonicContact OD2-ND1 2.8Å; D293-H335 WeakPolarHBondContact CA-O 3.37Å; D293-H335 PolarHBondContact N-O 3.18Å; D293-H335 WeakPolarHBondContact OD1-CB 3.48Å; R327-H335 HydrophobicContact CG-CB 4.26Å; R327-H335 PolarHBondContact NH1-CD2 2.84Å; R327-H335 PolarHBondContact NH1-NE2 3.36Å; R327-H335 VanDerWaalsContact NH1-NE2 3.12Å; R327-H335 PolarHBondContact NH2-CD2 2.94Å; R327-H335 PolarHBondContact NH2-CE1 2.61Å; R327-H335 PolarHBondContact NH2-ND1 3.05Å; R327-H335 VanDerWaalsContact NH2-ND1 3.16Å; Y328-H335 CarbonylContact O-C 3.55Å; Y328-H335 WeakPolarHBondContact O-CA 3.42Å; T329-H335 PolarHBondContact OG1-CD2 2.87Å; G333-H335 PolarHBondContact O-CE1 2.84Å
336	I	98.8	Very high	98	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.1	171.2	-58.2	-62.4	0	0	0	108.5	L287 M290 A294 V296 R327 Y328 M330	L287-I336 HydrophobicContact CD2-CG2 4.4Å; M290-I336 HydrophobicContact CB-CD1 3.71Å; M290-I336 HydrophobicContact CG-CD1 4.3Å; M290-I336 HydrophobicContact SD-CD1 3.74Å; A294-I336 HydrophobicContact CB-CD1 4.15Å; V296-I336 HydrophobicContact CB-CG2 4.42Å; V296-I336 HydrophobicContact CG2-CG2 3.8Å; R327-I336 CarbonylContact C-O 3.58Å; R327-I336 WeakPolarHBondContact CA-O 3.36Å; Y328-I336 PolarHBondContact N-O 3.24Å; Y328-I336 PolarHBondContact O-N 2.97Å; M330-I336 HydrophobicContact CG-CG1 3.98Å; M330-I336 HydrophobicContact SD-CG1 4.07Å
337	I	98.9	Very high	97.7	Very high	28 Å²	28	29.5 Å²	29.5	14%	0.144	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.4	173	-60	170.5	0	0	0	107.7	T207 D293 A294 I295 V296 V325 D326 R327 L339	T207-I337 HydrophobicContact CG2-CG2 4.21Å; D293-I337 HydrophobicContact CB-CD1 4.06Å; A294-I337 PolarHBondContact O-N 2.88Å; I295-I337 CarbonylContact C-O 3.57Å; I295-I337 WeakPolarHBondContact CA-O 3.45Å; I295-I337 HydrophobicContact CG1-CB 4.18Å; I295-I337 HydrophobicContact CG1-CD1 4.25Å; I295-I337 HydrophobicContact CG1-CG2 4.41Å; V296-I337 PolarHBondContact N-O 3.49Å; V325-I337 HydrophobicContact CG1-CG2 4.01Å; D326-I337 CarbonylContact O-C 3.58Å; D326-I337 WeakPolarHBondContact O-CA 3.4Å; R327-I337 HydrophobicContact CG-CG1 4.23Å; I337-L339 HydrophobicContact CG2-CD2 3.9Å
338	L	98.9	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.8	178.2	-176.3	67.7	0	0	0	110	V296 I306 V308 L311 D326 Y328	V296-L338 HydrophobicContact CB-CD1 4.38Å; V296-L338 HydrophobicContact CG1-CD1 4.43Å; I306-L338 HydrophobicContact CD1-CD1 4.41Å; I306-L338 HydrophobicContact CG2-CD1 4.4Å; V308-L338 HydrophobicContact CB-CD2 4.39Å; V308-L338 HydrophobicContact CG1-CD2 3.7Å; V308-L338 HydrophobicContact CG2-CD1 4.37Å; V308-L338 HydrophobicContact CG2-CD2 3.87Å; L311-L338 HydrophobicContact CD1-CD2 4.23Å; D326-L338 PolarHBondContact N-O 2.8Å; D326-L338 VanDerWaalsContact N-O 3.09Å; D326-L338 PolarHBondContact O-N 3.34Å; Y328-L338 HydrophobicContact CD2-CB 4.18Å; Y328-L338 HydrophobicContact CE2-CB 3.79Å; Y328-L338 HydrophobicContact CE2-CD2 3.9Å
339	L	98.8	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.3	178.4	-51	-168.7	0	0	0	111.2	I203 A206 T207 I295 V296 C297 V325 I337 E341 G342 V345	I203-L339 HydrophobicContact CG1-CD1 4.19Å; A206-L339 HydrophobicContact CB-CD1 3.91Å; A206-L339 HydrophobicContact CB-CD2 3.75Å; A206-L339 HydrophobicContact CB-CG 4.4Å; T207-L339 HydrophobicContact CG2-CD1 4.39Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å; I295-L339 HydrophobicContact CG2-CD1 3.77Å; I295-L339 HydrophobicContact CG2-CD2 4.42Å; I295-L339 HydrophobicContact CG2-CG 3.99Å; V296-L339 PolarHBondContact O-N 2.57Å; C297-L339 HydrophobicContact CB-CB 3.78Å; C297-L339 HydrophobicContact CB-CD1 3.9Å; C297-L339 HydrophobicContact CB-CG 4.01Å; V325-L339 HydrophobicContact CG1-CD2 4.2Å; V325-L339 HydrophobicContact CG2-CD2 4.35Å; I337-L339 HydrophobicContact CG2-CD2 3.9Å; L339-E341 PolarHBondContact O-N 3.02Å; L339-G342 PolarHBondContact O-N 3.37Å; L339-V345 HydrophobicContact CB-CG2 3.92Å; L339-V345 HydrophobicContact CD1-CG2 3.77Å
340	A	97.7	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	50.4	29.3	176.2	0	0	0	0	0	114.5	Q324 G342 R343	Q324-A340 HydrophobicContact CB-CB 4.47Å; Q324-A340 PolarHBondContact O-N 3.23Å; A340-G342 PolarHBondContact O-N 3.34Å; A340-G342 VanDerWaalsContact O-N 3.13Å; A340-R343 VanDerWaalsContact O-CB 3.29Å; A340-R343 WeakPolarHBondContact O-CB 3.36Å; A340-R343 PolarHBondContact O-N 3.04Å
341	E	97.5	Very high	97.1	Very high	59 Å²	59	30.8 Å²	30.8	28%	0.276	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	53.1	32.1	-176.7	-58.5	168.4	-120	0	0	112.8	F81 L339 R343	F81-E341 WeakPolarHBondContact CE2-OE1 3.17Å; F81-E341 VanDerWaalsContact CZ-OE1 3.27Å; F81-E341 WeakPolarHBondContact CZ-OE1 3.49Å; L339-E341 PolarHBondContact O-N 3.02Å; E341-R343 VanDerWaalsContact C-N 3.3Å; E341-R343 PolarHBondContact O-N 3.3Å; E341-R343 IonicContact OE1-NH1 2.66Å; E341-R343 IonicContact OE2-NH1 3.18Å; E341-R343 PolarHBondContact OE2-NH1 2.79Å; E341-R343 VanDerWaalsContact OE2-NH1 3.14Å
342	G	97.6	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	80.6	2.2	-177.4	0	0	0	0	0	115.3	N298 D303 L339 A340	N298-G342 WeakPolarHBondContact CB-O 3.1Å; N298-G342 PolarHBondContact ND2-O 3.44Å; D303-G342 WeakPolarHBondContact CA-O 3.33Å; D303-G342 WeakPolarHBondContact CB-O 3.46Å; L339-G342 PolarHBondContact O-N 3.37Å; A340-G342 PolarHBondContact O-N 3.34Å; A340-G342 VanDerWaalsContact O-N 3.13Å
343	R	95.5	Very high	97.1	Very high	41 Å²	41	22.7 Å²	22.7	16%	0.155	12%	0.122	C	C	.	.	S	Bend	trans	-81.8	175.9	170.3	-62.4	169.2	-175.7	106.7	-11.1	111.1	D303 A340 E341 V345	D303-R343 HydrophobicContact CB-CB 4.43Å; D303-R343 HydrophobicContact CB-CG 3.6Å; D303-R343 WeakPolarHBondContact OD2-CG 3.32Å; D303-R343 IonicContact OD2-CZ 2.82Å; D303-R343 IonicContact OD2-NE 3.7Å; D303-R343 PolarHBondContact OD2-NE 2.82Å; D303-R343 VanDerWaalsContact OD2-NE 3.14Å; D303-R343 IonicContact OD2-NH2 3.72Å; A340-R343 VanDerWaalsContact O-CB 3.29Å; A340-R343 WeakPolarHBondContact O-CB 3.36Å; A340-R343 PolarHBondContact O-N 3.04Å; E341-R343 VanDerWaalsContact C-N 3.3Å; E341-R343 PolarHBondContact O-N 3.3Å; E341-R343 IonicContact OE1-NH1 2.66Å; E341-R343 IonicContact OE2-NH1 3.18Å; E341-R343 PolarHBondContact OE2-NH1 2.79Å; E341-R343 VanDerWaalsContact OE2-NH1 3.14Å; R343-V345 PolarHBondContact O-N 3.49Å
344	L	95.9	Very high	97.1	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.073	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-50.4	106.2	-179.7	-72.7	141.3	0	0	0	112.9	N298 I299 G300 H301 N346 L347 G348	N298-L344 CarbonylContact O-C 3.57Å; N298-L344 WeakPolarHBondContact O-CA 2.87Å; I299-L344 WeakPolarHBondContact O-CD2 3.47Å; G300-L344 WeakPolarHBondContact O-CD2 3.5Å; G300-L344 VanDerWaalsContact O-CG 3.3Å; G300-L344 WeakPolarHBondContact O-CG 3.43Å; H301-L344 WeakPolarHBondContact O-CD1 3.28Å; L344-N346 PolarHBondContact O-N 3.37Å; L344-L347 HydrophobicContact CB-CB 4.34Å; L344-L347 HydrophobicContact CB-CD1 4.22Å; L344-L347 HydrophobicContact CD1-CD1 4.2Å; L344-L347 PolarHBondContact O-N 3.49Å; L344-G348 PolarHBondContact O-N 2.98Å
345	V	98.3	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-36	-174	68.3	0	0	0	0	113.6	L199 C297 N298 I299 L339 R343 L347 C349	L199-V345 HydrophobicContact CD1-CG1 3.9Å; C297-V345 HydrophobicContact CB-CB 3.92Å; C297-V345 HydrophobicContact CB-CG1 4.26Å; C297-V345 HydrophobicContact CB-CG2 3.86Å; N298-V345 WeakPolarHBondContact O-CB 3.32Å; N298-V345 WeakPolarHBondContact O-CG1 3.44Å; N298-V345 PolarHBondContact O-N 2.92Å; I299-V345 HydrophobicContact CB-CG1 4.06Å; I299-V345 HydrophobicContact CD1-CG1 4.33Å; I299-V345 HydrophobicContact CG1-CG1 4.35Å; L339-V345 HydrophobicContact CB-CG2 3.92Å; L339-V345 HydrophobicContact CD1-CG2 3.77Å; R343-V345 PolarHBondContact O-N 3.49Å; V345-L347 VanDerWaalsContact C-N 3.27Å; V345-L347 PolarHBondContact O-N 3.07Å; V345-C349 HydrophobicContact CG2-CB 4.25Å; V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.4Å; V345-C349 PolarHBondContact O-N 3.18Å
