A0A087YJ27_POEFO Loading...

Angiotensinogen

Acts directly on vascular smooth muscle as a potent vasoconstrictor, affects cardiac contractility and heart rate through its action on the sympathetic nervous system, and alters renal sodium and water absorption through its ability to stimulate the zona glomerulosa cells of the adrenal cortex to synthesize and secrete aldosterone. Acts by binding to angiotensin receptors AGTR1 and AGTR2. Also binds the DEAR/FBXW7-AS1 receptor. Essential component of the renin-angiotensin system (RAS), a potent regulator of blood pressure, body fluid and electrolyte homeostasis. Is a ligand for the G-protein coupled receptor MAS1. Has vasodilator and antidiuretic effects. Has an antithrombotic effect that involves MAS1-mediated release of nitric oxide from platelets. Stimulates aldosterone release.

AlphaFold DB , UniProt , Accession A0A087YJ27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 461 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	39.5	Very low	40.4	Very low	249 Å²	249	137.1 Å²	137.1	100%	1.227	72%	0.721	S	S	*	*				0	88.4	0	-76.7	-177	-101.1	0	0	108.9
2	Q	36.5	Very low	40.2	Very low	196 Å²	196	134.5 Å²	134.5	92%	0.916	71%	0.707	S	S	*	*			trans	-112.8	123.3	170.4	-99.3	173.4	-22.6	0	0	107.4	L4	Q2-L4 PolarHBondContact O-N 3.19Å
3	K	40.2	Very low	39.7	Very low	213 Å²	213	128.8 Å²	128.8	93%	0.926	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-71.7	121.9	-176.5	-72.4	177.6	174.5	179	0	109.5
4	L	36.1	Very low	39.2	Very low	131 Å²	131	126.9 Å²	126.9	69%	0.686	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74.3	135.7	169.2	-133.9	81.1	0	0	0	109.6	Q2 L8	Q2-L4 PolarHBondContact O-N 3.19Å; L4-L8 HydrophobicContact CD2-CD2 4.32Å
5	H	48.5	Very low	38.7	Very low	139 Å²	139	125.1 Å²	125.1	64%	0.644	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-68.1	142.7	-175.2	-129.7	-48.5	0	0	0	112	L7 L8	H5-L7 PolarHBondContact O-N 2.88Å; H5-L8 PolarHBondContact O-N 3.29Å
6	P	42.8	Very low	38.3	Very low	102 Å²	102	130.9 Å²	130.9	66%	0.662	70%	0.699	S	S	*	*	H	α-helix	trans	-66.4	-10.1	-174.5	-19.2	32.4	0	0	0	115.5
7	L	42.1	Very low	38	Very low	137 Å²	137	132.3 Å²	132.3	72%	0.717	70%	0.704	S	S	*	*	H	α-helix	trans	-81.1	-23.6	179.1	-82	148.7	0	0	0	113.2	H5	H5-L7 PolarHBondContact O-N 2.88Å
8	L	42.2	Very low	37.9	Very low	104 Å²	104	130.8 Å²	130.8	55%	0.545	71%	0.706	S	S	.	*	H	α-helix	trans	-76.5	-30.1	176.7	-118.1	97.9	0	0	0	112.5	L4 H5 L12	L4-L8 HydrophobicContact CD2-CD2 4.32Å; H5-L8 PolarHBondContact O-N 3.29Å; L8-L12 PolarHBondContact O-N 3.34Å
9	L	40.9	Very low	37.5	Very low	117 Å²	117	127.4 Å²	127.4	61%	0.613	71%	0.705	S	S	*	*	H	α-helix	trans	-72.3	-30.3	177.1	-94.2	143.6	0	0	0	112.5	A13	L9-A13 PolarHBondContact O-N 3.41Å
10	A	38.3	Very low	37.2	Very low	57 Å²	57	126.6 Å²	126.6	47%	0.471	71%	0.708	S	S	.	*	H	α-helix	trans	-72.9	-36.5	175.6	0	0	0	0	0	112.4	L12 A13 C14	A10-L12 VanDerWaalsContact C-N 3.34Å; A10-A13 PolarHBondContact O-N 3Å; A10-C14 PolarHBondContact O-N 3.47Å
11	A	37	Very low	37	Very low	63 Å²	63	129.1 Å²	129.1	52%	0.521	71%	0.714	S	S	.	*	H	α-helix	trans	-68.2	-33.8	174.2	0	0	0	0	0	112.3
12	L	38.3	Very low	36.5	Very low	106 Å²	106	120.9 Å²	120.9	56%	0.555	69%	0.686	S	S	*	*	H	α-helix	trans	-72.5	-24.2	174.3	-85.9	156.2	0	0	0	113.4	L8 A10	L8-L12 PolarHBondContact O-N 3.34Å; A10-L12 VanDerWaalsContact C-N 3.34Å
13	A	34	Very low	36.2	Very low	61 Å²	61	118.4 Å²	118.4	50%	0.504	68%	0.679	S	S	.	*	H	α-helix	trans	-83	-29.1	176.9	0	0	0	0	0	113.4	L9 A10	L9-A13 PolarHBondContact O-N 3.41Å; A10-A13 PolarHBondContact O-N 3Å
14	C	31.7	Very low	35.6	Very low	102 Å²	102	119.1 Å²	119.1	69%	0.689	68%	0.676	S	S	*	*	H	α-helix	trans	-78.9	-16.4	178.3	-76.4	0	0	0	0	114.4	A10 W16	A10-C14 PolarHBondContact O-N 3.47Å; C14-W16 VanDerWaalsContact C-N 3.28Å; C14-W16 PolarHBondContact O-N 3.15Å
15	C	32.4	Very low	35.3	Very low	100 Å²	100	118.4 Å²	118.4	68%	0.676	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-3.1	173.1	-71.9	0	0	0	0	114
16	W	31.9	Very low	34.9	Very low	218 Å²	218	120 Å²	120	83%	0.826	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	6.4	-178.6	-78.8	67.7	0	0	0	114.4	C14	C14-W16 VanDerWaalsContact C-N 3.28Å; C14-W16 PolarHBondContact O-N 3.15Å
17	I	34.3	Very low	35	Very low	154 Å²	154	121.1 Å²	121.1	79%	0.79	68%	0.677	S	S	*	*	S	Bend	trans	-122.5	-2.8	-179	-55.3	-178.2	0	0	0	113.5
18	S	34.7	Very low	35.6	Very low	106 Å²	106	118.8 Å²	118.8	74%	0.741	66%	0.662	S	S	*	*			trans	-112.9	43	172.5	66	0	0	0	0	112.7
19	G	31.8	Very low	36.6	Very low	66 Å²	66	115.2 Å²	115.2	68%	0.68	65%	0.645	S	S	*	*			trans	-103.3	74.3	159.4	0	0	0	0	0	107.8	Q21	G19-Q21 VanDerWaalsContact C-N 3.29Å; G19-Q21 PolarHBondContact O-N 3.3Å
20	S	31.2	Very low	37.9	Very low	110 Å²	110	110.2 Å²	110.2	77%	0.769	62%	0.619	S	S	*	*			trans	-57.4	105.3	164.3	66.4	0	0	0	0	105.7	A22	S20-A22 PolarHBondContact O-N 2.97Å
21	Q	32.4	Very low	39.4	Very low	180 Å²	180	113.5 Å²	113.5	84%	0.841	62%	0.624	S	S	*	*			trans	-58.6	89.4	154.5	-76	-164.4	-17.7	0	0	104.8	G19 N23	G19-Q21 VanDerWaalsContact C-N 3.29Å; G19-Q21 PolarHBondContact O-N 3.3Å; Q21-N23 PolarHBondContact O-N 3.18Å
22	A	29	Very low	41.2	Very low	76 Å²	76	111.1 Å²	111.1	63%	0.628	60%	0.602	S	S	*	*			trans	-57.2	99.9	153.7	0	0	0	0	0	103.4	S20 R24	S20-A22 PolarHBondContact O-N 2.97Å; A22-R24 PolarHBondContact O-N 2Å
23	N	29.7	Very low	43.2	Very low	144 Å²	144	106.1 Å²	106.1	77%	0.77	58%	0.576	S	S	*	*			trans	-54	81.7	152.7	-103.9	-11.8	0	0	0	105	Q21 V25	Q21-N23 PolarHBondContact O-N 3.18Å; N23-V25 PolarHBondContact O-N 3.26Å
24	R	28.5	Very low	45.2	Very low	229 Å²	229	104.2 Å²	104.2	86%	0.864	56%	0.56	S	S	*	*			trans	-63.6	97.9	157.3	-79.5	-168.1	177.6	-163.8	0.4	102.4	A22 Y26	A22-R24 PolarHBondContact O-N 2Å; R24-Y26 PolarHBondContact O-N 3.31Å
25	V	29.6	Very low	46.9	Very low	115 Å²	115	102.1 Å²	102.1	70%	0.697	55%	0.545	S	S	*	.			trans	-52.9	101.4	162.9	-178.7	0	0	0	0	103.9	N23 I27	N23-V25 PolarHBondContact O-N 3.26Å; V25-I27 HydrophobicContact CB-CG1 4.4Å; V25-I27 HydrophobicContact CG1-CG1 3.73Å; V25-I27 PolarHBondContact O-N 3.27Å
26	Y	40.5	Very low	48.4	Very low	174 Å²	174	102.3 Å²	102.3	68%	0.682	54%	0.539	S	S	*	.			trans	-73.4	87.3	175.1	-174	-91.4	0	0	0	105.1	R24 H28	R24-Y26 PolarHBondContact O-N 3.31Å; Y26-H28 AromaticContact CD1-CD2 3.6Å; Y26-H28 AromaticContact CD1-NE2 3.82Å; Y26-H28 AromaticContact CE1-CD2 3.5Å; Y26-H28 AromaticContact CE1-CE1 3.58Å; Y26-H28 AromaticContact CE1-CG 3.66Å; Y26-H28 AromaticContact CE1-ND1 3.71Å; Y26-H28 AromaticContact CE1-NE2 3.43Å; Y26-H28 WeakPolarHBondContact CE1-NE2 3.47Å; Y26-H28 PolarHBondContact O-N 2.96Å; Y26-H28 VanDerWaalsContact O-N 3.09Å
27	I	44.6	Very low	49.3	Very low	124 Å²	124	100 Å²	100	64%	0.636	54%	0.542	S	S	*	.			trans	-72.7	102.7	172.4	-57.9	174.6	0	0	0	104.5	V25 P29	V25-I27 HydrophobicContact CB-CG1 4.4Å; V25-I27 HydrophobicContact CG1-CG1 3.73Å; V25-I27 PolarHBondContact O-N 3.27Å; I27-P29 WeakPolarHBondContact O-CD 3.49Å
28	H	54.5	Low	50.3	Low	88 Å²	88	95.6 Å²	95.6	41%	0.407	52%	0.523	S	S	.	.			trans	-55.9	128.6	166.9	-92.8	-87.6	0	0	0	107.8	Y26 F30	Y26-H28 AromaticContact CD1-CD2 3.6Å; Y26-H28 AromaticContact CD1-NE2 3.82Å; Y26-H28 AromaticContact CE1-CD2 3.5Å; Y26-H28 AromaticContact CE1-CE1 3.58Å; Y26-H28 AromaticContact CE1-CG 3.66Å; Y26-H28 AromaticContact CE1-ND1 3.71Å; Y26-H28 AromaticContact CE1-NE2 3.43Å; Y26-H28 WeakPolarHBondContact CE1-NE2 3.47Å; Y26-H28 PolarHBondContact O-N 2.96Å; Y26-H28 VanDerWaalsContact O-N 3.09Å; H28-F30 HydrophobicContact CB-CD1 4.38Å; H28-F30 HydrophobicContact CB-CD2 3.35Å; H28-F30 HydrophobicContact CB-CE1 4.21Å; H28-F30 HydrophobicContact CB-CE2 3.14Å; H28-F30 HydrophobicContact CB-CG 3.98Å; H28-F30 HydrophobicContact CB-CZ 3.62Å; H28-F30 AromaticContact CG-CE2 3.44Å; H28-F30 VanDerWaalsContact CG-CE2 3.44Å; H28-F30 AromaticContact CG-CZ 3.53Å; H28-F30 AromaticContact ND1-CE1 3.94Å; H28-F30 AromaticContact ND1-CE2 3.83Å; H28-F30 AromaticContact ND1-CZ 3.37Å; H28-F30 WeakPolarHBondContact ND1-CZ 2.98Å; H28-F30 PolarHBondContact O-N 2.99Å
29	P	63.4	Low	51.1	Low	29 Å²	29	93.1 Å²	93.1	19%	0.188	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-77	37.2	-174.3	31.2	-35.3	0	0	0	112.6	I27 H31 L32 V87	I27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-H31 PolarHBondContact O-N 3.1Å; P29-H31 VanDerWaalsContact O-N 3.15Å; P29-L32 HydrophobicContact CB-CD1 3.88Å; P29-L32 HydrophobicContact CB-CG 4.17Å; P29-L32 VanDerWaalsContact O-CB 3.27Å; P29-L32 WeakPolarHBondContact O-CB 3.02Å; P29-L32 VanDerWaalsContact O-CG 3.31Å; P29-L32 WeakPolarHBondContact O-CG 3.19Å; P29-L32 PolarHBondContact O-N 3.31Å; P29-V87 HydrophobicContact CB-CG2 4.06Å; P29-V87 HydrophobicContact CG-CB 4.14Å; P29-V87 HydrophobicContact CG-CG1 3.75Å; P29-V87 HydrophobicContact CG-CG2 3.22Å
30	F	68.8	Low	52.2	Low	13 Å²	13	92.7 Å²	92.7	6%	0.057	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-60.9	-22.4	178.3	-60.6	-47	0	0	0	112.7	H28 L32 F33 A34 L91 G141 S143	H28-F30 HydrophobicContact CB-CD1 4.38Å; H28-F30 HydrophobicContact CB-CD2 3.35Å; H28-F30 HydrophobicContact CB-CE1 4.21Å; H28-F30 HydrophobicContact CB-CE2 3.14Å; H28-F30 HydrophobicContact CB-CG 3.98Å; H28-F30 HydrophobicContact CB-CZ 3.62Å; H28-F30 AromaticContact CG-CE2 3.44Å; H28-F30 VanDerWaalsContact CG-CE2 3.44Å; H28-F30 AromaticContact CG-CZ 3.53Å; H28-F30 AromaticContact ND1-CE1 3.94Å; H28-F30 AromaticContact ND1-CE2 3.83Å; H28-F30 AromaticContact ND1-CZ 3.37Å; H28-F30 WeakPolarHBondContact ND1-CZ 2.98Å; H28-F30 PolarHBondContact O-N 2.99Å; F30-L32 PolarHBondContact O-N 2.81Å; F30-L32 VanDerWaalsContact O-N 3.12Å; F30-F33 CarbonylContact O-C 3.53Å; F30-F33 PolarHBondContact O-N 2.86Å; F30-A34 PolarHBondContact O-N 3.07Å; F30-L91 HydrophobicContact CE1-CD1 4.19Å; F30-L91 HydrophobicContact CE1-CD2 4.32Å; F30-G141 WeakPolarHBondContact CE1-O 3.43Å; F30-G141 WeakPolarHBondContact CZ-O 3.43Å; F30-S143 WeakPolarHBondContact CE2-O 3.5Å
31	H	70.1	Confident	53	Low	125 Å²	125	95 Å²	95	58%	0.579	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-56.1	-24.8	170	68.9	-88	0	0	0	113.5	P29 F33 A34	P29-H31 PolarHBondContact O-N 3.1Å; P29-H31 VanDerWaalsContact O-N 3.15Å; H31-F33 PolarHBondContact O-N 3.03Å; H31-A34 PolarHBondContact O-N 3.26Å
32	L	74.1	Confident	53.9	Low	13 Å²	13	90.3 Å²	90.3	7%	0.068	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.2	176	-65.6	178.3	0	0	0	112.9	P29 F30 N80 K83 R84 V87	P29-L32 HydrophobicContact CB-CD1 3.88Å; P29-L32 HydrophobicContact CB-CG 4.17Å; P29-L32 VanDerWaalsContact O-CB 3.27Å; P29-L32 WeakPolarHBondContact O-CB 3.02Å; P29-L32 VanDerWaalsContact O-CG 3.31Å; P29-L32 WeakPolarHBondContact O-CG 3.19Å; P29-L32 PolarHBondContact O-N 3.31Å; F30-L32 PolarHBondContact O-N 2.81Å; F30-L32 VanDerWaalsContact O-N 3.12Å; L32-N80 HydrophobicContact CD2-CB 4.08Å; L32-K83 HydrophobicContact CD1-CB 3.8Å; L32-R84 HydrophobicContact CB-CG 4Å; L32-R84 PolarHBondContact O-NE 3.49Å; L32-R84 PolarHBondContact O-NH2 3.25Å; L32-V87 HydrophobicContact CD1-CG2 3.99Å
33	F	80.9	Confident	54.9	Low	1 Å²	1	89.9 Å²	89.9	0%	0.004	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-114.1	13.2	178.2	-57.8	-73.5	0	0	0	111.9	F30 H31 R84 V87 L88 V155 D156 K159 I160 T163	F30-F33 CarbonylContact O-C 3.53Å; F30-F33 PolarHBondContact O-N 2.86Å; H31-F33 PolarHBondContact O-N 3.03Å; F33-R84 HydrophobicContact CE1-CB 3.93Å; F33-R84 HydrophobicContact CE1-CG 3.91Å; F33-R84 HydrophobicContact CZ-CB 3.75Å; F33-R84 HydrophobicContact CZ-CG 3.97Å; F33-V87 HydrophobicContact CE2-CB 4.34Å; F33-V87 HydrophobicContact CE2-CG1 3.91Å; F33-L88 HydrophobicContact CZ-CB 4.1Å; F33-V155 HydrophobicContact CB-CG1 4.07Å; F33-V155 CarbonylContact O-C 3.32Å; F33-V155 WeakPolarHBondContact O-CA 3.48Å; F33-D156 WeakPolarHBondContact O-CB 3.36Å; F33-D156 PolarHBondContact O-N 3.23Å; F33-K159 HydrophobicContact CD1-CB 4.04Å; F33-I160 HydrophobicContact CB-CD1 4.46Å; F33-I160 HydrophobicContact CB-CG1 4.19Å; F33-I160 HydrophobicContact CD1-CB 4.45Å; F33-I160 HydrophobicContact CD1-CD1 4.48Å; F33-I160 HydrophobicContact CD1-CG1 3.45Å; F33-I160 VanDerWaalsContact CD1-CG1 3.45Å; F33-I160 HydrophobicContact CE1-CG1 3.94Å; F33-I160 HydrophobicContact CG-CD1 4.48Å; F33-I160 HydrophobicContact CG-CG1 3.89Å; F33-T163 HydrophobicContact CE1-CG2 4.47Å
34	A	75.4	Confident	55.9	Low	21 Å²	21	89.2 Å²	89.2	17%	0.174	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-76.2	150.8	175.4	0	0	0	0	0	110.8	F30 H31 D36 K159	F30-A34 PolarHBondContact O-N 3.07Å; H31-A34 PolarHBondContact O-N 3.26Å; A34-D36 PolarHBondContact O-N 3.18Å; A34-K159 PolarHBondContact O-NZ 3.48Å
35	V	66.8	Low	56.6	Low	59 Å²	59	81.5 Å²	81.5	36%	0.358	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.8	131.5	166.1	179.6	0	0	0	0	108.9	V38 L154 D156	V35-V38 HydrophobicContact CB-CG2 4.36Å; V35-V38 HydrophobicContact CG1-CG2 3.74Å; V35-L154 HydrophobicContact CG2-CB 3.89Å; V35-L154 WeakPolarHBondContact CG2-O 3.3Å; V35-L154 PolarHBondContact N-O 2.86Å; V35-D156 HydrophobicContact CG2-CB 4.03Å
36	D	64.1	Low	57.2	Low	104 Å²	104	79.7 Å²	79.7	56%	0.556	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	139.5	-174.1	-62	-48.2	0	0	0	112	A34 V38 K159	A34-D36 PolarHBondContact O-N 3.18Å; D36-V38 PolarHBondContact O-N 2.83Å; D36-K159 IonicContact OD1-NZ 3.73Å; D36-K159 PolarHBondContact OD1-NZ 2.83Å; D36-K159 IonicContact OD2-NZ 2.69Å; D36-K159 PolarHBondContact OD2-NZ 2.74Å
37	N	51.5	Low	57.6	Low	168 Å²	168	75.6 Å²	75.6	90%	0.898	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	30.6	170.6	-70.3	-17.9	0	0	0	117.1
38	V	54.8	Low	58.1	Low	62 Å²	62	74.5 Å²	74.5	38%	0.376	44%	0.438	S	S	.	.			trans	-108.2	105.9	175.8	-173.6	0	0	0	0	110.6	V35 D36 L43	V35-V38 HydrophobicContact CB-CG2 4.36Å; V35-V38 HydrophobicContact CG1-CG2 3.74Å; D36-V38 PolarHBondContact O-N 2.83Å; V38-L43 HydrophobicContact CG1-CD1 3.48Å; V38-L43 VanDerWaalsContact CG1-CD1 3.48Å; V38-L43 HydrophobicContact CG1-CD2 3.6Å; V38-L43 HydrophobicContact CG1-CG 3.22Å
39	S	52.2	Low	58.5	Low	54 Å²	54	77 Å²	77	38%	0.378	45%	0.448	S	S	.	.			trans	-77.4	150.4	165.3	74	0	0	0	0	110	E41 T42 L43	S39-E41 PolarHBondContact O-N 2.68Å; S39-E41 VanDerWaalsContact O-N 3.15Å; S39-T42 WeakPolarHBondContact O-CB 3.48Å; S39-T42 PolarHBondContact O-N 3.31Å; S39-T42 PolarHBondContact OG-N 2.77Å; S39-T42 PolarHBondContact OG-OG1 3.49Å; S39-L43 PolarHBondContact O-N 2.88Å
40	C	53.9	Low	58.9	Low	57 Å²	57	80.8 Å²	80.8	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-52.5	-35.4	175.5	-60.1	0	0	0	0	112.5	T42 L43 Q44 C151	C40-T42 VanDerWaalsContact C-N 3.33Å; C40-T42 PolarHBondContact O-N 3.33Å; C40-L43 PolarHBondContact O-N 3.35Å; C40-Q44 WeakPolarHBondContact O-CG 3.3Å; C40-Q44 PolarHBondContact O-N 2.59Å; C40-C151 VanDerWaalsContact CA-SG 3.57Å; C40-C151 HydrophobicContact CB-CB 3.65Å; C40-C151 WeakPolarHBondContact CB-SG 3.42Å; C40-C151 WeakPolarHBondContact SG-CB 3.18Å; C40-C151 CovalentContact SG-SG 2Å; C40-C151 PolarHBondContact SG-SG 2.93Å
41	E	48.1	Very low	59.7	Low	160 Å²	160	82.3 Å²	82.3	75%	0.748	48%	0.481	S	S	*	.	H	α-helix	trans	-65.2	-35.7	179.5	-65.3	166.6	171.7	0	0	111.7	S39 G45	S39-E41 PolarHBondContact O-N 2.68Å; S39-E41 VanDerWaalsContact O-N 3.15Å; E41-G45 PolarHBondContact O-N 2.79Å
42	T	51.6	Low	60.8	Low	80 Å²	80	80.8 Å²	80.8	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-73.1	-33	176.6	-49.7	0	0	0	0	112.3	S39 C40 S46	S39-T42 WeakPolarHBondContact O-CB 3.48Å; S39-T42 PolarHBondContact O-N 3.31Å; S39-T42 PolarHBondContact OG-N 2.77Å; S39-T42 PolarHBondContact OG-OG1 3.49Å; C40-T42 VanDerWaalsContact C-N 3.33Å; C40-T42 PolarHBondContact O-N 3.33Å; T42-S46 WeakPolarHBondContact O-CB 3.17Å; T42-S46 PolarHBondContact O-N 2.98Å
43	L	50.8	Low	61.7	Low	67 Å²	67	81.4 Å²	81.4	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-71.8	-29.6	177.1	-75.6	168.2	0	0	0	113.7	V38 S39 C40 L154	V38-L43 HydrophobicContact CG1-CD1 3.48Å; V38-L43 VanDerWaalsContact CG1-CD1 3.48Å; V38-L43 HydrophobicContact CG1-CD2 3.6Å; V38-L43 HydrophobicContact CG1-CG 3.22Å; S39-L43 PolarHBondContact O-N 2.88Å; C40-L43 PolarHBondContact O-N 3.35Å; L43-L154 HydrophobicContact CD1-CD1 4.28Å; L43-L154 HydrophobicContact CD2-CD1 3.82Å
44	Q	49.1	Very low	62.4	Low	130 Å²	130	83.6 Å²	83.6	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-80.9	-26.2	178.6	-68.9	178	-10.3	0	0	112.1	C40 D150	C40-Q44 WeakPolarHBondContact O-CG 3.3Å; C40-Q44 PolarHBondContact O-N 2.59Å; Q44-D150 PolarHBondContact NE2-O 3.12Å
45	G	43.1	Very low	63.2	Low	68 Å²	68	86.1 Å²	86.1	70%	0.701	51%	0.512	S	S	*	.	H	α-helix	trans	-99.5	-17.9	179.4	0	0	0	0	0	116.2	E41	E41-G45 PolarHBondContact O-N 2.79Å
46	S	44.1	Very low	64.5	Low	77 Å²	77	84.5 Å²	84.5	54%	0.538	50%	0.502	S	S	.	.	S	Bend	trans	-78	127	-179	-173.9	0	0	0	0	111.4	T42 V48	T42-S46 WeakPolarHBondContact O-CB 3.17Å; T42-S46 PolarHBondContact O-N 2.98Å; S46-V48 PolarHBondContact O-N 3.07Å
47	A	47.1	Very low	65.8	Low	87 Å²	87	85.9 Å²	85.9	72%	0.719	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-50.7	130.3	160.1	0	0	0	0	0	108.4	K49	A47-K49 PolarHBondContact O-N 3.5Å
48	V	56.5	Low	67.9	Low	101 Å²	101	81.7 Å²	81.7	61%	0.612	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-55.6	118.3	177.4	176.9	0	0	0	0	107.3	S46	S46-V48 PolarHBondContact O-N 3.07Å
49	K	61.9	Low	69.9	Low	141 Å²	141	80.2 Å²	80.2	61%	0.613	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-51.7	127.6	175.9	-161.9	-171.4	-171.3	-151.3	0	107.7	A47 L51 E52 R392	A47-K49 PolarHBondContact O-N 3.5Å; K49-L51 PolarHBondContact O-N 3.44Å; K49-E52 WeakPolarHBondContact CE-OE1 3.4Å; K49-E52 IonicContact NZ-OE1 2.72Å; K49-E52 PolarHBondContact NZ-OE1 2.96Å; K49-R392 PolarHBondContact O-NH1 3.25Å
50	P	73.3	Confident	71.8	Confident	108 Å²	108	81.3 Å²	81.3	70%	0.701	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-50.6	140.6	178.8	-26.4	33.4	0	0	0	110.5	E52	P50-E52 PolarHBondContact O-N 3.13Å; P50-E52 VanDerWaalsContact O-N 3.15Å
51	L	85.5	Confident	73.6	Confident	45 Å²	45	79.5 Å²	79.5	24%	0.236	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-65	116.2	176.4	-175.5	67.8	0	0	0	108.5	K49 T53 S394	K49-L51 PolarHBondContact O-N 3.44Å; L51-T53 HydrophobicContact CD2-CG2 3.73Å; L51-T53 HydrophobicContact CG-CG2 3.74Å; L51-T53 PolarHBondContact O-N 3.42Å; L51-S394 WeakPolarHBondContact CD2-O 3.16Å
52	E	92.6	Very high	75.6	Confident	93 Å²	93	78.7 Å²	78.7	44%	0.435	47%	0.469	S	S	.	.			trans	-82.2	113	175.6	-68.6	178	-152.1	0	0	109	K49 P50 S194 R195	K49-E52 WeakPolarHBondContact CE-OE1 3.4Å; K49-E52 IonicContact NZ-OE1 2.72Å; K49-E52 PolarHBondContact NZ-OE1 2.96Å; P50-E52 PolarHBondContact O-N 3.13Å; P50-E52 VanDerWaalsContact O-N 3.15Å; E52-S194 WeakPolarHBondContact O-CA 3.32Å; E52-R195 HydrophobicContact CB-CG 4.43Å; E52-R195 PolarHBondContact O-N 3.17Å
53	T	93.6	Very high	77.6	Confident	27 Å²	27	77.6 Å²	77.6	17%	0.166	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	159.3	-178.2	59.8	0	0	0	0	113	L51 Q192 L193 N395	L51-T53 HydrophobicContact CD2-CG2 3.73Å; L51-T53 HydrophobicContact CG-CG2 3.74Å; L51-T53 PolarHBondContact O-N 3.42Å; T53-Q192 HydrophobicContact CG2-CB 4.5Å; T53-Q192 PolarHBondContact OG1-OE1 3.34Å; T53-L193 CarbonylContact C-O 3.58Å; T53-L193 WeakPolarHBondContact CA-O 3.42Å; T53-L193 WeakPolarHBondContact CB-O 3.12Å; T53-N395 HydrophobicContact CG2-CB 4.03Å
54	V	94	Very high	79.6	Confident	47 Å²	47	77.7 Å²	77.7	29%	0.285	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140	176.4	-167.7	0	0	0	0	108.8	Q192 L193 R195 I198	V54-Q192 CarbonylContact O-C 3.32Å; V54-Q192 VanDerWaalsContact O-CA 3.3Å; V54-Q192 WeakPolarHBondContact O-CA 3.48Å; V54-Q192 WeakPolarHBondContact O-CB 3.3Å; V54-L193 PolarHBondContact N-O 2.85Å; V54-L193 PolarHBondContact O-N 3.43Å; V54-R195 HydrophobicContact CG2-CG 3.4Å; V54-R195 VanDerWaalsContact CG2-CG 3.4Å; V54-I198 HydrophobicContact CB-CD1 4.41Å
55	A	93.8	Very high	81.7	Confident	73 Å²	73	76 Å²	76	60%	0.603	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.5	170	0	0	0	0	0	109.8
56	V	92.3	Very high	84.1	Confident	25 Å²	25	75.6 Å²	75.6	15%	0.152	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-91.6	137.3	179	-171.8	0	0	0	0	109.7	A187 L193 I210 R211	V56-A187 HydrophobicContact CG2-CB 4.49Å; V56-L193 HydrophobicContact CG2-CB 4.1Å; V56-L193 HydrophobicContact CG2-CD1 3.65Å; V56-L193 HydrophobicContact CG2-CG 3.64Å; V56-I210 HydrophobicContact CG1-CG2 3.73Å; V56-I210 WeakPolarHBondContact CG1-O 3.44Å; V56-I210 HydrophobicContact CG2-CG2 4.21Å; V56-R211 VanDerWaalsContact CG1-CA 3.41Å
57	E	93	Very high	86.3	Confident	133 Å²	133	73.4 Å²	73.4	62%	0.621	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.6	137.5	175.1	-64.7	-175.8	173.7	0	0	110.9	R211 G212	E57-R211 CarbonylContact O-C 3.57Å; E57-R211 WeakPolarHBondContact O-CA 3.45Å; E57-G212 PolarHBondContact O-N 3Å
58	A	95	Very high	88.2	Confident	80 Å²	80	74.4 Å²	74.4	66%	0.661	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-59.5	144.9	177.5	0	0	0	0	0	111.1	D60	A58-D60 PolarHBondContact O-N 3.27Å
59	L	95.6	Very high	89.1	Confident	31 Å²	31	73.6 Å²	73.6	16%	0.162	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-64.1	119.2	175.6	-173.3	150.1	0	0	0	110.2	V61 F186 R211 G212 V213 L224 V225 F228	L59-V61 HydrophobicContact CD2-CG2 3.64Å; L59-F186 HydrophobicContact CD1-CD1 3.76Å; L59-F186 HydrophobicContact CD1-CE1 3.57Å; L59-R211 HydrophobicContact CB-CB 3.92Å; L59-R211 HydrophobicContact CB-CG 4.46Å; L59-R211 HydrophobicContact CD1-CB 4.39Å; L59-R211 HydrophobicContact CG-CB 4.36Å; L59-G212 PolarHBondContact N-O 3.4Å; L59-V213 HydrophobicContact CB-CG2 4.05Å; L59-V213 HydrophobicContact CD1-CG2 3.82Å; L59-L224 HydrophobicContact CD2-CB 4.02Å; L59-V225 HydrophobicContact CD1-CG2 4.01Å; L59-F228 HydrophobicContact CD1-CB 4.22Å; L59-F228 HydrophobicContact CD1-CG 4.34Å; L59-F228 HydrophobicContact CD2-CB 4.48Å; L59-F228 HydrophobicContact CG-CG 4.46Å
60	D	93	Very high	89.3	Confident	77 Å²	77	71.3 Å²	71.3	41%	0.412	41%	0.411	S	S	.	.			trans	-123.5	120.3	170.9	-173.5	-19.1	0	0	0	108.6	A58 E62 V63	A58-D60 PolarHBondContact O-N 3.27Å; D60-E62 PolarHBondContact O-N 3.39Å; D60-E62 WeakPolarHBondContact OD1-CB 3.49Å; D60-E62 PolarHBondContact OD1-N 2.99Å; D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.94Å; D60-V63 PolarHBondContact O-N 3.34Å