346	N	97.6	Very high	97.1	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-30.9	179.7	60.6	-24.2	0	0	0	112.3	S198 I299 L344 A350 H351 G352 H353	S198-N346 WeakPolarHBondContact OG-CB 3.35Å; S198-N346 PolarHBondContact OG-ND2 3.22Å; I299-N346 HydrophobicContact CD1-CB 3.85Å; I299-N346 HydrophobicContact CG1-CB 4.29Å; L344-N346 PolarHBondContact O-N 3.37Å; N346-A350 CarbonylContact O-C 3.37Å; N346-A350 VanDerWaalsContact O-C 3.23Å; N346-A350 WeakPolarHBondContact O-CA 3.4Å; N346-A350 VanDerWaalsContact O-CB 3.28Å; N346-A350 WeakPolarHBondContact O-CB 3.45Å; N346-A350 PolarHBondContact O-N 3.19Å; N346-H351 PolarHBondContact O-N 3.44Å; N346-G352 WeakPolarHBondContact O-CA 3.42Å; N346-G352 PolarHBondContact O-N 3.14Å; N346-H353 PolarHBondContact ND2-CD2 2.74Å; N346-H353 PolarHBondContact ND2-NE2 2.7Å
347	L	93.5	Very high	97.1	Very high	16 Å²	16	20.4 Å²	20.4	8%	0.084	11%	0.109	C	C	.	.	H	α-helix	trans	-96.8	-40	179.2	-71.7	159	0	0	0	112.1	H54 T56 L344 V345	H54-L347 VanDerWaalsContact NE2-CD1 3.27Å; H54-L347 WeakPolarHBondContact NE2-CD1 3.13Å; T56-L347 HydrophobicContact CG2-CD2 4.48Å; L344-L347 HydrophobicContact CB-CB 4.34Å; L344-L347 HydrophobicContact CB-CD1 4.22Å; L344-L347 HydrophobicContact CD1-CD1 4.2Å; L344-L347 PolarHBondContact O-N 3.49Å; V345-L347 VanDerWaalsContact C-N 3.27Å; V345-L347 PolarHBondContact O-N 3.07Å
348	G	92.4	Very high	97.1	Very high	5 Å²	5	20.1 Å²	20.1	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-67.5	-45.7	179.7	0	0	0	0	0	112.2	K102 L344	K102-G348 PolarHBondContact NZ-O 3.4Å; K102-G348 VanDerWaalsContact NZ-O 3.09Å; L344-G348 PolarHBondContact O-N 2.98Å
349	C	97.4	Very high	97.1	Very high	20 Å²	20	20.1 Å²	20.1	14%	0.135	11%	0.107	C	C	.	.	S	Bend	trans	-103.4	-8.7	-175.7	-59.1	0	0	0	0	114.3	G202 R205 A206 V345	G202-C349 WeakPolarHBondContact O-CB 3.41Å; R205-C349 WeakPolarHBondContact CB-O 3.4Å; R205-C349 WeakPolarHBondContact CD-O 3.37Å; A206-C349 HydrophobicContact CB-CB 4.13Å; V345-C349 HydrophobicContact CG2-CB 4.25Å; V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.4Å; V345-C349 PolarHBondContact O-N 3.18Å
350	A	96.6	Very high	97	Very high	9 Å²	9	20.1 Å²	20.1	7%	0.074	11%	0.107	C	C	.	.	S	Bend	trans	-138.6	-143.9	176.3	0	0	0	0	0	111.5	D201 N346	D201-A350 HydrophobicContact CB-CB 4.2Å; N346-A350 CarbonylContact O-C 3.37Å; N346-A350 VanDerWaalsContact O-C 3.23Å; N346-A350 WeakPolarHBondContact O-CA 3.4Å; N346-A350 VanDerWaalsContact O-CB 3.28Å; N346-A350 WeakPolarHBondContact O-CB 3.45Å; N346-A350 PolarHBondContact O-N 3.19Å
351	H	95.2	Very high	97.1	Very high	94 Å²	94	20.1 Å²	20.1	44%	0.435	11%	0.107	S	C	.	.			trans	-119.2	18.6	-173.8	-64.3	115.4	0	0	0	113.3	Q84 R205 N346	Q84-H351 PolarHBondContact NE2-O 3.05Å; R205-H351 VanDerWaalsContact CZ-ND1 3.29Å; R205-H351 PolarHBondContact NH1-CE1 3.46Å; R205-H351 PolarHBondContact NH1-ND1 3.23Å; R205-H351 PolarHBondContact NH2-ND1 3.33Å; N346-H351 PolarHBondContact O-N 3.44Å
352	G	96	Very high	97.1	Very high	9 Å²	9	17.4 Å²	17.4	9%	0.093	9%	0.094	C	C	.	.			trans	70.3	-153.6	-175.1	0	0	0	0	0	112.4	S198 N346	S198-G352 WeakPolarHBondContact CB-O 3.15Å; N346-G352 WeakPolarHBondContact O-CA 3.42Å; N346-G352 PolarHBondContact O-N 3.14Å
353	H	97.9	Very high	97.2	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.093	9%	0.094	C	C	.	.	S	Bend	trans	-76.7	151.2	-176.6	-66.3	-178.5	0	0	0	111.8	D190 G194 C195 S198 N346 V357 M358	D190-H353 PolarHBondContact O-CE1 3.44Å; D190-H353 PolarHBondContact O-ND1 3.47Å; D190-H353 IonicContact OD1-CE1 3.3Å; D190-H353 PolarHBondContact OD1-CE1 3.37Å; D190-H353 VanDerWaalsContact OD1-CE1 3.24Å; D190-H353 IonicContact OD1-CG 3.78Å; D190-H353 IonicContact OD1-ND1 3.85Å; D190-H353 PolarHBondContact OD1-ND1 2.98Å; G194-H353 VanDerWaalsContact C-CD2 3.41Å; G194-H353 VanDerWaalsContact C-NE2 3.33Å; G194-H353 VanDerWaalsContact CA-CG 3.49Å; G194-H353 WeakPolarHBondContact CA-ND1 3.39Å; G194-H353 PolarHBondContact O-CD2 3.04Å; C195-H353 PolarHBondContact N-NE2 3.05Å; C195-H353 VanDerWaalsContact SG-CE1 3.59Å; C195-H353 PolarHBondContact SG-NE2 3.49Å; S198-H353 PolarHBondContact OG-CD2 3.45Å; S198-H353 PolarHBondContact OG-NE2 3.41Å; N346-H353 PolarHBondContact ND2-CD2 2.74Å; N346-H353 PolarHBondContact ND2-NE2 2.7Å; H353-V357 HydrophobicContact CB-CG1 4.44Å; H353-M358 HydrophobicContact CB-CG 3.94Å; H353-M358 HydrophobicContact CB-SD 3.59Å; H353-M358 VanDerWaalsContact CB-SD 3.59Å
354	P	98	Very high	97.3	Very high	43 Å²	43	15.4 Å²	15.4	28%	0.279	9%	0.087	S	C	.	.			trans	-63.4	150.9	176.8	26.7	-34	0	0	0	111.5	E197 F356 V357 M358	E197-P354 HydrophobicContact CB-CG 4.37Å; P354-F356 PolarHBondContact O-N 3.09Å; P354-F356 VanDerWaalsContact O-N 3.13Å; P354-V357 HydrophobicContact CG-CB 4.3Å; P354-V357 HydrophobicContact CG-CG2 3.97Å; P354-V357 PolarHBondContact O-N 3.09Å; P354-M358 PolarHBondContact O-N 3.08Å
355	S	98.6	Very high	97.5	Very high	21 Å²	21	14.8 Å²	14.8	15%	0.147	8%	0.083	C	C	.	.	H	α-helix	trans	-54.9	-37.4	-173.3	-52.9	0	0	0	0	113.8	M28 Q58 V357 M358 S359	M28-S355 WeakPolarHBondContact CG-O 3.29Å; Q58-S355 PolarHBondContact NE2-OG 2.92Å; S355-V357 VanDerWaalsContact C-N 3.34Å; S355-V357 PolarHBondContact O-N 2.73Å; S355-M358 PolarHBondContact O-N 2.78Å; S355-S359 WeakPolarHBondContact O-CB 3.38Å; S355-S359 PolarHBondContact O-N 2.82Å
356	F	98.7	Very high	97.5	Very high	34 Å²	34	14.8 Å²	14.8	15%	0.149	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-40	178.8	-169.3	-87.2	0	0	0	113	E27 P29 P354 S359 N360 H398 K401 L402	E27-F356 WeakPolarHBondContact O-CA 3.47Å; E27-F356 PolarHBondContact O-N 3.43Å; P29-F356 HydrophobicContact CG-CD2 4.34Å; P29-F356 HydrophobicContact CG-CE2 3.88Å; P354-F356 PolarHBondContact O-N 3.09Å; P354-F356 VanDerWaalsContact O-N 3.13Å; F356-S359 WeakPolarHBondContact O-CB 3.36Å; F356-S359 PolarHBondContact O-N 2.97Å; F356-N360 PolarHBondContact O-ND2 2.68Å; F356-H398 HydrophobicContact CZ-CB 3.93Å; F356-K401 HydrophobicContact CD2-CG 4.39Å; F356-K401 HydrophobicContact CE2-CB 4.24Å; F356-K401 HydrophobicContact CE2-CG 3.88Å; F356-L402 HydrophobicContact CE1-CD1 3.97Å; F356-L402 HydrophobicContact CE1-CD2 4.29Å; F356-L402 HydrophobicContact CE1-CG 4.36Å; F356-L402 HydrophobicContact CE2-CD2 3.91Å; F356-L402 HydrophobicContact CE2-CG 4.07Å; F356-L402 HydrophobicContact CZ-CD1 3.56Å; F356-L402 HydrophobicContact CZ-CD2 3.68Å; F356-L402 HydrophobicContact CZ-CG 3.56Å
357	V	97.8	Very high	97.6	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.055	8%	0.082	C	C	.	.	H	α-helix	trans	-67.6	-49.2	176.3	171.7	0	0	0	0	109.8	F189 D190 H353 P354 S355 S359 N360	F189-V357 HydrophobicContact CB-CG1 4.5Å; F189-V357 VanDerWaalsContact O-CG1 3.32Å; F189-V357 WeakPolarHBondContact O-CG1 3.3Å; D190-V357 VanDerWaalsContact CA-CG1 3.45Å; D190-V357 HydrophobicContact CB-CG1 4.36Å; H353-V357 HydrophobicContact CB-CG1 4.44Å; P354-V357 HydrophobicContact CG-CB 4.3Å; P354-V357 HydrophobicContact CG-CG2 3.97Å; P354-V357 PolarHBondContact O-N 3.09Å; S355-V357 VanDerWaalsContact C-N 3.34Å; S355-V357 PolarHBondContact O-N 2.73Å; V357-S359 PolarHBondContact O-N 3.1Å; V357-N360 WeakPolarHBondContact O-CB 3.47Å; V357-N360 PolarHBondContact O-N 2.83Å
358	M	98.3	Very high	97.8	Very high	21 Å²	21	13.8 Å²	13.8	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-27.4	178.5	-64.1	-46.7	-61.3	0	0	113.2	M28 Q58 H353 P354 S355 N360 S361 F362	M28-M358 HydrophobicContact CE-CB 4.21Å; Q58-M358 HydrophobicContact CB-CB 3.89Å; Q58-M358 HydrophobicContact CB-CG 4.13Å; Q58-M358 HydrophobicContact CG-CB 3.93Å; Q58-M358 HydrophobicContact CG-CG 3.97Å; H353-M358 HydrophobicContact CB-CG 3.94Å; H353-M358 HydrophobicContact CB-SD 3.59Å; H353-M358 VanDerWaalsContact CB-SD 3.59Å; P354-M358 PolarHBondContact O-N 3.08Å; S355-M358 PolarHBondContact O-N 2.78Å; M358-N360 PolarHBondContact O-N 2.93Å; M358-S361 PolarHBondContact O-N 2.9Å; M358-F362 HydrophobicContact CB-CD2 4.27Å; M358-F362 HydrophobicContact CB-CE2 4.1Å; M358-F362 HydrophobicContact CE-CD1 4.13Å; M358-F362 HydrophobicContact CE-CE1 3.35Å; M358-F362 HydrophobicContact CE-CE2 4.01Å; M358-F362 HydrophobicContact CE-CZ 3.29Å; M358-F362 VanDerWaalsContact O-CB 3.29Å; M358-F362 WeakPolarHBondContact O-CB 3.23Å; M358-F362 WeakPolarHBondContact O-CG 3.4Å; M358-F362 PolarHBondContact O-N 3.35Å
359	S	98.8	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.8	-35.3	172.4	-173.6	0	0	0	0	112.1	M28 G30 S355 F356 V357 T363 H398	M28-S359 VanDerWaalsContact CA-OG 3.28Å; M28-S359 WeakPolarHBondContact CA-OG 3.26Å; G30-S359 PolarHBondContact N-OG 2.91Å; S355-S359 WeakPolarHBondContact O-CB 3.38Å; S355-S359 PolarHBondContact O-N 2.82Å; F356-S359 WeakPolarHBondContact O-CB 3.36Å; F356-S359 PolarHBondContact O-N 2.97Å; V357-S359 PolarHBondContact O-N 3.1Å; S359-T363 WeakPolarHBondContact O-CB 3.2Å; S359-T363 PolarHBondContact O-N 3.27Å; S359-T363 PolarHBondContact O-OG1 2.73Å; S359-H398 VanDerWaalsContact C-NE2 3.26Å; S359-H398 WeakPolarHBondContact CB-NE2 3.3Å; S359-H398 PolarHBondContact O-NE2 2.81Å; S359-H398 PolarHBondContact OG-NE2 2.89Å
360	N	98.7	Very high	98.2	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-68.9	-51.8	177.6	-66.5	-92.1	0	0	0	110.6	T185 F189 F356 V357 M358 F362 T363 N364 V394 H398	T185-N360 WeakPolarHBondContact O-CB 3.37Å; F189-N360 HydrophobicContact CB-CB 4.32Å; F356-N360 PolarHBondContact O-ND2 2.68Å; V357-N360 WeakPolarHBondContact O-CB 3.47Å; V357-N360 PolarHBondContact O-N 2.83Å; M358-N360 PolarHBondContact O-N 2.93Å; N360-F362 PolarHBondContact O-N 2.78Å; N360-T363 PolarHBondContact O-N 3.25Å; N360-N364 PolarHBondContact O-N 3.25Å; N360-N364 PolarHBondContact O-ND2 3.44Å; N360-V394 HydrophobicContact CB-CG1 4.24Å; N360-H398 PolarHBondContact N-NE2 3.35Å; N360-H398 PolarHBondContact OD1-ND1 2.72Å
361	S	98.2	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-45.8	179.3	-41.1	0	0	0	0	112.2	E156 D190 M358 T363 N364 Q365	E156-S361 WeakPolarHBondContact OE1-CB 3.31Å; D190-S361 WeakPolarHBondContact CB-OG 3.39Å; M358-S361 PolarHBondContact O-N 2.9Å; S361-T363 VanDerWaalsContact C-N 3.34Å; S361-T363 PolarHBondContact O-N 3.03Å; S361-N364 WeakPolarHBondContact O-CA 3.43Å; S361-N364 VanDerWaalsContact O-CB 3.26Å; S361-N364 WeakPolarHBondContact O-CB 3.35Å; S361-N364 PolarHBondContact O-N 2.77Å; S361-Q365 PolarHBondContact O-N 3.16Å
362	F	98.8	Very high	98.4	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.052	C	C	.	.	H	α-helix	trans	-74.2	-26.3	-178	-65.2	-11.1	0	0	0	112.8	M28 L31 L53 Q58 L62 M358 N360 N364 Q365 V366	M28-F362 HydrophobicContact CE-CD2 3.82Å; M28-F362 HydrophobicContact CE-CE2 4.48Å; L31-F362 HydrophobicContact CD1-CB 4Å; L31-F362 HydrophobicContact CD1-CD2 4.48Å; L31-F362 HydrophobicContact CD2-CB 3.94Å; L31-F362 HydrophobicContact CG-CB 4.3Å; L53-F362 HydrophobicContact CD1-CE1 3.85Å; L53-F362 HydrophobicContact CD1-CZ 4.44Å; L53-F362 HydrophobicContact CD2-CE1 3.81Å; L53-F362 HydrophobicContact CD2-CZ 3.59Å; Q58-F362 HydrophobicContact CB-CD2 4.47Å; Q58-F362 HydrophobicContact CB-CE2 3.79Å; L62-F362 HydrophobicContact CB-CB 4.13Å; L62-F362 HydrophobicContact CB-CD2 3.73Å; L62-F362 HydrophobicContact CB-CE2 4.36Å; L62-F362 HydrophobicContact CB-CG 4.03Å; L62-F362 HydrophobicContact CD1-CB 4.16Å; L62-F362 HydrophobicContact CD2-CB 4.22Å; L62-F362 HydrophobicContact CD2-CD1 3.86Å; L62-F362 HydrophobicContact CD2-CD2 4.12Å; L62-F362 HydrophobicContact CD2-CE1 4.22Å; L62-F362 HydrophobicContact CD2-CE2 4.47Å; L62-F362 HydrophobicContact CD2-CG 3.81Å; L62-F362 HydrophobicContact CG-CB 4.39Å; L62-F362 HydrophobicContact CG-CG 4.36Å; M358-F362 HydrophobicContact CB-CD2 4.27Å; M358-F362 HydrophobicContact CB-CE2 4.1Å; M358-F362 HydrophobicContact CE-CD1 4.13Å; M358-F362 HydrophobicContact CE-CE1 3.35Å; M358-F362 HydrophobicContact CE-CE2 4.01Å; M358-F362 HydrophobicContact CE-CZ 3.29Å; M358-F362 VanDerWaalsContact O-CB 3.29Å; M358-F362 WeakPolarHBondContact O-CB 3.23Å; M358-F362 WeakPolarHBondContact O-CG 3.4Å; M358-F362 PolarHBondContact O-N 3.35Å; N360-F362 PolarHBondContact O-N 2.78Å; F362-N364 VanDerWaalsContact C-N 3.33Å; F362-Q365 PolarHBondContact O-N 3.26Å; F362-V366 WeakPolarHBondContact O-CG2 3.49Å; F362-V366 PolarHBondContact O-N 2.71Å
363	T	98.9	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-39.5	167.7	-58.6	0	0	0	0	110.4	G30 L31 S359 N360 S361 V366 L367 V394 L397	G30-T363 VanDerWaalsContact CA-OG1 3.29Å; G30-T363 WeakPolarHBondContact CA-OG1 3.5Å; L31-T363 PolarHBondContact N-OG1 3.46Å; S359-T363 WeakPolarHBondContact O-CB 3.2Å; S359-T363 PolarHBondContact O-N 3.27Å; S359-T363 PolarHBondContact O-OG1 2.73Å; N360-T363 PolarHBondContact O-N 3.25Å; S361-T363 VanDerWaalsContact C-N 3.34Å; S361-T363 PolarHBondContact O-N 3.03Å; T363-V366 PolarHBondContact O-N 2.74Å; T363-L367 HydrophobicContact CG2-CD1 4.43Å; T363-L367 WeakPolarHBondContact O-CG 3.09Å; T363-L367 PolarHBondContact O-N 3.42Å; T363-V394 HydrophobicContact CG2-CB 4.33Å; T363-V394 HydrophobicContact CG2-CG1 4.22Å; T363-V394 HydrophobicContact CG2-CG2 3.84Å; T363-L397 HydrophobicContact CG2-CD1 3.97Å
364	N	98.7	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-45.5	171.2	-77.5	-88.7	0	0	0	111.5	V180 S183 T185 N360 S361 F362 V366 L367 A368 L386	V180-N364 HydrophobicContact CG1-CB 3.43Å; V180-N364 VanDerWaalsContact CG1-CB 3.43Å; S183-N364 WeakPolarHBondContact CB-OD1 3.32Å; S183-N364 PolarHBondContact OG-OD1 3.02Å; T185-N364 PolarHBondContact OG1-ND2 3.32Å; T185-N364 PolarHBondContact OG1-OD1 3.43Å; N360-N364 PolarHBondContact O-N 3.25Å; N360-N364 PolarHBondContact O-ND2 3.44Å; S361-N364 WeakPolarHBondContact O-CA 3.43Å; S361-N364 VanDerWaalsContact O-CB 3.26Å; S361-N364 WeakPolarHBondContact O-CB 3.35Å; S361-N364 PolarHBondContact O-N 2.77Å; F362-N364 VanDerWaalsContact C-N 3.33Å; N364-V366 PolarHBondContact O-N 2.98Å; N364-L367 PolarHBondContact O-N 3.31Å; N364-A368 VanDerWaalsContact O-CB 3.32Å; N364-A368 WeakPolarHBondContact O-CB 3.48Å; N364-A368 PolarHBondContact O-N 3.43Å; N364-L386 HydrophobicContact CB-CD2 4.32Å; N364-L386 WeakPolarHBondContact OD1-CD2 3.48Å
365	Q	98.7	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.7	-47.7	176.3	-74.2	-75.3	21.2	0	0	112.1	L62 L129 S154 E156 V180 S361 F362 L367 A368 Q369	L62-Q365 HydrophobicContact CD1-CB 4.46Å; L129-Q365 HydrophobicContact CD1-CB 4.08Å; L129-Q365 HydrophobicContact CD1-CG 4.46Å; S154-Q365 PolarHBondContact OG-OE1 3.37Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.43Å; E156-Q365 PolarHBondContact OE2-NE2 3.09Å; V180-Q365 HydrophobicContact CG1-CG 4.38Å; S361-Q365 PolarHBondContact O-N 3.16Å; F362-Q365 PolarHBondContact O-N 3.26Å; Q365-L367 VanDerWaalsContact C-N 3.35Å; Q365-L367 PolarHBondContact O-N 3.08Å; Q365-A368 PolarHBondContact O-N 2.92Å; Q365-Q369 WeakPolarHBondContact O-CB 3.33Å; Q365-Q369 VanDerWaalsContact O-CG 3.25Å; Q365-Q369 WeakPolarHBondContact O-CG 3.26Å; Q365-Q369 PolarHBondContact O-N 3.28Å
366	V	98.9	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-46.3	177	169	0	0	0	0	111.1	L31 C34 L62 T65 L66 L69 F362 T363 N364 Q369 I370	L31-V366 HydrophobicContact CD2-CG2 3.82Å; C34-V366 HydrophobicContact CB-CG1 4.16Å; L62-V366 HydrophobicContact CD1-CG2 3.58Å; T65-V366 HydrophobicContact CG2-CG1 4.42Å; T65-V366 HydrophobicContact CG2-CG2 3.9Å; L66-V366 HydrophobicContact CD2-CG2 4.07Å; L69-V366 HydrophobicContact CD2-CG1 3.64Å; F362-V366 WeakPolarHBondContact O-CG2 3.49Å; F362-V366 PolarHBondContact O-N 2.71Å; T363-V366 PolarHBondContact O-N 2.74Å; N364-V366 PolarHBondContact O-N 2.98Å; V366-Q369 PolarHBondContact O-N 3.16Å; V366-I370 HydrophobicContact CG1-CD1 3.95Å; V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.19Å; V366-I370 PolarHBondContact O-N 2.96Å