61	V	91.5	Very high	88.5	Confident	19 Å²	19	75.1 Å²	75.1	12%	0.115	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.8	-175.5	-165.9	0	0	0	0	112.2	L59 L64 L224 K231	L59-V61 HydrophobicContact CD2-CG2 3.64Å; V61-L64 WeakPolarHBondContact O-CD2 3.47Å; V61-L224 HydrophobicContact CG2-CD2 3.71Å; V61-K231 HydrophobicContact CG1-CD 3.74Å; V61-K231 PolarHBondContact O-NZ 3.1Å
62	E	91.3	Very high	86.9	Confident	144 Å²	144	77.4 Å²	77.4	67%	0.673	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-19.6	172.8	-57.3	-53.7	136	0	0	112.3	D60 L64 K231	D60-E62 PolarHBondContact O-N 3.39Å; D60-E62 WeakPolarHBondContact OD1-CB 3.49Å; D60-E62 PolarHBondContact OD1-N 2.99Å; E62-L64 PolarHBondContact O-N 3.29Å; E62-K231 IonicContact OE1-NZ 2.85Å; E62-K231 PolarHBondContact OE1-NZ 2.79Å
63	V	92.6	Very high	84.8	Confident	57 Å²	57	76 Å²	76	35%	0.345	43%	0.431	S	S	.	.			trans	-93.4	79.6	177.8	-174.7	0	0	0	0	110.5	D60 T65 F228	D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.94Å; D60-V63 PolarHBondContact O-N 3.34Å; V63-T65 VanDerWaalsContact C-N 3.29Å; V63-T65 PolarHBondContact O-N 3.49Å; V63-F228 WeakPolarHBondContact O-CE2 3.47Å
64	L	92.9	Very high	82.7	Confident	69 Å²	69	79.4 Å²	79.4	36%	0.361	45%	0.448	S	S	.	.			trans	-85.7	6.5	-176.2	-55.1	179.8	0	0	0	114.1	V61 E62 F209 F228 K231 T232	V61-L64 WeakPolarHBondContact O-CD2 3.47Å; E62-L64 PolarHBondContact O-N 3.29Å; L64-F209 WeakPolarHBondContact O-CE1 3.22Å; L64-F228 HydrophobicContact CD2-CD2 4.19Å; L64-F228 HydrophobicContact CD2-CE2 4.17Å; L64-K231 HydrophobicContact CD1-CB 4.09Å; L64-K231 HydrophobicContact CD1-CD 4.29Å; L64-K231 HydrophobicContact CD2-CB 3.76Å; L64-K231 HydrophobicContact CD2-CD 4.01Å; L64-T232 HydrophobicContact CB-CG2 4.14Å; L64-T232 HydrophobicContact CD2-CG2 3.79Å
65	T	92.5	Very high	80.2	Confident	93 Å²	93	84.4 Å²	84.4	57%	0.571	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-75.1	136.1	-179.3	50.4	0	0	0	0	111	V63 R211	V63-T65 VanDerWaalsContact C-N 3.29Å; V63-T65 PolarHBondContact O-N 3.49Å; T65-R211 PolarHBondContact O-NH2 3.11Å
66	P	94.1	Very high	77.7	Confident	60 Å²	60	85 Å²	85	39%	0.39	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-67.5	160.3	175	30.2	-34.9	0	0	0	111.2	K207 F209	P66-K207 HydrophobicContact CB-CB 4.07Å; P66-K207 HydrophobicContact CB-CG 4.29Å; P66-K207 HydrophobicContact CG-CG 4.48Å; P66-F209 VanDerWaalsContact CA-CE1 3.45Å; P66-F209 HydrophobicContact CB-CD1 4.42Å; P66-F209 HydrophobicContact CB-CE1 3.85Å; P66-F209 HydrophobicContact CB-CZ 3.93Å
67	D	91.2	Very high	75.8	Confident	31 Å²	31	87.3 Å²	87.3	17%	0.166	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-64.4	146.1	178.7	-54.4	-36	0	0	0	111.4	S208 F209 I210 R211	D67-S208 PolarHBondContact N-O 3.1Å; D67-S208 PolarHBondContact OD2-OG 3.3Å; D67-F209 WeakPolarHBondContact OD2-CA 3.18Å; D67-I210 WeakPolarHBondContact OD2-CB 3.19Å; D67-I210 WeakPolarHBondContact OD2-CD1 3.46Å; D67-I210 WeakPolarHBondContact OD2-CG1 3.39Å; D67-I210 PolarHBondContact OD2-N 3.14Å; D67-R211 IonicContact OD1-CZ 3.65Å; D67-R211 IonicContact OD1-NH1 2.91Å; D67-R211 PolarHBondContact OD1-NH1 3.04Å; D67-R211 IonicContact OD1-NH2 3.72Å
68	S	85.6	Confident	73.9	Confident	109 Å²	109	86.4 Å²	86.4	76%	0.762	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.3	135.7	176.3	59.5	0	0	0	0	111.1	Q202	S68-Q202 PolarHBondContact O-NE2 3.45Å; S68-Q202 VanDerWaalsContact O-NE2 3.1Å
69	R	76.1	Confident	72	Confident	83 Å²	83	90.3 Å²	90.3	31%	0.313	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-99.1	131	176.6	-67.2	179.8	168.6	-141	-26.6	110.8	R71 Q202 S205 D206	R69-R71 PolarHBondContact O-N 3.33Å; R69-Q202 PolarHBondContact NH2-O 3.02Å; R69-Q202 VanDerWaalsContact NH2-O 3.09Å; R69-S205 PolarHBondContact NH1-O 3.03Å; R69-S205 PolarHBondContact NH2-O 3.07Å; R69-S205 PolarHBondContact NH2-OG 3.04Å; R69-S205 VanDerWaalsContact NH2-OG 3.1Å; R69-D206 PolarHBondContact NE-O 3.39Å; R69-D206 PolarHBondContact NH1-O 2.78Å; R69-D206 PolarHBondContact NH2-O 3.12Å
70	D	65.4	Low	70.8	Confident	93 Å²	93	92 Å²	92	50%	0.497	51%	0.505	S	S	.	.			trans	-83.1	105.9	163.5	-166.9	-13.3	0	0	0	108.8	S72	D70-S72 VanDerWaalsContact C-N 3.29Å; D70-S72 VanDerWaalsContact CG-OG 3.28Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.37Å; D70-S72 PolarHBondContact OD1-N 3Å; D70-S72 PolarHBondContact OD1-OG 2.77Å; D70-S72 PolarHBondContact OD2-OG 3.35Å
71	R	57.4	Low	70.1	Confident	189 Å²	189	91.3 Å²	91.3	71%	0.713	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-83	-4.6	-179.9	-68.6	-172.5	177.7	-160.6	-2.6	113.2	R69 S73 L74	R69-R71 PolarHBondContact O-N 3.33Å; R71-S73 PolarHBondContact O-N 2.94Å; R71-L74 PolarHBondContact O-N 2.95Å
72	S	52.2	Low	69.8	Low	92 Å²	92	94.3 Å²	94.3	64%	0.643	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16.4	-172.5	65.6	0	0	0	0	114.4	D70	D70-S72 VanDerWaalsContact C-N 3.29Å; D70-S72 VanDerWaalsContact CG-OG 3.28Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.37Å; D70-S72 PolarHBondContact OD1-N 3Å; D70-S72 PolarHBondContact OD1-OG 2.77Å; D70-S72 PolarHBondContact OD2-OG 3.35Å
73	S	48.4	Very low	69.6	Low	64 Å²	64	93.5 Å²	93.5	45%	0.448	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-89.9	-16.8	179.4	60	0	0	0	0	114.8	R71	R71-S73 PolarHBondContact O-N 2.94Å
74	L	49.1	Very low	69.4	Low	99 Å²	99	91.8 Å²	91.8	52%	0.518	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-78.4	-27.4	-173.7	-82.3	134.7	0	0	0	113.6	R71 A76	R71-L74 PolarHBondContact O-N 2.95Å; L74-A76 VanDerWaalsContact C-N 3.28Å; L74-A76 PolarHBondContact O-N 3.28Å
75	D	40.9	Very low	69.3	Low	152 Å²	152	88.7 Å²	88.7	81%	0.813	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-78.9	-0.6	-173.4	-81.9	-18.4	0	0	0	114.8
76	A	42.6	Very low	69.2	Low	84 Å²	84	86.6 Å²	86.6	69%	0.694	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-100.6	-2.6	-171	0	0	0	0	0	116.2	L74	L74-A76 VanDerWaalsContact C-N 3.28Å; L74-A76 PolarHBondContact O-N 3.28Å
77	Q	51.1	Low	69	Low	75 Å²	75	85.2 Å²	85.2	35%	0.35	47%	0.466	S	S	.	.			trans	-130.9	40.4	-166.5	-67.5	-160.9	5.9	0	0	116.8	Q79	Q77-Q79 PolarHBondContact O-N 2.97Å
78	T	53.2	Low	69.1	Low	114 Å²	114	83.7 Å²	83.7	70%	0.699	46%	0.458	S	S	*	.			trans	-69.1	-12.2	171	-21	0	0	0	0	113.1	N80	T78-N80 PolarHBondContact O-N 2.89Å
79	Q	56.6	Low	69.4	Low	161 Å²	161	78.6 Å²	78.6	75%	0.752	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	120.5	-177.6	-145.5	172.8	17.8	0	0	110.9	Q77	Q77-Q79 PolarHBondContact O-N 2.97Å
80	N	70.4	Confident	70.1	Confident	68 Å²	68	77 Å²	77	36%	0.364	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	12.1	-178.1	-53.5	-61.1	0	0	0	116.9	L32 T78 T82 K83 R84	L32-N80 HydrophobicContact CD2-CB 4.08Å; T78-N80 PolarHBondContact O-N 2.89Å; N80-T82 VanDerWaalsContact C-N 3.34Å; N80-T82 PolarHBondContact O-N 3.06Å; N80-K83 HydrophobicContact CB-CB 4.43Å; N80-K83 PolarHBondContact O-N 3.19Å; N80-R84 PolarHBondContact O-N 2.9Å
81	M	78.3	Confident	71.4	Confident	61 Å²	61	73.7 Å²	73.7	30%	0.3	41%	0.414	S	S	.	.	H	α-helix	trans	-48.8	-51.5	177.6	-160.3	-168.3	-158.1	0	0	112.4	K83 R84 M85 D166	M81-K83 VanDerWaalsContact C-N 3.33Å; M81-K83 PolarHBondContact O-N 2.78Å; M81-R84 WeakPolarHBondContact O-CB 3.49Å; M81-R84 PolarHBondContact O-N 3.19Å; M81-R84 VanDerWaalsContact O-N 3.14Å; M81-M85 HydrophobicContact CB-CE 4.49Å; M81-M85 HydrophobicContact CG-CE 3.94Å; M81-M85 WeakPolarHBondContact O-CG 3.48Å; M81-M85 PolarHBondContact O-N 2.85Å; M81-M85 HydrophobicContact SD-CE 4.41Å; M81-D166 HydrophobicContact CE-CB 3.76Å; M81-D166 WeakPolarHBondContact CE-OD1 3.33Å; M81-D166 WeakPolarHBondContact CE-OD2 3.32Å
82	T	83.9	Confident	73.1	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-53.9	-44.4	174.8	-55.6	0	0	0	0	113.4	N80 A86 Y447	N80-T82 VanDerWaalsContact C-N 3.34Å; N80-T82 PolarHBondContact O-N 3.06Å; T82-A86 WeakPolarHBondContact O-CB 3.42Å; T82-A86 PolarHBondContact O-N 3.43Å; T82-A86 VanDerWaalsContact O-N 3.1Å; T82-Y447 WeakPolarHBondContact CA-OH 3.46Å; T82-Y447 WeakPolarHBondContact CB-OH 3.45Å; T82-Y447 HydrophobicContact CG2-CE1 3.77Å; T82-Y447 WeakPolarHBondContact CG2-OH 3.43Å; T82-Y447 WeakPolarHBondContact O-CE1 3.4Å; T82-Y447 PolarHBondContact OG1-OH 3.43Å
83	K	86.5	Confident	75.1	Confident	127 Å²	127	61.5 Å²	61.5	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-70	-39.8	179.8	-66.5	179.3	-176	166.8	0	111.1	L32 N80 M81 V87	L32-K83 HydrophobicContact CD1-CB 3.8Å; N80-K83 HydrophobicContact CB-CB 4.43Å; N80-K83 PolarHBondContact O-N 3.19Å; M81-K83 VanDerWaalsContact C-N 3.33Å; M81-K83 PolarHBondContact O-N 2.78Å; K83-V87 WeakPolarHBondContact O-CB 3.37Å; K83-V87 WeakPolarHBondContact O-CG2 3.46Å; K83-V87 PolarHBondContact O-N 3.03Å
84	R	89.3	Confident	77.3	Confident	21 Å²	21	60.4 Å²	60.4	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-48.6	176.5	-75.2	-179.4	-177.7	163.3	4.8	110.7	L32 F33 N80 M81 A86 V87 L88 T163	L32-R84 HydrophobicContact CB-CG 4Å; L32-R84 PolarHBondContact O-NE 3.49Å; L32-R84 PolarHBondContact O-NH2 3.25Å; F33-R84 HydrophobicContact CE1-CB 3.93Å; F33-R84 HydrophobicContact CE1-CG 3.91Å; F33-R84 HydrophobicContact CZ-CB 3.75Å; F33-R84 HydrophobicContact CZ-CG 3.97Å; N80-R84 PolarHBondContact O-N 2.9Å; M81-R84 WeakPolarHBondContact O-CB 3.49Å; M81-R84 PolarHBondContact O-N 3.19Å; M81-R84 VanDerWaalsContact O-N 3.14Å; R84-A86 PolarHBondContact O-N 3.36Å; R84-V87 PolarHBondContact O-N 3.43Å; R84-L88 VanDerWaalsContact O-CB 3.27Å; R84-L88 WeakPolarHBondContact O-CB 3.33Å; R84-L88 PolarHBondContact O-N 3.48Å; R84-T163 HydrophobicContact CB-CG2 3.85Å
85	M	90.8	Very high	79.5	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-48.5	178.7	-69.1	-174	-73.5	0	0	111.9	M81 V87 L88 A89 T163 D166 I167 L170 Y447	M81-M85 HydrophobicContact CB-CE 4.49Å; M81-M85 HydrophobicContact CG-CE 3.94Å; M81-M85 WeakPolarHBondContact O-CG 3.48Å; M81-M85 PolarHBondContact O-N 2.85Å; M81-M85 HydrophobicContact SD-CE 4.41Å; M85-V87 VanDerWaalsContact C-N 3.33Å; M85-V87 PolarHBondContact O-N 3.11Å; M85-L88 PolarHBondContact O-N 2.97Å; M85-A89 WeakPolarHBondContact O-CB 3.28Å; M85-A89 PolarHBondContact O-N 2.87Å; M85-T163 HydrophobicContact CB-CG2 4.34Å; M85-T163 HydrophobicContact CG-CG2 3.69Å; M85-D166 HydrophobicContact CG-CB 4.46Å; M85-D166 HydrophobicContact SD-CB 3.89Å; M85-I167 HydrophobicContact CB-CG1 4.22Å; M85-I167 HydrophobicContact CG-CG1 3.92Å; M85-I167 HydrophobicContact SD-CG1 4.2Å; M85-L170 HydrophobicContact CE-CD1 4.21Å; M85-L170 HydrophobicContact SD-CD1 3.61Å; M85-L170 HydrophobicContact SD-CG 4.42Å; M85-Y447 HydrophobicContact CB-CD1 4.41Å; M85-Y447 HydrophobicContact CB-CD2 3.74Å; M85-Y447 HydrophobicContact CB-CE1 4.42Å; M85-Y447 HydrophobicContact CB-CE2 3.73Å; M85-Y447 HydrophobicContact CB-CG 4.08Å; M85-Y447 HydrophobicContact CE-CD2 4.37Å; M85-Y447 HydrophobicContact CE-CE2 3.35Å; M85-Y447 WeakPolarHBondContact CE-OH 3.31Å; M85-Y447 HydrophobicContact CG-CE2 4.33Å; M85-Y447 HydrophobicContact SD-CD2 4.19Å; M85-Y447 HydrophobicContact SD-CE2 3.69Å
86	A	90.6	Very high	82.1	Confident	49 Å²	49	48.5 Å²	48.5	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-41.3	177.7	0	0	0	0	0	113.1	T82 R84 G90 Y447	T82-A86 WeakPolarHBondContact O-CB 3.42Å; T82-A86 PolarHBondContact O-N 3.43Å; T82-A86 VanDerWaalsContact O-N 3.1Å; R84-A86 PolarHBondContact O-N 3.36Å; A86-G90 PolarHBondContact O-N 2.97Å; A86-Y447 HydrophobicContact CB-CD1 3.85Å; A86-Y447 HydrophobicContact CB-CE1 4.27Å
87	V	90.7	Very high	84.6	Confident	30 Å²	30	44.6 Å²	44.6	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-44.3	178	170.2	0	0	0	0	111	P29 L32 F33 K83 R84 M85 G90 L91	P29-V87 HydrophobicContact CB-CG2 4.06Å; P29-V87 HydrophobicContact CG-CB 4.14Å; P29-V87 HydrophobicContact CG-CG1 3.75Å; P29-V87 HydrophobicContact CG-CG2 3.22Å; L32-V87 HydrophobicContact CD1-CG2 3.99Å; F33-V87 HydrophobicContact CE2-CB 4.34Å; F33-V87 HydrophobicContact CE2-CG1 3.91Å; K83-V87 WeakPolarHBondContact O-CB 3.37Å; K83-V87 WeakPolarHBondContact O-CG2 3.46Å; K83-V87 PolarHBondContact O-N 3.03Å; R84-V87 PolarHBondContact O-N 3.43Å; M85-V87 VanDerWaalsContact C-N 3.33Å; M85-V87 PolarHBondContact O-N 3.11Å; V87-G90 PolarHBondContact O-N 3.12Å; V87-L91 PolarHBondContact O-N 3.02Å
88	L	92.4	Very high	86.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-42	-179.5	-171.9	57.3	0	0	0	111	F33 R84 M85 G90 L91 L92 Y118 I160 T163 L164 I167	F33-L88 HydrophobicContact CZ-CB 4.1Å; R84-L88 VanDerWaalsContact O-CB 3.27Å; R84-L88 WeakPolarHBondContact O-CB 3.33Å; R84-L88 PolarHBondContact O-N 3.48Å; M85-L88 PolarHBondContact O-N 2.97Å; L88-G90 PolarHBondContact O-N 3.21Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.42Å; L88-Y118 HydrophobicContact CD1-CE1 3.84Å; L88-I160 HydrophobicContact CD1-CG2 4.08Å; L88-I160 HydrophobicContact CD2-CG2 4.21Å; L88-T163 HydrophobicContact CB-CG2 4.22Å; L88-T163 HydrophobicContact CD2-CG2 3.61Å; L88-L164 HydrophobicContact CD2-CD2 3.57Å; L88-L164 HydrophobicContact CD2-CG 3.78Å; L88-L164 HydrophobicContact CG-CD2 4.16Å; L88-I167 HydrophobicContact CD2-CD1 4.32Å
89	A	92.1	Very high	88.7	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-54.4	-42.4	172.2	0	0	0	0	0	111.7	M85 L91 L92 N93 S449	M85-A89 WeakPolarHBondContact O-CB 3.28Å; M85-A89 PolarHBondContact O-N 2.87Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.23Å; A89-L92 PolarHBondContact O-N 3.09Å; A89-N93 VanDerWaalsContact O-CB 3.3Å; A89-N93 WeakPolarHBondContact O-CB 3.16Å; A89-N93 PolarHBondContact O-N 2.93Å; A89-N93 PolarHBondContact O-ND2 2.8Å; A89-N93 PolarHBondContact O-OD1 3.15Å; A89-S449 VanDerWaalsContact CB-OG 3.31Å; A89-S449 WeakPolarHBondContact CB-OG 3.4Å
90	G	91	Very high	90.6	Very high	49 Å²	49	33.8 Å²	33.8	51%	0.505	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-29.6	176.3	0	0	0	0	0	114.8	A86 V87 L88 P94	A86-G90 PolarHBondContact O-N 2.97Å; V87-G90 PolarHBondContact O-N 3.12Å; L88-G90 PolarHBondContact O-N 3.21Å; G90-P94 WeakPolarHBondContact O-CD 3.43Å; G90-P94 WeakPolarHBondContact O-CG 3.35Å
91	L	91.6	Very high	91.7	Very high	24 Å²	24	31.7 Å²	31.7	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-84.7	-45	174.4	-63.2	175.2	0	0	0	111.6	F30 V87 L88 A89 P94 L95 G141 L142	F30-L91 HydrophobicContact CE1-CD1 4.19Å; F30-L91 HydrophobicContact CE1-CD2 4.32Å; V87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 3.48Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.23Å; L91-P94 WeakPolarHBondContact O-CD 3.49Å; L91-P94 WeakPolarHBondContact O-CG 3.38Å; L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 PolarHBondContact O-N 2.62Å; L91-G141 WeakPolarHBondContact CD2-O 3Å; L91-L142 HydrophobicContact CD1-CD2 3.68Å
92	L	93.9	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-53.2	-176.8	178.4	67.5	0	0	0	111.7	L88 A89 L95 G96 P114 V115 Y118	L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.42Å; A89-L92 PolarHBondContact O-N 3.09Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-G96 WeakPolarHBondContact O-CA 3.38Å; L92-G96 PolarHBondContact O-N 3.42Å; L92-P114 HydrophobicContact CD1-CB 3.85Å; L92-P114 WeakPolarHBondContact CD1-O 3.37Å; L92-P114 HydrophobicContact CG-CB 4.07Å; L92-V115 HydrophobicContact CD2-CG2 3.63Å; L92-Y118 HydrophobicContact CD1-CD2 3.7Å; L92-Y118 HydrophobicContact CD1-CG 3.79Å
93	N	94.4	Very high	92.9	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-53.5	-172	-70.6	-5.9	0	0	0	113.4	A89 L95 G96 L97 E448 I450	A89-N93 VanDerWaalsContact O-CB 3.3Å; A89-N93 WeakPolarHBondContact O-CB 3.16Å; A89-N93 PolarHBondContact O-N 2.93Å; A89-N93 PolarHBondContact O-ND2 2.8Å; A89-N93 PolarHBondContact O-OD1 3.15Å; N93-L95 PolarHBondContact O-N 3.19Å; N93-G96 PolarHBondContact O-N 3.15Å; N93-L97 WeakPolarHBondContact O-CG 3.5Å; N93-L97 PolarHBondContact O-N 3.44Å; N93-E448 PolarHBondContact ND2-O 2.79Å; N93-I450 HydrophobicContact CB-CD1 3.93Å; N93-I450 HydrophobicContact CB-CG1 4.34Å; N93-I450 WeakPolarHBondContact OD1-CG1 3.14Å; N93-I450 PolarHBondContact OD1-N 3.3Å
94	P	93.6	Very high	93.1	Very high	41 Å²	41	20.4 Å²	20.4	27%	0.266	12%	0.119	S	C	.	.	H	α-helix	trans	-67.2	-35.4	179.6	26.6	-35	0	0	0	112.9	G90 L91 R98 A338	G90-P94 WeakPolarHBondContact O-CD 3.43Å; G90-P94 WeakPolarHBondContact O-CG 3.35Å; L91-P94 WeakPolarHBondContact O-CD 3.49Å; L91-P94 WeakPolarHBondContact O-CG 3.38Å; P94-R98 WeakPolarHBondContact O-CG 3.36Å; P94-R98 PolarHBondContact O-N 2.72Å; P94-R98 PolarHBondContact O-NH1 3.33Å; P94-A338 HydrophobicContact CB-CB 4.07Å
95	L	95	Very high	92.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-42.5	176	180	59.8	0	0	0	111.4	L91 L92 N93 L97 R98 M99 Y118 F139 L140	L91-L95 WeakPolarHBondContact O-CB 3.43Å; L91-L95 PolarHBondContact O-N 2.62Å; L92-L95 PolarHBondContact O-N 2.84Å; N93-L95 PolarHBondContact O-N 3.19Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.35Å; L95-R98 VanDerWaalsContact CD1-NH2 3.31Å; L95-R98 WeakPolarHBondContact O-CB 3.15Å; L95-R98 PolarHBondContact O-N 3.05Å; L95-R98 VanDerWaalsContact O-N 3.11Å; L95-M99 HydrophobicContact CD1-CG 4.39Å; L95-M99 HydrophobicContact CG-CE 4.03Å; L95-M99 HydrophobicContact CG-SD 4.39Å; L95-M99 WeakPolarHBondContact O-CG 3.31Å; L95-M99 PolarHBondContact O-N 3.48Å; L95-Y118 HydrophobicContact CD2-CD2 3.96Å; L95-Y118 HydrophobicContact CD2-CE2 3.88Å; L95-F139 HydrophobicContact CD1-CE1 4.07Å; L95-F139 HydrophobicContact CD1-CE2 4.03Å; L95-F139 HydrophobicContact CD1-CZ 3.74Å; L95-F139 HydrophobicContact CD2-CD1 4.47Å; L95-F139 HydrophobicContact CD2-CE1 4.23Å; L95-L140 HydrophobicContact CD2-CD2 4.16Å
96	G	96	Very high	92.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-45.9	175.6	0	0	0	0	0	112.8	L92 N93 R98 M99 Y100	L92-G96 WeakPolarHBondContact O-CA 3.38Å; L92-G96 PolarHBondContact O-N 3.42Å; N93-G96 PolarHBondContact O-N 3.15Å; G96-R98 PolarHBondContact O-N 3.25Å; G96-M99 PolarHBondContact O-N 3.07Å; G96-Y100 WeakPolarHBondContact O-CB 3.03Å; G96-Y100 PolarHBondContact O-N 3.39Å
97	L	95.1	Very high	91.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-40.9	174.6	-74.3	166.6	0	0	0	112.4	N93 L95 Y100 H101 L336 A338 M341 I450 L453	N93-L97 WeakPolarHBondContact O-CG 3.5Å; N93-L97 PolarHBondContact O-N 3.44Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.35Å; L97-Y100 PolarHBondContact O-N 2.96Å; L97-H101 PolarHBondContact O-CD2 3.09Å; L97-H101 PolarHBondContact O-N 2.87Å; L97-L336 HydrophobicContact CD2-CB 4.43Å; L97-A338 HydrophobicContact CD1-CB 4.09Å; L97-A338 VanDerWaalsContact CD1-N 3.34Å; L97-M341 HydrophobicContact CD1-SD 4.03Å; L97-M341 HydrophobicContact CD2-SD 3.76Å; L97-M341 HydrophobicContact CG-SD 4.43Å; L97-I450 HydrophobicContact CD1-CD1 4.36Å; L97-I450 HydrophobicContact CG-CD1 4.36Å; L97-L453 HydrophobicContact CD2-CD1 3.89Å; L97-L453 HydrophobicContact CD2-CD2 3.79Å; L97-L453 HydrophobicContact CG-CD1 4.33Å
98	R	94.6	Very high	91.2	Very high	123 Å²	123	40.3 Å²	40.3	46%	0.464	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-41.9	175.7	-69.1	-170.5	-58	-90	9.2	112.2	P94 L95 G96 H101 A102 M375	P94-R98 WeakPolarHBondContact O-CG 3.36Å; P94-R98 PolarHBondContact O-N 2.72Å; P94-R98 PolarHBondContact O-NH1 3.33Å; L95-R98 VanDerWaalsContact CD1-NH2 3.31Å; L95-R98 WeakPolarHBondContact O-CB 3.15Å; L95-R98 PolarHBondContact O-N 3.05Å; L95-R98 VanDerWaalsContact O-N 3.11Å; G96-R98 PolarHBondContact O-N 3.25Å; R98-H101 PolarHBondContact O-N 3.17Å; R98-A102 PolarHBondContact O-N 3.1Å; R98-M375 HydrophobicContact CB-CE 3.88Å
99	M	96.2	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176.2	-70	-172.1	-63.6	0	0	111.3	L95 G96 H101 A102 F103 F112 T117 L121 F139 L371 M375	L95-M99 HydrophobicContact CD1-CG 4.39Å; L95-M99 HydrophobicContact CG-CE 4.03Å; L95-M99 HydrophobicContact CG-SD 4.39Å; L95-M99 WeakPolarHBondContact O-CG 3.31Å; L95-M99 PolarHBondContact O-N 3.48Å; G96-M99 PolarHBondContact O-N 3.07Å; M99-H101 VanDerWaalsContact C-N 3.34Å; M99-H101 PolarHBondContact O-N 2.98Å; M99-A102 PolarHBondContact O-N 3.05Å; M99-A102 VanDerWaalsContact O-N 3.16Å; M99-F103 PolarHBondContact O-N 2.9Å; M99-F112 HydrophobicContact CB-CE1 3.96Å; M99-F112 HydrophobicContact CB-CE2 4.18Å; M99-F112 HydrophobicContact CB-CZ 3.46Å; M99-F112 VanDerWaalsContact CB-CZ 3.46Å; M99-F112 HydrophobicContact CE-CE1 4.27Å; M99-F112 HydrophobicContact CE-CZ 3.94Å; M99-F112 HydrophobicContact CG-CZ 4.44Å; M99-F112 HydrophobicContact SD-CZ 4.3Å; M99-T117 HydrophobicContact CE-CG2 4Å; M99-T117 HydrophobicContact SD-CG2 3.6Å; M99-L121 HydrophobicContact SD-CD1 4.1Å; M99-F139 HydrophobicContact CG-CZ 4.43Å; M99-F139 HydrophobicContact SD-CE1 4.35Å; M99-F139 HydrophobicContact SD-CZ 4.37Å; M99-L371 HydrophobicContact CB-CD1 4.31Å; M99-L371 HydrophobicContact CB-CD2 4.22Å; M99-L371 HydrophobicContact CG-CD2 4.38Å; M99-L371 VanDerWaalsContact O-CD1 3.26Å; M99-L371 WeakPolarHBondContact O-CD1 3.47Å; M99-L371 HydrophobicContact SD-CD2 4.34Å; M99-M375 HydrophobicContact CB-SD 4.35Å; M99-M375 HydrophobicContact CG-CE 4.12Å; M99-M375 HydrophobicContact CG-SD 3.69Å
100	Y	96.1	Very high	91.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56	-47	174.5	171.2	-103.2	0	0	0	111.8	G96 L97 A102 F103 S104 F112 E333 F439 L453	G96-Y100 WeakPolarHBondContact O-CB 3.03Å; G96-Y100 PolarHBondContact O-N 3.39Å; L97-Y100 PolarHBondContact O-N 2.96Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 3.34Å; Y100-F103 PolarHBondContact O-N 3.37Å; Y100-F103 VanDerWaalsContact O-N 3.11Å; Y100-S104 WeakPolarHBondContact O-CB 3.46Å; Y100-S104 PolarHBondContact O-N 3.46Å; Y100-S104 PolarHBondContact O-OG 2.7Å; Y100-F112 HydrophobicContact CD2-CB 3.77Å; Y100-F112 HydrophobicContact CD2-CG 4.39Å; Y100-E333 HydrophobicContact CE1-CG 4.08Å; Y100-E333 WeakPolarHBondContact CE1-OE1 3.38Å; Y100-E333 PolarHBondContact OH-OE1 2.92Å; Y100-E333 VanDerWaalsContact OH-OE1 3.11Å; Y100-F439 HydrophobicContact CE1-CD2 4.23Å; Y100-F439 AromaticContact CE1-CE2 3.79Å; Y100-F439 HydrophobicContact CE1-CE2 3.79Å; Y100-F439 AromaticContact CZ-CE2 3.84Å; Y100-F439 WeakPolarHBondContact OH-CD2 3.37Å; Y100-L453 HydrophobicContact CD1-CB 4.39Å; Y100-L453 HydrophobicContact CD1-CD1 4.46Å; Y100-L453 HydrophobicContact CD2-CB 3.61Å; Y100-L453 HydrophobicContact CD2-CD1 4.49Å; Y100-L453 HydrophobicContact CE2-CB 3.97Å; Y100-L453 HydrophobicContact CG-CB 3.82Å; Y100-L453 HydrophobicContact CG-CD1 3.94Å; Y100-L453 HydrophobicContact CG-CG 4.48Å
101	H	93.2	Very high	91.6	Very high	25 Å²	25	39 Å²	39	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-37.7	177.2	-80.7	-45.3	0	0	0	113.6	L97 R98 M99 R105 E333 L336	L97-H101 PolarHBondContact O-CD2 3.09Å; L97-H101 PolarHBondContact O-N 2.87Å; R98-H101 PolarHBondContact O-N 3.17Å; M99-H101 VanDerWaalsContact C-N 3.34Å; M99-H101 PolarHBondContact O-N 2.98Å; H101-R105 WeakPolarHBondContact O-CD 3.2Å; H101-R105 VanDerWaalsContact O-CG 3.26Å; H101-R105 WeakPolarHBondContact O-CG 3.41Å; H101-E333 PolarHBondContact CE1-O 2.85Å; H101-L336 PolarHBondContact NE2-O 3.32Å
102	A	93.4	Very high	91.9	Very high	9 Å²	9	37.9 Å²	37.9	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-38	176.9	0	0	0	0	0	111.7	R98 M99 Y100 L371 T374 M375	R98-A102 PolarHBondContact O-N 3.1Å; M99-A102 PolarHBondContact O-N 3.05Å; M99-A102 VanDerWaalsContact O-N 3.16Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 3.34Å; A102-L371 HydrophobicContact CB-CD1 3.9Å; A102-T374 HydrophobicContact CB-CG2 4.18Å; A102-T374 WeakPolarHBondContact O-CG2 3.48Å; A102-M375 HydrophobicContact CB-CB 4.42Å; A102-M375 HydrophobicContact CB-CG 3.32Å; A102-M375 HydrophobicContact CB-SD 4.46Å
103	F	93.8	Very high	92.1	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.096	17%	0.172	C	C	.	.	H	α-helix	trans	-72.9	-48.7	179.1	-177.8	-128	0	0	0	113	M99 Y100 R105 K106 Q107 T110 F112 I366 L371	M99-F103 PolarHBondContact O-N 2.9Å; Y100-F103 PolarHBondContact O-N 3.37Å; Y100-F103 VanDerWaalsContact O-N 3.11Å; F103-R105 VanDerWaalsContact C-N 3.25Å; F103-R105 PolarHBondContact O-N 3.42Å; F103-K106 PolarHBondContact O-N 2.93Å; F103-Q107 HydrophobicContact CE2-CG 4.17Å; F103-Q107 HydrophobicContact CZ-CG 4.22Å; F103-T110 HydrophobicContact CD1-CG2 3.35Å; F103-T110 HydrophobicContact CE1-CG2 3.13Å; F103-T110 HydrophobicContact CG-CG2 4.44Å; F103-T110 HydrophobicContact CZ-CG2 4.06Å; F103-F112 HydrophobicContact CD1-CB 4.35Å; F103-F112 HydrophobicContact CD1-CD2 4.08Å; F103-I366 HydrophobicContact CD1-CD1 4.48Å; F103-I366 HydrophobicContact CD1-CG1 4.11Å; F103-I366 HydrophobicContact CD2-CG1 4.07Å; F103-I366 HydrophobicContact CD2-CG2 4.21Å; F103-I366 HydrophobicContact CE1-CD1 4.17Å; F103-I366 HydrophobicContact CE1-CG1 3.62Å; F103-I366 HydrophobicContact CE2-CB 4.27Å; F103-I366 HydrophobicContact CE2-CG1 3.63Å; F103-I366 HydrophobicContact CE2-CG2 4.32Å; F103-I366 HydrophobicContact CG-CG1 4.32Å; F103-I366 HydrophobicContact CZ-CB 4.46Å; F103-I366 HydrophobicContact CZ-CD1 4.41Å; F103-I366 HydrophobicContact CZ-CG1 3.4Å; F103-I366 VanDerWaalsContact CZ-CG1 3.4Å; F103-L371 HydrophobicContact CB-CD1 4.12Å
104	S	91.2	Very high	92.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-24.5	-169.5	77.4	0	0	0	0	113.2	Y100 K106 Q107 E333 K455	Y100-S104 WeakPolarHBondContact O-CB 3.46Å; Y100-S104 PolarHBondContact O-N 3.46Å; Y100-S104 PolarHBondContact O-OG 2.7Å; S104-K106 PolarHBondContact O-N 3.19Å; S104-K106 VanDerWaalsContact O-N 3.14Å; S104-Q107 PolarHBondContact O-N 3.18Å; S104-Q107 VanDerWaalsContact O-O 3.06Å; S104-E333 WeakPolarHBondContact CB-OE1 3.46Å; S104-E333 PolarHBondContact OG-OE1 3.23Å; S104-K455 WeakPolarHBondContact O-CE 3.34Å; S104-K455 PolarHBondContact O-NZ 3.14Å
105	R	84.6	Confident	92.4	Very high	182 Å²	182	34.8 Å²	34.8	69%	0.687	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.3	177.6	-76.8	171.8	-177.9	-165.1	0.3	114.2	H101 F103	H101-R105 WeakPolarHBondContact O-CD 3.2Å; H101-R105 VanDerWaalsContact O-CG 3.26Å; H101-R105 WeakPolarHBondContact O-CG 3.41Å; F103-R105 VanDerWaalsContact C-N 3.25Å; F103-R105 PolarHBondContact O-N 3.42Å
106	K	76.5	Confident	92.5	Very high	132 Å²	132	34.7 Å²	34.7	57%	0.574	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-3.1	-176.5	-61.3	-175	-174.9	175.3	0	113.6	F103 S104 T374	F103-K106 PolarHBondContact O-N 2.93Å; S104-K106 PolarHBondContact O-N 3.19Å; S104-K106 VanDerWaalsContact O-N 3.14Å; K106-T374 WeakPolarHBondContact CE-OG1 3.16Å; K106-T374 PolarHBondContact NZ-OG1 2.8Å
107	Q	76.3	Confident	92.6	Very high	93 Å²	93	34.7 Å²	34.7	44%	0.435	15%	0.153	S	C	.	.			trans	-132	148.6	-166.6	-62.4	-64.4	-13.9	0	0	111.4	F103 S104 T110 K455	F103-Q107 HydrophobicContact CE2-CG 4.17Å; F103-Q107 HydrophobicContact CZ-CG 4.22Å; S104-Q107 PolarHBondContact O-N 3.18Å; S104-Q107 VanDerWaalsContact O-O 3.06Å; Q107-T110 HydrophobicContact CB-CG2 4.28Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.4Å; Q107-K455 WeakPolarHBondContact O-CE 3.4Å; Q107-K455 PolarHBondContact O-NZ 3.5Å; Q107-K455 VanDerWaalsContact O-NZ 3.11Å
108	N	84	Confident	92.8	Very high	116 Å²	116	34.6 Å²	34.6	62%	0.62	15%	0.152	S	C	*	.	S	Bend	trans	-82.3	-84.3	178.4	-77.3	-7.6	0	0	0	110.4	K455 T457	N108-K455 WeakPolarHBondContact O-CE 3.35Å; N108-K455 WeakPolarHBondContact O-CG 3.42Å; N108-T457 WeakPolarHBondContact CB-OG1 3.42Å; N108-T457 WeakPolarHBondContact O-CG2 3.04Å
109	N	93.8	Very high	92.9	Very high	24 Å²	24	28.8 Å²	28.8	13%	0.128	13%	0.13	C	C	.	.	S	Bend	trans	-76.4	135.3	164.9	-77	7.8	0	0	0	108.8	L362 K455 T457 N458 L461	N109-L362 HydrophobicContact CB-CD2 3.71Å; N109-K455 WeakPolarHBondContact CA-O 3.4Å; N109-T457 PolarHBondContact N-OG1 3.02Å; N109-T457 PolarHBondContact OD1-N 2.85Å; N109-T457 PolarHBondContact OD1-OG1 3.48Å; N109-N458 PolarHBondContact ND2-O 3.2Å; N109-N458 PolarHBondContact OD1-N 2.89Å; N109-L461 PolarHBondContact ND2-O 3.42Å
110	T	94.4	Very high	93	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	137.3	-173.8	-49.4	0	0	0	0	110.7	F103 Q107 G454 K455	F103-T110 HydrophobicContact CD1-CG2 3.35Å; F103-T110 HydrophobicContact CE1-CG2 3.13Å; F103-T110 HydrophobicContact CG-CG2 4.44Å; F103-T110 HydrophobicContact CZ-CG2 4.06Å; Q107-T110 HydrophobicContact CB-CG2 4.28Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.4Å; T110-G454 CarbonylContact O-C 3.59Å; T110-G454 WeakPolarHBondContact O-CA 3.31Å; T110-K455 PolarHBondContact N-O 2.72Å; T110-K455 PolarHBondContact O-N 3.45Å
111	V	97.1	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.5	166	65.7	0	0	0	0	109.8	L362 S364 V408 F410 F440 L452 L453	V111-L362 HydrophobicContact CB-CB 3.85Å; V111-L362 HydrophobicContact CB-CD1 3.88Å; V111-L362 HydrophobicContact CG1-CB 3.69Å; V111-S364 PolarHBondContact N-OG 2.84Å; V111-S364 VanDerWaalsContact N-OG 3.14Å; V111-S364 WeakPolarHBondContact O-CB 3.35Å; V111-S364 PolarHBondContact O-OG 3.37Å; V111-V408 HydrophobicContact CB-CG1 4.45Å; V111-V408 HydrophobicContact CG1-CB 4.14Å; V111-V408 HydrophobicContact CG1-CG1 3.98Å; V111-V408 WeakPolarHBondContact CG1-O 3.26Å; V111-V408 HydrophobicContact CG2-CG1 3.83Å; V111-F410 HydrophobicContact CG2-CB 4.1Å; V111-F440 HydrophobicContact CG2-CZ 4.19Å; V111-L452 HydrophobicContact CG2-CD2 3.93Å; V111-L453 CarbonylContact C-O 3.55Å; V111-L453 WeakPolarHBondContact CA-O 3.44Å
112	F	97.7	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138	-177.3	-179.9	-94.5	0	0	0	109.1	M99 Y100 F103 P114 T117 I366 L371 L452 L453	M99-F112 HydrophobicContact CB-CE1 3.96Å; M99-F112 HydrophobicContact CB-CE2 4.18Å; M99-F112 HydrophobicContact CB-CZ 3.46Å; M99-F112 VanDerWaalsContact CB-CZ 3.46Å; M99-F112 HydrophobicContact CE-CE1 4.27Å; M99-F112 HydrophobicContact CE-CZ 3.94Å; M99-F112 HydrophobicContact CG-CZ 4.44Å; M99-F112 HydrophobicContact SD-CZ 4.3Å; Y100-F112 HydrophobicContact CD2-CB 3.77Å; Y100-F112 HydrophobicContact CD2-CG 4.39Å; F103-F112 HydrophobicContact CD1-CB 4.35Å; F103-F112 HydrophobicContact CD1-CD2 4.08Å; F112-P114 HydrophobicContact CD1-CG 4.05Å; F112-P114 HydrophobicContact CE1-CB 4.36Å; F112-P114 HydrophobicContact CE1-CG 4Å; F112-T117 HydrophobicContact CE2-CG2 4.27Å; F112-T117 WeakPolarHBondContact CE2-OG1 3.27Å; F112-T117 HydrophobicContact CZ-CG2 3.99Å; F112-T117 VanDerWaalsContact CZ-OG1 3.28Å; F112-T117 WeakPolarHBondContact CZ-OG1 3.38Å; F112-I366 HydrophobicContact CD2-CD1 3.54Å; F112-I366 HydrophobicContact CD2-CG1 4.47Å; F112-I366 HydrophobicContact CE2-CD1 3.95Å; F112-L371 HydrophobicContact CE2-CD2 4.1Å; F112-L452 CarbonylContact O-C 3.58Å; F112-L452 WeakPolarHBondContact O-CA 3.34Å; F112-L453 HydrophobicContact CD1-CD1 4.34Å; F112-L453 PolarHBondContact N-O 2.89Å; F112-L453 PolarHBondContact O-N 3.43Å
113	S	98.1	Very high	93.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.122	C	C	.	.			trans	-110.6	110.2	173.8	176.6	0	0	0	0	109.5	V115 N116 T117 L451	S113-V115 VanDerWaalsContact C-N 3.31Å; S113-N116 PolarHBondContact O-N 3.41Å; S113-N116 WeakPolarHBondContact OG-CB 3.32Å; S113-N116 PolarHBondContact OG-N 3.23Å; S113-N116 VanDerWaalsContact OG-N 3.09Å; S113-T117 PolarHBondContact O-N 2.95Å; S113-T117 VanDerWaalsContact O-N 3.07Å; S113-T117 PolarHBondContact O-OG1 2.91Å; S113-L451 WeakPolarHBondContact CA-O 3.11Å; S113-L451 WeakPolarHBondContact CB-O 3.46Å; S113-L451 PolarHBondContact OG-O 2.8Å; S113-L451 VanDerWaalsContact OG-O 3.05Å
114	P	97.3	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.7	-46.7	169.9	-29	38.8	0	0	0	112.1	L92 F112 N116 T117 Y118 I450 L451 L453	L92-P114 HydrophobicContact CD1-CB 3.85Å; L92-P114 WeakPolarHBondContact CD1-O 3.37Å; L92-P114 HydrophobicContact CG-CB 4.07Å; F112-P114 HydrophobicContact CD1-CG 4.05Å; F112-P114 HydrophobicContact CE1-CB 4.36Å; F112-P114 HydrophobicContact CE1-CG 4Å; P114-N116 PolarHBondContact O-N 2.81Å; P114-T117 PolarHBondContact O-N 3Å; P114-Y118 VanDerWaalsContact O-CB 3.28Å; P114-Y118 WeakPolarHBondContact O-CB 3.46Å; P114-Y118 PolarHBondContact O-N 3.4Å; P114-I450 HydrophobicContact CG-CB 4.39Å; P114-I450 HydrophobicContact CG-CG2 3.94Å; P114-L451 WeakPolarHBondContact CD-O 3.31Å; P114-L453 HydrophobicContact CG-CD1 3.76Å; P114-L453 HydrophobicContact CG-CG 4.2Å
115	V	96.4	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.7	-49.7	-179.9	178.9	0	0	0	0	110.4	L92 S113 T117 Y118 G119 L164 F204 L451	L92-V115 HydrophobicContact CD2-CG2 3.63Å; S113-V115 VanDerWaalsContact C-N 3.31Å; V115-T117 PolarHBondContact O-N 3.05Å; V115-Y118 PolarHBondContact O-N 2.96Å; V115-G119 PolarHBondContact O-N 3.49Å; V115-L164 HydrophobicContact CG1-CB 4.24Å; V115-L164 HydrophobicContact CG1-CD2 4.11Å; V115-F204 HydrophobicContact CG1-CE2 4.44Å; V115-L451 HydrophobicContact CG2-CD2 3.84Å
116	N	97.6	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-43.9	-179.5	-165.4	32.3	0	0	0	112.9	S113 P114 G119 S120 S254 F256 N407	S113-N116 PolarHBondContact O-N 3.41Å; S113-N116 WeakPolarHBondContact OG-CB 3.32Å; S113-N116 PolarHBondContact OG-N 3.23Å; S113-N116 VanDerWaalsContact OG-N 3.09Å; P114-N116 PolarHBondContact O-N 2.81Å; N116-G119 PolarHBondContact O-N 2.69Å; N116-S120 PolarHBondContact O-N 2.95Å; N116-S120 PolarHBondContact O-OG 2.72Å; N116-S254 PolarHBondContact ND2-O 2.78Å; N116-S254 VanDerWaalsContact ND2-O 3.1Å; N116-S254 WeakPolarHBondContact OD1-CB 3.36Å; N116-S254 PolarHBondContact OD1-OG 2.76Å; N116-F256 HydrophobicContact CB-CB 3.64Å; N116-F256 HydrophobicContact CB-CD2 4.33Å; N116-F256 HydrophobicContact CB-CG 4.2Å; N116-N407 PolarHBondContact ND2-O 2.99Å
117	T	98.2	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70.1	-37.5	-178.9	-50.1	0	0	0	0	112.9	M99 F112 S113 P114 V115 L121 L371 N406	M99-T117 HydrophobicContact CE-CG2 4Å; M99-T117 HydrophobicContact SD-CG2 3.6Å; F112-T117 HydrophobicContact CE2-CG2 4.27Å; F112-T117 WeakPolarHBondContact CE2-OG1 3.27Å; F112-T117 HydrophobicContact CZ-CG2 3.99Å; F112-T117 VanDerWaalsContact CZ-OG1 3.28Å; F112-T117 WeakPolarHBondContact CZ-OG1 3.38Å; S113-T117 PolarHBondContact O-N 2.95Å; S113-T117 VanDerWaalsContact O-N 3.07Å; S113-T117 PolarHBondContact O-OG1 2.91Å; P114-T117 PolarHBondContact O-N 3Å; V115-T117 PolarHBondContact O-N 3.05Å; T117-L121 HydrophobicContact CG2-CD1 4.34Å; T117-L121 WeakPolarHBondContact O-CD1 3.31Å; T117-L121 WeakPolarHBondContact O-CG 3.2Å; T117-L121 PolarHBondContact O-N 3.02Å; T117-L121 VanDerWaalsContact O-N 3.16Å; T117-L371 HydrophobicContact CG2-CD2 3.98Å; T117-N406 WeakPolarHBondContact CA-ND2 3.34Å; T117-N406 WeakPolarHBondContact CB-ND2 3.4Å; T117-N406 PolarHBondContact OG1-ND2 3.39Å; T117-N406 VanDerWaalsContact OG1-ND2 3.11Å
118	Y	97.8	Very high	95.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.8	-44.2	173.3	-157.9	-73.6	0	0	0	111.2	L88 L92 L95 P114 V115 L121 V122 L140 I160 L164	L88-Y118 HydrophobicContact CD1-CE1 3.84Å; L92-Y118 HydrophobicContact CD1-CD2 3.7Å; L92-Y118 HydrophobicContact CD1-CG 3.79Å; L95-Y118 HydrophobicContact CD2-CD2 3.96Å; L95-Y118 HydrophobicContact CD2-CE2 3.88Å; P114-Y118 VanDerWaalsContact O-CB 3.28Å; P114-Y118 WeakPolarHBondContact O-CB 3.46Å; P114-Y118 PolarHBondContact O-N 3.4Å; V115-Y118 PolarHBondContact O-N 2.96Å; Y118-L121 PolarHBondContact O-N 3.3Å; Y118-V122 HydrophobicContact CD1-CG2 3.67Å; Y118-V122 HydrophobicContact CE1-CG2 3.62Å; Y118-V122 VanDerWaalsContact O-CG2 3.3Å; Y118-V122 WeakPolarHBondContact O-CG2 3.35Å; Y118-V122 PolarHBondContact O-N 2.88Å; Y118-L140 HydrophobicContact CD1-CD2 4.08Å; Y118-L140 HydrophobicContact CD2-CD2 3.91Å; Y118-L140 HydrophobicContact CE1-CD2 3.88Å; Y118-L140 HydrophobicContact CE2-CB 4.38Å; Y118-L140 HydrophobicContact CE2-CD2 3.7Å; Y118-L140 HydrophobicContact CG-CD2 4.11Å; Y118-L140 PolarHBondContact OH-O 3.35Å; Y118-L140 VanDerWaalsContact OH-O 3.14Å; Y118-I160 HydrophobicContact CD1-CG2 4.36Å; Y118-I160 HydrophobicContact CE1-CG2 3.86Å; Y118-L164 HydrophobicContact CD1-CD1 4.1Å; Y118-L164 HydrophobicContact CD1-CD2 4.44Å
119	G	97.3	Very high	96.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-59	-48.3	176.8	0	0	0	0	0	113.2	V115 N116 L121 V122 A123 L161 L164	V115-G119 PolarHBondContact O-N 3.49Å; N116-G119 PolarHBondContact O-N 2.69Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.27Å; G119-V122 PolarHBondContact O-N 2.96Å; G119-V122 VanDerWaalsContact O-N 3.17Å; G119-A123 PolarHBondContact O-N 2.95Å; G119-L161 WeakPolarHBondContact O-CD2 3.35Å; G119-L164 VanDerWaalsContact CA-CD1 3.48Å
120	S	98.1	Very high	95.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.7	-43	175.5	-60.1	0	0	0	0	112.4	N116 V122 A123 F124 S254 N406	N116-S120 PolarHBondContact O-N 2.95Å; N116-S120 PolarHBondContact O-OG 2.72Å; S120-V122 PolarHBondContact O-N 2.89Å; S120-A123 PolarHBondContact O-N 3.5Å; S120-F124 WeakPolarHBondContact O-CD2 3.29Å; S120-F124 WeakPolarHBondContact O-CG 3.45Å; S120-F124 PolarHBondContact O-N 2.85Å; S120-S254 VanDerWaalsContact OG-CB 3.32Å; S120-S254 WeakPolarHBondContact OG-CB 3.5Å; S120-N406 PolarHBondContact OG-OD1 2.94Å
121	L	98.1	Very high	95.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.6	-37.8	177.9	-67.6	166.7	0	0	0	112.5	M99 T117 Y118 G119 F124 Y125 F136 F139 L140 I368 L372	M99-L121 HydrophobicContact SD-CD1 4.1Å; T117-L121 HydrophobicContact CG2-CD1 4.34Å; T117-L121 WeakPolarHBondContact O-CD1 3.31Å; T117-L121 WeakPolarHBondContact O-CG 3.2Å; T117-L121 PolarHBondContact O-N 3.02Å; T117-L121 VanDerWaalsContact O-N 3.16Å; Y118-L121 PolarHBondContact O-N 3.3Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.27Å; L121-F124 PolarHBondContact O-N 2.85Å; L121-Y125 PolarHBondContact O-N 3.41Å; L121-F136 HydrophobicContact CB-CD1 4.46Å; L121-F136 HydrophobicContact CB-CE1 4.4Å; L121-F136 HydrophobicContact CD2-CD1 4.5Å; L121-F136 HydrophobicContact CD2-CE1 3.91Å; L121-F139 HydrophobicContact CD1-CD1 4.12Å; L121-F139 HydrophobicContact CD1-CE1 3.62Å; L121-L140 HydrophobicContact CB-CD2 3.99Å; L121-L140 HydrophobicContact CD1-CD2 4.14Å; L121-I368 HydrophobicContact CD2-CG2 3.96Å; L121-L372 HydrophobicContact CD2-CD1 4.21Å
122	V	97.1	Very high	95.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.4	-35.5	175.6	177.1	0	0	0	0	111.2	Y118 G119 S120 F124 Y125 L126 L140 I160 L161	Y118-V122 HydrophobicContact CD1-CG2 3.67Å; Y118-V122 HydrophobicContact CE1-CG2 3.62Å; Y118-V122 VanDerWaalsContact O-CG2 3.3Å; Y118-V122 WeakPolarHBondContact O-CG2 3.35Å; Y118-V122 PolarHBondContact O-N 2.88Å; G119-V122 PolarHBondContact O-N 2.96Å; G119-V122 VanDerWaalsContact O-N 3.17Å; S120-V122 PolarHBondContact O-N 2.89Å; V122-F124 VanDerWaalsContact C-N 3.35Å; V122-F124 PolarHBondContact O-N 2.72Å; V122-Y125 VanDerWaalsContact O-CB 3.31Å; V122-Y125 WeakPolarHBondContact O-CB 3.27Å; V122-Y125 PolarHBondContact O-N 3.03Å; V122-L126 PolarHBondContact O-N 3.5Å; V122-L126 VanDerWaalsContact O-N 3.14Å; V122-L140 HydrophobicContact CG2-CD1 3.8Å; V122-L140 HydrophobicContact CG2-CD2 4.45Å; V122-I160 HydrophobicContact CG1-CB 4.2Å; V122-I160 HydrophobicContact CG1-CG2 4.19Å; V122-I160 HydrophobicContact CG2-CG2 3.84Å; V122-L161 HydrophobicContact CB-CD2 3.87Å; V122-L161 HydrophobicContact CB-CG 4.27Å; V122-L161 HydrophobicContact CG1-CD1 4.06Å; V122-L161 HydrophobicContact CG1-CD2 3.83Å; V122-L161 HydrophobicContact CG1-CG 3.64Å
123	A	96.4	Very high	95.1	Very high	2 Å²	2	17 Å²	17	2%	0.017	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-42.8	172.7	0	0	0	0	0	111.4	G119 S120 Y125 L126 F197	G119-A123 PolarHBondContact O-N 2.95Å; S120-A123 PolarHBondContact O-N 3.5Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.25Å; A123-L126 PolarHBondContact O-N 3.1Å; A123-F197 HydrophobicContact CB-CE2 4.36Å; A123-F197 WeakPolarHBondContact O-CD2 3.31Å
124	F	97.2	Very high	94.7	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-35.7	173.3	-65.9	-53	0	0	0	112.9	S120 L121 V122 L126 G127 A128 F136 F250 F252 I368 L384 F390 V401 A404	S120-F124 WeakPolarHBondContact O-CD2 3.29Å; S120-F124 WeakPolarHBondContact O-CG 3.45Å; S120-F124 PolarHBondContact O-N 2.85Å; L121-F124 PolarHBondContact O-N 2.85Å; V122-F124 VanDerWaalsContact C-N 3.35Å; V122-F124 PolarHBondContact O-N 2.72Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 3.4Å; F124-G127 CarbonylContact O-C 3.6Å; F124-G127 PolarHBondContact O-N 3.44Å; F124-G127 VanDerWaalsContact O-N 3.07Å; F124-A128 WeakPolarHBondContact O-CB 3.41Å; F124-A128 PolarHBondContact O-N 3.43Å; F124-A128 VanDerWaalsContact O-N 3.1Å; F124-F136 HydrophobicContact CB-CE1 4.07Å; F124-F136 HydrophobicContact CB-CE2 4.15Å; F124-F136 HydrophobicContact CB-CZ 3.58Å; F124-F250 HydrophobicContact CE1-CE1 4.33Å; F124-F252 HydrophobicContact CE1-CB 4.03Å; F124-F252 HydrophobicContact CE1-CD1 4.3Å; F124-F252 HydrophobicContact CE1-CD2 4.37Å; F124-F252 AromaticContact CE1-CG 3.98Å; F124-F252 HydrophobicContact CE1-CG 3.98Å; F124-F252 HydrophobicContact CE2-CD1 4.19Å; F124-F252 HydrophobicContact CE2-CE1 4.49Å; F124-F252 HydrophobicContact CZ-CB 3.83Å; F124-F252 AromaticContact CZ-CD1 3.53Å; F124-F252 HydrophobicContact CZ-CD1 3.53Å; F124-F252 HydrophobicContact CZ-CD2 4.37Å; F124-F252 HydrophobicContact CZ-CE1 4.17Å; F124-F252 AromaticContact CZ-CG 3.65Å; F124-F252 HydrophobicContact CZ-CG 3.65Å; F124-I368 HydrophobicContact CE2-CD1 4.04Å; F124-L384 HydrophobicContact CB-CD2 4.39Å; F124-L384 HydrophobicContact CD1-CD2 4.29Å; F124-L384 HydrophobicContact CD2-CD2 3.8Å; F124-L384 HydrophobicContact CE2-CD1 4.44Å; F124-L384 HydrophobicContact CE2-CD2 4.11Å; F124-L384 HydrophobicContact CG-CD2 3.91Å; F124-L384 HydrophobicContact CZ-CD2 4.49Å; F124-F390 HydrophobicContact CB-CE1 4.1Å; F124-V401 HydrophobicContact CD1-CG2 4.09Å; F124-V401 HydrophobicContact CE1-CG1 3.8Å; F124-V401 HydrophobicContact CE1-CG2 4.06Å; F124-V401 HydrophobicContact CZ-CG1 4.13Å; F124-A404 HydrophobicContact CE2-CB 3.85Å; F124-A404 HydrophobicContact CZ-CB 3.53Å
125	Y	95.8	Very high	94.5	Very high	18 Å²	18	23.2 Å²	23.2	7%	0.071	11%	0.107	C	C	.	.	H	α-helix	trans	-56.8	-40.6	173.2	160.4	-97.1	0	0	0	112.5	L121 V122 A123 G127 A128 A133 F136 Q137 V155	L121-Y125 PolarHBondContact O-N 3.41Å; V122-Y125 VanDerWaalsContact O-CB 3.31Å; V122-Y125 WeakPolarHBondContact O-CB 3.27Å; V122-Y125 PolarHBondContact O-N 3.03Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.25Å; Y125-G127 PolarHBondContact O-N 3.14Å; Y125-A128 WeakPolarHBondContact O-CB 3.44Å; Y125-A128 PolarHBondContact O-N 3.25Å; Y125-A128 VanDerWaalsContact O-N 3.17Å; Y125-A133 HydrophobicContact CD2-CB 3.85Å; Y125-A133 WeakPolarHBondContact CD2-O 3.48Å; Y125-A133 HydrophobicContact CE2-CB 3.76Å; Y125-F136 HydrophobicContact CD2-CB 3.93Å; Y125-F136 HydrophobicContact CG-CB 4.39Å; Y125-Q137 HydrophobicContact CD2-CG 4.21Å; Y125-Q137 HydrophobicContact CE2-CG 3.61Å; Y125-Q137 PolarHBondContact OH-NE2 3.14Å; Y125-V155 WeakPolarHBondContact CE1-O 3.21Å; Y125-V155 PolarHBondContact OH-N 2.89Å; Y125-V155 PolarHBondContact OH-O 2.86Å
126	L	93.9	Very high	94.4	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.068	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-31.9	175.7	-67.9	176.6	0	0	0	112.8	V122 A123 F124 L161	V122-L126 PolarHBondContact O-N 3.5Å; V122-L126 VanDerWaalsContact O-N 3.14Å; A123-L126 PolarHBondContact O-N 3.1Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 3.4Å; L126-L161 HydrophobicContact CD1-CD1 3.55Å
127	G	93.8	Very high	94.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-85.7	-8.3	177.3	0	0	0	0	0	115	F124 Y125 F390 R392 L393	F124-G127 CarbonylContact O-C 3.6Å; F124-G127 PolarHBondContact O-N 3.44Å; F124-G127 VanDerWaalsContact O-N 3.07Å; Y125-G127 PolarHBondContact O-N 3.14Å; G127-F390 CarbonylContact O-C 3.31Å; G127-F390 WeakPolarHBondContact O-CA 3.4Å; G127-R392 CarbonylContact O-C 3.57Å; G127-R392 WeakPolarHBondContact O-CA 3.28Å; G127-R392 WeakPolarHBondContact O-CB 3.5Å; G127-R392 PolarHBondContact O-N 3.4Å; G127-R392 VanDerWaalsContact O-N 3.09Å; G127-L393 PolarHBondContact O-N 2.97Å
128	A	93.6	Very high	93.8	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	-80.3	149.8	-169.3	0	0	0	0	0	113.5	F124 Y125 T132 A133 F136 F390 R392	F124-A128 WeakPolarHBondContact O-CB 3.41Å; F124-A128 PolarHBondContact O-N 3.43Å; F124-A128 VanDerWaalsContact O-N 3.1Å; Y125-A128 WeakPolarHBondContact O-CB 3.44Å; Y125-A128 PolarHBondContact O-N 3.25Å; Y125-A128 VanDerWaalsContact O-N 3.17Å; A128-T132 HydrophobicContact CB-CG2 3.96Å; A128-A133 HydrophobicContact CB-CB 3.99Å; A128-F136 HydrophobicContact CB-CD2 4.06Å; A128-F136 HydrophobicContact CB-CE2 4.15Å; A128-F390 HydrophobicContact CB-CD1 4.48Å; A128-F390 HydrophobicContact CB-CE1 4.4Å; A128-R392 WeakPolarHBondContact O-CB 3.19Å; A128-R392 WeakPolarHBondContact O-CG 3.47Å