367	L	98.7	Very high	98.1	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-38.1	179.1	-66	-177.4	0	0	0	112.1	Y38 T363 N364 Q365 I370 E371 L386 L390 V394	Y38-L367 HydrophobicContact CE2-CD2 3.87Å; T363-L367 HydrophobicContact CG2-CD1 4.43Å; T363-L367 WeakPolarHBondContact O-CG 3.09Å; T363-L367 PolarHBondContact O-N 3.42Å; N364-L367 PolarHBondContact O-N 3.31Å; Q365-L367 VanDerWaalsContact C-N 3.35Å; Q365-L367 PolarHBondContact O-N 3.08Å; L367-I370 HydrophobicContact CD2-CD1 4.36Å; L367-I370 PolarHBondContact O-N 2.83Å; L367-E371 VanDerWaalsContact O-CB 3.27Å; L367-E371 WeakPolarHBondContact O-CB 3.39Å; L367-E371 PolarHBondContact O-N 3.11Å; L367-L386 HydrophobicContact CB-CD2 4.48Å; L367-L390 HydrophobicContact CD1-CB 4.11Å; L367-V394 HydrophobicContact CD1-CG2 3.76Å
368	A	98.7	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-44.4	174.4	0	0	0	0	0	111.7	I178 V180 N364 Q365 E371 L372 L386	I178-A368 HydrophobicContact CB-CB 4.12Å; I178-A368 HydrophobicContact CD1-CB 4.11Å; I178-A368 HydrophobicContact CG2-CB 3.82Å; V180-A368 HydrophobicContact CG2-CB 3.8Å; N364-A368 VanDerWaalsContact O-CB 3.32Å; N364-A368 WeakPolarHBondContact O-CB 3.48Å; N364-A368 PolarHBondContact O-N 3.43Å; Q365-A368 PolarHBondContact O-N 2.92Å; A368-E371 PolarHBondContact O-N 3.48Å; A368-L372 WeakPolarHBondContact O-CB 3.29Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 2.91Å; A368-L386 HydrophobicContact CB-CD1 4.08Å
369	Q	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-44.2	176.3	-71.1	-67.4	-52	0	0	111.7	L44 I49 L66 I128 L129 S154 Q365 V366 W373	L44-Q369 HydrophobicContact CD2-CB 4.35Å; I49-Q369 HydrophobicContact CD1-CG 4.46Å; L66-Q369 HydrophobicContact CD2-CB 4.4Å; L66-Q369 HydrophobicContact CD2-CG 4.38Å; I128-Q369 PolarHBondContact O-NE2 3.2Å; L129-Q369 HydrophobicContact CD1-CG 4.16Å; S154-Q369 PolarHBondContact OG-NE2 2.98Å; Q365-Q369 WeakPolarHBondContact O-CB 3.33Å; Q365-Q369 VanDerWaalsContact O-CG 3.25Å; Q365-Q369 WeakPolarHBondContact O-CG 3.26Å; Q365-Q369 PolarHBondContact O-N 3.28Å; V366-Q369 PolarHBondContact O-N 3.16Å; Q369-W373 WeakPolarHBondContact O-CB 3.33Å; Q369-W373 PolarHBondContact O-N 2.85Å
370	I	98.7	Very high	97.9	Very high	16 Å²	16	30 Å²	30	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-47.3	174.8	-67.2	167	0	0	0	110.3	Y38 P43 L44 L69 V366 L367 W373 T374	Y38-I370 HydrophobicContact CD2-CD1 3.96Å; Y38-I370 HydrophobicContact CE2-CD1 4.29Å; Y38-I370 HydrophobicContact CG-CD1 4.13Å; P43-I370 HydrophobicContact CB-CG2 4.31Å; P43-I370 HydrophobicContact CG-CD1 4.26Å; P43-I370 HydrophobicContact CG-CG1 4.13Å; L44-I370 HydrophobicContact CD2-CG1 4.04Å; L44-I370 HydrophobicContact CG-CG1 4.21Å; L69-I370 HydrophobicContact CD2-CD1 3.61Å; L69-I370 HydrophobicContact CD2-CG1 4.09Å; V366-I370 HydrophobicContact CG1-CD1 3.95Å; V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.19Å; V366-I370 PolarHBondContact O-N 2.96Å; L367-I370 HydrophobicContact CD2-CD1 4.36Å; L367-I370 PolarHBondContact O-N 2.83Å; I370-W373 PolarHBondContact O-N 3.15Å; I370-T374 HydrophobicContact CG2-CG2 4.3Å; I370-T374 WeakPolarHBondContact O-CB 3.09Å; I370-T374 WeakPolarHBondContact O-CG2 3.47Å; I370-T374 PolarHBondContact O-N 2.98Å; I370-T374 PolarHBondContact O-OG1 3.04Å
371	E	98.2	Very high	97.8	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-50.6	-175.3	-167.5	67.9	-167.6	0	0	111.2	I178 L367 A368 K375 Y379 L390	I178-E371 HydrophobicContact CD1-CB 4.29Å; I178-E371 HydrophobicContact CD1-CG 4.43Å; L367-E371 VanDerWaalsContact O-CB 3.27Å; L367-E371 WeakPolarHBondContact O-CB 3.39Å; L367-E371 PolarHBondContact O-N 3.11Å; A368-E371 PolarHBondContact O-N 3.48Å; E371-K375 WeakPolarHBondContact O-CA 3.11Å; E371-K375 WeakPolarHBondContact O-CB 3.36Å; E371-K375 PolarHBondContact O-N 2.8Å; E371-K375 WeakPolarHBondContact OE1-CD 3.47Å; E371-K375 IonicContact OE1-NZ 2.9Å; E371-K375 PolarHBondContact OE1-NZ 3.13Å; E371-K375 IonicContact OE2-NZ 2.66Å; E371-K375 PolarHBondContact OE2-NZ 3.03Å; E371-Y379 HydrophobicContact CG-CE2 3.76Å; E371-Y379 WeakPolarHBondContact CG-OH 3.29Å; E371-Y379 PolarHBondContact OE1-OH 3.14Å; E371-L390 HydrophobicContact CB-CD1 4.47Å; E371-L390 HydrophobicContact CG-CD1 4.37Å
372	L	98.3	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-41.8	176.8	-75	166.3	0	0	0	112.4	M127 L153 P176 I178 A368 S376 Y379	M127-L372 HydrophobicContact CE-CB 3.73Å; M127-L372 HydrophobicContact CE-CD1 4.28Å; L153-L372 VanDerWaalsContact O-CD1 3.23Å; L153-L372 WeakPolarHBondContact O-CD1 3.36Å; P176-L372 HydrophobicContact CB-CD2 4.27Å; P176-L372 HydrophobicContact CG-CD2 4.31Å; I178-L372 HydrophobicContact CB-CD1 4.2Å; I178-L372 HydrophobicContact CD1-CD1 4.02Å; I178-L372 HydrophobicContact CD1-CD2 4.16Å; I178-L372 HydrophobicContact CD1-CG 3.66Å; I178-L372 HydrophobicContact CG1-CD1 3.92Å; I178-L372 HydrophobicContact CG1-CD2 4.05Å; I178-L372 HydrophobicContact CG1-CG 3.91Å; A368-L372 WeakPolarHBondContact O-CB 3.29Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 2.91Å; L372-S376 VanDerWaalsContact O-CA 3.27Å; L372-S376 WeakPolarHBondContact O-CA 3.41Å; L372-S376 VanDerWaalsContact O-CB 3.24Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 2.83Å; L372-Y379 HydrophobicContact CD2-CD2 4.29Å; L372-Y379 HydrophobicContact CD2-CG 4.2Å
373	W	98.5	Very high	97.8	Very high	32 Å²	32	34.3 Å²	34.3	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-41.6	-176.3	-178.7	-109.5	0	0	0	113	L44 K45 G46 A47 N126 M127 K151 Q369 I370	L44-W373 HydrophobicContact CD2-CB 4.01Å; L44-W373 HydrophobicContact CD2-CG 4.27Å; K45-W373 PolarHBondContact O-NE1 3.03Å; G46-W373 WeakPolarHBondContact O-CH2 3.32Å; G46-W373 WeakPolarHBondContact O-CZ2 3.24Å; A47-W373 HydrophobicContact CB-CD2 3.82Å; A47-W373 HydrophobicContact CB-CE3 4.07Å; A47-W373 HydrophobicContact CB-CG 4.24Å; A47-W373 HydrophobicContact CB-CZ2 4.29Å; A47-W373 HydrophobicContact CB-CZ3 4.42Å; A47-W373 VanDerWaalsContact N-CZ2 3.33Å; N126-W373 HydrophobicContact CB-CZ3 4.26Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.46Å; N126-W373 WeakPolarHBondContact OD1-CZ3 3.41Å; M127-W373 HydrophobicContact CG-CE3 3.64Å; M127-W373 HydrophobicContact CG-CZ3 4.18Å; M127-W373 HydrophobicContact SD-CB 4.46Å; M127-W373 HydrophobicContact SD-CE3 3.84Å; K151-W373 HydrophobicContact CB-CE3 4.25Å; K151-W373 HydrophobicContact CB-CZ3 4.42Å; K151-W373 HydrophobicContact CD-CD2 4.29Å; K151-W373 HydrophobicContact CD-CE3 3.56Å; K151-W373 HydrophobicContact CD-CH2 4.38Å; K151-W373 HydrophobicContact CD-CZ3 3.61Å; K151-W373 HydrophobicContact CG-CE3 4.14Å; K151-W373 HydrophobicContact CG-CZ3 3.95Å; K151-W373 PolarHBondContact NZ-O 3.36Å; K151-W373 VanDerWaalsContact NZ-O 3.09Å; Q369-W373 WeakPolarHBondContact O-CB 3.33Å; Q369-W373 PolarHBondContact O-N 2.85Å; I370-W373 PolarHBondContact O-N 3.15Å
374	T	98.2	Very high	97.8	Very high	67 Å²	67	37 Å²	37	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-92.7	-19.5	-172.1	64.9	0	0	0	0	113.8	P43 I370	P43-T374 HydrophobicContact CB-CG2 4.18Å; I370-T374 HydrophobicContact CG2-CG2 4.3Å; I370-T374 WeakPolarHBondContact O-CB 3.09Å; I370-T374 WeakPolarHBondContact O-CG2 3.47Å; I370-T374 PolarHBondContact O-N 2.98Å; I370-T374 PolarHBondContact O-OG1 3.04Å
375	K	97.2	Very high	97.6	Very high	70 Å²	70	40.2 Å²	40.2	30%	0.304	22%	0.22	S	C	.	.			trans	-133.3	36.3	-178.5	-56.2	166.5	-174	163.2	0	112	E371 D377 K378 Y379	E371-K375 WeakPolarHBondContact O-CA 3.11Å; E371-K375 WeakPolarHBondContact O-CB 3.36Å; E371-K375 PolarHBondContact O-N 2.8Å; E371-K375 WeakPolarHBondContact OE1-CD 3.47Å; E371-K375 IonicContact OE1-NZ 2.9Å; E371-K375 PolarHBondContact OE1-NZ 3.13Å; E371-K375 IonicContact OE2-NZ 2.66Å; E371-K375 PolarHBondContact OE2-NZ 3.03Å; K375-D377 PolarHBondContact O-N 3.14Å; K375-D377 VanDerWaalsContact O-N 3.07Å; K375-K378 HydrophobicContact CB-CD 4.1Å; K375-K378 HydrophobicContact CB-CG 4.2Å; K375-K378 HydrophobicContact CD-CD 4.35Å; K375-K378 WeakPolarHBondContact O-CB 3.49Å; K375-K378 PolarHBondContact O-N 3.45Å; K375-Y379 WeakPolarHBondContact O-CD2 3.42Å