129	S	90.6	Very high	93.6	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	14%	0.139	C	C	.	.			trans	-65	162.4	166.9	87.8	0	0	0	0	110.3	K131 T132 A133 E389 S391	S129-K131 PolarHBondContact O-N 3.29Å; S129-K131 VanDerWaalsContact O-N 3.1Å; S129-T132 PolarHBondContact O-N 3.33Å; S129-T132 VanDerWaalsContact O-N 3.12Å; S129-T132 PolarHBondContact OG-OG1 3.5Å; S129-A133 WeakPolarHBondContact O-CB 3.11Å; S129-A133 PolarHBondContact O-N 3.29Å; S129-E389 WeakPolarHBondContact CB-O 3.43Å; S129-E389 PolarHBondContact N-O 2.98Å; S129-E389 WeakPolarHBondContact OG-CB 3.19Å; S129-E389 PolarHBondContact OG-OE2 3.11Å; S129-S391 WeakPolarHBondContact CB-OG 3.36Å
130	K	86.7	Confident	93.4	Very high	170 Å²	170	30.3 Å²	30.3	74%	0.739	14%	0.14	S	C	*	.	H	α-helix	trans	-51.8	-39.6	-179.5	-70.2	-175.2	177.4	-176.8	0	113.1	R134	K130-R134 PolarHBondContact O-N 3.11Å
131	K	89.8	Confident	93.1	Very high	127 Å²	127	31.9 Å²	31.9	55%	0.552	16%	0.156	S	C	*	.	H	α-helix	trans	-67.9	-51.2	179.5	-178.5	-173.2	173	-166	0	111	S129 A133 R134 S135	S129-K131 PolarHBondContact O-N 3.29Å; S129-K131 VanDerWaalsContact O-N 3.1Å; K131-A133 VanDerWaalsContact C-N 3.35Å; K131-R134 PolarHBondContact O-N 2.91Å; K131-S135 PolarHBondContact O-N 3.2Å; K131-S135 PolarHBondContact O-OG 3.3Å
132	T	93.1	Very high	92.5	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-39.1	-179.6	-48.8	0	0	0	0	111.5	A128 S129 R134 S135 F136 A388 E389	A128-T132 HydrophobicContact CB-CG2 3.96Å; S129-T132 PolarHBondContact O-N 3.33Å; S129-T132 VanDerWaalsContact O-N 3.12Å; S129-T132 PolarHBondContact OG-OG1 3.5Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.48Å; T132-S135 WeakPolarHBondContact O-CB 3.27Å; T132-S135 PolarHBondContact O-N 2.97Å; T132-S135 VanDerWaalsContact O-N 3.14Å; T132-F136 HydrophobicContact CG2-CD2 4.09Å; T132-F136 HydrophobicContact CG2-CE2 3.79Å; T132-F136 WeakPolarHBondContact O-CD2 3.48Å; T132-F136 PolarHBondContact O-N 2.88Å; T132-A388 HydrophobicContact CG2-CB 4.01Å; T132-E389 PolarHBondContact OG1-N 3.24Å; T132-E389 PolarHBondContact OG1-O 3.42Å
133	A	91.4	Very high	91.4	Very high	13 Å²	13	33.8 Å²	33.8	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-38.2	177.3	0	0	0	0	0	112.3	Y125 A128 S129 K131 F136 Q137	Y125-A133 HydrophobicContact CD2-CB 3.85Å; Y125-A133 WeakPolarHBondContact CD2-O 3.48Å; Y125-A133 HydrophobicContact CE2-CB 3.76Å; A128-A133 HydrophobicContact CB-CB 3.99Å; S129-A133 WeakPolarHBondContact O-CB 3.11Å; S129-A133 PolarHBondContact O-N 3.29Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-F136 WeakPolarHBondContact O-CB 3.43Å; A133-F136 PolarHBondContact O-N 3.22Å; A133-Q137 WeakPolarHBondContact O-CG 3.44Å; A133-Q137 PolarHBondContact O-N 3.43Å
134	R	89.2	Confident	89.6	Confident	99 Å²	99	35 Å²	35	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-45.4	173.2	-176	-177.4	-68.3	151.1	-8.7	111.6	K130 K131 T132 F136 Q137 E138 E149	K130-R134 PolarHBondContact O-N 3.11Å; K131-R134 PolarHBondContact O-N 2.91Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.48Å; R134-F136 VanDerWaalsContact C-N 3.26Å; R134-F136 PolarHBondContact O-N 3.35Å; R134-Q137 PolarHBondContact O-N 3.3Å; R134-Q137 VanDerWaalsContact O-N 3.13Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 3.5Å; R134-E149 PolarHBondContact NH2-O 2.96Å
135	S	93.1	Very high	87.5	Confident	31 Å²	31	39.4 Å²	39.4	22%	0.217	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-39.4	175.8	-54.2	0	0	0	0	111.8	K131 T132 F139 L383	K131-S135 PolarHBondContact O-N 3.2Å; K131-S135 PolarHBondContact O-OG 3.3Å; T132-S135 WeakPolarHBondContact O-CB 3.27Å; T132-S135 PolarHBondContact O-N 2.97Å; T132-S135 VanDerWaalsContact O-N 3.14Å; S135-F139 WeakPolarHBondContact O-CB 3.3Å; S135-F139 PolarHBondContact O-N 3.49Å; S135-L383 VanDerWaalsContact C-CD2 3.47Å
136	F	94.6	Very high	85.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-47.4	173.6	-84.1	-69.7	0	0	0	111.8	L121 F124 Y125 A128 T132 A133 R134 E138 F139 L140 L383 L384 F390	L121-F136 HydrophobicContact CB-CD1 4.46Å; L121-F136 HydrophobicContact CB-CE1 4.4Å; L121-F136 HydrophobicContact CD2-CD1 4.5Å; L121-F136 HydrophobicContact CD2-CE1 3.91Å; F124-F136 HydrophobicContact CB-CE1 4.07Å; F124-F136 HydrophobicContact CB-CE2 4.15Å; F124-F136 HydrophobicContact CB-CZ 3.58Å; Y125-F136 HydrophobicContact CD2-CB 3.93Å; Y125-F136 HydrophobicContact CG-CB 4.39Å; A128-F136 HydrophobicContact CB-CD2 4.06Å; A128-F136 HydrophobicContact CB-CE2 4.15Å; T132-F136 HydrophobicContact CG2-CD2 4.09Å; T132-F136 HydrophobicContact CG2-CE2 3.79Å; T132-F136 WeakPolarHBondContact O-CD2 3.48Å; T132-F136 PolarHBondContact O-N 2.88Å; A133-F136 WeakPolarHBondContact O-CB 3.43Å; A133-F136 PolarHBondContact O-N 3.22Å; R134-F136 VanDerWaalsContact C-N 3.26Å; R134-F136 PolarHBondContact O-N 3.35Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.49Å; F136-F139 PolarHBondContact O-N 2.98Å; F136-L140 HydrophobicContact CB-CD1 4.41Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 WeakPolarHBondContact O-CD1 3.46Å; F136-L140 WeakPolarHBondContact O-CG 3.35Å; F136-L140 PolarHBondContact O-N 3.42Å; F136-L383 HydrophobicContact CB-CD2 4.38Å; F136-L383 HydrophobicContact CD1-CD2 3.84Å; F136-L383 HydrophobicContact CD2-CD2 4.12Å; F136-L383 HydrophobicContact CE1-CB 4.12Å; F136-L383 HydrophobicContact CE1-CD2 4.09Å; F136-L383 HydrophobicContact CE2-CD2 4.36Å; F136-L383 HydrophobicContact CG-CD2 3.84Å; F136-L383 HydrophobicContact CZ-CB 4.07Å; F136-L383 HydrophobicContact CZ-CD2 4.33Å; F136-L383 VanDerWaalsContact CZ-O 3.27Å; F136-L383 WeakPolarHBondContact CZ-O 3.45Å; F136-L384 HydrophobicContact CZ-CD2 4.28Å; F136-F390 HydrophobicContact CE2-CE1 4.23Å; F136-F390 HydrophobicContact CE2-CZ 4.39Å
137	Q	90.9	Very high	83.4	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.8	-71.6	172.3	-14.9	0	0	112.3	Y125 A133 R134 L140 G141 L142 V155	Y125-Q137 HydrophobicContact CD2-CG 4.21Å; Y125-Q137 HydrophobicContact CE2-CG 3.61Å; Y125-Q137 PolarHBondContact OH-NE2 3.14Å; A133-Q137 WeakPolarHBondContact O-CG 3.44Å; A133-Q137 PolarHBondContact O-N 3.43Å; R134-Q137 PolarHBondContact O-N 3.3Å; R134-Q137 VanDerWaalsContact O-N 3.13Å; Q137-L140 PolarHBondContact O-N 2.87Å; Q137-G141 PolarHBondContact O-N 3.27Å; Q137-L142 HydrophobicContact CB-CB 4.32Å; Q137-L142 PolarHBondContact O-N 3.31Å; Q137-V155 HydrophobicContact CG-CG2 4.17Å
138	E	90.9	Very high	81.4	Confident	120 Å²	120	56 Å²	56	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-61.2	-46.9	176.7	-72.6	174.3	-169.3	0	0	110.9	R134 F136 L140 G141 S143	R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 3.5Å; F136-E138 VanDerWaalsContact C-N 3.33Å; F136-E138 PolarHBondContact O-N 3.49Å; E138-L140 PolarHBondContact O-N 3.17Å; E138-G141 PolarHBondContact O-N 3.16Å; E138-S143 VanDerWaalsContact CA-OG 3.32Å; E138-S143 WeakPolarHBondContact CA-OG 3.38Å; E138-S143 WeakPolarHBondContact CG-OG 3.4Å; E138-S143 PolarHBondContact N-OG 2.85Å
139	F	94.4	Very high	79.2	Confident	23 Å²	23	63.6 Å²	63.6	10%	0.101	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-40.8	179.5	-179.3	-106.8	0	0	0	112.8	L95 M99 L121 S135 F136 G141 L372 M375 L379 L383	L95-F139 HydrophobicContact CD1-CE1 4.07Å; L95-F139 HydrophobicContact CD1-CE2 4.03Å; L95-F139 HydrophobicContact CD1-CZ 3.74Å; L95-F139 HydrophobicContact CD2-CD1 4.47Å; L95-F139 HydrophobicContact CD2-CE1 4.23Å; M99-F139 HydrophobicContact CG-CZ 4.43Å; M99-F139 HydrophobicContact SD-CE1 4.35Å; M99-F139 HydrophobicContact SD-CZ 4.37Å; L121-F139 HydrophobicContact CD1-CD1 4.12Å; L121-F139 HydrophobicContact CD1-CE1 3.62Å; S135-F139 WeakPolarHBondContact O-CB 3.3Å; S135-F139 PolarHBondContact O-N 3.49Å; F136-F139 PolarHBondContact O-N 2.98Å; F139-G141 PolarHBondContact O-N 3.05Å; F139-L372 HydrophobicContact CD1-CD2 4.41Å; F139-L372 HydrophobicContact CE1-CD2 3.68Å; F139-L372 HydrophobicContact CE2-CD2 4.1Å; F139-L372 HydrophobicContact CZ-CD2 3.49Å; F139-L372 VanDerWaalsContact CZ-CD2 3.49Å; F139-M375 HydrophobicContact CE2-CE 3.91Å; F139-M375 HydrophobicContact CE2-SD 4.27Å; F139-M375 HydrophobicContact CZ-CE 4.02Å; F139-M375 HydrophobicContact CZ-SD 3.99Å; F139-L379 HydrophobicContact CD2-CD1 3.83Å; F139-L379 HydrophobicContact CD2-CD2 3.89Å; F139-L379 HydrophobicContact CD2-CG 4.49Å; F139-L379 HydrophobicContact CE2-CD1 3.6Å; F139-L379 HydrophobicContact CE2-CD2 4.49Å; F139-L383 HydrophobicContact CB-CD1 4.08Å; F139-L383 HydrophobicContact CD1-CD1 4.1Å; F139-L383 HydrophobicContact CD2-CD1 4.41Å; F139-L383 HydrophobicContact CG-CD1 3.92Å
140	L	93.8	Very high	77.1	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.016	37%	0.365	C	S	.	.	H	α-helix	trans	-74.8	-8.2	178.6	-66.8	168.7	0	0	0	112.7	L95 Y118 L121 V122 F136 Q137 E138 L142	L95-L140 HydrophobicContact CD2-CD2 4.16Å; Y118-L140 HydrophobicContact CD1-CD2 4.08Å; Y118-L140 HydrophobicContact CD2-CD2 3.91Å; Y118-L140 HydrophobicContact CE1-CD2 3.88Å; Y118-L140 HydrophobicContact CE2-CB 4.38Å; Y118-L140 HydrophobicContact CE2-CD2 3.7Å; Y118-L140 HydrophobicContact CG-CD2 4.11Å; Y118-L140 PolarHBondContact OH-O 3.35Å; Y118-L140 VanDerWaalsContact OH-O 3.14Å; L121-L140 HydrophobicContact CB-CD2 3.99Å; L121-L140 HydrophobicContact CD1-CD2 4.14Å; V122-L140 HydrophobicContact CG2-CD1 3.8Å; V122-L140 HydrophobicContact CG2-CD2 4.45Å; F136-L140 HydrophobicContact CB-CD1 4.41Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 WeakPolarHBondContact O-CD1 3.46Å; F136-L140 WeakPolarHBondContact O-CG 3.35Å; F136-L140 PolarHBondContact O-N 3.42Å; Q137-L140 PolarHBondContact O-N 2.87Å; E138-L140 PolarHBondContact O-N 3.17Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 HydrophobicContact CB-CD1 3.56Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD1 3.84Å; L140-L142 HydrophobicContact CG-CD1 4.34Å
141	G	89.9	Confident	75.4	Confident	32 Å²	32	61.7 Å²	61.7	33%	0.33	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	27.2	-178.1	0	0	0	0	0	113.2	F30 L91 Q137 E138 F139	F30-G141 WeakPolarHBondContact CE1-O 3.43Å; F30-G141 WeakPolarHBondContact CZ-O 3.43Å; L91-G141 WeakPolarHBondContact CD2-O 3Å; Q137-G141 PolarHBondContact O-N 3.27Å; E138-G141 PolarHBondContact O-N 3.16Å; F139-G141 PolarHBondContact O-N 3.05Å
142	L	85.3	Confident	73.5	Confident	4 Å²	4	57 Å²	57	2%	0.021	32%	0.318	C	S	.	.			trans	-96.6	-0.8	-178.9	-63.4	163.5	0	0	0	113	L91 Q137 L140 V155 I160	L91-L142 HydrophobicContact CD1-CD2 3.68Å; Q137-L142 HydrophobicContact CB-CB 4.32Å; Q137-L142 PolarHBondContact O-N 3.31Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 HydrophobicContact CB-CD1 3.56Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD1 3.84Å; L140-L142 HydrophobicContact CG-CD1 4.34Å; L142-V155 HydrophobicContact CB-CG2 4.01Å; L142-V155 HydrophobicContact CD1-CG1 4.14Å; L142-V155 HydrophobicContact CD2-CG1 4.44Å; L142-I160 HydrophobicContact CD1-CD1 3.55Å; L142-I160 HydrophobicContact CD2-CD1 3.85Å; L142-I160 HydrophobicContact CG-CD1 4.37Å
143	S	74	Confident	71.7	Confident	37 Å²	37	59.1 Å²	59.1	26%	0.259	33%	0.333	S	S	.	.			trans	-81.2	135.1	177.5	-54.8	0	0	0	0	111.5	F30 E138	F30-S143 WeakPolarHBondContact CE2-O 3.5Å; E138-S143 VanDerWaalsContact CA-OG 3.32Å; E138-S143 WeakPolarHBondContact CA-OG 3.38Å; E138-S143 WeakPolarHBondContact CG-OG 3.4Å; E138-S143 PolarHBondContact N-OG 2.85Å
144	S	59.5	Low	70.6	Confident	26 Å²	26	62.2 Å²	62.2	18%	0.182	35%	0.347	C	S	.	.			trans	-83.6	126.9	166.4	109.1	0	0	0	0	107.6	T146 D147	S144-T146 PolarHBondContact O-N 3.47Å; S144-T146 PolarHBondContact OG-N 2.82Å; S144-T146 PolarHBondContact OG-OG1 3.31Å; S144-D147 VanDerWaalsContact CB-OD1 3.3Å; S144-D147 WeakPolarHBondContact CB-OD1 3.33Å; S144-D147 PolarHBondContact N-OD2 3.01Å; S144-D147 VanDerWaalsContact N-OD2 3.12Å; S144-D147 WeakPolarHBondContact O-CB 3.47Å; S144-D147 PolarHBondContact O-N 3.16Å; S144-D147 PolarHBondContact OG-N 2.94Å; S144-D147 PolarHBondContact OG-OD1 3.33Å
145	G	53.2	Low	70.3	Confident	95 Å²	95	57.9 Å²	57.9	98%	0.979	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	4.8	174.6	0	0	0	0	0	114.5
146	T	51.6	Low	70.1	Confident	125 Å²	125	57.8 Å²	57.8	77%	0.767	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	3.3	177.2	46	0	0	0	0	113.3	S144 R148	S144-T146 PolarHBondContact O-N 3.47Å; S144-T146 PolarHBondContact OG-N 2.82Å; S144-T146 PolarHBondContact OG-OG1 3.31Å; T146-R148 PolarHBondContact O-N 3.23Å
147	D	51.6	Low	69.9	Low	51 Å²	51	57.8 Å²	57.8	27%	0.273	33%	0.329	S	S	.	.			trans	-63.3	119.4	178.5	-64.4	-19.6	0	0	0	108.9	S144	S144-D147 VanDerWaalsContact CB-OD1 3.3Å; S144-D147 WeakPolarHBondContact CB-OD1 3.33Å; S144-D147 PolarHBondContact N-OD2 3.01Å; S144-D147 VanDerWaalsContact N-OD2 3.12Å; S144-D147 WeakPolarHBondContact O-CB 3.47Å; S144-D147 PolarHBondContact O-N 3.16Å; S144-D147 PolarHBondContact OG-N 2.94Å; S144-D147 PolarHBondContact OG-OD1 3.33Å
148	R	51.1	Low	70	Confident	202 Å²	202	59.3 Å²	59.3	76%	0.762	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-61.7	143.3	165.9	-78	-176.7	162.4	-177.9	-5.3	107.3	T146 D150 C151	T146-R148 PolarHBondContact O-N 3.23Å; R148-D150 PolarHBondContact O-N 3.43Å; R148-C151 CarbonylContact O-C 3.41Å; R148-C151 PolarHBondContact O-N 3.15Å
149	E	49.5	Very low	69.9	Low	166 Å²	166	53.8 Å²	53.8	78%	0.776	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-27.5	178.8	-146.1	168.4	-171.2	0	0	112.3	R134	R134-E149 PolarHBondContact NH2-O 2.96Å
150	D	45.8	Very low	69.9	Low	115 Å²	115	52.8 Å²	52.8	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.8	-176.4	-33.9	-39.9	0	0	0	114.7	Q44 R148	Q44-D150 PolarHBondContact NE2-O 3.12Å; R148-D150 PolarHBondContact O-N 3.43Å
151	C	50	Low	70	Confident	21 Å²	21	52.6 Å²	52.6	14%	0.142	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-145.4	89.6	179.7	-170.3	0	0	0	0	112.2	C40 R148	C40-C151 VanDerWaalsContact CA-SG 3.57Å; C40-C151 HydrophobicContact CB-CB 3.65Å; C40-C151 WeakPolarHBondContact CB-SG 3.42Å; C40-C151 WeakPolarHBondContact SG-CB 3.18Å; C40-C151 CovalentContact SG-SG 2Å; C40-C151 PolarHBondContact SG-SG 2.93Å; R148-C151 CarbonylContact O-C 3.41Å; R148-C151 PolarHBondContact O-N 3.15Å
152	V	51.3	Low	70.1	Confident	28 Å²	28	52.1 Å²	52.1	17%	0.17	30%	0.297	C	S	.	.			trans	-79.6	120.1	160.9	-179.8	0	0	0	0	106.6	L154	V152-L154 PolarHBondContact O-N 3.38Å
153	S	55.5	Low	70.4	Confident	46 Å²	46	52 Å²	52	32%	0.322	30%	0.296	S	S	.	.			trans	-60.2	109.9	164.8	56.9	0	0	0	0	107.1	V155	S153-V155 PolarHBondContact O-N 2.89Å; S153-V155 VanDerWaalsContact O-N 3.07Å
154	L	66.9	Low	71.4	Confident	79 Å²	79	50.2 Å²	50.2	41%	0.414	28%	0.283	S	S	.	.			trans	-59.9	120.6	-179	-76.2	168.6	0	0	0	108.3	V35 L43 V152	V35-L154 HydrophobicContact CG2-CB 3.89Å; V35-L154 WeakPolarHBondContact CG2-O 3.3Å; V35-L154 PolarHBondContact N-O 2.86Å; L43-L154 HydrophobicContact CD1-CD1 4.28Å; L43-L154 HydrophobicContact CD2-CD1 3.82Å; V152-L154 PolarHBondContact O-N 3.38Å
155	V	83.1	Confident	73	Confident	7 Å²	7	50 Å²	50	4%	0.042	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-74.8	125.7	173	-178.7	0	0	0	0	107.4	F33 Y125 Q137 L142 S153 G157 I160	F33-V155 HydrophobicContact CB-CG1 4.07Å; F33-V155 CarbonylContact O-C 3.32Å; F33-V155 WeakPolarHBondContact O-CA 3.48Å; Y125-V155 WeakPolarHBondContact CE1-O 3.21Å; Y125-V155 PolarHBondContact OH-N 2.89Å; Y125-V155 PolarHBondContact OH-O 2.86Å; Q137-V155 HydrophobicContact CG-CG2 4.17Å; L142-V155 HydrophobicContact CB-CG2 4.01Å; L142-V155 HydrophobicContact CD1-CG1 4.14Å; L142-V155 HydrophobicContact CD2-CG1 4.44Å; S153-V155 PolarHBondContact O-N 2.89Å; S153-V155 VanDerWaalsContact O-N 3.07Å; V155-G157 PolarHBondContact O-N 2.9Å; V155-I160 HydrophobicContact CG1-CD1 3.38Å; V155-I160 HydrophobicContact CG1-CG1 4.38Å
156	D	88.1	Confident	74.8	Confident	29 Å²	29	47.2 Å²	47.2	16%	0.155	24%	0.242	C	C	.	.			trans	-75.1	102.7	172.7	-175	-20.9	0	0	0	108.7	F33 V35 H158 K159 I160	F33-D156 WeakPolarHBondContact O-CB 3.36Å; F33-D156 PolarHBondContact O-N 3.23Å; V35-D156 HydrophobicContact CG2-CB 4.03Å; D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 2.88Å; D156-H158 WeakPolarHBondContact OD1-CB 3.49Å; D156-H158 PolarHBondContact OD1-N 2.67Å; D156-K159 HydrophobicContact CB-CB 4.25Å; D156-K159 HydrophobicContact CB-CD 3.88Å; D156-K159 HydrophobicContact CB-CG 4.11Å; D156-K159 PolarHBondContact O-N 2.95Å; D156-K159 PolarHBondContact OD1-N 2.94Å; D156-K159 WeakPolarHBondContact OD2-CD 3.26Å; D156-K159 WeakPolarHBondContact OD2-CE 3.47Å; D156-K159 WeakPolarHBondContact OD2-CG 3.3Å; D156-K159 IonicContact OD2-NZ 3.13Å; D156-I160 PolarHBondContact O-N 3.09Å
157	G	91.3	Very high	76.7	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-30.8	-179.8	0	0	0	0	0	112.6	V155 I160 L161	V155-G157 PolarHBondContact O-N 2.9Å; G157-I160 WeakPolarHBondContact O-CB 3.42Å; G157-I160 PolarHBondContact O-N 3.21Å; G157-I160 VanDerWaalsContact O-N 3.15Å; G157-L161 VanDerWaalsContact O-CG 3.26Å; G157-L161 WeakPolarHBondContact O-CG 3.49Å; G157-L161 PolarHBondContact O-N 3.48Å
158	H	92.3	Very high	78.6	Confident	36 Å²	36	39 Å²	39	17%	0.167	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-42.4	178.6	-67.6	-80.1	0	0	0	111.4	D156 I160 L161 S162 D196 G200 D203	D156-H158 VanDerWaalsContact C-N 3.26Å; D156-H158 PolarHBondContact O-N 2.88Å; D156-H158 WeakPolarHBondContact OD1-CB 3.49Å; D156-H158 PolarHBondContact OD1-N 2.67Å; H158-I160 PolarHBondContact O-N 2.97Å; H158-L161 PolarHBondContact O-N 2.79Å; H158-S162 WeakPolarHBondContact O-CB 3.49Å; H158-S162 PolarHBondContact O-N 2.95Å; H158-S162 PolarHBondContact O-OG 2.68Å; H158-D196 IonicContact CD2-OD1 2.95Å; H158-D196 PolarHBondContact CE1-O 2.81Å; H158-D196 PolarHBondContact NE2-O 2.67Å; H158-D196 IonicContact NE2-OD1 4Å; H158-D196 PolarHBondContact NE2-OD1 2.73Å; H158-D196 VanDerWaalsContact NE2-OD1 3.1Å; H158-G200 PolarHBondContact CE1-N 2.92Å; H158-D203 IonicContact CE1-OD2 2.77Å; H158-D203 IonicContact CG-OD2 3.8Å; H158-D203 IonicContact ND1-OD2 3.56Å; H158-D203 PolarHBondContact ND1-OD2 3.49Å
159	K	90.8	Very high	80.4	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-35.1	173.5	-73.4	176.2	-174.1	171.7	0	112.2	F33 A34 D36 D156 S162 T163	F33-K159 HydrophobicContact CD1-CB 4.04Å; A34-K159 PolarHBondContact O-NZ 3.48Å; D36-K159 IonicContact OD1-NZ 3.73Å; D36-K159 PolarHBondContact OD1-NZ 2.83Å; D36-K159 IonicContact OD2-NZ 2.69Å; D36-K159 PolarHBondContact OD2-NZ 2.74Å; D156-K159 HydrophobicContact CB-CB 4.25Å; D156-K159 HydrophobicContact CB-CD 3.88Å; D156-K159 HydrophobicContact CB-CG 4.11Å; D156-K159 PolarHBondContact O-N 2.95Å; D156-K159 PolarHBondContact OD1-N 2.94Å; D156-K159 WeakPolarHBondContact OD2-CD 3.26Å; D156-K159 WeakPolarHBondContact OD2-CE 3.47Å; D156-K159 WeakPolarHBondContact OD2-CG 3.3Å; D156-K159 IonicContact OD2-NZ 3.13Å; K159-S162 PolarHBondContact O-OG 3.13Å; K159-T163 VanDerWaalsContact O-CB 3.31Å; K159-T163 WeakPolarHBondContact O-CB 3.31Å; K159-T163 PolarHBondContact O-N 3.23Å; K159-T163 VanDerWaalsContact O-N 3.17Å; K159-T163 PolarHBondContact O-OG1 2.98Å
160	I	93.6	Very high	82.2	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-73.6	-48.4	177.8	-64.6	174	0	0	0	110.5	F33 L88 Y118 V122 L142 V155 D156 G157 H158 S162 T163 L164	F33-I160 HydrophobicContact CB-CD1 4.46Å; F33-I160 HydrophobicContact CB-CG1 4.19Å; F33-I160 HydrophobicContact CD1-CB 4.45Å; F33-I160 HydrophobicContact CD1-CD1 4.48Å; F33-I160 HydrophobicContact CD1-CG1 3.45Å; F33-I160 VanDerWaalsContact CD1-CG1 3.45Å; F33-I160 HydrophobicContact CE1-CG1 3.94Å; F33-I160 HydrophobicContact CG-CD1 4.48Å; F33-I160 HydrophobicContact CG-CG1 3.89Å; L88-I160 HydrophobicContact CD1-CG2 4.08Å; L88-I160 HydrophobicContact CD2-CG2 4.21Å; Y118-I160 HydrophobicContact CD1-CG2 4.36Å; Y118-I160 HydrophobicContact CE1-CG2 3.86Å; V122-I160 HydrophobicContact CG1-CB 4.2Å; V122-I160 HydrophobicContact CG1-CG2 4.19Å; V122-I160 HydrophobicContact CG2-CG2 3.84Å; L142-I160 HydrophobicContact CD1-CD1 3.55Å; L142-I160 HydrophobicContact CD2-CD1 3.85Å; L142-I160 HydrophobicContact CG-CD1 4.37Å; V155-I160 HydrophobicContact CG1-CD1 3.38Å; V155-I160 HydrophobicContact CG1-CG1 4.38Å; D156-I160 PolarHBondContact O-N 3.09Å; G157-I160 WeakPolarHBondContact O-CB 3.42Å; G157-I160 PolarHBondContact O-N 3.21Å; G157-I160 VanDerWaalsContact O-N 3.15Å; H158-I160 PolarHBondContact O-N 2.97Å; I160-S162 PolarHBondContact O-N 3.1Å; I160-T163 PolarHBondContact O-N 2.62Å; I160-T163 VanDerWaalsContact O-N 3.15Å; I160-L164 HydrophobicContact CG2-CD1 4.35Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CG 3.43Å; I160-L164 PolarHBondContact O-N 3.29Å
161	L	95.1	Very high	84.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-45.6	-179	-70.4	165.8	0	0	0	111.2	G119 V122 L126 G157 H158 L164 Q165 D203 F204	G119-L161 WeakPolarHBondContact O-CD2 3.35Å; V122-L161 HydrophobicContact CB-CD2 3.87Å; V122-L161 HydrophobicContact CB-CG 4.27Å; V122-L161 HydrophobicContact CG1-CD1 4.06Å; V122-L161 HydrophobicContact CG1-CD2 3.83Å; V122-L161 HydrophobicContact CG1-CG 3.64Å; L126-L161 HydrophobicContact CD1-CD1 3.55Å; G157-L161 VanDerWaalsContact O-CG 3.26Å; G157-L161 WeakPolarHBondContact O-CG 3.49Å; G157-L161 PolarHBondContact O-N 3.48Å; H158-L161 PolarHBondContact O-N 2.79Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.28Å; L161-Q165 PolarHBondContact O-N 3.49Å; L161-Q165 VanDerWaalsContact O-N 3.09Å; L161-D203 HydrophobicContact CB-CB 3.97Å; L161-F204 HydrophobicContact CB-CB 3.97Å; L161-F204 HydrophobicContact CD2-CB 3.52Å; L161-F204 HydrophobicContact CD2-CD1 4.46Å; L161-F204 HydrophobicContact CD2-CD2 4.2Å; L161-F204 HydrophobicContact CD2-CG 3.77Å; L161-F204 HydrophobicContact CG-CB 4.24Å
162	S	92.3	Very high	85.5	Confident	22 Å²	22	23.7 Å²	23.7	15%	0.154	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-40.5	173.9	62.7	0	0	0	0	112.3	H158 K159 I160 L164 Q165 D166	H158-S162 WeakPolarHBondContact O-CB 3.49Å; H158-S162 PolarHBondContact O-N 2.95Å; H158-S162 PolarHBondContact O-OG 2.68Å; K159-S162 PolarHBondContact O-OG 3.13Å; I160-S162 PolarHBondContact O-N 3.1Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.03Å; S162-Q165 CarbonylContact O-C 3.56Å; S162-Q165 WeakPolarHBondContact O-CB 3.47Å; S162-Q165 PolarHBondContact O-N 3.03Å; S162-Q165 VanDerWaalsContact O-N 3.1Å; S162-D166 PolarHBondContact O-N 3.37Å
163	T	92.9	Very high	86.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-34.9	175.6	-58.1	0	0	0	0	112.2	F33 R84 M85 L88 K159 I160 Q165 D166 I167	F33-T163 HydrophobicContact CE1-CG2 4.47Å; R84-T163 HydrophobicContact CB-CG2 3.85Å; M85-T163 HydrophobicContact CB-CG2 4.34Å; M85-T163 HydrophobicContact CG-CG2 3.69Å; L88-T163 HydrophobicContact CB-CG2 4.22Å; L88-T163 HydrophobicContact CD2-CG2 3.61Å; K159-T163 VanDerWaalsContact O-CB 3.31Å; K159-T163 WeakPolarHBondContact O-CB 3.31Å; K159-T163 PolarHBondContact O-N 3.23Å; K159-T163 VanDerWaalsContact O-N 3.17Å; K159-T163 PolarHBondContact O-OG1 2.98Å; I160-T163 PolarHBondContact O-N 2.62Å; I160-T163 VanDerWaalsContact O-N 3.15Å; T163-Q165 VanDerWaalsContact C-N 3.33Å; T163-D166 WeakPolarHBondContact O-CB 3.5Å; T163-D166 PolarHBondContact O-N 3.3Å; T163-I167 WeakPolarHBondContact O-CG1 3.37Å; T163-I167 PolarHBondContact O-N 2.9Å; T163-I167 VanDerWaalsContact O-N 3.08Å
164	L	94.8	Very high	86.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-39.9	173	-68.1	169.4	0	0	0	111.1	L88 V115 Y118 G119 I160 L161 S162 I167 N168 F204	L88-L164 HydrophobicContact CD2-CD2 3.57Å; L88-L164 HydrophobicContact CD2-CG 3.78Å; L88-L164 HydrophobicContact CG-CD2 4.16Å; V115-L164 HydrophobicContact CG1-CB 4.24Å; V115-L164 HydrophobicContact CG1-CD2 4.11Å; Y118-L164 HydrophobicContact CD1-CD1 4.1Å; Y118-L164 HydrophobicContact CD1-CD2 4.44Å; G119-L164 VanDerWaalsContact CA-CD1 3.48Å; I160-L164 HydrophobicContact CG2-CD1 4.35Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CG 3.43Å; I160-L164 PolarHBondContact O-N 3.29Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.28Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.03Å; L164-I167 WeakPolarHBondContact O-CB 3.2Å; L164-I167 PolarHBondContact O-N 3.2Å; L164-N168 PolarHBondContact O-N 3.36Å; L164-N168 VanDerWaalsContact O-N 3.16Å; L164-F204 HydrophobicContact CB-CD2 3.95Å; L164-F204 HydrophobicContact CB-CE2 4.04Å; L164-F204 HydrophobicContact CD1-CD2 3.95Å; L164-F204 HydrophobicContact CD1-CE2 4Å
165	Q	92.1	Very high	86.4	Confident	23 Å²	23	26.6 Å²	26.6	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-37.8	176.3	-168.3	62.6	6.1	0	0	111.8	L161 S162 T163 I167 N168 S169 D203 F204 D206	L161-Q165 PolarHBondContact O-N 3.49Å; L161-Q165 VanDerWaalsContact O-N 3.09Å; S162-Q165 CarbonylContact O-C 3.56Å; S162-Q165 WeakPolarHBondContact O-CB 3.47Å; S162-Q165 PolarHBondContact O-N 3.03Å; S162-Q165 VanDerWaalsContact O-N 3.1Å; T163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-I167 VanDerWaalsContact C-N 3.3Å; Q165-I167 PolarHBondContact O-N 3.04Å; Q165-N168 WeakPolarHBondContact O-CB 3.45Å; Q165-N168 PolarHBondContact O-N 2.83Å; Q165-N168 VanDerWaalsContact O-N 3.08Å; Q165-N168 PolarHBondContact OE1-ND2 3.37Å; Q165-S169 PolarHBondContact O-N 2.85Å; Q165-S169 PolarHBondContact O-OG 2.62Å; Q165-D203 WeakPolarHBondContact CB-O 3.42Å; Q165-F204 PolarHBondContact OE1-O 3.24Å; Q165-D206 PolarHBondContact NE2-OD1 3.14Å
166	D	90.8	Very high	86	Confident	36 Å²	36	26.9 Å²	26.9	19%	0.193	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-42.9	172.4	-65.4	-26.9	0	0	0	111.3	M81 M85 S162 T163 N168 S169 L170	M81-D166 HydrophobicContact CE-CB 3.76Å; M81-D166 WeakPolarHBondContact CE-OD1 3.33Å; M81-D166 WeakPolarHBondContact CE-OD2 3.32Å; M85-D166 HydrophobicContact CG-CB 4.46Å; M85-D166 HydrophobicContact SD-CB 3.89Å; S162-D166 PolarHBondContact O-N 3.37Å; T163-D166 WeakPolarHBondContact O-CB 3.5Å; T163-D166 PolarHBondContact O-N 3.3Å; D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 3.3Å; D166-S169 PolarHBondContact O-N 3.27Å; D166-L170 WeakPolarHBondContact O-CG 3.46Å; D166-L170 PolarHBondContact O-N 3.18Å
167	I	91.7	Very high	85.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-41.6	174.7	-70	166.1	0	0	0	111.1	M85 L88 T163 L164 Q165 L170 L451	M85-I167 HydrophobicContact CB-CG1 4.22Å; M85-I167 HydrophobicContact CG-CG1 3.92Å; M85-I167 HydrophobicContact SD-CG1 4.2Å; L88-I167 HydrophobicContact CD2-CD1 4.32Å; T163-I167 WeakPolarHBondContact O-CG1 3.37Å; T163-I167 PolarHBondContact O-N 2.9Å; T163-I167 VanDerWaalsContact O-N 3.08Å; L164-I167 WeakPolarHBondContact O-CB 3.2Å; L164-I167 PolarHBondContact O-N 3.2Å; Q165-I167 VanDerWaalsContact C-N 3.3Å; Q165-I167 PolarHBondContact O-N 3.04Å; I167-L170 PolarHBondContact O-N 3.15Å; I167-L451 HydrophobicContact CG2-CD2 3.91Å
168	N	92.2	Very high	85.9	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-45	176.3	-66.6	-27.3	0	0	0	111.5	L164 Q165 D166 L170 V171 D172 I179	L164-N168 PolarHBondContact O-N 3.36Å; L164-N168 VanDerWaalsContact O-N 3.16Å; Q165-N168 WeakPolarHBondContact O-CB 3.45Å; Q165-N168 PolarHBondContact O-N 2.83Å; Q165-N168 VanDerWaalsContact O-N 3.08Å; Q165-N168 PolarHBondContact OE1-ND2 3.37Å; D166-N168 VanDerWaalsContact C-N 3.32Å; D166-N168 PolarHBondContact O-N 3.3Å; N168-L170 PolarHBondContact O-N 3.47Å; N168-V171 PolarHBondContact O-N 2.88Å; N168-D172 PolarHBondContact O-N 3.27Å; N168-I179 HydrophobicContact CB-CD1 4.42Å; N168-I179 HydrophobicContact CB-CG2 3.99Å
169	S	89.1	Confident	86	Confident	67 Å²	67	28.1 Å²	28.1	47%	0.469	18%	0.179	S	C	.	.	H	α-helix	trans	-67.9	-19.8	-179	-61.7	0	0	0	0	114	Q165 D166 V171	Q165-S169 PolarHBondContact O-N 2.85Å; Q165-S169 PolarHBondContact O-OG 2.62Å; D166-S169 PolarHBondContact O-N 3.27Å; S169-V171 VanDerWaalsContact C-N 3.25Å; S169-V171 PolarHBondContact O-N 3.15Å
170	L	86.9	Confident	86.2	Confident	57 Å²	57	29 Å²	29	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-65.5	-31.7	169.8	-73.8	172.5	0	0	0	112.5	M85 D166 I167 N168 Q315 E444 Y447	M85-L170 HydrophobicContact CE-CD1 4.21Å; M85-L170 HydrophobicContact SD-CD1 3.61Å; M85-L170 HydrophobicContact SD-CG 4.42Å; D166-L170 WeakPolarHBondContact O-CG 3.46Å; D166-L170 PolarHBondContact O-N 3.18Å; I167-L170 PolarHBondContact O-N 3.15Å; N168-L170 PolarHBondContact O-N 3.47Å; L170-Q315 VanDerWaalsContact O-CB 3.26Å; L170-Q315 WeakPolarHBondContact O-CB 3.14Å; L170-Q315 VanDerWaalsContact O-CG 3.28Å; L170-Q315 WeakPolarHBondContact O-CG 3.08Å; L170-E444 HydrophobicContact CB-CG 4.34Å; L170-Y447 HydrophobicContact CD1-CD2 3.79Å; L170-Y447 HydrophobicContact CD1-CE2 3.6Å
171	V	85.2	Confident	86.3	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-90.7	-38.2	-179	175.6	0	0	0	0	111.6	N168 S169 D173 D177 I179 F258 Q315 E444 L451	N168-V171 PolarHBondContact O-N 2.88Å; S169-V171 VanDerWaalsContact C-N 3.25Å; S169-V171 PolarHBondContact O-N 3.15Å; V171-D173 PolarHBondContact O-N 3.2Å; V171-D177 HydrophobicContact CG1-CB 3.69Å; V171-I179 HydrophobicContact CB-CD1 3.82Å; V171-I179 HydrophobicContact CG1-CD1 3.88Å; V171-I179 HydrophobicContact CG1-CG1 4.43Å; V171-F258 HydrophobicContact CG1-CE2 4.06Å; V171-Q315 HydrophobicContact CG2-CB 4.44Å; V171-E444 HydrophobicContact CG2-CB 3.88Å; V171-E444 HydrophobicContact CG2-CG 3.58Å; V171-L451 HydrophobicContact CB-CD1 4.32Å; V171-L451 HydrophobicContact CG1-CD1 4.3Å; V171-L451 HydrophobicContact CG2-CD1 3.8Å
172	D	78.8	Confident	86.4	Confident	58 Å²	58	30.6 Å²	30.6	31%	0.31	19%	0.191	S	C	.	.			trans	-82.4	64.2	174	-162.5	-12	0	0	0	111.8	N168 G174 D177 I179	N168-D172 PolarHBondContact O-N 3.27Å; D172-G174 PolarHBondContact O-N 3.26Å; D172-D177 WeakPolarHBondContact CA-O 3.28Å; D172-I179 HydrophobicContact CB-CB 4.36Å; D172-I179 PolarHBondContact OD2-N 3.17Å
173	D	69.5	Low	86.6	Confident	67 Å²	67	29.6 Å²	29.6	36%	0.358	18%	0.184	S	C	.	.	S	Bend	trans	-83.9	8.8	178.9	75	4.8	0	0	0	113.4	V171 S175	V171-D173 PolarHBondContact O-N 3.2Å; D173-S175 VanDerWaalsContact CG-OG 3.3Å; D173-S175 PolarHBondContact O-N 2.91Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 2.68Å; D173-S175 PolarHBondContact OD1-OG 3.03Å; D173-S175 PolarHBondContact OD2-OG 2.9Å
174	G	64.1	Low	86.9	Confident	72 Å²	72	29.6 Å²	29.6	74%	0.742	18%	0.184	S	C	*	.	S	Bend	trans	73.1	5.8	-179.1	0	0	0	0	0	114.9	D172	D172-G174 PolarHBondContact O-N 3.26Å
175	S	60.4	Low	87	Confident	76 Å²	76	29.6 Å²	29.6	53%	0.531	18%	0.184	S	C	.	.	S	Bend	trans	-113.5	-1.3	-177.1	78.4	0	0	0	0	115.1	D173	D173-S175 VanDerWaalsContact CG-OG 3.3Å; D173-S175 PolarHBondContact O-N 2.91Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 2.68Å; D173-S175 PolarHBondContact OD1-OG 3.03Å; D173-S175 PolarHBondContact OD2-OG 2.9Å
176	G	74.1	Confident	87.3	Confident	13 Å²	13	28.5 Å²	28.5	13%	0.134	18%	0.179	C	C	.	.	S	Bend	trans	-167.9	-78.5	-179.3	0	0	0	0	0	114.6	N261	G176-N261 PolarHBondContact O-ND2 3.12Å
177	D	86.9	Confident	87.6	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.011	17%	0.17	C	C	.	.			trans	-86.4	140	-176.3	-56.8	-39.6	0	0	0	109.9	V171 D172 F258 K259 G260 N261 S313 S316	V171-D177 HydrophobicContact CG1-CB 3.69Å; D172-D177 WeakPolarHBondContact CA-O 3.28Å; D177-F258 HydrophobicContact CB-CE2 4.09Å; D177-F258 HydrophobicContact CB-CZ 3.94Å; D177-K259 WeakPolarHBondContact CA-O 3.36Å; D177-G260 VanDerWaalsContact OD1-CA 3.25Å; D177-G260 WeakPolarHBondContact OD1-CA 3.41Å; D177-N261 PolarHBondContact OD1-N 2.84Å; D177-S313 WeakPolarHBondContact OD2-CB 3.33Å; D177-S313 PolarHBondContact OD2-OG 2.62Å; D177-S316 PolarHBondContact OD2-OG 3.01Å
178	E	91.1	Very high	87.8	Confident	85 Å²	85	30 Å²	30	40%	0.397	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.2	178.1	-179.6	-175.7	177	0	0	109	K259	E178-K259 HydrophobicContact CB-CB 4.28Å; E178-K259 PolarHBondContact N-O 2.86Å; E178-K259 PolarHBondContact O-N 3.06Å
179	I	93.8	Very high	87.9	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112	175	-61.4	-177.6	0	0	0	108.1	N168 V171 D172 T181 F256 S257 F258 L451	N168-I179 HydrophobicContact CB-CD1 4.42Å; N168-I179 HydrophobicContact CB-CG2 3.99Å; V171-I179 HydrophobicContact CB-CD1 3.82Å; V171-I179 HydrophobicContact CG1-CD1 3.88Å; V171-I179 HydrophobicContact CG1-CG1 4.43Å; D172-I179 HydrophobicContact CB-CB 4.36Å; D172-I179 PolarHBondContact OD2-N 3.17Å; I179-T181 HydrophobicContact CG2-CG2 4.38Å; I179-F256 HydrophobicContact CD1-CZ 4.19Å; I179-F256 HydrophobicContact CG1-CZ 4.47Å; I179-F256 HydrophobicContact CG2-CD2 4.11Å; I179-F256 HydrophobicContact CG2-CE2 3.44Å; I179-F256 VanDerWaalsContact CG2-CE2 3.44Å; I179-F256 HydrophobicContact CG2-CZ 3.74Å; I179-S257 WeakPolarHBondContact CA-O 3.49Å; I179-F258 HydrophobicContact CD1-CD2 4.06Å; I179-F258 HydrophobicContact CD1-CE2 4.33Å; I179-F258 HydrophobicContact CG1-CD2 3.78Å; I179-F258 HydrophobicContact CG1-CE2 4.24Å; I179-L451 HydrophobicContact CD1-CD1 3.89Å
180	T	93.9	Very high	88	Confident	24 Å²	24	34.7 Å²	34.7	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.5	173.3	-59.6	0	0	0	0	110.9	R182 D206 S257	T180-R182 HydrophobicContact CG2-CG 4.12Å; T180-D206 WeakPolarHBondContact CA-OD2 3.42Å; T180-S257 PolarHBondContact N-O 3.22Å; T180-S257 PolarHBondContact O-N 3.22Å
181	T	95.8	Very high	88.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	176.9	53.7	0	0	0	0	111.1	I179 S205 D206 K207 S255 F256	I179-T181 HydrophobicContact CG2-CG2 4.38Å; T181-S205 WeakPolarHBondContact OG1-CA 3.16Å; T181-D206 PolarHBondContact N-OD2 2.96Å; T181-D206 WeakPolarHBondContact O-CB 3.49Å; T181-D206 PolarHBondContact O-N 2.92Å; T181-D206 PolarHBondContact OG1-N 3.44Å; T181-D206 PolarHBondContact OG1-OD2 3.34Å; T181-K207 PolarHBondContact O-N 3.02Å; T181-S255 CarbonylContact C-O 3.49Å; T181-S255 VanDerWaalsContact CA-O 3.3Å; T181-S255 WeakPolarHBondContact CA-O 3.26Å; T181-F256 HydrophobicContact CG2-CD2 3.9Å
182	R	97.1	Very high	88.9	Confident	33 Å²	33	35.5 Å²	35.5	13%	0.125	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.4	-179.6	-59	-176.4	-173.1	163	3.3	110.7	T180 W184 K207 T232 D234 S254 S255	T180-R182 HydrophobicContact CG2-CG 4.12Å; R182-W184 HydrophobicContact CB-CE3 4.32Å; R182-W184 HydrophobicContact CB-CH2 3.52Å; R182-W184 HydrophobicContact CB-CZ2 4.12Å; R182-W184 HydrophobicContact CB-CZ3 3.62Å; R182-W184 HydrophobicContact CG-CH2 4.33Å; R182-K207 CarbonylContact C-O 3.57Å; R182-K207 VanDerWaalsContact CA-O 3.27Å; R182-K207 WeakPolarHBondContact CA-O 3.46Å; R182-K207 HydrophobicContact CG-CB 4.28Å; R182-T232 PolarHBondContact NH1-O 2.95Å; R182-D234 IonicContact CZ-OD2 2.8Å; R182-D234 VanDerWaalsContact CZ-OD2 3.31Å; R182-D234 IonicContact NH1-OD2 2.95Å; R182-D234 PolarHBondContact NH1-OD2 3.48Å; R182-D234 IonicContact NH2-OD2 2.99Å; R182-D234 PolarHBondContact NH2-OD2 3.49Å; R182-S254 CarbonylContact O-C 3.55Å; R182-S254 WeakPolarHBondContact O-CA 3.35Å; R182-S255 PolarHBondContact N-O 3.1Å; R182-S255 PolarHBondContact O-N 2.67Å
183	V	97.9	Very high	89.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	176.5	169.9	0	0	0	0	110	T201 K207 S208 F209 F252 I253	V183-T201 HydrophobicContact CG1-CG2 4.07Å; V183-K207 PolarHBondContact N-O 3.2Å; V183-S208 CarbonylContact O-C 3.59Å; V183-S208 VanDerWaalsContact O-CA 3.28Å; V183-S208 WeakPolarHBondContact O-CA 3.44Å; V183-F209 PolarHBondContact O-N 3.34Å; V183-F252 HydrophobicContact CG1-CD2 4.28Å; V183-F252 HydrophobicContact CG1-CE2 3.52Å; V183-F252 HydrophobicContact CG1-CZ 3.97Å; V183-F252 HydrophobicContact CG2-CZ 4.34Å; V183-I253 WeakPolarHBondContact CA-O 3.43Å
184	W	98.2	Very high	91	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130	166.9	-58.3	-102	0	0	0	109.7	R182 F186 F209 F228 V229 T232 L237 F252 I253	R182-W184 HydrophobicContact CB-CE3 4.32Å; R182-W184 HydrophobicContact CB-CH2 3.52Å; R182-W184 HydrophobicContact CB-CZ2 4.12Å; R182-W184 HydrophobicContact CB-CZ3 3.62Å; R182-W184 HydrophobicContact CG-CH2 4.33Å; W184-F186 HydrophobicContact CB-CE2 3.61Å; W184-F186 HydrophobicContact CB-CZ 3.8Å; W184-F186 HydrophobicContact CG-CE2 4.5Å; W184-F186 HydrophobicContact CG-CZ 4.35Å; W184-F209 WeakPolarHBondContact CA-O 3.28Å; W184-F209 AromaticContact CD1-CD2 3.58Å; W184-F209 AromaticContact CD1-CG 3.81Å; W184-F209 HydrophobicContact CD2-CD2 4.35Å; W184-F209 AromaticContact CE2-CD2 3.85Å; W184-F209 HydrophobicContact CG-CB 4.32Å; W184-F209 HydrophobicContact CG-CD2 4.21Å; W184-F209 HydrophobicContact CZ2-CE2 4.39Å; W184-F209 AromaticContact NE1-CD2 3.29Å; W184-F209 VanDerWaalsContact NE1-CD2 3.29Å; W184-F209 AromaticContact NE1-CE2 3.79Å; W184-F209 AromaticContact NE1-CG 3.83Å; W184-F228 AromaticContact CD1-CE1 3.95Å; W184-V229 HydrophobicContact CB-CG2 4.42Å; W184-V229 HydrophobicContact CD2-CG2 4.5Å; W184-V229 HydrophobicContact CG-CG2 4.11Å; W184-T232 PolarHBondContact NE1-OG1 3.2Å; W184-L237 HydrophobicContact CH2-CD1 3.87Å; W184-L237 HydrophobicContact CZ3-CD1 3.83Å; W184-F252 WeakPolarHBondContact O-CA 3.42Å; W184-I253 HydrophobicContact CB-CG2 3.69Å; W184-I253 HydrophobicContact CD2-CG2 4.23Å; W184-I253 HydrophobicContact CE3-CG2 3.83Å; W184-I253 HydrophobicContact CG-CG2 4.24Å; W184-I253 PolarHBondContact N-O 2.84Å; W184-I253 PolarHBondContact O-N 3.43Å
185	A	97.9	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.5	178.4	0	0	0	0	0	109.5	F197 F209 I210 R211 F250 L251 F252	A185-F197 HydrophobicContact CB-CE1 4.48Å; A185-F209 PolarHBondContact N-O 2.62Å; A185-I210 HydrophobicContact CB-CG1 4.17Å; A185-I210 HydrophobicContact CB-CG2 4.43Å; A185-I210 CarbonylContact O-C 3.52Å; A185-I210 VanDerWaalsContact O-CA 3.31Å; A185-I210 WeakPolarHBondContact O-CA 3.5Å; A185-R211 PolarHBondContact O-N 2.77Å; A185-F250 HydrophobicContact CB-CE2 4.01Å; A185-F250 HydrophobicContact CB-CZ 3.73Å; A185-L251 WeakPolarHBondContact CA-O 3.27Å; A185-F252 HydrophobicContact CB-CD2 4.48Å
186	F	98.1	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.8	-178.5	-54.8	-79.3	0	0	0	109.4	L59 W184 R211 V213 F215 V225 F228 V229 F241 F250 L251	L59-F186 HydrophobicContact CD1-CD1 3.76Å; L59-F186 HydrophobicContact CD1-CE1 3.57Å; W184-F186 HydrophobicContact CB-CE2 3.61Å; W184-F186 HydrophobicContact CB-CZ 3.8Å; W184-F186 HydrophobicContact CG-CE2 4.5Å; W184-F186 HydrophobicContact CG-CZ 4.35Å; F186-R211 CarbonylContact C-O 3.47Å; F186-R211 VanDerWaalsContact CA-O 3.29Å; F186-R211 WeakPolarHBondContact CA-O 3.31Å; F186-R211 HydrophobicContact CD1-CB 4.04Å; F186-R211 HydrophobicContact CE1-CB 4.28Å; F186-V213 HydrophobicContact CB-CG2 3.92Å; F186-V213 HydrophobicContact CD1-CG2 3.88Å; F186-V213 HydrophobicContact CG-CG2 4.31Å; F186-F215 HydrophobicContact CB-CZ 4.28Å; F186-V225 HydrophobicContact CD1-CG1 4.4Å; F186-V225 HydrophobicContact CD1-CG2 4.06Å; F186-V225 HydrophobicContact CD2-CG1 3.7Å; F186-V225 HydrophobicContact CE1-CG1 4.28Å; F186-V225 HydrophobicContact CE1-CG2 4.4Å; F186-V225 HydrophobicContact CE2-CG1 3.55Å; F186-V225 HydrophobicContact CG-CG1 4.13Å; F186-V225 HydrophobicContact CG-CG2 4.11Å; F186-V225 HydrophobicContact CZ-CG1 3.86Å; F186-F228 AromaticContact CE1-CD1 3.87Å; F186-F228 HydrophobicContact CE1-CD1 3.87Å; F186-F228 HydrophobicContact CE1-CE1 4.33Å; F186-F228 AromaticContact CZ-CD1 3.94Å; F186-F228 HydrophobicContact CZ-CD1 3.94Å; F186-F228 HydrophobicContact CZ-CE1 4.5Å; F186-V229 HydrophobicContact CE2-CG2 3.85Å; F186-V229 HydrophobicContact CZ-CG2 3.73Å; F186-F241 HydrophobicContact CD2-CE2 4.21Å; F186-F241 HydrophobicContact CD2-CZ 4.45Å; F186-F241 AromaticContact CE2-CE2 3.94Å; F186-F241 HydrophobicContact CE2-CE2 3.94Å; F186-F241 HydrophobicContact CE2-CZ 4.47Å; F186-F250 CarbonylContact O-C 3.54Å; F186-F250 VanDerWaalsContact O-CA 3.31Å; F186-F250 WeakPolarHBondContact O-CA 3.31Å; F186-L251 HydrophobicContact CB-CB 4.17Å; F186-L251 HydrophobicContact CD2-CB 4.26Å; F186-L251 PolarHBondContact N-O 2.69Å; F186-L251 PolarHBondContact O-N 2.82Å
187	A	97.6	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	154.3	176.9	0	0	0	0	0	110.9	V56 S189 L193 R211 G212 V213 N249 F250	V56-A187 HydrophobicContact CG2-CB 4.49Å; A187-S189 PolarHBondContact O-N 3.34Å; A187-L193 HydrophobicContact CB-CD1 3.98Å; A187-L193 HydrophobicContact CB-CD2 3.99Å; A187-L193 HydrophobicContact CB-CG 4.04Å; A187-R211 PolarHBondContact N-O 2.78Å; A187-G212 CarbonylContact O-C 3.55Å; A187-G212 VanDerWaalsContact O-CA 3.31Å; A187-G212 WeakPolarHBondContact O-CA 3.42Å; A187-V213 PolarHBondContact O-N 3.47Å; A187-N249 CarbonylContact C-O 3.19Å; A187-N249 WeakPolarHBondContact CA-O 3.47Å; A187-F250 HydrophobicContact CB-CD2 4.04Å; A187-F250 HydrophobicContact CB-CE2 4.42Å
188	R	96.1	Very high	95.1	Very high	68 Å²	68	33 Å²	33	26%	0.257	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.8	169.9	-169.2	171.2	62.7	96.1	14.5	109.9	D190 A191 V213 F215 N249	R188-D190 WeakPolarHBondContact CG-OD1 3.26Å; R188-D190 IonicContact CZ-OD1 3.76Å; R188-D190 IonicContact CZ-OD2 2.68Å; R188-D190 IonicContact NE-OD1 3.23Å; R188-D190 PolarHBondContact NE-OD1 3.3Å; R188-D190 IonicContact NH1-OD1 3.81Å; R188-D190 PolarHBondContact NH1-OD1 3.36Å; R188-D190 IonicContact NH1-OD2 3.74Å; R188-D190 PolarHBondContact NH1-OD2 2.96Å; R188-D190 VanDerWaalsContact NH2-CG 3.32Å; R188-D190 IonicContact NH2-OD1 3.69Å; R188-D190 PolarHBondContact NH2-OD1 3.13Å; R188-D190 IonicContact NH2-OD2 3.5Å; R188-D190 PolarHBondContact NH2-OD2 2.88Å; R188-D190 PolarHBondContact O-N 3.38Å; R188-D190 VanDerWaalsContact O-N 3.09Å; R188-A191 VanDerWaalsContact O-CB 3.3Å; R188-A191 WeakPolarHBondContact O-CB 3.48Å; R188-A191 PolarHBondContact O-N 3.34Å; R188-V213 CarbonylContact C-O 3.47Å; R188-V213 WeakPolarHBondContact CA-O 3.49Å; R188-F215 HydrophobicContact CB-CD2 4.06Å; R188-F215 HydrophobicContact CB-CE2 4.37Å; R188-F215 HydrophobicContact CG-CD2 4.35Å; R188-N249 PolarHBondContact N-O 2.64Å; R188-N249 PolarHBondContact NE-OD1 3.3Å
189	S	93.2	Very high	95.3	Very high	72 Å²	72	31.1 Å²	31.1	50%	0.503	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.5	-167.3	53	0	0	0	0	116.6	A187 V213	A187-S189 PolarHBondContact O-N 3.34Å; S189-V213 PolarHBondContact N-O 3.33Å
190	D	91.8	Very high	95.3	Very high	95 Å²	95	31 Å²	31	51%	0.508	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-3.3	177.3	66.7	-28.1	0	0	0	113.5	R188	R188-D190 WeakPolarHBondContact CG-OD1 3.26Å; R188-D190 IonicContact CZ-OD1 3.76Å; R188-D190 IonicContact CZ-OD2 2.68Å; R188-D190 IonicContact NE-OD1 3.23Å; R188-D190 PolarHBondContact NE-OD1 3.3Å; R188-D190 IonicContact NH1-OD1 3.81Å; R188-D190 PolarHBondContact NH1-OD1 3.36Å; R188-D190 IonicContact NH1-OD2 3.74Å; R188-D190 PolarHBondContact NH1-OD2 2.96Å; R188-D190 VanDerWaalsContact NH2-CG 3.32Å; R188-D190 IonicContact NH2-OD1 3.69Å; R188-D190 PolarHBondContact NH2-OD1 3.13Å; R188-D190 IonicContact NH2-OD2 3.5Å; R188-D190 PolarHBondContact NH2-OD2 2.88Å; R188-D190 PolarHBondContact O-N 3.38Å; R188-D190 VanDerWaalsContact O-N 3.09Å
191	A	94.3	Very high	95.3	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.025	14%	0.144	C	C	.	.			trans	-81.9	143.4	179.4	0	0	0	0	0	111.4	R188 F399	R188-A191 VanDerWaalsContact O-CB 3.3Å; R188-A191 WeakPolarHBondContact O-CB 3.48Å; R188-A191 PolarHBondContact O-N 3.34Å; A191-F399 HydrophobicContact CB-CE2 3.76Å; A191-F399 HydrophobicContact CB-CZ 4.3Å
192	Q	95.8	Very high	95.1	Very high	72 Å²	72	30.8 Å²	30.8	34%	0.336	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.1	165	-55.7	-178	23.9	0	0	109.2	T53 V54 S394 N395	T53-Q192 HydrophobicContact CG2-CB 4.5Å; T53-Q192 PolarHBondContact OG1-OE1 3.34Å; V54-Q192 CarbonylContact O-C 3.32Å; V54-Q192 VanDerWaalsContact O-CA 3.3Å; V54-Q192 WeakPolarHBondContact O-CA 3.48Å; V54-Q192 WeakPolarHBondContact O-CB 3.3Å; Q192-S394 WeakPolarHBondContact O-CA 3.42Å; Q192-S394 VanDerWaalsContact O-CB 3.31Å; Q192-S394 WeakPolarHBondContact O-CB 3.33Å; Q192-S394 PolarHBondContact O-OG 3.26Å; Q192-N395 PolarHBondContact N-OD1 3.39Å; Q192-N395 PolarHBondContact O-N 3.38Å; Q192-N395 PolarHBondContact O-OD1 2.59Å