376	S	92.9	Very high	97.4	Very high	40 Å²	40	40.5 Å²	40.5	28%	0.28	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-53.4	-30.7	-177.4	52.8	0	0	0	0	113.8	L372 K378 Y379	L372-S376 VanDerWaalsContact O-CA 3.27Å; L372-S376 WeakPolarHBondContact O-CA 3.41Å; L372-S376 VanDerWaalsContact O-CB 3.24Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 2.83Å; S376-K378 PolarHBondContact O-N 2.91Å; S376-Y379 PolarHBondContact O-N 3.23Å
377	D	95.1	Very high	97.2	Very high	139 Å²	139	42.5 Å²	42.5	74%	0.743	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.2	-17.7	177.6	61.3	-50.6	0	0	0	113.9	K375	K375-D377 PolarHBondContact O-N 3.14Å; K375-D377 VanDerWaalsContact O-N 3.07Å
378	K	96.1	Very high	97.1	Very high	141 Å²	141	44.1 Å²	44.1	61%	0.613	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-84.4	-10.3	177.1	-60.9	-167.2	179.8	-173.1	0	113.9	K375 S376	K375-K378 HydrophobicContact CB-CD 4.1Å; K375-K378 HydrophobicContact CB-CG 4.2Å; K375-K378 HydrophobicContact CD-CD 4.35Å; K375-K378 WeakPolarHBondContact O-CB 3.49Å; K375-K378 PolarHBondContact O-N 3.45Å; S376-K378 PolarHBondContact O-N 2.91Å
379	Y	97.3	Very high	97	Very high	32 Å²	32	47.6 Å²	47.6	13%	0.125	26%	0.259	C	S	.	.			trans	-116.7	105.7	-173.6	-65	-83.6	0	0	0	110.3	I178 E371 L372 K375 S376 H384	I178-Y379 HydrophobicContact CD1-CE1 4.45Å; E371-Y379 HydrophobicContact CG-CE2 3.76Å; E371-Y379 WeakPolarHBondContact CG-OH 3.29Å; E371-Y379 PolarHBondContact OE1-OH 3.14Å; L372-Y379 HydrophobicContact CD2-CD2 4.29Å; L372-Y379 HydrophobicContact CD2-CG 4.2Å; K375-Y379 WeakPolarHBondContact O-CD2 3.42Å; S376-Y379 PolarHBondContact O-N 3.23Å; Y379-H384 HydrophobicContact CD1-CB 4.15Å; Y379-H384 AromaticContact CD1-CD2 3.71Å; Y379-H384 AromaticContact CD1-CG 3.7Å; Y379-H384 HydrophobicContact CE1-CB 4.21Å
380	A	97.4	Very high	97	Very high	71 Å²	71	48.7 Å²	48.7	59%	0.587	27%	0.265	S	S	*	.			trans	-65.8	156.5	166.1	0	0	0	0	0	110.3	G382 H384	A380-G382 PolarHBondContact O-N 2.86Å; A380-H384 PolarHBondContact O-NE2 3.08Å
381	V	98.1	Very high	97	Very high	69 Å²	69	48.4 Å²	48.4	42%	0.418	26%	0.263	S	S	.	.	S	Bend	trans	-54.1	126.6	169.7	175.8	0	0	0	0	109	F168 L173	F168-V381 WeakPolarHBondContact CE2-O 3.48Å; L173-V381 HydrophobicContact CG-CG1 4.32Å; L173-V381 WeakPolarHBondContact O-CG1 3.48Å
382	G	98.2	Very high	97	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.8	174.6	-168.4	0	0	0	0	0	111.4	A177 A380 H384	A177-G382 PolarHBondContact N-O 2.98Å; A380-G382 PolarHBondContact O-N 2.86Å; G382-H384 PolarHBondContact O-CD2 3.19Å
383	V	98.3	Very high	97	Very high	21 Å²	21	51.3 Å²	51.3	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.6	179.8	-172.3	0	0	0	0	108.9	L164 Y165 F168 L173 A177 N179	L164-V383 HydrophobicContact CB-CG2 3.74Å; Y165-V383 HydrophobicContact CD1-CB 3.88Å; Y165-V383 HydrophobicContact CD1-CG1 4.24Å; Y165-V383 HydrophobicContact CD1-CG2 4.01Å; Y165-V383 HydrophobicContact CD2-CG1 4.49Å; Y165-V383 HydrophobicContact CE1-CB 3.55Å; Y165-V383 HydrophobicContact CE1-CG1 3.74Å; Y165-V383 HydrophobicContact CE1-CG2 4.22Å; Y165-V383 HydrophobicContact CE2-CG1 4.03Å; Y165-V383 HydrophobicContact CG-CG2 4.42Å; F168-V383 HydrophobicContact CB-CG2 4.38Å; L173-V383 HydrophobicContact CD2-CG2 4.05Å; A177-V383 HydrophobicContact CB-CG2 4.49Å; N179-V383 HydrophobicContact CB-CG1 3.88Å
384	H	97.7	Very high	97	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.255	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.7	-177.3	-53.4	-87	0	0	0	109.9	A177 I178 N179 Y379 A380 G382	A177-H384 PolarHBondContact O-CD2 3Å; A177-H384 PolarHBondContact O-N 3.26Å; I178-H384 CarbonylContact C-O 3.49Å; I178-H384 WeakPolarHBondContact CA-O 3.43Å; N179-H384 WeakPolarHBondContact CB-O 3.35Å; N179-H384 PolarHBondContact N-O 3.49Å; Y379-H384 HydrophobicContact CD1-CB 4.15Å; Y379-H384 AromaticContact CD1-CD2 3.71Å; Y379-H384 AromaticContact CD1-CG 3.7Å; Y379-H384 HydrophobicContact CE1-CB 4.21Å; A380-H384 PolarHBondContact O-NE2 3.08Å; G382-H384 PolarHBondContact O-CD2 3.19Å
385	V	95.2	Very high	97	Very high	69 Å²	69	48 Å²	48	42%	0.418	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.7	169.4	-177.1	0	0	0	0	108.7
386	L	93.7	Very high	97	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-54.7	133.1	175.3	-165	72	0	0	0	109.9	I178 S183 N364 L367 A368 K388 L390	I178-L386 HydrophobicContact CD1-CD1 4.34Å; I178-L386 HydrophobicContact CG2-CB 4.24Å; I178-L386 HydrophobicContact CG2-CD1 4.2Å; S183-L386 WeakPolarHBondContact OG-CB 3.27Å; N364-L386 HydrophobicContact CB-CD2 4.32Å; N364-L386 WeakPolarHBondContact OD1-CD2 3.48Å; L367-L386 HydrophobicContact CB-CD2 4.48Å; A368-L386 HydrophobicContact CB-CD1 4.08Å; L386-K388 PolarHBondContact O-N 3.31Å; L386-L390 HydrophobicContact CD1-CB 4.42Å; L386-L390 HydrophobicContact CD1-CD1 3.95Å; L386-L390 HydrophobicContact CD2-CB 3.87Å; L386-L390 HydrophobicContact CG-CB 3.92Å; L386-L390 HydrophobicContact CG-CD1 4.28Å
387	P	95.5	Very high	97.3	Very high	42 Å²	42	47.7 Å²	47.7	27%	0.273	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-52.5	135	177.7	-28.3	33.4	0	0	0	112	I389 L390 D391	P387-I389 HydrophobicContact CB-CG2 4.32Å; P387-I389 PolarHBondContact O-N 3.25Å; P387-L390 HydrophobicContact CB-CG 4.4Å; P387-L390 HydrophobicContact CG-CD1 4.27Å; P387-L390 WeakPolarHBondContact O-CA 3.23Å; P387-L390 WeakPolarHBondContact O-CB 3.45Å; P387-L390 PolarHBondContact O-N 3.18Å; P387-D391 PolarHBondContact O-N 2.96Å
388	K	97	Very high	97.4	Very high	37 Å²	37	41.2 Å²	41.2	16%	0.161	23%	0.232	C	C	.	.	H	α-helix	trans	-54.2	-32.8	-174.6	-168.1	177.8	-60	-65.6	0	114	L386 L390 D391 E392 P424 K426 P427 D428	L386-K388 PolarHBondContact O-N 3.31Å; K388-L390 VanDerWaalsContact C-N 3.3Å; K388-L390 PolarHBondContact O-N 3.34Å; K388-D391 WeakPolarHBondContact O-CB 3.45Å; K388-D391 PolarHBondContact O-N 3.04Å; K388-E392 WeakPolarHBondContact O-CG 3.45Å; K388-E392 PolarHBondContact O-N 2.98Å; K388-P424 HydrophobicContact CB-CB 4.22Å; K388-P424 HydrophobicContact CD-CB 4.01Å; K388-P424 HydrophobicContact CG-CB 4.18Å; K388-K426 HydrophobicContact CD-CB 4.36Å; K388-K426 WeakPolarHBondContact CD-O 3.38Å; K388-K426 WeakPolarHBondContact CE-O 3.48Å; K388-P427 VanDerWaalsContact CE-O 3.28Å; K388-P427 WeakPolarHBondContact CE-O 3.32Å; K388-P427 PolarHBondContact NZ-O 3.42Å; K388-D428 VanDerWaalsContact CE-OD1 3.22Å; K388-D428 WeakPolarHBondContact CE-OD1 3.29Å
389	I	97.2	Very high	97.5	Very high	74 Å²	74	36.4 Å²	36.4	38%	0.379	21%	0.213	S	C	.	.	H	α-helix	trans	-65.5	-31.9	176.5	-167.4	61	0	0	0	113	P387 E393 T422	P387-I389 HydrophobicContact CB-CG2 4.32Å; P387-I389 PolarHBondContact O-N 3.25Å; I389-E393 WeakPolarHBondContact O-CB 3.2Å; I389-E393 PolarHBondContact O-N 3.35Å; I389-T422 WeakPolarHBondContact CD1-O 3.29Å
390	L	97.9	Very high	97.5	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-77.4	-34.2	175.9	-62.7	-176.6	0	0	0	111	L367 E371 L386 P387 K388 E393 V394	L367-L390 HydrophobicContact CD1-CB 4.11Å; E371-L390 HydrophobicContact CB-CD1 4.47Å; E371-L390 HydrophobicContact CG-CD1 4.37Å; L386-L390 HydrophobicContact CD1-CB 4.42Å; L386-L390 HydrophobicContact CD1-CD1 3.95Å; L386-L390 HydrophobicContact CD2-CB 3.87Å; L386-L390 HydrophobicContact CG-CB 3.92Å; L386-L390 HydrophobicContact CG-CD1 4.28Å; P387-L390 HydrophobicContact CB-CG 4.4Å; P387-L390 HydrophobicContact CG-CD1 4.27Å; P387-L390 WeakPolarHBondContact O-CA 3.23Å; P387-L390 WeakPolarHBondContact O-CB 3.45Å; P387-L390 PolarHBondContact O-N 3.18Å; K388-L390 VanDerWaalsContact C-N 3.3Å; K388-L390 PolarHBondContact O-N 3.34Å; L390-E393 WeakPolarHBondContact O-CB 3.44Å; L390-E393 PolarHBondContact O-N 3.02Å; L390-V394 WeakPolarHBondContact O-CG2 3.03Å; L390-V394 PolarHBondContact O-N 3.04Å