193	L	96.5	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.8	-179.6	-67.7	-177.2	0	0	0	111.5	T53 V54 V56 A187 I198 I210 F250 L393 F399	T53-L193 CarbonylContact C-O 3.58Å; T53-L193 WeakPolarHBondContact CA-O 3.42Å; T53-L193 WeakPolarHBondContact CB-O 3.12Å; V54-L193 PolarHBondContact N-O 2.85Å; V54-L193 PolarHBondContact O-N 3.43Å; V56-L193 HydrophobicContact CG2-CB 4.1Å; V56-L193 HydrophobicContact CG2-CD1 3.65Å; V56-L193 HydrophobicContact CG2-CG 3.64Å; A187-L193 HydrophobicContact CB-CD1 3.98Å; A187-L193 HydrophobicContact CB-CD2 3.99Å; A187-L193 HydrophobicContact CB-CG 4.04Å; L193-I198 HydrophobicContact CB-CD1 4.07Å; L193-I198 HydrophobicContact CB-CG1 4.26Å; L193-I210 HydrophobicContact CD1-CG2 3.64Å; L193-F250 HydrophobicContact CD1-CE2 4.05Å; L193-F250 HydrophobicContact CD2-CD2 4.39Å; L193-F250 HydrophobicContact CD2-CE2 4.21Å; L193-L393 CarbonylContact C-O 3.5Å; L193-L393 WeakPolarHBondContact CA-O 3.5Å; L193-L393 HydrophobicContact CD2-CD1 4.4Å; L193-L393 HydrophobicContact CD2-CG 4.32Å; L193-F399 HydrophobicContact CD2-CE1 4.37Å; L193-F399 HydrophobicContact CD2-CZ 4.22Å
194	S	95.3	Very high	94.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.4	176	176.4	0	0	0	0	111.9	E52 D196 F197 I198 R392 L393	E52-S194 WeakPolarHBondContact O-CA 3.32Å; S194-D196 PolarHBondContact O-N 2.88Å; S194-D196 WeakPolarHBondContact OG-CB 3.37Å; S194-D196 PolarHBondContact OG-N 3.13Å; S194-F197 PolarHBondContact O-N 3.36Å; S194-I198 WeakPolarHBondContact O-CG1 3.45Å; S194-I198 PolarHBondContact O-N 3.24Å; S194-R392 WeakPolarHBondContact CB-O 3.25Å; S194-R392 PolarHBondContact OG-O 2.68Å; S194-L393 PolarHBondContact N-O 3.26Å
195	R	93.6	Very high	94.3	Very high	136 Å²	136	30.1 Å²	30.1	51%	0.513	15%	0.147	S	C	.	.	H	α-helix	trans	-58.1	-36.7	171.7	-71.2	-174.6	-161.4	-91.2	-2.9	111.8	E52 V54 I198 Q199	E52-R195 HydrophobicContact CB-CG 4.43Å; E52-R195 PolarHBondContact O-N 3.17Å; V54-R195 HydrophobicContact CG2-CG 3.4Å; V54-R195 VanDerWaalsContact CG2-CG 3.4Å; R195-I198 PolarHBondContact O-N 3.35Å; R195-Q199 WeakPolarHBondContact O-CB 3.34Å; R195-Q199 PolarHBondContact O-N 3.17Å
196	D	91.2	Very high	94.1	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	16%	0.162	S	C	.	.	H	α-helix	trans	-60.8	-47.9	178.7	-151.9	53.5	0	0	0	110.4	H158 S194 Q199 G200	H158-D196 IonicContact CD2-OD1 2.95Å; H158-D196 PolarHBondContact CE1-O 2.81Å; H158-D196 PolarHBondContact NE2-O 2.67Å; H158-D196 IonicContact NE2-OD1 4Å; H158-D196 PolarHBondContact NE2-OD1 2.73Å; H158-D196 VanDerWaalsContact NE2-OD1 3.1Å; S194-D196 PolarHBondContact O-N 2.88Å; S194-D196 WeakPolarHBondContact OG-CB 3.37Å; S194-D196 PolarHBondContact OG-N 3.13Å; D196-Q199 PolarHBondContact O-N 3.05Å; D196-G200 PolarHBondContact O-N 3.42Å
197	F	93.7	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-47.8	175.5	173.9	-97.2	0	0	0	111.9	A123 A185 S194 Q199 G200 T201 F250 F252 L393	A123-F197 HydrophobicContact CB-CE2 4.36Å; A123-F197 WeakPolarHBondContact O-CD2 3.31Å; A185-F197 HydrophobicContact CB-CE1 4.48Å; S194-F197 PolarHBondContact O-N 3.36Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; F197-Q199 PolarHBondContact O-N 3.02Å; F197-G200 PolarHBondContact O-N 2.83Å; F197-G200 VanDerWaalsContact O-N 3.13Å; F197-T201 HydrophobicContact CD1-CG2 4.35Å; F197-T201 HydrophobicContact CE1-CG2 3.8Å; F197-T201 HydrophobicContact CE2-CG2 4.24Å; F197-T201 HydrophobicContact CZ-CG2 3.73Å; F197-T201 PolarHBondContact O-N 2.83Å; F197-F250 HydrophobicContact CE1-CE2 4.3Å; F197-F250 AromaticContact CE1-CZ 3.67Å; F197-F250 HydrophobicContact CE1-CZ 3.67Å; F197-F250 HydrophobicContact CZ-CE1 4.06Å; F197-F250 AromaticContact CZ-CZ 3.55Å; F197-F250 HydrophobicContact CZ-CZ 3.55Å; F197-F252 HydrophobicContact CZ-CD2 4.33Å; F197-F252 HydrophobicContact CZ-CE2 4.42Å; F197-L393 HydrophobicContact CB-CD1 3.85Å; F197-L393 HydrophobicContact CD1-CD1 3.46Å; F197-L393 VanDerWaalsContact CD1-CD1 3.46Å; F197-L393 HydrophobicContact CD2-CD1 3.37Å; F197-L393 HydrophobicContact CE1-CD1 3.8Å; F197-L393 HydrophobicContact CE2-CD1 3.7Å; F197-L393 HydrophobicContact CG-CD1 3.23Å; F197-L393 HydrophobicContact CZ-CD1 3.91Å
198	I	95.1	Very high	93.9	Very high	30 Å²	30	36.9 Å²	36.9	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-56.9	-49.6	179.6	-68.4	174.7	0	0	0	110.2	V54 L193 S194 R195 G200 T201 Q202 I210	V54-I198 HydrophobicContact CB-CD1 4.41Å; L193-I198 HydrophobicContact CB-CD1 4.07Å; L193-I198 HydrophobicContact CB-CG1 4.26Å; S194-I198 WeakPolarHBondContact O-CG1 3.45Å; S194-I198 PolarHBondContact O-N 3.24Å; R195-I198 PolarHBondContact O-N 3.35Å; I198-G200 VanDerWaalsContact C-N 3.3Å; I198-G200 PolarHBondContact O-N 3.44Å; I198-T201 PolarHBondContact O-N 2.95Å; I198-T201 VanDerWaalsContact O-N 3.17Å; I198-T201 PolarHBondContact O-OG1 2.85Å; I198-Q202 WeakPolarHBondContact O-CG 3.43Å; I198-Q202 PolarHBondContact O-N 3.42Å; I198-I210 HydrophobicContact CB-CD1 4.13Å; I198-I210 HydrophobicContact CG1-CD1 3.95Å; I198-I210 HydrophobicContact CG2-CD1 3.63Å
199	Q	93.9	Very high	93.9	Very high	47 Å²	47	33.9 Å²	33.9	22%	0.22	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-41.3	177.4	-176.8	64.4	51.1	0	0	111.2	R195 D196 F197 T201 Q202 D203	R195-Q199 WeakPolarHBondContact O-CB 3.34Å; R195-Q199 PolarHBondContact O-N 3.17Å; D196-Q199 PolarHBondContact O-N 3.05Å; F197-Q199 VanDerWaalsContact C-N 3.34Å; F197-Q199 PolarHBondContact O-N 3.02Å; Q199-T201 VanDerWaalsContact C-N 3.31Å; Q199-T201 PolarHBondContact O-N 3.44Å; Q199-Q202 CarbonylContact O-C 3.58Å; Q199-Q202 WeakPolarHBondContact O-CA 3.48Å; Q199-Q202 WeakPolarHBondContact O-CB 3.26Å; Q199-Q202 PolarHBondContact O-N 3.29Å; Q199-D203 PolarHBondContact NE2-OD1 2.84Å; Q199-D203 VanDerWaalsContact O-CG 3.24Å; Q199-D203 PolarHBondContact O-N 3.02Å
200	G	94.1	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-39.5	176.9	0	0	0	0	0	113	H158 D196 F197 I198 Q202 D203 F204	H158-G200 PolarHBondContact CE1-N 2.92Å; D196-G200 PolarHBondContact O-N 3.42Å; F197-G200 PolarHBondContact O-N 2.83Å; F197-G200 VanDerWaalsContact O-N 3.13Å; I198-G200 VanDerWaalsContact C-N 3.3Å; I198-G200 PolarHBondContact O-N 3.44Å; G200-Q202 PolarHBondContact O-N 2.89Å; G200-D203 PolarHBondContact O-N 3.01Å; G200-F204 PolarHBondContact O-N 2.86Å
201	T	94.1	Very high	94.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-30.5	173.9	68.5	0	0	0	0	112.6	V183 F197 I198 Q199 S205 F252	V183-T201 HydrophobicContact CG1-CG2 4.07Å; F197-T201 HydrophobicContact CD1-CG2 4.35Å; F197-T201 HydrophobicContact CE1-CG2 3.8Å; F197-T201 HydrophobicContact CE2-CG2 4.24Å; F197-T201 HydrophobicContact CZ-CG2 3.73Å; F197-T201 PolarHBondContact O-N 2.83Å; I198-T201 PolarHBondContact O-N 2.95Å; I198-T201 VanDerWaalsContact O-N 3.17Å; I198-T201 PolarHBondContact O-OG1 2.85Å; Q199-T201 VanDerWaalsContact C-N 3.31Å; Q199-T201 PolarHBondContact O-N 3.44Å; T201-S205 WeakPolarHBondContact O-CB 3.46Å; T201-S205 PolarHBondContact O-N 3.11Å; T201-S205 PolarHBondContact O-OG 2.7Å; T201-F252 HydrophobicContact CG2-CE2 4.44Å
202	Q	92.4	Very high	94.5	Very high	19 Å²	19	26.7 Å²	26.7	9%	0.089	13%	0.125	C	C	.	.	H	α-helix	trans	-77.5	-36.8	177.7	-63.6	179.3	-6.9	0	0	112	S68 R69 I198 Q199 G200 F204	S68-Q202 PolarHBondContact O-NE2 3.45Å; S68-Q202 VanDerWaalsContact O-NE2 3.1Å; R69-Q202 PolarHBondContact NH2-O 3.02Å; R69-Q202 VanDerWaalsContact NH2-O 3.09Å; I198-Q202 WeakPolarHBondContact O-CG 3.43Å; I198-Q202 PolarHBondContact O-N 3.42Å; Q199-Q202 CarbonylContact O-C 3.58Å; Q199-Q202 WeakPolarHBondContact O-CA 3.48Å; Q199-Q202 WeakPolarHBondContact O-CB 3.26Å; Q199-Q202 PolarHBondContact O-N 3.29Å; G200-Q202 PolarHBondContact O-N 2.89Å; Q202-F204 PolarHBondContact O-N 2.96Å
203	D	91.9	Very high	94.6	Very high	18 Å²	18	23.6 Å²	23.6	10%	0.096	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-27.5	178.4	-64.5	-16.8	0	0	0	112.7	H158 L161 Q165 Q199 G200	H158-D203 IonicContact CE1-OD2 2.77Å; H158-D203 IonicContact CG-OD2 3.8Å; H158-D203 IonicContact ND1-OD2 3.56Å; H158-D203 PolarHBondContact ND1-OD2 3.49Å; L161-D203 HydrophobicContact CB-CB 3.97Å; Q165-D203 WeakPolarHBondContact CB-O 3.42Å; Q199-D203 PolarHBondContact NE2-OD1 2.84Å; Q199-D203 VanDerWaalsContact O-CG 3.24Å; Q199-D203 PolarHBondContact O-N 3.02Å; G200-D203 PolarHBondContact O-N 3.01Å
204	F	90.3	Very high	94.6	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-8.3	-174.5	175.1	-111	0	0	0	114.9	V115 L161 L164 Q165 G200 Q202	V115-F204 HydrophobicContact CG1-CE2 4.44Å; L161-F204 HydrophobicContact CB-CB 3.97Å; L161-F204 HydrophobicContact CD2-CB 3.52Å; L161-F204 HydrophobicContact CD2-CD1 4.46Å; L161-F204 HydrophobicContact CD2-CD2 4.2Å; L161-F204 HydrophobicContact CD2-CG 3.77Å; L161-F204 HydrophobicContact CG-CB 4.24Å; L164-F204 HydrophobicContact CB-CD2 3.95Å; L164-F204 HydrophobicContact CB-CE2 4.04Å; L164-F204 HydrophobicContact CD1-CD2 3.95Å; L164-F204 HydrophobicContact CD1-CE2 4Å; Q165-F204 PolarHBondContact OE1-O 3.24Å; G200-F204 PolarHBondContact O-N 2.86Å; Q202-F204 PolarHBondContact O-N 2.96Å
205	S	93.6	Very high	94.7	Very high	1 Å²	1	27 Å²	27	1%	0.007	13%	0.128	C	C	.	.			trans	-119.7	174.1	-178.3	64.8	0	0	0	0	112	R69 T181 T201 K207	R69-S205 PolarHBondContact NH1-O 3.03Å; R69-S205 PolarHBondContact NH2-O 3.07Å; R69-S205 PolarHBondContact NH2-OG 3.04Å; R69-S205 VanDerWaalsContact NH2-OG 3.1Å; T181-S205 WeakPolarHBondContact OG1-CA 3.16Å; T201-S205 WeakPolarHBondContact O-CB 3.46Å; T201-S205 PolarHBondContact O-N 3.11Å; T201-S205 PolarHBondContact O-OG 2.7Å; S205-K207 PolarHBondContact OG-O 2.93Å
206	D	93.6	Very high	94.8	Very high	58 Å²	58	24 Å²	24	31%	0.31	13%	0.128	S	C	.	.	S	Bend	trans	-94.1	-30.1	163.6	-59.1	-56.5	0	0	0	111.7	R69 Q165 T180 T181	R69-D206 PolarHBondContact NE-O 3.39Å; R69-D206 PolarHBondContact NH1-O 2.78Å; R69-D206 PolarHBondContact NH2-O 3.12Å; Q165-D206 PolarHBondContact NE2-OD1 3.14Å; T180-D206 WeakPolarHBondContact CA-OD2 3.42Å; T181-D206 PolarHBondContact N-OD2 2.96Å; T181-D206 WeakPolarHBondContact O-CB 3.49Å; T181-D206 PolarHBondContact O-N 2.92Å; T181-D206 PolarHBondContact OG1-N 3.44Å; T181-D206 PolarHBondContact OG1-OD2 3.34Å
207	K	95.5	Very high	94.9	Very high	84 Å²	84	26.3 Å²	26.3	37%	0.365	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.4	176.5	-60.6	179.3	-176.6	175.9	0	109.9	P66 T181 R182 V183 S205 F209	P66-K207 HydrophobicContact CB-CB 4.07Å; P66-K207 HydrophobicContact CB-CG 4.29Å; P66-K207 HydrophobicContact CG-CG 4.48Å; T181-K207 PolarHBondContact O-N 3.02Å; R182-K207 CarbonylContact C-O 3.57Å; R182-K207 VanDerWaalsContact CA-O 3.27Å; R182-K207 WeakPolarHBondContact CA-O 3.46Å; R182-K207 HydrophobicContact CG-CB 4.28Å; V183-K207 PolarHBondContact N-O 3.2Å; S205-K207 PolarHBondContact OG-O 2.93Å; K207-F209 HydrophobicContact CB-CE2 4.03Å; K207-F209 HydrophobicContact CB-CZ 4.41Å
208	S	96.1	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.7	170.4	64.2	0	0	0	0	110.1	D67 V183	D67-S208 PolarHBondContact N-O 3.1Å; D67-S208 PolarHBondContact OD2-OG 3.3Å; V183-S208 CarbonylContact O-C 3.59Å; V183-S208 VanDerWaalsContact O-CA 3.28Å; V183-S208 WeakPolarHBondContact O-CA 3.44Å
209	F	96.9	Very high	95	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	103.9	173.3	-55.8	-92.8	0	0	0	109.3	L64 P66 D67 V183 W184 A185 K207 F228 T232	L64-F209 WeakPolarHBondContact O-CE1 3.22Å; P66-F209 VanDerWaalsContact CA-CE1 3.45Å; P66-F209 HydrophobicContact CB-CD1 4.42Å; P66-F209 HydrophobicContact CB-CE1 3.85Å; P66-F209 HydrophobicContact CB-CZ 3.93Å; D67-F209 WeakPolarHBondContact OD2-CA 3.18Å; V183-F209 PolarHBondContact O-N 3.34Å; W184-F209 WeakPolarHBondContact CA-O 3.28Å; W184-F209 AromaticContact CD1-CD2 3.58Å; W184-F209 AromaticContact CD1-CG 3.81Å; W184-F209 HydrophobicContact CD2-CD2 4.35Å; W184-F209 AromaticContact CE2-CD2 3.85Å; W184-F209 HydrophobicContact CG-CB 4.32Å; W184-F209 HydrophobicContact CG-CD2 4.21Å; W184-F209 HydrophobicContact CZ2-CE2 4.39Å; W184-F209 AromaticContact NE1-CD2 3.29Å; W184-F209 VanDerWaalsContact NE1-CD2 3.29Å; W184-F209 AromaticContact NE1-CE2 3.79Å; W184-F209 AromaticContact NE1-CG 3.83Å; A185-F209 PolarHBondContact N-O 2.62Å; K207-F209 HydrophobicContact CB-CE2 4.03Å; K207-F209 HydrophobicContact CB-CZ 4.41Å; F209-F228 HydrophobicContact CB-CE1 3.8Å; F209-F228 HydrophobicContact CB-CZ 4.23Å; F209-F228 HydrophobicContact CD1-CE1 4.14Å; F209-F228 AromaticContact CD1-CZ 3.9Å; F209-F228 HydrophobicContact CD1-CZ 3.9Å; F209-F228 HydrophobicContact CG-CE1 4.13Å; F209-F228 HydrophobicContact CG-CZ 4.35Å; F209-T232 HydrophobicContact CD1-CG2 4.13Å; F209-T232 HydrophobicContact CE1-CG2 3.75Å; F209-T232 HydrophobicContact CZ-CG2 4.05Å
210	I	96.6	Very high	95.1	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.9	-178.4	-56.8	155.4	0	0	0	108.1	V56 D67 A185 L193 I198	V56-I210 HydrophobicContact CG1-CG2 3.73Å; V56-I210 WeakPolarHBondContact CG1-O 3.44Å; V56-I210 HydrophobicContact CG2-CG2 4.21Å; D67-I210 WeakPolarHBondContact OD2-CB 3.19Å; D67-I210 WeakPolarHBondContact OD2-CD1 3.46Å; D67-I210 WeakPolarHBondContact OD2-CG1 3.39Å; D67-I210 PolarHBondContact OD2-N 3.14Å; A185-I210 HydrophobicContact CB-CG1 4.17Å; A185-I210 HydrophobicContact CB-CG2 4.43Å; A185-I210 CarbonylContact O-C 3.52Å; A185-I210 VanDerWaalsContact O-CA 3.31Å; A185-I210 WeakPolarHBondContact O-CA 3.5Å; L193-I210 HydrophobicContact CD1-CG2 3.64Å; I198-I210 HydrophobicContact CB-CD1 4.13Å; I198-I210 HydrophobicContact CG1-CD1 3.95Å; I198-I210 HydrophobicContact CG2-CD1 3.63Å
211	R	97.4	Very high	95.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.6	-174.3	-62.4	-65.4	179.3	-86.3	-0	112.9	V56 E57 L59 T65 D67 A185 F186 A187 F228	V56-R211 VanDerWaalsContact CG1-CA 3.41Å; E57-R211 CarbonylContact O-C 3.57Å; E57-R211 WeakPolarHBondContact O-CA 3.45Å; L59-R211 HydrophobicContact CB-CB 3.92Å; L59-R211 HydrophobicContact CB-CG 4.46Å; L59-R211 HydrophobicContact CD1-CB 4.39Å; L59-R211 HydrophobicContact CG-CB 4.36Å; T65-R211 PolarHBondContact O-NH2 3.11Å; D67-R211 IonicContact OD1-CZ 3.65Å; D67-R211 IonicContact OD1-NH1 2.91Å; D67-R211 PolarHBondContact OD1-NH1 3.04Å; D67-R211 IonicContact OD1-NH2 3.72Å; A185-R211 PolarHBondContact O-N 2.77Å; F186-R211 CarbonylContact C-O 3.47Å; F186-R211 VanDerWaalsContact CA-O 3.29Å; F186-R211 WeakPolarHBondContact CA-O 3.31Å; F186-R211 HydrophobicContact CD1-CB 4.04Å; F186-R211 HydrophobicContact CE1-CB 4.28Å; A187-R211 PolarHBondContact N-O 2.78Å; R211-F228 HydrophobicContact CG-CE1 4.34Å; R211-F228 HydrophobicContact CG-CZ 4.24Å
212	G	97.1	Very high	95.4	Very high	5 Å²	5	40 Å²	40	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.3	173.7	0	0	0	0	0	110.5	E57 L59 A187	E57-G212 PolarHBondContact O-N 3Å; L59-G212 PolarHBondContact N-O 3.4Å; A187-G212 CarbonylContact O-C 3.55Å; A187-G212 VanDerWaalsContact O-CA 3.31Å; A187-G212 WeakPolarHBondContact O-CA 3.42Å
213	V	97.4	Very high	95.6	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.2	-175.3	-176.2	0	0	0	0	110.1	L59 F186 A187 R188 S189 F215 A221 V225	L59-V213 HydrophobicContact CB-CG2 4.05Å; L59-V213 HydrophobicContact CD1-CG2 3.82Å; F186-V213 HydrophobicContact CB-CG2 3.92Å; F186-V213 HydrophobicContact CD1-CG2 3.88Å; F186-V213 HydrophobicContact CG-CG2 4.31Å; A187-V213 PolarHBondContact O-N 3.47Å; R188-V213 CarbonylContact C-O 3.47Å; R188-V213 WeakPolarHBondContact CA-O 3.49Å; S189-V213 PolarHBondContact N-O 3.33Å; V213-F215 HydrophobicContact CB-CD1 4.47Å; V213-F215 HydrophobicContact CB-CE1 3.96Å; V213-F215 HydrophobicContact CB-CE2 4.21Å; V213-F215 HydrophobicContact CB-CZ 3.83Å; V213-F215 HydrophobicContact CG1-CD1 3.98Å; V213-F215 HydrophobicContact CG1-CE1 3.72Å; V213-F215 HydrophobicContact CG1-CZ 4.13Å; V213-F215 HydrophobicContact CG2-CZ 4.48Å; V213-F215 PolarHBondContact O-N 2.89Å; V213-A221 HydrophobicContact CG1-CB 3.7Å; V213-V225 HydrophobicContact CG1-CG2 4.15Å; V213-V225 HydrophobicContact CG2-CG2 3.95Å
214	D	96.6	Very high	95.9	Very high	72 Å²	72	46 Å²	46	39%	0.385	24%	0.235	S	C	.	.			trans	-81.6	94	170.9	179.4	10.2	0	0	0	110.1	S216	D214-S216 VanDerWaalsContact CG-OG 3.3Å; D214-S216 PolarHBondContact O-N 2.83Å; D214-S216 VanDerWaalsContact OD1-CB 3.26Å; D214-S216 WeakPolarHBondContact OD1-CB 3.35Å; D214-S216 PolarHBondContact OD1-N 2.79Å; D214-S216 PolarHBondContact OD1-OG 2.94Å; D214-S216 PolarHBondContact OD2-OG 2.86Å
215	F	97.1	Very high	96.2	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-72.7	-13.1	178.9	-65.9	-61.4	0	0	0	113.9	F186 R188 V213 K217 H218 A221 L244 P246 S248 L251	F186-F215 HydrophobicContact CB-CZ 4.28Å; R188-F215 HydrophobicContact CB-CD2 4.06Å; R188-F215 HydrophobicContact CB-CE2 4.37Å; R188-F215 HydrophobicContact CG-CD2 4.35Å; V213-F215 HydrophobicContact CB-CD1 4.47Å; V213-F215 HydrophobicContact CB-CE1 3.96Å; V213-F215 HydrophobicContact CB-CE2 4.21Å; V213-F215 HydrophobicContact CB-CZ 3.83Å; V213-F215 HydrophobicContact CG1-CD1 3.98Å; V213-F215 HydrophobicContact CG1-CE1 3.72Å; V213-F215 HydrophobicContact CG1-CZ 4.13Å; V213-F215 HydrophobicContact CG2-CZ 4.48Å; V213-F215 PolarHBondContact O-N 2.89Å; F215-K217 PolarHBondContact O-N 2.82Å; F215-K217 VanDerWaalsContact O-N 3.1Å; F215-H218 WeakPolarHBondContact O-CA 3.23Å; F215-H218 WeakPolarHBondContact O-CB 3.49Å; F215-H218 PolarHBondContact O-N 2.84Å; F215-A221 HydrophobicContact CD1-CB 4.03Å; F215-L244 HydrophobicContact CD1-CD1 4.29Å; F215-L244 HydrophobicContact CE1-CD1 4.15Å; F215-P246 VanDerWaalsContact O-CA 3.28Å; F215-P246 WeakPolarHBondContact O-CA 3.33Å; F215-S248 WeakPolarHBondContact CD2-O 3.25Å; F215-L251 HydrophobicContact CE1-CD1 3.56Å; F215-L251 HydrophobicContact CE1-CG 4.03Å; F215-L251 HydrophobicContact CZ-CD1 3.79Å; F215-L251 HydrophobicContact CZ-CG 3.8Å
216	S	95.8	Very high	96.4	Very high	74 Å²	74	46.4 Å²	46.4	52%	0.517	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-58.6	-29.3	179.1	73.4	0	0	0	0	112	D214	D214-S216 VanDerWaalsContact CG-OG 3.3Å; D214-S216 PolarHBondContact O-N 2.83Å; D214-S216 VanDerWaalsContact OD1-CB 3.26Å; D214-S216 WeakPolarHBondContact OD1-CB 3.35Å; D214-S216 PolarHBondContact OD1-N 2.79Å; D214-S216 PolarHBondContact OD1-OG 2.94Å; D214-S216 PolarHBondContact OD2-OG 2.86Å
217	K	94.2	Very high	96.6	Very high	115 Å²	115	45.6 Å²	45.6	50%	0.5	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-99.3	56.3	170	-55	-176.5	-170.3	171.4	0	111.6	F215 E219 E220 A221	F215-K217 PolarHBondContact O-N 2.82Å; F215-K217 VanDerWaalsContact O-N 3.1Å; K217-E219 VanDerWaalsContact C-N 3.31Å; K217-E219 PolarHBondContact O-N 2.75Å; K217-E219 VanDerWaalsContact O-N 3.09Å; K217-E220 HydrophobicContact CB-CB 4.14Å; K217-E220 WeakPolarHBondContact CD-OE2 3.34Å; K217-E220 IonicContact NZ-OE2 2.72Å; K217-E220 WeakPolarHBondContact O-CB 3.28Å; K217-E220 PolarHBondContact O-N 3.14Å; K217-A221 PolarHBondContact O-N 3.27Å
218	H	94.5	Very high	96.7	Very high	64 Å²	64	41.6 Å²	41.6	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-48	-38	-171.2	61.5	-68.2	0	0	0	116.7	F215 A221 E222 L244 P246	F215-H218 WeakPolarHBondContact O-CA 3.23Å; F215-H218 WeakPolarHBondContact O-CB 3.49Å; F215-H218 PolarHBondContact O-N 2.84Å; H218-A221 PolarHBondContact O-N 3.21Å; H218-E222 WeakPolarHBondContact O-CB 3.16Å; H218-E222 PolarHBondContact O-N 3.23Å; H218-L244 HydrophobicContact CB-CB 4.18Å; H218-L244 PolarHBondContact CD2-O 3.36Å; H218-P246 HydrophobicContact CB-CG 4.47Å; H218-P246 WeakPolarHBondContact ND1-CG 3.44Å
219	E	96	Very high	96.8	Very high	150 Å²	150	41.7 Å²	41.7	70%	0.701	22%	0.219	S	C	*	.	H	α-helix	trans	-66.7	-41	176.1	-64.1	-176.3	166	0	0	112.7	K217 T223	K217-E219 VanDerWaalsContact C-N 3.31Å; K217-E219 PolarHBondContact O-N 2.75Å; K217-E219 VanDerWaalsContact O-N 3.09Å; E219-T223 PolarHBondContact O-N 2.73Å; E219-T223 PolarHBondContact O-OG1 3.38Å; E219-T223 VanDerWaalsContact O-OG1 3.05Å
220	E	96.1	Very high	96.8	Very high	102 Å²	102	45.4 Å²	45.4	48%	0.477	24%	0.237	S	C	.	.	H	α-helix	trans	-68.2	-44.6	174.8	-173.1	-178.5	174.2	0	0	110.1	K217 E222 T223 L224	K217-E220 HydrophobicContact CB-CB 4.14Å; K217-E220 WeakPolarHBondContact CD-OE2 3.34Å; K217-E220 IonicContact NZ-OE2 2.72Å; K217-E220 WeakPolarHBondContact O-CB 3.28Å; K217-E220 PolarHBondContact O-N 3.14Å; E220-E222 VanDerWaalsContact C-N 3.31Å; E220-E222 PolarHBondContact O-N 2.74Å; E220-T223 PolarHBondContact O-N 3.07Å; E220-L224 HydrophobicContact CG-CD1 3.99Å; E220-L224 HydrophobicContact CG-CG 4.41Å; E220-L224 WeakPolarHBondContact O-CB 3.49Å; E220-L224 VanDerWaalsContact O-CG 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.88Å
221	A	97	Very high	96.8	Very high	2 Å²	2	49 Å²	49	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-42.3	175.8	0	0	0	0	0	112.1	V213 F215 K217 H218 L224 V225 L244	V213-A221 HydrophobicContact CG1-CB 3.7Å; F215-A221 HydrophobicContact CD1-CB 4.03Å; K217-A221 PolarHBondContact O-N 3.27Å; H218-A221 PolarHBondContact O-N 3.21Å; A221-L224 PolarHBondContact O-N 3.47Å; A221-V225 VanDerWaalsContact O-CB 3.3Å; A221-V225 WeakPolarHBondContact O-CB 3.31Å; A221-V225 VanDerWaalsContact O-CG2 3.24Å; A221-V225 WeakPolarHBondContact O-CG2 3.45Å; A221-V225 PolarHBondContact O-N 2.91Å; A221-L244 HydrophobicContact CB-CD1 4.34Å
222	E	97.5	Very high	96.7	Very high	46 Å²	46	49.2 Å²	49.2	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-44.4	177.4	-174.7	169.2	124.8	0	0	111.4	H218 E220 N226 F241 K242 G243 L244	H218-E222 WeakPolarHBondContact O-CB 3.16Å; H218-E222 PolarHBondContact O-N 3.23Å; E220-E222 VanDerWaalsContact C-N 3.31Å; E220-E222 PolarHBondContact O-N 2.74Å; E222-N226 WeakPolarHBondContact O-CB 3.43Å; E222-N226 PolarHBondContact O-N 3.3Å; E222-N226 PolarHBondContact O-ND2 3.37Å; E222-F241 WeakPolarHBondContact CG-O 3.15Å; E222-K242 WeakPolarHBondContact OE2-CA 3.4Å; E222-G243 PolarHBondContact OE2-N 3.1Å; E222-L244 HydrophobicContact CB-CB 4.47Å; E222-L244 HydrophobicContact CB-CD1 3.81Å; E222-L244 HydrophobicContact CB-CG 3.96Å; E222-L244 HydrophobicContact CG-CD1 4.42Å; E222-L244 HydrophobicContact CG-CG 4.23Å; E222-L244 PolarHBondContact OE2-N 2.98Å
223	T	96.9	Very high	96.6	Very high	100 Å²	100	49.1 Å²	49.1	61%	0.613	25%	0.252	S	S	*	.	H	α-helix	trans	-63	-47.2	176.9	-57.4	0	0	0	0	111.2	E219 E220 S227	E219-T223 PolarHBondContact O-N 2.73Å; E219-T223 PolarHBondContact O-OG1 3.38Å; E219-T223 VanDerWaalsContact O-OG1 3.05Å; E220-T223 PolarHBondContact O-N 3.07Å; T223-S227 VanDerWaalsContact O-CB 3.26Å; T223-S227 WeakPolarHBondContact O-CB 3.26Å; T223-S227 PolarHBondContact O-N 3.38Å