391	D	98.2	Very high	97.5	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-42.8	172.1	-164.3	2.4	0	0	0	111.4	V184 T185 P387 K388 E393 V394 A395	V184-D391 WeakPolarHBondContact CA-OD2 3.32Å; V184-D391 WeakPolarHBondContact CB-OD2 3.43Å; V184-D391 WeakPolarHBondContact CG2-OD2 2.92Å; V184-D391 PolarHBondContact N-OD1 2.85Å; V184-D391 PolarHBondContact N-OD2 3.45Å; T185-D391 WeakPolarHBondContact CB-OD1 3.42Å; T185-D391 WeakPolarHBondContact CG2-O 2.93Å; T185-D391 VanDerWaalsContact CG2-OD1 3.31Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.23Å; T185-D391 PolarHBondContact N-OD1 2.88Å; T185-D391 PolarHBondContact OG1-OD1 2.99Å; P387-D391 PolarHBondContact O-N 2.96Å; K388-D391 WeakPolarHBondContact O-CB 3.45Å; K388-D391 PolarHBondContact O-N 3.04Å; D391-E393 VanDerWaalsContact C-N 3.34Å; D391-E393 PolarHBondContact O-N 3.14Å; D391-V394 WeakPolarHBondContact O-CB 3.41Å; D391-V394 PolarHBondContact O-N 3.45Å; D391-A395 PolarHBondContact O-N 3.42Å; D391-A395 VanDerWaalsContact O-N 3.17Å
392	E	98.4	Very high	97.5	Very high	40 Å²	40	45.4 Å²	45.4	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-35.8	170.3	-71.5	175.1	177.7	0	0	112.6	K388 A395 S396 P424 F425	K388-E392 WeakPolarHBondContact O-CG 3.45Å; K388-E392 PolarHBondContact O-N 2.98Å; E392-A395 PolarHBondContact O-N 3.32Å; E392-S396 WeakPolarHBondContact O-CB 3.3Å; E392-S396 PolarHBondContact O-N 3.49Å; E392-P424 WeakPolarHBondContact OE2-CA 3.33Å; E392-F425 PolarHBondContact OE1-N 2.89Å; E392-F425 WeakPolarHBondContact OE2-CD2 3.15Å
393	E	98	Very high	97.5	Very high	37 Å²	37	48 Å²	48	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-46.3	172.1	-179.9	170	156.9	0	0	110.7	K37 Y38 I389 L390 D391 A395 S396 L397	K37-E393 IonicContact NZ-OE1 2.69Å; K37-E393 PolarHBondContact NZ-OE1 3.01Å; K37-E393 IonicContact NZ-OE2 3.14Å; K37-E393 PolarHBondContact NZ-OE2 2.89Å; Y38-E393 PolarHBondContact OH-OE1 2.93Å; I389-E393 WeakPolarHBondContact O-CB 3.2Å; I389-E393 PolarHBondContact O-N 3.35Å; L390-E393 WeakPolarHBondContact O-CB 3.44Å; L390-E393 PolarHBondContact O-N 3.02Å; D391-E393 VanDerWaalsContact C-N 3.34Å; D391-E393 PolarHBondContact O-N 3.14Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 2.88Å; E393-S396 PolarHBondContact O-N 2.91Å; E393-S396 VanDerWaalsContact O-N 3.17Å; E393-L397 HydrophobicContact CG-CD1 4.02Å; E393-L397 HydrophobicContact CG-CG 4.21Å; E393-L397 VanDerWaalsContact O-CG 3.26Å; E393-L397 WeakPolarHBondContact O-CG 3.43Å; E393-L397 PolarHBondContact O-N 2.84Å
394	V	98.5	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-53.2	-52.8	175.8	175.1	0	0	0	0	109.9	T185 N360 T363 L367 L390 D391 S396 L397 H398	T185-V394 HydrophobicContact CG2-CB 4.05Å; T185-V394 HydrophobicContact CG2-CG1 3.99Å; T185-V394 WeakPolarHBondContact OG1-CB 3.43Å; T185-V394 WeakPolarHBondContact OG1-CG1 3.42Å; N360-V394 HydrophobicContact CB-CG1 4.24Å; T363-V394 HydrophobicContact CG2-CB 4.33Å; T363-V394 HydrophobicContact CG2-CG1 4.22Å; T363-V394 HydrophobicContact CG2-CG2 3.84Å; L367-V394 HydrophobicContact CD1-CG2 3.76Å; L390-V394 WeakPolarHBondContact O-CG2 3.03Å; L390-V394 PolarHBondContact O-N 3.04Å; D391-V394 WeakPolarHBondContact O-CB 3.41Å; D391-V394 PolarHBondContact O-N 3.45Å; V394-S396 VanDerWaalsContact C-N 3.34Å; V394-S396 PolarHBondContact O-N 2.86Å; V394-L397 PolarHBondContact O-N 2.81Å; V394-H398 PolarHBondContact O-ND1 3.01Å
395	A	98.5	Very high	97.5	Very high	31 Å²	31	57.1 Å²	57.1	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-48.3	-180	0	0	0	0	0	111.1	T185 D391 E392 E393 L397 H398 L399	T185-A395 HydrophobicContact CG2-CB 3.67Å; D391-A395 PolarHBondContact O-N 3.42Å; D391-A395 VanDerWaalsContact O-N 3.17Å; E392-A395 PolarHBondContact O-N 3.32Å; E393-A395 VanDerWaalsContact C-N 3.33Å; E393-A395 PolarHBondContact O-N 2.88Å; A395-L397 VanDerWaalsContact C-N 3.26Å; A395-L397 PolarHBondContact O-N 3.28Å; A395-H398 PolarHBondContact O-N 3.37Å; A395-H398 VanDerWaalsContact O-N 3.09Å; A395-L399 WeakPolarHBondContact O-CG 3.43Å
396	S	98	Very high	97.6	Very high	64 Å²	64	59.3 Å²	59.3	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-35.7	-178.8	-173.2	0	0	0	0	112.9	E392 E393 V394 H398 L399	E392-S396 WeakPolarHBondContact O-CB 3.3Å; E392-S396 PolarHBondContact O-N 3.49Å; E393-S396 PolarHBondContact O-N 2.91Å; E393-S396 VanDerWaalsContact O-N 3.17Å; V394-S396 VanDerWaalsContact C-N 3.34Å; V394-S396 PolarHBondContact O-N 2.86Å; S396-H398 PolarHBondContact O-N 2.82Å; S396-L399 PolarHBondContact O-N 3.09Å
397	L	98.3	Very high	97.9	Very high	38 Å²	38	65.1 Å²	65.1	20%	0.199	36%	0.355	C	S	.	.	H	α-helix	trans	-69.4	-16.3	-179.3	-69	174.5	0	0	0	113.4	A33 T363 E393 V394 A395	A33-L397 HydrophobicContact CB-CB 4.26Å; A33-L397 HydrophobicContact CB-CD1 4.29Å; A33-L397 HydrophobicContact CB-CD2 3.48Å; A33-L397 VanDerWaalsContact CB-CD2 3.48Å; A33-L397 HydrophobicContact CB-CG 4.19Å; T363-L397 HydrophobicContact CG2-CD1 3.97Å; E393-L397 HydrophobicContact CG-CD1 4.02Å; E393-L397 HydrophobicContact CG-CG 4.21Å; E393-L397 VanDerWaalsContact O-CG 3.26Å; E393-L397 WeakPolarHBondContact O-CG 3.43Å; E393-L397 PolarHBondContact O-N 2.84Å; V394-L397 PolarHBondContact O-N 2.81Å; A395-L397 VanDerWaalsContact C-N 3.26Å; A395-L397 PolarHBondContact O-N 3.28Å
398	H	98.6	Very high	98	Very high	4 Å²	4	72 Å²	72	2%	0.019	38%	0.381	C	S	.	.	H	α-helix	trans	-97.8	-16.5	179.8	-65.9	78.8	0	0	0	113.3	P29 F356 S359 N360 V394 A395 S396 E400 K401	P29-H398 HydrophobicContact CG-CB 4.41Å; F356-H398 HydrophobicContact CZ-CB 3.93Å; S359-H398 VanDerWaalsContact C-NE2 3.26Å; S359-H398 WeakPolarHBondContact CB-NE2 3.3Å; S359-H398 PolarHBondContact O-NE2 2.81Å; S359-H398 PolarHBondContact OG-NE2 2.89Å; N360-H398 PolarHBondContact N-NE2 3.35Å; N360-H398 PolarHBondContact OD1-ND1 2.72Å; V394-H398 PolarHBondContact O-ND1 3.01Å; A395-H398 PolarHBondContact O-N 3.37Å; A395-H398 VanDerWaalsContact O-N 3.09Å; S396-H398 PolarHBondContact O-N 2.82Å; H398-E400 PolarHBondContact O-N 3.08Å; H398-K401 PolarHBondContact O-N 2.87Å
399	L	98.2	Very high	98	Very high	39 Å²	39	72 Å²	72	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-39.8	-171.3	-65.1	-171.7	0	0	0	113.8	A395 S396 K401 L402 G403 V404 L406	A395-L399 WeakPolarHBondContact O-CG 3.43Å; S396-L399 PolarHBondContact O-N 3.09Å; L399-K401 VanDerWaalsContact C-N 3.32Å; L399-K401 PolarHBondContact O-N 3.12Å; L399-L402 PolarHBondContact O-N 2.92Å; L399-L402 VanDerWaalsContact O-N 3.14Å; L399-G403 PolarHBondContact O-N 2.96Å; L399-V404 HydrophobicContact CB-CB 3.99Å; L399-V404 HydrophobicContact CB-CG1 4.33Å; L399-V404 HydrophobicContact CD1-CG1 4.22Å; L399-V404 HydrophobicContact CD2-CB 4.13Å; L399-V404 HydrophobicContact CD2-CG1 4.02Å; L399-V404 HydrophobicContact CD2-CG2 4.42Å; L399-V404 HydrophobicContact CG-CB 4.49Å; L399-V404 HydrophobicContact CG-CG1 4.4Å; L399-V404 PolarHBondContact O-N 3.37Å; L399-L406 HydrophobicContact CD1-CB 4.07Å; L399-L406 HydrophobicContact CD1-CD1 4.11Å; L399-L406 HydrophobicContact CD1-CD2 4.11Å; L399-L406 HydrophobicContact CD1-CG 4.33Å
400	E	96.9	Very high	98.1	Very high	181 Å²	181	72.1 Å²	72.1	85%	0.846	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61	-42.2	-177.3	-176.8	175.6	-171.4	0	0	111.5	H398 L402 G403	H398-E400 PolarHBondContact O-N 3.08Å; E400-L402 PolarHBondContact O-N 3.31Å; E400-G403 PolarHBondContact O-N 3.44Å
401	K	97.5	Very high	98.1	Very high	75 Å²	75	78 Å²	78	33%	0.326	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-60.6	-30.4	178.3	178.9	67.1	-176.1	-161.6	0	112.6	N26 E27 P29 F356 H398 L399	N26-K401 PolarHBondContact ND2-NZ 3.31Å; N26-K401 VanDerWaalsContact O-CE 3.3Å; N26-K401 WeakPolarHBondContact O-CE 3.4Å; N26-K401 PolarHBondContact O-NZ 3.49Å; E27-K401 WeakPolarHBondContact OE1-CE 3.26Å; E27-K401 IonicContact OE1-NZ 3.02Å; E27-K401 PolarHBondContact OE1-NZ 3.43Å; P29-K401 HydrophobicContact CB-CB 3.9Å; P29-K401 HydrophobicContact CB-CG 4.37Å; P29-K401 HydrophobicContact CG-CB 3.77Å; P29-K401 HydrophobicContact CG-CG 4.03Å; F356-K401 HydrophobicContact CD2-CG 4.39Å; F356-K401 HydrophobicContact CE2-CB 4.24Å; F356-K401 HydrophobicContact CE2-CG 3.88Å; H398-K401 PolarHBondContact O-N 2.87Å; L399-K401 VanDerWaalsContact C-N 3.32Å; L399-K401 PolarHBondContact O-N 3.12Å
402	L	98	Very high	98.1	Very high	106 Å²	106	86 Å²	86	56%	0.555	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-90.8	2	177.7	-60.8	-179.9	0	0	0	113.3	F356 L399 E400 V404	F356-L402 HydrophobicContact CE1-CD1 3.97Å; F356-L402 HydrophobicContact CE1-CD2 4.29Å; F356-L402 HydrophobicContact CE1-CG 4.36Å; F356-L402 HydrophobicContact CE2-CD2 3.91Å; F356-L402 HydrophobicContact CE2-CG 4.07Å; F356-L402 HydrophobicContact CZ-CD1 3.56Å; F356-L402 HydrophobicContact CZ-CD2 3.68Å; F356-L402 HydrophobicContact CZ-CG 3.56Å; L399-L402 PolarHBondContact O-N 2.92Å; L399-L402 VanDerWaalsContact O-N 3.14Å; E400-L402 PolarHBondContact O-N 3.31Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.03Å
403	G	98	Very high	98.1	Very high	58 Å²	58	88.5 Å²	88.5	60%	0.598	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	17.5	-175.9	0	0	0	0	0	114.1	L399 E400	L399-G403 PolarHBondContact O-N 2.96Å; E400-G403 PolarHBondContact O-N 3.44Å
404	V	98.4	Very high	98.2	Very high	71 Å²	71	87 Å²	87	43%	0.43	45%	0.454	S	S	.	.			trans	-76	126.8	-179.7	175.5	0	0	0	0	109.9	L399 L402	L399-V404 HydrophobicContact CB-CB 3.99Å; L399-V404 HydrophobicContact CB-CG1 4.33Å; L399-V404 HydrophobicContact CD1-CG1 4.22Å; L399-V404 HydrophobicContact CD2-CB 4.13Å; L399-V404 HydrophobicContact CD2-CG1 4.02Å; L399-V404 HydrophobicContact CD2-CG2 4.42Å; L399-V404 HydrophobicContact CG-CB 4.49Å; L399-V404 HydrophobicContact CG-CG1 4.4Å; L399-V404 PolarHBondContact O-N 3.37Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.03Å
405	K	98.2	Very high	98.2	Very high	197 Å²	197	92.2 Å²	92.2	86%	0.857	49%	0.485	S	S	*	.			trans	-101.7	98.6	177	-64.1	-179.9	-177.5	177	0	110	T407	K405-T407 PolarHBondContact O-N 3.46Å
406	L	97.7	Very high	98.1	Very high	114 Å²	114	100.2 Å²	100.2	60%	0.597	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-70.8	126.9	-177.3	-167.7	64.9	0	0	0	111.5	L399	L399-L406 HydrophobicContact CD1-CB 4.07Å; L399-L406 HydrophobicContact CD1-CD1 4.11Å; L399-L406 HydrophobicContact CD1-CD2 4.11Å; L399-L406 HydrophobicContact CD1-CG 4.33Å
407	T	98.1	Very high	98.1	Very high	127 Å²	127	102 Å²	102	78%	0.779	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-72.3	138.5	174.4	-63.9	0	0	0	0	110.1	K405	K405-T407 PolarHBondContact O-N 3.46Å
408	K	98	Very high	98.1	Very high	186 Å²	186	103.5 Å²	103.5	81%	0.809	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-100.4	133.4	174	-64.9	-175	179.3	-177.9	0	110.2	T410	K408-T410 PolarHBondContact O-N 2.92Å
409	L	97.9	Very high	98	Very high	39 Å²	39	105.5 Å²	105.5	20%	0.204	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-62.2	134.9	171.1	-68.5	173.8	0	0	0	109.7	Q413 A414 L417 V419 Q421 F425	L409-Q413 HydrophobicContact CB-CB 4.45Å; L409-Q413 HydrophobicContact CD2-CB 3.88Å; L409-A414 HydrophobicContact CB-CB 4.41Å; L409-A414 HydrophobicContact CD1-CB 4.41Å; L409-L417 HydrophobicContact CD1-CD1 4.4Å; L409-L417 HydrophobicContact CD2-CD1 4.2Å; L409-V419 HydrophobicContact CD1-CG2 4.03Å; L409-Q421 HydrophobicContact CB-CG 4.46Å; L409-Q421 PolarHBondContact O-NE2 3.14Å; L409-F425 HydrophobicContact CD1-CD1 4.28Å; L409-F425 HydrophobicContact CD1-CE1 4.15Å
410	T	98.5	Very high	98	Very high	76 Å²	76	106.5 Å²	106.5	47%	0.466	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-68.8	158.8	160.7	62	0	0	0	0	109.8	K408 K412 Q413 A414	K408-T410 PolarHBondContact O-N 2.92Å; T410-K412 VanDerWaalsContact C-N 3.26Å; T410-K412 PolarHBondContact O-N 3.32Å; T410-Q413 PolarHBondContact O-N 2.95Å; T410-Q413 VanDerWaalsContact O-N 3.09Å; T410-Q413 VanDerWaalsContact OG1-CG 3.29Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.25Å; T410-Q413 PolarHBondContact OG1-N 3.37Å; T410-Q413 PolarHBondContact OG1-OE1 3.16Å; T410-A414 PolarHBondContact O-N 2.73Å
411	E	98.4	Very high	98	Very high	145 Å²	145	102.3 Å²	102.3	68%	0.678	54%	0.542	S	S	*	.	H	α-helix	trans	-55.9	-44.7	177.5	-174.3	179.2	179.2	0	0	111.1	Q413 A414 T415 Q421	E411-Q413 VanDerWaalsContact C-N 3.3Å; E411-Q413 PolarHBondContact O-N 2.83Å; E411-A414 PolarHBondContact O-N 2.96Å; E411-A414 VanDerWaalsContact O-N 3.17Å; E411-T415 PolarHBondContact O-N 3.08Å; E411-T415 PolarHBondContact O-OG1 2.84Å; E411-T415 VanDerWaalsContact O-OG1 3.1Å; E411-Q421 VanDerWaalsContact N-NE2 3.15Å
412	K	98.6	Very high	98	Very high	179 Å²	179	103.7 Å²	103.7	78%	0.778	56%	0.557	S	S	*	*	H	α-helix	trans	-57.1	-39.6	176.8	-174.3	175.3	-179.9	179.1	0	113.1	T410 Y416	T410-K412 VanDerWaalsContact C-N 3.26Å; T410-K412 PolarHBondContact O-N 3.32Å; K412-Y416 WeakPolarHBondContact O-CB 3.2Å; K412-Y416 PolarHBondContact O-N 3.5Å; K412-Y416 VanDerWaalsContact O-N 3.13Å
413	Q	98.7	Very high	97.9	Very high	92 Å²	92	99 Å²	99	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-71.8	-41.8	177.8	-71.6	164.7	-43.7	0	0	111.8	L409 T410 E411 Y416 L417	L409-Q413 HydrophobicContact CB-CB 4.45Å; L409-Q413 HydrophobicContact CD2-CB 3.88Å; T410-Q413 PolarHBondContact O-N 2.95Å; T410-Q413 VanDerWaalsContact O-N 3.09Å; T410-Q413 VanDerWaalsContact OG1-CG 3.29Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.25Å; T410-Q413 PolarHBondContact OG1-N 3.37Å; T410-Q413 PolarHBondContact OG1-OE1 3.16Å; E411-Q413 VanDerWaalsContact C-N 3.3Å; E411-Q413 PolarHBondContact O-N 2.83Å; Q413-Y416 PolarHBondContact O-N 3.49Å; Q413-L417 WeakPolarHBondContact O-CG 3.29Å; Q413-L417 PolarHBondContact O-N 3.46Å
414	A	98.5	Very high	97.9	Very high	6 Å²	6	99.4 Å²	99.4	5%	0.05	53%	0.526	C	S	.	.	H	α-helix	trans	-62	-46.3	178	0	0	0	0	0	111.4	L409 T410 E411 Y416 L417 G418 V419 Q421	L409-A414 HydrophobicContact CB-CB 4.41Å; L409-A414 HydrophobicContact CD1-CB 4.41Å; T410-A414 PolarHBondContact O-N 2.73Å; E411-A414 PolarHBondContact O-N 2.96Å; E411-A414 VanDerWaalsContact O-N 3.17Å; A414-Y416 VanDerWaalsContact C-N 3.35Å; A414-Y416 PolarHBondContact O-N 3.01Å; A414-L417 PolarHBondContact O-N 3.12Å; A414-G418 PolarHBondContact O-N 2.84Å; A414-V419 CarbonylContact C-O 3.54Å; A414-V419 WeakPolarHBondContact CB-O 3.46Å; A414-V419 PolarHBondContact O-N 2.81Å; A414-V419 VanDerWaalsContact O-N 3.15Å; A414-Q421 HydrophobicContact CB-CB 4.47Å; A414-Q421 HydrophobicContact CB-CG 3.5Å
415	T	98.3	Very high	97.9	Very high	108 Å²	108	99.6 Å²	99.6	66%	0.663	52%	0.521	S	S	*	.	H	α-helix	trans	-59.9	-42.8	173.7	-53.9	0	0	0	0	112.1	E411 L417 G418	E411-T415 PolarHBondContact O-N 3.08Å; E411-T415 PolarHBondContact O-OG1 2.84Å; E411-T415 VanDerWaalsContact O-OG1 3.1Å; T415-L417 PolarHBondContact O-N 2.86Å; T415-G418 PolarHBondContact O-N 2.67Å
416	Y	98.4	Very high	97.9	Very high	200 Å²	200	94.4 Å²	94.4	78%	0.784	50%	0.499	S	S	*	.	H	α-helix	trans	-62.2	-41.8	178.3	175.1	-95.7	0	0	0	112.6	K412 Q413 A414 G418	K412-Y416 WeakPolarHBondContact O-CB 3.2Å; K412-Y416 PolarHBondContact O-N 3.5Å; K412-Y416 VanDerWaalsContact O-N 3.13Å; Q413-Y416 PolarHBondContact O-N 3.49Å; A414-Y416 VanDerWaalsContact C-N 3.35Å; A414-Y416 PolarHBondContact O-N 3.01Å; Y416-G418 VanDerWaalsContact C-N 3.32Å
417	L	97.9	Very high	97.8	Very high	102 Å²	102	92 Å²	92	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-79.3	-14.4	179.9	-69.1	174.8	0	0	0	113.3	L409 Q413 A414 T415 V419	L409-L417 HydrophobicContact CD1-CD1 4.4Å; L409-L417 HydrophobicContact CD2-CD1 4.2Å; Q413-L417 WeakPolarHBondContact O-CG 3.29Å; Q413-L417 PolarHBondContact O-N 3.46Å; A414-L417 PolarHBondContact O-N 3.12Å; T415-L417 PolarHBondContact O-N 2.86Å; L417-V419 HydrophobicContact CB-CG2 3.88Å; L417-V419 HydrophobicContact CD1-CG2 4.47Å