224	L	97	Very high	96.3	Very high	63 Å²	63	54.3 Å²	54.3	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-48.5	-178.8	-72.9	172.5	0	0	0	112.2	L59 V61 E220 A221 S227 F228	L59-L224 HydrophobicContact CD2-CB 4.02Å; V61-L224 HydrophobicContact CG2-CD2 3.71Å; E220-L224 HydrophobicContact CG-CD1 3.99Å; E220-L224 HydrophobicContact CG-CG 4.41Å; E220-L224 WeakPolarHBondContact O-CB 3.49Å; E220-L224 VanDerWaalsContact O-CG 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.88Å; A221-L224 PolarHBondContact O-N 3.47Å; L224-S227 PolarHBondContact O-N 3.21Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 PolarHBondContact O-N 3.1Å
225	V	97.6	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-47.3	179.9	168.7	0	0	0	0	110.5	L59 F186 V213 A221 F228 V229 F241 L251	L59-V225 HydrophobicContact CD1-CG2 4.01Å; F186-V225 HydrophobicContact CD1-CG1 4.4Å; F186-V225 HydrophobicContact CD1-CG2 4.06Å; F186-V225 HydrophobicContact CD2-CG1 3.7Å; F186-V225 HydrophobicContact CE1-CG1 4.28Å; F186-V225 HydrophobicContact CE1-CG2 4.4Å; F186-V225 HydrophobicContact CE2-CG1 3.55Å; F186-V225 HydrophobicContact CG-CG1 4.13Å; F186-V225 HydrophobicContact CG-CG2 4.11Å; F186-V225 HydrophobicContact CZ-CG1 3.86Å; V213-V225 HydrophobicContact CG1-CG2 4.15Å; V213-V225 HydrophobicContact CG2-CG2 3.95Å; A221-V225 VanDerWaalsContact O-CB 3.3Å; A221-V225 WeakPolarHBondContact O-CB 3.31Å; A221-V225 VanDerWaalsContact O-CG2 3.24Å; A221-V225 WeakPolarHBondContact O-CG2 3.45Å; A221-V225 PolarHBondContact O-N 2.91Å; V225-F228 PolarHBondContact O-N 2.96Å; V225-V229 WeakPolarHBondContact O-CG2 3.29Å; V225-V229 PolarHBondContact O-N 3.09Å; V225-F241 HydrophobicContact CG1-CD2 3.43Å; V225-F241 VanDerWaalsContact CG1-CD2 3.43Å; V225-F241 HydrophobicContact CG1-CE2 3.78Å; V225-F241 HydrophobicContact CG1-CG 4.26Å; V225-L251 HydrophobicContact CG1-CD1 4.47Å
226	N	97.6	Very high	95.8	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-40.7	178.8	-76.7	-48.8	0	0	0	112.1	E222 F228 V229 E230 N239 V240 F241	E222-N226 WeakPolarHBondContact O-CB 3.43Å; E222-N226 PolarHBondContact O-N 3.3Å; E222-N226 PolarHBondContact O-ND2 3.37Å; N226-F228 VanDerWaalsContact C-N 3.34Å; N226-F228 PolarHBondContact O-N 2.92Å; N226-V229 PolarHBondContact O-N 2.62Å; N226-E230 WeakPolarHBondContact O-CB 3.39Å; N226-E230 PolarHBondContact O-N 3.44Å; N226-N239 WeakPolarHBondContact OD1-CA 3.4Å; N226-V240 PolarHBondContact OD1-N 3.09Å; N226-F241 PolarHBondContact ND2-O 3.09Å; N226-F241 PolarHBondContact OD1-N 3.35Å
227	S	97.3	Very high	95.6	Very high	41 Å²	41	53.6 Å²	53.6	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-42.1	175.9	-171.7	0	0	0	0	111.9	T223 L224 E230 K231	T223-S227 VanDerWaalsContact O-CB 3.26Å; T223-S227 WeakPolarHBondContact O-CB 3.26Å; T223-S227 PolarHBondContact O-N 3.38Å; L224-S227 PolarHBondContact O-N 3.21Å; S227-E230 PolarHBondContact O-N 2.8Å; S227-K231 WeakPolarHBondContact O-CG 3.35Å; S227-K231 PolarHBondContact O-N 3.25Å
228	F	98	Very high	95.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-46.5	177.4	-176.9	-96.3	0	0	0	112	L59 V63 L64 W184 F186 F209 R211 L224 V225 N226 E230 K231 T232	L59-F228 HydrophobicContact CD1-CB 4.22Å; L59-F228 HydrophobicContact CD1-CG 4.34Å; L59-F228 HydrophobicContact CD2-CB 4.48Å; L59-F228 HydrophobicContact CG-CG 4.46Å; V63-F228 WeakPolarHBondContact O-CE2 3.47Å; L64-F228 HydrophobicContact CD2-CD2 4.19Å; L64-F228 HydrophobicContact CD2-CE2 4.17Å; W184-F228 AromaticContact CD1-CE1 3.95Å; F186-F228 AromaticContact CE1-CD1 3.87Å; F186-F228 HydrophobicContact CE1-CD1 3.87Å; F186-F228 HydrophobicContact CE1-CE1 4.33Å; F186-F228 AromaticContact CZ-CD1 3.94Å; F186-F228 HydrophobicContact CZ-CD1 3.94Å; F186-F228 HydrophobicContact CZ-CE1 4.5Å; F209-F228 HydrophobicContact CB-CE1 3.8Å; F209-F228 HydrophobicContact CB-CZ 4.23Å; F209-F228 HydrophobicContact CD1-CE1 4.14Å; F209-F228 AromaticContact CD1-CZ 3.9Å; F209-F228 HydrophobicContact CD1-CZ 3.9Å; F209-F228 HydrophobicContact CG-CE1 4.13Å; F209-F228 HydrophobicContact CG-CZ 4.35Å; R211-F228 HydrophobicContact CG-CE1 4.34Å; R211-F228 HydrophobicContact CG-CZ 4.24Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 PolarHBondContact O-N 3.1Å; V225-F228 PolarHBondContact O-N 2.96Å; N226-F228 VanDerWaalsContact C-N 3.34Å; N226-F228 PolarHBondContact O-N 2.92Å; F228-E230 VanDerWaalsContact C-N 3.33Å; F228-E230 PolarHBondContact O-N 3.36Å; F228-K231 PolarHBondContact O-N 3.21Å; F228-T232 HydrophobicContact CD1-CG2 4.41Å; F228-T232 HydrophobicContact CD2-CG2 4.43Å; F228-T232 HydrophobicContact CE1-CG2 4.03Å; F228-T232 HydrophobicContact CE2-CG2 4.05Å; F228-T232 HydrophobicContact CZ-CG2 3.84Å; F228-T232 WeakPolarHBondContact O-CB 3.28Å; F228-T232 WeakPolarHBondContact O-CG2 3.24Å; F228-T232 PolarHBondContact O-N 3.41Å; F228-T232 PolarHBondContact O-OG1 3.16Å
229	V	97.7	Very high	95.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-42.7	176	171.2	0	0	0	0	110.9	W184 F186 V225 N226 T232 S233 L237 F241	W184-V229 HydrophobicContact CB-CG2 4.42Å; W184-V229 HydrophobicContact CD2-CG2 4.5Å; W184-V229 HydrophobicContact CG-CG2 4.11Å; F186-V229 HydrophobicContact CE2-CG2 3.85Å; F186-V229 HydrophobicContact CZ-CG2 3.73Å; V225-V229 WeakPolarHBondContact O-CG2 3.29Å; V225-V229 PolarHBondContact O-N 3.09Å; N226-V229 PolarHBondContact O-N 2.62Å; V229-T232 PolarHBondContact O-N 3.26Å; V229-T232 PolarHBondContact O-OG1 3.27Å; V229-S233 WeakPolarHBondContact O-CB 3.44Å; V229-S233 PolarHBondContact O-N 3.38Å; V229-S233 PolarHBondContact O-OG 3.08Å; V229-L237 HydrophobicContact CG1-CB 3.78Å; V229-L237 HydrophobicContact CG1-CD1 4.17Å; V229-F241 HydrophobicContact CG2-CE2 4.33Å
230	E	96.9	Very high	95.3	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.393	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-51	176.9	-176.9	175.1	-168	0	0	111.7	N226 S227 F228 T232 S233 D234 G235 L237 T238	N226-E230 WeakPolarHBondContact O-CB 3.39Å; N226-E230 PolarHBondContact O-N 3.44Å; S227-E230 PolarHBondContact O-N 2.8Å; F228-E230 VanDerWaalsContact C-N 3.33Å; F228-E230 PolarHBondContact O-N 3.36Å; E230-T232 PolarHBondContact O-N 2.76Å; E230-S233 PolarHBondContact O-N 3.43Å; E230-S233 PolarHBondContact O-OG 3.24Å; E230-S233 VanDerWaalsContact O-OG 3.07Å; E230-D234 PolarHBondContact O-N 2.9Å; E230-G235 WeakPolarHBondContact O-CA 3.45Å; E230-G235 PolarHBondContact O-N 3.16Å; E230-L237 WeakPolarHBondContact CA-O 3.44Å; E230-L237 WeakPolarHBondContact CB-O 3.13Å; E230-T238 HydrophobicContact CG-CG2 3.99Å
231	K	96.6	Very high	95.2	Very high	85 Å²	85	42 Å²	42	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-42.3	178.9	-73.7	-177.1	179	-168	0	112.6	V61 E62 L64 S227 F228	V61-K231 HydrophobicContact CG1-CD 3.74Å; V61-K231 PolarHBondContact O-NZ 3.1Å; E62-K231 IonicContact OE1-NZ 2.85Å; E62-K231 PolarHBondContact OE1-NZ 2.79Å; L64-K231 HydrophobicContact CD1-CB 4.09Å; L64-K231 HydrophobicContact CD1-CD 4.29Å; L64-K231 HydrophobicContact CD2-CB 3.76Å; L64-K231 HydrophobicContact CD2-CD 4.01Å; S227-K231 WeakPolarHBondContact O-CG 3.35Å; S227-K231 PolarHBondContact O-N 3.25Å; F228-K231 PolarHBondContact O-N 3.21Å
232	T	96	Very high	95.1	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-85.2	-8.5	-177.6	54.2	0	0	0	0	114.1	L64 R182 W184 F209 F228 V229 E230	L64-T232 HydrophobicContact CB-CG2 4.14Å; L64-T232 HydrophobicContact CD2-CG2 3.79Å; R182-T232 PolarHBondContact NH1-O 2.95Å; W184-T232 PolarHBondContact NE1-OG1 3.2Å; F209-T232 HydrophobicContact CD1-CG2 4.13Å; F209-T232 HydrophobicContact CE1-CG2 3.75Å; F209-T232 HydrophobicContact CZ-CG2 4.05Å; F228-T232 HydrophobicContact CD1-CG2 4.41Å; F228-T232 HydrophobicContact CD2-CG2 4.43Å; F228-T232 HydrophobicContact CE1-CG2 4.03Å; F228-T232 HydrophobicContact CE2-CG2 4.05Å; F228-T232 HydrophobicContact CZ-CG2 3.84Å; F228-T232 WeakPolarHBondContact O-CB 3.28Å; F228-T232 WeakPolarHBondContact O-CG2 3.24Å; F228-T232 PolarHBondContact O-N 3.41Å; F228-T232 PolarHBondContact O-OG1 3.16Å; V229-T232 PolarHBondContact O-N 3.26Å; V229-T232 PolarHBondContact O-OG1 3.27Å; E230-T232 PolarHBondContact O-N 2.76Å
233	S	94.1	Very high	94.9	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	10.2	172.5	67.1	0	0	0	0	113.3	V229 E230 G235 K236 L237	V229-S233 WeakPolarHBondContact O-CB 3.44Å; V229-S233 PolarHBondContact O-N 3.38Å; V229-S233 PolarHBondContact O-OG 3.08Å; E230-S233 PolarHBondContact O-N 3.43Å; E230-S233 PolarHBondContact O-OG 3.24Å; E230-S233 VanDerWaalsContact O-OG 3.07Å; S233-G235 PolarHBondContact O-N 3.05Å; S233-K236 VanDerWaalsContact O-CB 3.27Å; S233-K236 WeakPolarHBondContact O-CB 3.43Å; S233-K236 WeakPolarHBondContact O-CG 3.35Å; S233-K236 PolarHBondContact O-N 3.45Å; S233-K236 PolarHBondContact OG-N 3.09Å; S233-L237 WeakPolarHBondContact OG-CB 3.31Å; S233-L237 PolarHBondContact OG-N 3.37Å; S233-L237 VanDerWaalsContact OG-N 3.07Å
234	D	92	Very high	94.8	Very high	114 Å²	114	44 Å²	44	61%	0.61	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	33.3	-175	-45.7	-58.2	0	0	0	112.2	R182 E230 K236	R182-D234 IonicContact CZ-OD2 2.8Å; R182-D234 VanDerWaalsContact CZ-OD2 3.31Å; R182-D234 IonicContact NH1-OD2 2.95Å; R182-D234 PolarHBondContact NH1-OD2 3.48Å; R182-D234 IonicContact NH2-OD2 2.99Å; R182-D234 PolarHBondContact NH2-OD2 3.49Å; E230-D234 PolarHBondContact O-N 2.9Å; D234-K236 PolarHBondContact O-N 2.77Å
235	G	92.6	Very high	94.7	Very high	41 Å²	41	44.9 Å²	44.9	42%	0.423	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	2.4	-177.9	0	0	0	0	0	114.9	E230 S233	E230-G235 WeakPolarHBondContact O-CA 3.45Å; E230-G235 PolarHBondContact O-N 3.16Å; S233-G235 PolarHBondContact O-N 3.05Å
236	K	90.5	Very high	94.6	Very high	87 Å²	87	48 Å²	48	38%	0.378	28%	0.276	S	S	.	.			trans	-75.1	-23.7	-175.7	-67.6	-177.8	168.1	-164.6	0	113.6	S233 D234 M409 E411	S233-K236 VanDerWaalsContact O-CB 3.27Å; S233-K236 WeakPolarHBondContact O-CB 3.43Å; S233-K236 WeakPolarHBondContact O-CG 3.35Å; S233-K236 PolarHBondContact O-N 3.45Å; S233-K236 PolarHBondContact OG-N 3.09Å; D234-K236 PolarHBondContact O-N 2.77Å; K236-M409 HydrophobicContact CB-CE 3.84Å; K236-M409 HydrophobicContact CB-SD 3.74Å; K236-M409 HydrophobicContact CD-CE 3.7Å; K236-M409 HydrophobicContact CD-SD 3.88Å; K236-M409 HydrophobicContact CG-CE 3.9Å; K236-M409 HydrophobicContact CG-SD 4.26Å; K236-E411 IonicContact NZ-OE1 3.29Å; K236-E411 PolarHBondContact NZ-OE1 3.13Å
237	L	92.3	Very high	94.4	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	30%	0.299	C	S	.	.			trans	-118.3	119.4	179.4	-74.3	171.7	0	0	0	110.9	W184 V229 E230 S233 V240 I253 V365 N407	W184-L237 HydrophobicContact CH2-CD1 3.87Å; W184-L237 HydrophobicContact CZ3-CD1 3.83Å; V229-L237 HydrophobicContact CG1-CB 3.78Å; V229-L237 HydrophobicContact CG1-CD1 4.17Å; E230-L237 WeakPolarHBondContact CA-O 3.44Å; E230-L237 WeakPolarHBondContact CB-O 3.13Å; S233-L237 WeakPolarHBondContact OG-CB 3.31Å; S233-L237 PolarHBondContact OG-N 3.37Å; S233-L237 VanDerWaalsContact OG-N 3.07Å; L237-V240 HydrophobicContact CB-CG2 4.2Å; L237-V240 HydrophobicContact CD2-CG2 4.04Å; L237-I253 HydrophobicContact CD1-CD1 4.03Å; L237-V365 HydrophobicContact CD2-CG2 4.48Å; L237-N407 HydrophobicContact CD1-CB 4.17Å; L237-N407 HydrophobicContact CD2-CB 3.67Å; L237-N407 WeakPolarHBondContact CD2-ND2 3.46Å; L237-N407 VanDerWaalsContact CD2-OD1 3.3Å; L237-N407 WeakPolarHBondContact CD2-OD1 3.09Å; L237-N407 HydrophobicContact CG-CB 4.48Å
238	T	92.1	Very high	94.3	Very high	84 Å²	84	49.3 Å²	49.3	52%	0.515	29%	0.286	S	S	.	.			trans	-128	136.9	-178.9	60.2	0	0	0	0	110.9	E230 V240	E230-T238 HydrophobicContact CG-CG2 3.99Å; T238-V240 VanDerWaalsContact C-N 3.33Å; T238-V240 PolarHBondContact O-N 3.38Å
239	N	91.6	Very high	94.2	Very high	84 Å²	84	50.3 Å²	50.3	45%	0.449	29%	0.291	S	S	.	.	S	Bend	trans	49.4	47.2	170.8	-162.5	13	0	0	0	114.3	N226 K242	N226-N239 WeakPolarHBondContact OD1-CA 3.4Å; N239-K242 WeakPolarHBondContact ND2-CE 3.48Å; N239-K242 WeakPolarHBondContact O-CE 3.49Å
240	V	93.1	Very high	94.2	Very high	18 Å²	18	50.2 Å²	50.2	11%	0.109	29%	0.291	C	S	.	.			trans	-78.7	-40	-174.9	-178.1	0	0	0	0	111.5	N226 L237 T238 I253 V365 M405	N226-V240 PolarHBondContact OD1-N 3.09Å; L237-V240 HydrophobicContact CB-CG2 4.2Å; L237-V240 HydrophobicContact CD2-CG2 4.04Å; T238-V240 VanDerWaalsContact C-N 3.33Å; T238-V240 PolarHBondContact O-N 3.38Å; V240-I253 HydrophobicContact CB-CD1 4.16Å; V240-I253 HydrophobicContact CG1-CD1 3.59Å; V240-I253 HydrophobicContact CG2-CD1 4.07Å; V240-V365 HydrophobicContact CG1-CG1 3.85Å; V240-M405 HydrophobicContact CG1-CB 4.17Å; V240-M405 HydrophobicContact CG1-CG 4Å
241	F	95.1	Very high	94.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.			trans	-90.9	127.9	177.6	-62.9	-72.6	0	0	0	110	F186 E222 V225 N226 V229 L244 L251 I253 K403 M405	F186-F241 HydrophobicContact CD2-CE2 4.21Å; F186-F241 HydrophobicContact CD2-CZ 4.45Å; F186-F241 AromaticContact CE2-CE2 3.94Å; F186-F241 HydrophobicContact CE2-CE2 3.94Å; F186-F241 HydrophobicContact CE2-CZ 4.47Å; E222-F241 WeakPolarHBondContact CG-O 3.15Å; V225-F241 HydrophobicContact CG1-CD2 3.43Å; V225-F241 VanDerWaalsContact CG1-CD2 3.43Å; V225-F241 HydrophobicContact CG1-CE2 3.78Å; V225-F241 HydrophobicContact CG1-CG 4.26Å; N226-F241 PolarHBondContact ND2-O 3.09Å; N226-F241 PolarHBondContact OD1-N 3.35Å; V229-F241 HydrophobicContact CG2-CE2 4.33Å; F241-L244 HydrophobicContact CB-CD2 4.22Å; F241-L251 HydrophobicContact CD1-CB 4.2Å; F241-L251 HydrophobicContact CD1-CD1 4.25Å; F241-L251 HydrophobicContact CE1-CB 3.76Å; F241-L251 HydrophobicContact CG-CD1 4.35Å; F241-L251 HydrophobicContact CZ-CB 4.04Å; F241-I253 HydrophobicContact CE2-CB 4.41Å; F241-I253 HydrophobicContact CE2-CG2 3.81Å; F241-I253 HydrophobicContact CZ-CB 3.87Å; F241-I253 HydrophobicContact CZ-CG2 3.66Å; F241-K403 HydrophobicContact CD1-CB 3.84Å; F241-K403 HydrophobicContact CD1-CG 4.24Å; F241-K403 HydrophobicContact CE1-CB 3.88Å; F241-M405 HydrophobicContact CE1-CG 4.18Å
242	K	94.1	Very high	94.3	Very high	119 Å²	119	42.2 Å²	42.2	52%	0.517	26%	0.255	S	S	.	.			trans	-138.6	144.8	-179.8	-64	-179.1	-174.8	176.3	0	111	E222 N239 K403	E222-K242 WeakPolarHBondContact OE2-CA 3.4Å; N239-K242 WeakPolarHBondContact ND2-CE 3.48Å; N239-K242 WeakPolarHBondContact O-CE 3.49Å; K242-K403 WeakPolarHBondContact O-CE 3.41Å; K242-K403 PolarHBondContact O-NZ 2.86Å
243	G	93.6	Very high	94.5	Very high	63 Å²	63	41.7 Å²	41.7	65%	0.649	25%	0.252	S	S	*	.	S	Bend	trans	64.7	47.8	177.2	0	0	0	0	0	112	E222	E222-G243 PolarHBondContact OE2-N 3.1Å
244	L	95	Very high	94.6	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	25%	0.251	C	S	.	.			trans	-63	148.6	174.6	-62.3	-167.5	0	0	0	111.7	F215 H218 A221 E222 F241 L251 K403	F215-L244 HydrophobicContact CD1-CD1 4.29Å; F215-L244 HydrophobicContact CE1-CD1 4.15Å; H218-L244 HydrophobicContact CB-CB 4.18Å; H218-L244 PolarHBondContact CD2-O 3.36Å; A221-L244 HydrophobicContact CB-CD1 4.34Å; E222-L244 HydrophobicContact CB-CB 4.47Å; E222-L244 HydrophobicContact CB-CD1 3.81Å; E222-L244 HydrophobicContact CB-CG 3.96Å; E222-L244 HydrophobicContact CG-CD1 4.42Å; E222-L244 HydrophobicContact CG-CG 4.23Å; E222-L244 PolarHBondContact OE2-N 2.98Å; F241-L244 HydrophobicContact CB-CD2 4.22Å; L244-L251 HydrophobicContact CD1-CD1 3.84Å; L244-L251 HydrophobicContact CD2-CD1 3.66Å; L244-L251 HydrophobicContact CD2-CD2 3.79Å; L244-L251 HydrophobicContact CD2-CG 4.41Å; L244-L251 HydrophobicContact CG-CD1 4.44Å; L244-K403 HydrophobicContact CD2-CG 4.49Å
245	N	94.1	Very high	94.9	Very high	81 Å²	81	36.6 Å²	36.6	43%	0.433	23%	0.225	S	C	.	.			trans	-108.5	143.6	180	-171.1	-59.4	0	0	0	111	S247 S248	N245-S247 PolarHBondContact O-N 3.33Å; N245-S247 PolarHBondContact OD1-N 2.95Å; N245-S247 PolarHBondContact OD1-OG 3.09Å; N245-S248 PolarHBondContact N-OG 3.45Å; N245-S248 VanDerWaalsContact N-OG 3.13Å; N245-S248 WeakPolarHBondContact O-CB 3.19Å; N245-S248 PolarHBondContact O-N 3.44Å; N245-S248 PolarHBondContact O-OG 3.05Å
246	P	95.6	Very high	95.2	Very high	65 Å²	65	34.7 Å²	34.7	42%	0.422	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.2	170.8	-30	34.4	0	0	0	116.2	F215 H218	F215-P246 VanDerWaalsContact O-CA 3.28Å; F215-P246 WeakPolarHBondContact O-CA 3.33Å; H218-P246 HydrophobicContact CB-CG 4.47Å; H218-P246 WeakPolarHBondContact ND1-CG 3.44Å
247	S	94.3	Very high	95.4	Very high	79 Å²	79	31.1 Å²	31.1	55%	0.552	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.5	-178.8	61.7	0	0	0	0	114.4	N245 N249	N245-S247 PolarHBondContact O-N 3.33Å; N245-S247 PolarHBondContact OD1-N 2.95Å; N245-S247 PolarHBondContact OD1-OG 3.09Å; S247-N249 PolarHBondContact O-N 2.78Å
248	S	95.3	Very high	95.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	19%	0.19	C	C	.	.			trans	-59.9	139	177	-49.5	0	0	0	0	110.2	F215 N245	F215-S248 WeakPolarHBondContact CD2-O 3.25Å; N245-S248 PolarHBondContact N-OG 3.45Å; N245-S248 VanDerWaalsContact N-OG 3.13Å; N245-S248 WeakPolarHBondContact O-CB 3.19Å; N245-S248 PolarHBondContact O-N 3.44Å; N245-S248 PolarHBondContact O-OG 3.05Å
249	N	95.8	Very high	95.6	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.112	18%	0.182	C	C	.	.			trans	-105.3	-40.8	177.7	-73.6	-54.8	0	0	0	112	A187 R188 S247 F399 S400 D402	A187-N249 CarbonylContact C-O 3.19Å; A187-N249 WeakPolarHBondContact CA-O 3.47Å; R188-N249 PolarHBondContact N-O 2.64Å; R188-N249 PolarHBondContact NE-OD1 3.3Å; S247-N249 PolarHBondContact O-N 2.78Å; N249-F399 HydrophobicContact CB-CD2 3.9Å; N249-F399 HydrophobicContact CB-CE2 3.8Å; N249-F399 HydrophobicContact CB-CG 4.32Å; N249-F399 HydrophobicContact CB-CZ 4.13Å; N249-F399 WeakPolarHBondContact O-CZ 3.44Å; N249-S400 WeakPolarHBondContact CB-O 3.42Å; N249-S400 PolarHBondContact ND2-OG 3.33Å; N249-D402 WeakPolarHBondContact CA-OD2 3.4Å; N249-D402 PolarHBondContact N-OD2 3.08Å
250	F	97.7	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	129.8	-169.6	-165.1	-106.9	0	0	0	113.4	F124 A185 F186 A187 L193 F197 F252 L393 F399 S400 V401 D402	F124-F250 HydrophobicContact CE1-CE1 4.33Å; A185-F250 HydrophobicContact CB-CE2 4.01Å; A185-F250 HydrophobicContact CB-CZ 3.73Å; F186-F250 CarbonylContact O-C 3.54Å; F186-F250 VanDerWaalsContact O-CA 3.31Å; F186-F250 WeakPolarHBondContact O-CA 3.31Å; A187-F250 HydrophobicContact CB-CD2 4.04Å; A187-F250 HydrophobicContact CB-CE2 4.42Å; L193-F250 HydrophobicContact CD1-CE2 4.05Å; L193-F250 HydrophobicContact CD2-CD2 4.39Å; L193-F250 HydrophobicContact CD2-CE2 4.21Å; F197-F250 HydrophobicContact CE1-CE2 4.3Å; F197-F250 AromaticContact CE1-CZ 3.67Å; F197-F250 HydrophobicContact CE1-CZ 3.67Å; F197-F250 HydrophobicContact CZ-CE1 4.06Å; F197-F250 AromaticContact CZ-CZ 3.55Å; F197-F250 HydrophobicContact CZ-CZ 3.55Å; F250-F252 HydrophobicContact CD1-CB 4.41Å; F250-F252 HydrophobicContact CE1-CB 3.85Å; F250-F252 HydrophobicContact CE1-CD2 4.26Å; F250-F252 HydrophobicContact CZ-CD2 4.48Å; F250-L393 HydrophobicContact CD1-CD2 4.06Å; F250-L393 HydrophobicContact CE1-CD2 4.2Å; F250-L393 HydrophobicContact CG-CD2 4.22Å; F250-F399 HydrophobicContact CB-CE1 3.74Å; F250-F399 HydrophobicContact CB-CZ 4.03Å; F250-F399 HydrophobicContact CD2-CE1 4.12Å; F250-F399 HydrophobicContact CD2-CZ 4.26Å; F250-F399 HydrophobicContact CG-CE1 4.1Å; F250-S400 VanDerWaalsContact CB-O 3.31Å; F250-S400 WeakPolarHBondContact CB-O 3.21Å; F250-V401 HydrophobicContact CD1-CG1 4.33Å; F250-V401 HydrophobicContact CD1-CG2 4.05Å; F250-D402 PolarHBondContact N-OD2 3.37Å; F250-D402 PolarHBondContact O-N 2.94Å
251	L	98.3	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140	171.6	-45	175.6	0	0	0	109.4	A185 F186 F215 V225 F241 L244 D402 K403	A185-L251 WeakPolarHBondContact CA-O 3.27Å; F186-L251 HydrophobicContact CB-CB 4.17Å; F186-L251 HydrophobicContact CD2-CB 4.26Å; F186-L251 PolarHBondContact N-O 2.69Å; F186-L251 PolarHBondContact O-N 2.82Å; F215-L251 HydrophobicContact CE1-CD1 3.56Å; F215-L251 HydrophobicContact CE1-CG 4.03Å; F215-L251 HydrophobicContact CZ-CD1 3.79Å; F215-L251 HydrophobicContact CZ-CG 3.8Å; V225-L251 HydrophobicContact CG1-CD1 4.47Å; F241-L251 HydrophobicContact CD1-CB 4.2Å; F241-L251 HydrophobicContact CD1-CD1 4.25Å; F241-L251 HydrophobicContact CE1-CB 3.76Å; F241-L251 HydrophobicContact CG-CD1 4.35Å; F241-L251 HydrophobicContact CZ-CB 4.04Å; L244-L251 HydrophobicContact CD1-CD1 3.84Å; L244-L251 HydrophobicContact CD2-CD1 3.66Å; L244-L251 HydrophobicContact CD2-CD2 3.79Å; L244-L251 HydrophobicContact CD2-CG 4.41Å; L244-L251 HydrophobicContact CG-CD1 4.44Å; L251-D402 HydrophobicContact CD2-CB 4.23Å; L251-K403 WeakPolarHBondContact CA-O 3.17Å; L251-K403 HydrophobicContact CD2-CB 3.72Å; L251-K403 HydrophobicContact CD2-CG 3.73Å
252	F	98.4	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.9	-178.7	179.9	-87.1	0	0	0	111.1	F124 V183 W184 A185 F197 T201 F250 K403 A404 M405	F124-F252 HydrophobicContact CE1-CB 4.03Å; F124-F252 HydrophobicContact CE1-CD1 4.3Å; F124-F252 HydrophobicContact CE1-CD2 4.37Å; F124-F252 AromaticContact CE1-CG 3.98Å; F124-F252 HydrophobicContact CE1-CG 3.98Å; F124-F252 HydrophobicContact CE2-CD1 4.19Å; F124-F252 HydrophobicContact CE2-CE1 4.49Å; F124-F252 HydrophobicContact CZ-CB 3.83Å; F124-F252 AromaticContact CZ-CD1 3.53Å; F124-F252 HydrophobicContact CZ-CD1 3.53Å; F124-F252 HydrophobicContact CZ-CD2 4.37Å; F124-F252 HydrophobicContact CZ-CE1 4.17Å; F124-F252 AromaticContact CZ-CG 3.65Å; F124-F252 HydrophobicContact CZ-CG 3.65Å; V183-F252 HydrophobicContact CG1-CD2 4.28Å; V183-F252 HydrophobicContact CG1-CE2 3.52Å; V183-F252 HydrophobicContact CG1-CZ 3.97Å; V183-F252 HydrophobicContact CG2-CZ 4.34Å; W184-F252 WeakPolarHBondContact O-CA 3.42Å; A185-F252 HydrophobicContact CB-CD2 4.48Å; F197-F252 HydrophobicContact CZ-CD2 4.33Å; F197-F252 HydrophobicContact CZ-CE2 4.42Å; T201-F252 HydrophobicContact CG2-CE2 4.44Å; F250-F252 HydrophobicContact CD1-CB 4.41Å; F250-F252 HydrophobicContact CE1-CB 3.85Å; F250-F252 HydrophobicContact CE1-CD2 4.26Å; F250-F252 HydrophobicContact CZ-CD2 4.48Å; F252-K403 PolarHBondContact N-O 3.01Å; F252-A404 WeakPolarHBondContact O-CA 3.48Å; F252-M405 PolarHBondContact O-N 3.42Å