418	G	97.5	Very high	97.7	Very high	69 Å²	69	92.6 Å²	92.6	71%	0.711	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	32	-174.7	0	0	0	0	0	113.3	A414 T415 Y416	A414-G418 PolarHBondContact O-N 2.84Å; T415-G418 PolarHBondContact O-N 2.67Å; Y416-G418 VanDerWaalsContact C-N 3.32Å
419	V	97.2	Very high	97.6	Very high	46 Å²	46	91.2 Å²	91.2	28%	0.279	48%	0.484	S	S	.	.	S	Bend	trans	-127.6	162.2	179	-58.4	0	0	0	0	111	L409 A414 L417	L409-V419 HydrophobicContact CD1-CG2 4.03Å; A414-V419 CarbonylContact C-O 3.54Å; A414-V419 WeakPolarHBondContact CB-O 3.46Å; A414-V419 PolarHBondContact O-N 2.81Å; A414-V419 VanDerWaalsContact O-N 3.15Å; L417-V419 HydrophobicContact CB-CG2 3.88Å; L417-V419 HydrophobicContact CD1-CG2 4.47Å
420	S	97.2	Very high	97.5	Very high	60 Å²	60	94.3 Å²	94.3	42%	0.42	49%	0.494	S	S	.	.			trans	-71.5	149.4	171.4	175.3	0	0	0	0	111.5	T422 G423	S420-T422 PolarHBondContact O-N 3.33Å; S420-T422 PolarHBondContact OG-N 3.25Å; S420-T422 PolarHBondContact OG-OG1 2.9Å; S420-G423 VanDerWaalsContact CB-O 3.28Å; S420-G423 WeakPolarHBondContact CB-O 3.41Å; S420-G423 PolarHBondContact O-N 3.33Å
421	Q	97.1	Very high	97.3	Very high	92 Å²	92	101.3 Å²	101.3	43%	0.43	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	171.7	-70.1	-177.9	-76.2	0	0	113.2	L409 E411 A414	L409-Q421 HydrophobicContact CB-CG 4.46Å; L409-Q421 PolarHBondContact O-NE2 3.14Å; E411-Q421 VanDerWaalsContact N-NE2 3.15Å; A414-Q421 HydrophobicContact CB-CB 4.47Å; A414-Q421 HydrophobicContact CB-CG 3.5Å
422	T	96.5	Very high	96.6	Very high	105 Å²	105	99 Å²	99	64%	0.644	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	12.1	-178.1	63.3	0	0	0	0	113	I389 S420	I389-T422 WeakPolarHBondContact CD1-O 3.29Å; S420-T422 PolarHBondContact O-N 3.33Å; S420-T422 PolarHBondContact OG-N 3.25Å; S420-T422 PolarHBondContact OG-OG1 2.9Å
423	G	96.4	Very high	96.5	Very high	7 Å²	7	95.1 Å²	95.1	7%	0.072	48%	0.484	C	S	.	.	S	Bend	trans	80.6	-179.2	-178.8	0	0	0	0	0	114.9	S420	S420-G423 VanDerWaalsContact CB-O 3.28Å; S420-G423 WeakPolarHBondContact CB-O 3.41Å; S420-G423 PolarHBondContact O-N 3.33Å
424	P	97.7	Very high	96.4	Very high	67 Å²	67	95.2 Å²	95.2	44%	0.435	49%	0.487	S	S	.	.			cis	-62.8	141	-0.1	25.3	-33.2	0	0	0	112.7	K388 E392	K388-P424 HydrophobicContact CB-CB 4.22Å; K388-P424 HydrophobicContact CD-CB 4.01Å; K388-P424 HydrophobicContact CG-CB 4.18Å; E392-P424 WeakPolarHBondContact OE2-CA 3.33Å
425	F	98	Very high	96.3	Very high	75 Å²	75	100.2 Å²	100.2	33%	0.329	51%	0.511	S	S	.	.			trans	-92.1	-11.4	-171.3	-62	-68.2	0	0	0	114.1	E392 L409	E392-F425 PolarHBondContact OE1-N 2.89Å; E392-F425 WeakPolarHBondContact OE2-CD2 3.15Å; L409-F425 HydrophobicContact CD1-CD1 4.28Å; L409-F425 HydrophobicContact CD1-CE1 4.15Å
426	K	98.2	Very high	96.2	Very high	88 Å²	88	99.7 Å²	99.7	38%	0.383	50%	0.502	S	S	.	.	S	Bend	trans	-133.9	148.5	-175.5	-63.5	-65.5	-175.7	-63.8	0	110.5	K388 Y430	K388-K426 HydrophobicContact CD-CB 4.36Å; K388-K426 WeakPolarHBondContact CD-O 3.38Å; K388-K426 WeakPolarHBondContact CE-O 3.48Å; K426-Y430 HydrophobicContact CB-CD1 3.49Å; K426-Y430 VanDerWaalsContact CB-CD1 3.49Å; K426-Y430 HydrophobicContact CB-CE1 4.17Å; K426-Y430 HydrophobicContact CB-CG 3.92Å; K426-Y430 HydrophobicContact CD-CD1 3.47Å; K426-Y430 VanDerWaalsContact CD-CD1 3.47Å; K426-Y430 HydrophobicContact CD-CD2 4.34Å; K426-Y430 HydrophobicContact CD-CE1 3.28Å; K426-Y430 HydrophobicContact CD-CE2 4.29Å; K426-Y430 HydrophobicContact CD-CG 3.99Å; K426-Y430 HydrophobicContact CG-CD1 3.33Å; K426-Y430 HydrophobicContact CG-CE1 3.48Å; K426-Y430 VanDerWaalsContact CG-CE1 3.48Å; K426-Y430 HydrophobicContact CG-CG 4.11Å
427	P	96.7	Very high	96	Very high	64 Å²	64	93.4 Å²	93.4	42%	0.416	48%	0.484	S	S	.	.			trans	-68.1	163.3	173.6	30.6	-34.9	0	0	0	111	K388 H429 Y430	K388-P427 VanDerWaalsContact CE-O 3.28Å; K388-P427 WeakPolarHBondContact CE-O 3.32Å; K388-P427 PolarHBondContact NZ-O 3.42Å; P427-H429 VanDerWaalsContact C-N 3.32Å; P427-H429 PolarHBondContact O-N 3.15Å; P427-Y430 WeakPolarHBondContact O-CB 3.4Å; P427-Y430 PolarHBondContact O-N 2.89Å; P427-Y430 VanDerWaalsContact O-N 3.15Å
428	D	95.2	Very high	95.9	Very high	139 Å²	139	92.9 Å²	92.9	74%	0.743	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.1	-174.9	-66.1	-31.4	0	0	0	113.7	K388 Y430	K388-D428 VanDerWaalsContact CE-OD1 3.22Å; K388-D428 WeakPolarHBondContact CE-OD1 3.29Å; D428-Y430 PolarHBondContact O-N 3.47Å
429	H	95.8	Very high	95.8	Very high	156 Å²	156	94.6 Å²	94.6	72%	0.722	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	1.9	179.6	64.6	-96.9	0	0	0	114.4	P427 R431	P427-H429 VanDerWaalsContact C-N 3.32Å; P427-H429 PolarHBondContact O-N 3.15Å; H429-R431 PolarHBondContact O-N 3.39Å
430	Y	97.6	Very high	95.7	Very high	104 Å²	104	98.3 Å²	98.3	41%	0.408	48%	0.479	S	S	.	.			trans	-71.1	128.1	-179.7	-170.5	-119.7	0	0	0	110.5	K426 P427 D428 Y432	K426-Y430 HydrophobicContact CB-CD1 3.49Å; K426-Y430 VanDerWaalsContact CB-CD1 3.49Å; K426-Y430 HydrophobicContact CB-CE1 4.17Å; K426-Y430 HydrophobicContact CB-CG 3.92Å; K426-Y430 HydrophobicContact CD-CD1 3.47Å; K426-Y430 VanDerWaalsContact CD-CD1 3.47Å; K426-Y430 HydrophobicContact CD-CD2 4.34Å; K426-Y430 HydrophobicContact CD-CE1 3.28Å; K426-Y430 HydrophobicContact CD-CE2 4.29Å; K426-Y430 HydrophobicContact CD-CG 3.99Å; K426-Y430 HydrophobicContact CG-CD1 3.33Å; K426-Y430 HydrophobicContact CG-CE1 3.48Å; K426-Y430 VanDerWaalsContact CG-CE1 3.48Å; K426-Y430 HydrophobicContact CG-CG 4.11Å; P427-Y430 WeakPolarHBondContact O-CB 3.4Å; P427-Y430 PolarHBondContact O-N 2.89Å; P427-Y430 VanDerWaalsContact O-N 3.15Å; D428-Y430 PolarHBondContact O-N 3.47Å; Y430-Y432 VanDerWaalsContact C-N 3.25Å; Y430-Y432 VanDerWaalsContact CD1-C 3.41Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.37Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.31Å; Y430-Y432 PolarHBondContact O-N 2.84Å; Y430-Y432 VanDerWaalsContact O-N 3.16Å; Y430-Y432 PolarHBondContact OH-O 2.76Å
431	R	94.3	Very high	95.6	Very high	223 Å²	223	101.5 Å²	101.5	84%	0.842	48%	0.484	S	S	*	.			trans	-90.6	56.1	-179.4	-60.2	-172.4	-177.7	87.6	-0.8	111	H429	H429-R431 PolarHBondContact O-N 3.39Å
432	Y	83.1	Confident	95.4	Very high	98 Å²	98	102.4 Å²	102.4	38%	0.384	49%	0.489	S	S	.	.			trans	86.4	0	178.2	-60.8	-98.8	0	0	0	118.6	V184 S187 K188 Y430	V184-Y432 VanDerWaalsContact CA-CZ 3.5Å; V184-Y432 VanDerWaalsContact CA-OH 3.32Å; V184-Y432 WeakPolarHBondContact CA-OH 3.38Å; V184-Y432 HydrophobicContact CB-CD1 3.59Å; V184-Y432 HydrophobicContact CB-CE1 3.17Å; V184-Y432 HydrophobicContact CG1-CD1 3.06Å; V184-Y432 HydrophobicContact CG1-CE1 3.11Å; V184-Y432 HydrophobicContact CG1-CG 4.25Å; V184-Y432 HydrophobicContact CG2-CD1 3.54Å; V184-Y432 HydrophobicContact CG2-CE1 3.29Å; V184-Y432 HydrophobicContact CG2-CE2 4.3Å; V184-Y432 HydrophobicContact CG2-CG 4.18Å; V184-Y432 VanDerWaalsContact O-CE1 3.31Å; V184-Y432 WeakPolarHBondContact O-CE1 3.47Å; S187-Y432 PolarHBondContact OG-OH 2.79Å; K188-Y432 HydrophobicContact CB-CD1 4.13Å; K188-Y432 HydrophobicContact CB-CE1 3.69Å; K188-Y432 HydrophobicContact CD-CD1 4.49Å; K188-Y432 HydrophobicContact CD-CD2 4.37Å; K188-Y432 HydrophobicContact CD-CE1 4.17Å; K188-Y432 HydrophobicContact CD-CE2 4.22Å; K188-Y432 HydrophobicContact CG-CD1 3.38Å; K188-Y432 HydrophobicContact CG-CD2 3.99Å; K188-Y432 HydrophobicContact CG-CE1 2.96Å; K188-Y432 HydrophobicContact CG-CE2 3.8Å; K188-Y432 HydrophobicContact CG-CG 3.87Å; Y430-Y432 VanDerWaalsContact C-N 3.25Å; Y430-Y432 VanDerWaalsContact CD1-C 3.41Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.37Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.31Å; Y430-Y432 PolarHBondContact O-N 2.84Å; Y430-Y432 VanDerWaalsContact O-N 3.16Å; Y430-Y432 PolarHBondContact OH-O 2.76Å

Retrieved 432 of 432 residues in 215.7 ms (Link to these results)

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