253	I	98.3	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.8	166.3	-179.3	174.9	0	0	0	111.3	V183 W184 L237 V240 F241 M405 N407	V183-I253 WeakPolarHBondContact CA-O 3.43Å; W184-I253 HydrophobicContact CB-CG2 3.69Å; W184-I253 HydrophobicContact CD2-CG2 4.23Å; W184-I253 HydrophobicContact CE3-CG2 3.83Å; W184-I253 HydrophobicContact CG-CG2 4.24Å; W184-I253 PolarHBondContact N-O 2.84Å; W184-I253 PolarHBondContact O-N 3.43Å; L237-I253 HydrophobicContact CD1-CD1 4.03Å; V240-I253 HydrophobicContact CB-CD1 4.16Å; V240-I253 HydrophobicContact CG1-CD1 3.59Å; V240-I253 HydrophobicContact CG2-CD1 4.07Å; F241-I253 HydrophobicContact CE2-CB 4.41Å; F241-I253 HydrophobicContact CE2-CG2 3.81Å; F241-I253 HydrophobicContact CZ-CB 3.87Å; F241-I253 HydrophobicContact CZ-CG2 3.66Å; I253-M405 VanDerWaalsContact CA-O 3.24Å; I253-M405 WeakPolarHBondContact CA-O 3.49Å; I253-M405 HydrophobicContact CB-CB 4.03Å; I253-M405 HydrophobicContact CD1-CB 4.25Å; I253-M405 HydrophobicContact CG1-CB 3.92Å; I253-N407 HydrophobicContact CD1-CB 4.43Å
254	S	98.1	Very high	91.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	168.6	-172.6	0	0	0	0	110.8	N116 S120 R182 M405 N406 N407	N116-S254 PolarHBondContact ND2-O 2.78Å; N116-S254 VanDerWaalsContact ND2-O 3.1Å; N116-S254 WeakPolarHBondContact OD1-CB 3.36Å; N116-S254 PolarHBondContact OD1-OG 2.76Å; S120-S254 VanDerWaalsContact OG-CB 3.32Å; S120-S254 WeakPolarHBondContact OG-CB 3.5Å; R182-S254 CarbonylContact O-C 3.55Å; R182-S254 WeakPolarHBondContact O-CA 3.35Å; S254-M405 PolarHBondContact N-O 3.4Å; S254-N406 WeakPolarHBondContact CB-OD1 3.4Å; S254-N406 CarbonylContact O-C 3.58Å; S254-N406 VanDerWaalsContact O-CA 3.28Å; S254-N406 WeakPolarHBondContact O-CA 3.49Å; S254-N407 PolarHBondContact O-N 2.82Å
255	S	97.7	Very high	90.1	Very high	10 Å²	10	22 Å²	22	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.6	177.2	-176.2	0	0	0	0	111.1	T181 R182 N407	T181-S255 CarbonylContact C-O 3.49Å; T181-S255 VanDerWaalsContact CA-O 3.3Å; T181-S255 WeakPolarHBondContact CA-O 3.26Å; R182-S255 PolarHBondContact N-O 3.1Å; R182-S255 PolarHBondContact O-N 2.67Å; S255-N407 CarbonylContact C-O 3.54Å; S255-N407 WeakPolarHBondContact CA-O 3.27Å; S255-N407 PolarHBondContact OG-ND2 2.81Å
256	F	97.4	Very high	88.9	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.9	171.7	178.8	-83	0	0	0	109	N116 I179 T181 F258 N407 V408 M409 L451 L452	N116-F256 HydrophobicContact CB-CB 3.64Å; N116-F256 HydrophobicContact CB-CD2 4.33Å; N116-F256 HydrophobicContact CB-CG 4.2Å; I179-F256 HydrophobicContact CD1-CZ 4.19Å; I179-F256 HydrophobicContact CG1-CZ 4.47Å; I179-F256 HydrophobicContact CG2-CD2 4.11Å; I179-F256 HydrophobicContact CG2-CE2 3.44Å; I179-F256 VanDerWaalsContact CG2-CE2 3.44Å; I179-F256 HydrophobicContact CG2-CZ 3.74Å; T181-F256 HydrophobicContact CG2-CD2 3.9Å; F256-F258 HydrophobicContact CE1-CB 3.92Å; F256-N407 PolarHBondContact N-O 2.78Å; F256-V408 HydrophobicContact CD1-CG1 4.34Å; F256-V408 CarbonylContact O-C 3.52Å; F256-V408 WeakPolarHBondContact O-CA 3.49Å; F256-M409 PolarHBondContact O-N 3Å; F256-L451 HydrophobicContact CZ-CB 4.48Å; F256-L452 HydrophobicContact CD1-CD2 3.99Å; F256-L452 HydrophobicContact CE1-CD1 4.47Å; F256-L452 HydrophobicContact CE1-CD2 3.72Å; F256-L452 HydrophobicContact CE1-CG 4.06Å
257	S	96.1	Very high	87.5	Confident	12 Å²	12	19.6 Å²	19.6	8%	0.084	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.6	177.6	-175	0	0	0	0	109	I179 T180	I179-S257 WeakPolarHBondContact CA-O 3.49Å; T180-S257 PolarHBondContact N-O 3.22Å; T180-S257 PolarHBondContact O-N 3.22Å
258	F	95.3	Very high	85.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123	170	-176.3	-88	0	0	0	109.1	V171 D177 I179 F256 L312 M409 F410 E411 V442 L451 L452	V171-F258 HydrophobicContact CG1-CE2 4.06Å; D177-F258 HydrophobicContact CB-CE2 4.09Å; D177-F258 HydrophobicContact CB-CZ 3.94Å; I179-F258 HydrophobicContact CD1-CD2 4.06Å; I179-F258 HydrophobicContact CD1-CE2 4.33Å; I179-F258 HydrophobicContact CG1-CD2 3.78Å; I179-F258 HydrophobicContact CG1-CE2 4.24Å; F256-F258 HydrophobicContact CE1-CB 3.92Å; F258-L312 HydrophobicContact CE1-CD1 4.03Å; F258-L312 HydrophobicContact CZ-CD1 3.9Å; F258-M409 PolarHBondContact N-O 2.85Å; F258-F410 AromaticContact CD1-CD2 3.66Å; F258-F410 HydrophobicContact CD1-CD2 3.66Å; F258-F410 AromaticContact CD1-CE2 3.74Å; F258-F410 HydrophobicContact CD1-CE2 3.74Å; F258-F410 HydrophobicContact CE1-CD2 4.36Å; F258-F410 AromaticContact CE1-CE2 3.98Å; F258-F410 HydrophobicContact CE1-CE2 3.98Å; F258-F410 HydrophobicContact CG-CD2 4.45Å; F258-F410 WeakPolarHBondContact O-CA 3.26Å; F258-E411 PolarHBondContact O-N 3.45Å; F258-V442 HydrophobicContact CD2-CG1 4.43Å; F258-V442 HydrophobicContact CE1-CG1 4.18Å; F258-V442 HydrophobicContact CE1-CG2 4.41Å; F258-V442 HydrophobicContact CE2-CG1 3.8Å; F258-V442 HydrophobicContact CZ-CG1 3.67Å; F258-L451 HydrophobicContact CE2-CD1 4.47Å; F258-L452 HydrophobicContact CB-CD1 3.64Å; F258-L452 HydrophobicContact CD1-CD1 4.2Å; F258-L452 HydrophobicContact CG-CD1 3.89Å
259	K	92.2	Very high	84.2	Confident	80 Å²	80	26.7 Å²	26.7	35%	0.348	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.3	170.4	175.9	177.1	-179.9	-167.8	0	108.1	D177 E178 E411	D177-K259 WeakPolarHBondContact CA-O 3.36Å; E178-K259 HydrophobicContact CB-CB 4.28Å; E178-K259 PolarHBondContact N-O 2.86Å; E178-K259 PolarHBondContact O-N 3.06Å; K259-E411 CarbonylContact C-O 3.53Å; K259-E411 VanDerWaalsContact CA-O 3.31Å; K259-E411 WeakPolarHBondContact CA-O 2.93Å; K259-E411 HydrophobicContact CB-CG 3.77Å; K259-E411 HydrophobicContact CD-CG 4.45Å; K259-E411 HydrophobicContact CG-CG 3.88Å
260	G	86.8	Confident	83.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	153.2	-178.8	0	0	0	0	0	112.3	D177 E411 M412 S413	D177-G260 VanDerWaalsContact OD1-CA 3.25Å; D177-G260 WeakPolarHBondContact OD1-CA 3.41Å; G260-E411 PolarHBondContact N-O 2.91Å; G260-M412 CarbonylContact O-C 3.51Å; G260-M412 WeakPolarHBondContact O-CA 3.48Å; G260-S413 PolarHBondContact O-N 2.92Å
261	N	79.7	Confident	82.5	Confident	33 Å²	33	32.6 Å²	32.6	18%	0.176	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.4	163.1	-70.8	-15.2	0	0	0	109.4	G176 D177 M263 L312 S413 A417	G176-N261 PolarHBondContact O-ND2 3.12Å; D177-N261 PolarHBondContact OD1-N 2.84Å; N261-M263 PolarHBondContact O-N 2.83Å; N261-L312 CarbonylContact O-C 3.58Å; N261-L312 WeakPolarHBondContact O-CA 3.35Å; N261-L312 VanDerWaalsContact O-O 3.05Å; N261-S413 WeakPolarHBondContact OD1-CB 3.47Å; N261-S413 PolarHBondContact OD1-OG 2.84Å; N261-A417 HydrophobicContact CB-CB 3.91Å
262	W	78.2	Confident	82.1	Confident	13 Å²	13	34.7 Å²	34.7	5%	0.049	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.8	165.9	-60.6	107.2	0	0	0	107.2	A264 F266 M289 L310 L312 M318 L357 M412 S413 A416 A417	W262-A264 PolarHBondContact O-N 3.11Å; W262-F266 AromaticContact CD2-CD2 3.86Å; W262-F266 HydrophobicContact CD2-CD2 3.86Å; W262-F266 AromaticContact CD2-CE2 3.61Å; W262-F266 HydrophobicContact CD2-CE2 3.61Å; W262-F266 AromaticContact CE2-CD2 3.86Å; W262-F266 AromaticContact CE2-CE2 3.68Å; W262-F266 HydrophobicContact CE3-CD2 4.39Å; W262-F266 AromaticContact CE3-CE2 3.71Å; W262-F266 HydrophobicContact CE3-CE2 3.71Å; W262-F266 HydrophobicContact CG-CD2 4.07Å; W262-F266 HydrophobicContact CG-CE2 4.28Å; W262-F266 AromaticContact CH2-CE2 3.95Å; W262-F266 HydrophobicContact CH2-CE2 3.95Å; W262-F266 HydrophobicContact CZ2-CD2 4.39Å; W262-F266 AromaticContact CZ2-CE2 3.86Å; W262-F266 HydrophobicContact CZ2-CE2 3.86Å; W262-F266 AromaticContact CZ3-CE2 3.88Å; W262-F266 HydrophobicContact CZ3-CE2 3.88Å; W262-M289 HydrophobicContact CZ2-CE 3.77Å; W262-L310 HydrophobicContact CZ3-CD2 3.97Å; W262-L312 HydrophobicContact CE3-CD2 3.98Å; W262-L312 HydrophobicContact CZ3-CD2 3.91Å; W262-M318 HydrophobicContact CH2-CE 4.39Å; W262-L357 HydrophobicContact CH2-CD2 3.68Å; W262-L357 HydrophobicContact CZ2-CD2 4.37Å; W262-L357 HydrophobicContact CZ3-CD2 4.31Å; W262-M412 HydrophobicContact CD2-CE 3.59Å; W262-M412 HydrophobicContact CE3-CE 3.74Å; W262-M412 HydrophobicContact CG-CE 4.13Å; W262-M412 HydrophobicContact CH2-CE 3.98Å; W262-M412 HydrophobicContact CH2-CG 4.11Å; W262-M412 HydrophobicContact CZ2-CB 3.94Å; W262-M412 HydrophobicContact CZ2-CE 3.83Å; W262-M412 HydrophobicContact CZ2-CG 3.65Å; W262-M412 HydrophobicContact CZ2-SD 4.43Å; W262-M412 HydrophobicContact CZ3-CE 3.93Å; W262-S413 VanDerWaalsContact CD1-O 3.3Å; W262-S413 PolarHBondContact NE1-O 3.35Å; W262-A416 WeakPolarHBondContact O-CA 3.49Å; W262-A417 PolarHBondContact O-N 3.5Å
263	M	71.2	Confident	81.9	Confident	31 Å²	31	41 Å²	41	15%	0.153	22%	0.219	C	C	.	.	S	Bend	trans	-48.3	-40.1	176.2	-178.2	-175.9	-76.4	0	0	109.7	N261 P311 L312 S313 E418	N261-M263 PolarHBondContact O-N 2.83Å; M263-P311 HydrophobicContact CB-CB 4.17Å; M263-P311 WeakPolarHBondContact CB-O 3.15Å; M263-P311 HydrophobicContact CE-CB 3.6Å; M263-P311 HydrophobicContact SD-CB 3.65Å; M263-L312 WeakPolarHBondContact CA-O 3.4Å; M263-L312 VanDerWaalsContact CB-O 3.25Å; M263-L312 WeakPolarHBondContact CB-O 3.33Å; M263-L312 PolarHBondContact N-O 2.79Å; M263-S313 WeakPolarHBondContact CE-O 3.38Å; M263-E418 PolarHBondContact O-N 2.84Å
264	A	67.3	Low	81.7	Confident	17 Å²	17	43.7 Å²	43.7	14%	0.14	23%	0.232	C	C	.	.	S	Bend	trans	-131.4	111.4	169.4	0	0	0	0	0	108.9	W262 R291 H420	W262-A264 PolarHBondContact O-N 3.11Å; A264-R291 PolarHBondContact O-NH1 3.4Å; A264-H420 HydrophobicContact CB-CB 3.61Å
265	A	63.4	Low	81.6	Confident	17 Å²	17	48.6 Å²	48.6	14%	0.14	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-56.1	147.1	-175.6	0	0	0	0	0	113.3	Q267 R291 A416	A265-Q267 PolarHBondContact O-N 2.76Å; A265-R291 PolarHBondContact O-NH1 3.43Å; A265-A416 HydrophobicContact CB-CB 3.52Å
266	F	70.4	Confident	81.6	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.044	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.5	136.6	160.2	-67.4	-91.7	0	0	0	109.1	W262 P268 M289 R291 L357	W262-F266 AromaticContact CD2-CD2 3.86Å; W262-F266 HydrophobicContact CD2-CD2 3.86Å; W262-F266 AromaticContact CD2-CE2 3.61Å; W262-F266 HydrophobicContact CD2-CE2 3.61Å; W262-F266 AromaticContact CE2-CD2 3.86Å; W262-F266 AromaticContact CE2-CE2 3.68Å; W262-F266 HydrophobicContact CE3-CD2 4.39Å; W262-F266 AromaticContact CE3-CE2 3.71Å; W262-F266 HydrophobicContact CE3-CE2 3.71Å; W262-F266 HydrophobicContact CG-CD2 4.07Å; W262-F266 HydrophobicContact CG-CE2 4.28Å; W262-F266 AromaticContact CH2-CE2 3.95Å; W262-F266 HydrophobicContact CH2-CE2 3.95Å; W262-F266 HydrophobicContact CZ2-CD2 4.39Å; W262-F266 AromaticContact CZ2-CE2 3.86Å; W262-F266 HydrophobicContact CZ2-CE2 3.86Å; W262-F266 AromaticContact CZ3-CE2 3.88Å; W262-F266 HydrophobicContact CZ3-CE2 3.88Å; F266-P268 WeakPolarHBondContact O-CD 3.41Å; F266-M289 HydrophobicContact CB-CB 3.61Å; F266-M289 HydrophobicContact CB-CG 4.19Å; F266-M289 HydrophobicContact CB-SD 4.04Å; F266-M289 HydrophobicContact CD1-CB 3.44Å; F266-M289 VanDerWaalsContact CD1-CB 3.44Å; F266-M289 HydrophobicContact CD2-CB 4.03Å; F266-M289 HydrophobicContact CD2-CE 3.71Å; F266-M289 HydrophobicContact CD2-SD 3.71Å; F266-M289 HydrophobicContact CE1-CB 4.07Å; F266-M289 HydrophobicContact CE2-CE 3.76Å; F266-M289 HydrophobicContact CE2-SD 4.39Å; F266-M289 HydrophobicContact CG-CB 3.42Å; F266-M289 VanDerWaalsContact CG-CB 3.42Å; F266-M289 HydrophobicContact CG-CE 4.29Å; F266-M289 HydrophobicContact CG-CG 4.23Å; F266-M289 HydrophobicContact CG-SD 3.96Å; F266-M289 HydrophobicContact CZ-CE 4.37Å; F266-R291 HydrophobicContact CD1-CB 3.57Å; F266-R291 HydrophobicContact CE1-CB 3.92Å; F266-R291 HydrophobicContact CG-CB 4.44Å; F266-L357 HydrophobicContact CE1-CB 4.35Å; F266-L357 HydrophobicContact CE2-CD2 4.28Å; F266-L357 HydrophobicContact CZ-CB 4.06Å; F266-L357 HydrophobicContact CZ-CD2 3.94Å
267	Q	64.8	Low	81.5	Confident	85 Å²	85	51.3 Å²	51.3	40%	0.397	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-61.7	122.2	-178.5	-77.6	-178	-28.7	0	0	109.3	A265 D269 K270	A265-Q267 PolarHBondContact O-N 2.76Å; Q267-D269 WeakPolarHBondContact CB-OD1 3.43Å; Q267-D269 PolarHBondContact O-N 2.88Å; Q267-K270 HydrophobicContact CB-CB 4.05Å; Q267-K270 HydrophobicContact CB-CD 4.24Å; Q267-K270 HydrophobicContact CB-CG 4.02Å; Q267-K270 CarbonylContact O-C 3.55Å; Q267-K270 WeakPolarHBondContact O-CA 3.24Å; Q267-K270 PolarHBondContact O-N 3.43Å
268	P	60.5	Low	81.4	Confident	101 Å²	101	52.2 Å²	52.2	66%	0.656	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-58.5	-31.4	-177.1	-26.1	34.6	0	0	0	113.8	F266 K270	F266-P268 WeakPolarHBondContact O-CD 3.41Å; P268-K270 PolarHBondContact O-N 3.21Å
269	D	60.5	Low	81.2	Confident	130 Å²	130	55.7 Å²	55.7	70%	0.695	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.3	-8.2	173.9	54.3	-52.4	0	0	0	113.9	Q267	Q267-D269 WeakPolarHBondContact CB-OD1 3.43Å; Q267-D269 PolarHBondContact O-N 2.88Å
270	K	74.1	Confident	81	Confident	81 Å²	81	61.5 Å²	61.5	35%	0.352	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-113	36.8	174.4	-63.7	-168.2	177.9	168	0	112.6	Q267 P268 T290	Q267-K270 HydrophobicContact CB-CB 4.05Å; Q267-K270 HydrophobicContact CB-CD 4.24Å; Q267-K270 HydrophobicContact CB-CG 4.02Å; Q267-K270 CarbonylContact O-C 3.55Å; Q267-K270 WeakPolarHBondContact O-CA 3.24Å; Q267-K270 PolarHBondContact O-N 3.43Å; P268-K270 PolarHBondContact O-N 3.21Å; K270-T290 WeakPolarHBondContact CB-O 3.4Å; K270-T290 PolarHBondContact O-N 3.14Å
271	I	83.8	Confident	81.3	Confident	64 Å²	64	67.6 Å²	67.6	33%	0.328	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.1	167.1	-60.9	172	0	0	0	108.1	S287 T288 M289	I271-S287 WeakPolarHBondContact CG2-OG 3.43Å; I271-T288 WeakPolarHBondContact CA-O 3.4Å; I271-M289 HydrophobicContact CG1-CG 4.34Å
272	S	89.6	Confident	82.1	Confident	44 Å²	44	68.8 Å²	68.8	31%	0.308	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.2	-179.6	36.4	0	0	0	0	110.4	E274 T288	S272-E274 PolarHBondContact OG-OE1 2.94Å; S272-T288 PolarHBondContact N-O 2.96Å; S272-T288 PolarHBondContact O-N 3.03Å
273	M	93.8	Very high	82.9	Confident	134 Å²	134	73.3 Å²	73.3	66%	0.66	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	114	167.1	-68.1	-61.8	-86.5	0	0	108	T285	M273-T285 HydrophobicContact CB-CG2 3.78Å; M273-T285 HydrophobicContact CE-CG2 3.87Å
274	E	94.6	Very high	84.1	Confident	56 Å²	56	73.2 Å²	73.2	26%	0.262	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155	-176.9	-61.2	-173.8	-171.3	0	0	111.3	S272 T285 T286 T288	S272-E274 PolarHBondContact OG-OE1 2.94Å; E274-T285 WeakPolarHBondContact O-CA 3.37Å; E274-T286 PolarHBondContact N-O 3.11Å; E274-T286 PolarHBondContact O-N 3.01Å; E274-T288 HydrophobicContact CG-CG2 4.45Å
275	E	96.6	Very high	85.5	Confident	103 Å²	103	76.4 Å²	76.4	48%	0.481	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.6	175.4	-64.2	-169.7	147.4	0	0	110.6	K283	E275-K283 IonicContact OE1-NZ 2.88Å; E275-K283 WeakPolarHBondContact OE2-CD 3.46Å; E275-K283 IonicContact OE2-NZ 3.67Å; E275-K283 PolarHBondContact OE2-NZ 3.2Å
276	F	97.3	Very high	86.9	Confident	2 Å²	2	76 Å²	76	1%	0.009	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127	168.3	-173	-79.3	0	0	0	109.3	V278 K283 V284 T286 P358 N435 R436 F438 I456 T457 P459	F276-V278 HydrophobicContact CD1-CG2 4.2Å; F276-V278 PolarHBondContact O-N 3.06Å; F276-K283 WeakPolarHBondContact O-CA 3.46Å; F276-V284 HydrophobicContact CB-CG2 3.91Å; F276-V284 HydrophobicContact CD1-CG2 4.36Å; F276-V284 PolarHBondContact N-O 3.05Å; F276-V284 PolarHBondContact O-N 2.89Å; F276-T286 HydrophobicContact CB-CG2 4Å; F276-P358 HydrophobicContact CD2-CG 4.13Å; F276-P358 HydrophobicContact CE2-CG 4.08Å; F276-N435 VanDerWaalsContact CD2-C 3.49Å; F276-R436 WeakPolarHBondContact CE2-O 3.44Å; F276-R436 VanDerWaalsContact CZ-O 3.26Å; F276-R436 WeakPolarHBondContact CZ-O 3.2Å; F276-F438 HydrophobicContact CE2-CD1 4.16Å; F276-F438 HydrophobicContact CE2-CE1 4.12Å; F276-F438 HydrophobicContact CZ-CD1 4.29Å; F276-F438 HydrophobicContact CZ-CE1 4.45Å; F276-I456 HydrophobicContact CZ-CG2 4.48Å; F276-T457 WeakPolarHBondContact CE1-O 3.41Å; F276-P459 HydrophobicContact CB-CG 4.12Å; F276-P459 VanDerWaalsContact CD1-CD 3.46Å; F276-P459 HydrophobicContact CD1-CG 4.09Å; F276-P459 HydrophobicContact CD2-CG 3.78Å; F276-P459 HydrophobicContact CE1-CG 4.45Å; F276-P459 HydrophobicContact CE2-CG 4.15Å; F276-P459 HydrophobicContact CG-CG 3.73Å; F276-P459 HydrophobicContact CZ-CG 4.45Å
277	H	96	Very high	88	Confident	65 Å²	65	77.1 Å²	77.1	30%	0.301	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	98.1	-179.1	-63.6	-106.9	0	0	0	109.6	D279 K283 N435 R436 P437	H277-D279 VanDerWaalsContact C-N 3.33Å; H277-K283 VanDerWaalsContact CE1-CE 3.41Å; H277-K283 WeakPolarHBondContact CE1-CE 3.28Å; H277-N435 PolarHBondContact CD2-O 2.99Å; H277-N435 PolarHBondContact N-O 2.8Å; H277-R436 HydrophobicContact CB-CB 4.38Å; H277-R436 WeakPolarHBondContact O-CA 3.43Å; H277-P437 WeakPolarHBondContact O-CD 3.25Å
278	V	93.8	Very high	89.3	Confident	31 Å²	31	73.3 Å²	73.3	19%	0.188	39%	0.39	C	S	.	.	S	Bend	trans	-65.5	-41.7	177.8	175.6	0	0	0	0	110.4	F276 T282 V284 P437 N458	F276-V278 HydrophobicContact CD1-CG2 4.2Å; F276-V278 PolarHBondContact O-N 3.06Å; V278-T282 HydrophobicContact CB-CG2 4.13Å; V278-T282 HydrophobicContact CG2-CG2 4.42Å; V278-T282 PolarHBondContact N-O 2.95Å; V278-V284 HydrophobicContact CG2-CG1 3.94Å; V278-V284 HydrophobicContact CG2-CG2 3.97Å; V278-P437 WeakPolarHBondContact O-CG 3.38Å; V278-N458 HydrophobicContact CG1-CB 4.43Å; V278-N458 HydrophobicContact CG2-CB 3.93Å
279	D	90.9	Very high	90.7	Very high	73 Å²	73	69 Å²	69	39%	0.39	36%	0.361	S	S	.	.	S	Bend	trans	-149.7	-169.5	173.6	61.8	61.4	0	0	0	110	H277 T281 T282	H277-D279 VanDerWaalsContact C-N 3.33Å; D279-T281 PolarHBondContact O-N 2.88Å; D279-T281 WeakPolarHBondContact OD1-CA 3.47Å; D279-T281 PolarHBondContact OD1-N 2.81Å; D279-T281 PolarHBondContact OD1-OG1 3.39Å; D279-T282 PolarHBondContact N-O 3.34Å; D279-T282 WeakPolarHBondContact OD1-CB 3.49Å; D279-T282 PolarHBondContact OD1-N 2.97Å; D279-T282 PolarHBondContact OD1-OG1 3.2Å; D279-T282 WeakPolarHBondContact OD2-CB 3.36Å; D279-T282 PolarHBondContact OD2-OG1 3.2Å
280	E	88.6	Confident	92.1	Very high	202 Å²	202	63.7 Å²	63.7	94%	0.944	33%	0.333	S	S	*	.	S	Bend	trans	-62.5	-24.4	-179	-64.5	-174.3	170.9	0	0	113.6
281	T	92.9	Very high	92.8	Very high	127 Å²	127	61.1 Å²	61.1	78%	0.779	32%	0.321	S	S	*	.	S	Bend	trans	-115.3	-24.9	-173	60.4	0	0	0	0	113.6	D279	D279-T281 PolarHBondContact O-N 2.88Å; D279-T281 WeakPolarHBondContact OD1-CA 3.47Å; D279-T281 PolarHBondContact OD1-N 2.81Å; D279-T281 PolarHBondContact OD1-OG1 3.39Å
282	T	95.1	Very high	93	Very high	59 Å²	59	59.7 Å²	59.7	36%	0.362	32%	0.316	S	S	.	.			trans	-104.3	124.9	-173.2	-51.3	0	0	0	0	111	V278 D279	V278-T282 HydrophobicContact CB-CG2 4.13Å; V278-T282 HydrophobicContact CG2-CG2 4.42Å; V278-T282 PolarHBondContact N-O 2.95Å; D279-T282 PolarHBondContact N-O 3.34Å; D279-T282 WeakPolarHBondContact OD1-CB 3.49Å; D279-T282 PolarHBondContact OD1-N 2.97Å; D279-T282 PolarHBondContact OD1-OG1 3.2Å; D279-T282 WeakPolarHBondContact OD2-CB 3.36Å; D279-T282 PolarHBondContact OD2-OG1 3.2Å
283	K	96.4	Very high	92.9	Very high	108 Å²	108	60 Å²	60	47%	0.47	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.2	171.7	-60.5	-175.4	-179	-170	0	110.8	E275 F276 H277	E275-K283 IonicContact OE1-NZ 2.88Å; E275-K283 WeakPolarHBondContact OE2-CD 3.46Å; E275-K283 IonicContact OE2-NZ 3.67Å; E275-K283 PolarHBondContact OE2-NZ 3.2Å; F276-K283 WeakPolarHBondContact O-CA 3.46Å; H277-K283 VanDerWaalsContact CE1-CE 3.41Å; H277-K283 WeakPolarHBondContact CE1-CE 3.28Å
284	V	96.3	Very high	92.7	Very high	28 Å²	28	54 Å²	54	17%	0.17	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154	171.3	-60.1	0	0	0	0	109.4	F276 V278 T460	F276-V284 HydrophobicContact CB-CG2 3.91Å; F276-V284 HydrophobicContact CD1-CG2 4.36Å; F276-V284 PolarHBondContact N-O 3.05Å; F276-V284 PolarHBondContact O-N 2.89Å; V278-V284 HydrophobicContact CG2-CG1 3.94Å; V278-V284 HydrophobicContact CG2-CG2 3.97Å; V284-T460 HydrophobicContact CB-CG2 4.1Å; V284-T460 HydrophobicContact CG2-CG2 3.93Å
285	T	96.4	Very high	92.5	Very high	84 Å²	84	52 Å²	52	52%	0.515	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.6	174.2	-51	0	0	0	0	109.2	M273 E274	M273-T285 HydrophobicContact CB-CG2 3.78Å; M273-T285 HydrophobicContact CE-CG2 3.87Å; E274-T285 WeakPolarHBondContact O-CA 3.37Å
286	T	93.7	Very high	92.4	Very high	10 Å²	10	50.8 Å²	50.8	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.2	-179.1	-172.5	0	0	0	0	112	E274 F276 T288 P358 P459	E274-T286 PolarHBondContact N-O 3.11Å; E274-T286 PolarHBondContact O-N 3.01Å; F276-T286 HydrophobicContact CB-CG2 4Å; T286-T288 PolarHBondContact O-N 3.42Å; T286-T288 PolarHBondContact O-OG1 3.4Å; T286-P358 HydrophobicContact CG2-CB 3.71Å; T286-P459 HydrophobicContact CG2-CG 3.78Å
287	S	92.5	Very high	92.3	Very high	33 Å²	33	53.7 Å²	53.7	23%	0.231	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	111.3	172.4	-176.8	0	0	0	0	108.8	I271 K359	I271-S287 WeakPolarHBondContact CG2-OG 3.43Å; S287-K359 PolarHBondContact O-N 2.77Å
288	T	91.9	Very high	92.3	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.4	-176.2	-59.5	0	0	0	0	109.8	I271 S272 E274 T286	I271-T288 WeakPolarHBondContact CA-O 3.4Å; S272-T288 PolarHBondContact N-O 2.96Å; S272-T288 PolarHBondContact O-N 3.03Å; E274-T288 HydrophobicContact CG-CG2 4.45Å; T286-T288 PolarHBondContact O-N 3.42Å; T286-T288 PolarHBondContact O-OG1 3.4Å
289	M	90.8	Very high	92.4	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.054	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.1	-179.2	-56	179.8	-67.2	0	0	109.1	W262 F266 I271 S356 L357 K359	W262-M289 HydrophobicContact CZ2-CE 3.77Å; F266-M289 HydrophobicContact CB-CB 3.61Å; F266-M289 HydrophobicContact CB-CG 4.19Å; F266-M289 HydrophobicContact CB-SD 4.04Å; F266-M289 HydrophobicContact CD1-CB 3.44Å; F266-M289 VanDerWaalsContact CD1-CB 3.44Å; F266-M289 HydrophobicContact CD2-CB 4.03Å; F266-M289 HydrophobicContact CD2-CE 3.71Å; F266-M289 HydrophobicContact CD2-SD 3.71Å; F266-M289 HydrophobicContact CE1-CB 4.07Å; F266-M289 HydrophobicContact CE2-CE 3.76Å; F266-M289 HydrophobicContact CE2-SD 4.39Å; F266-M289 HydrophobicContact CG-CB 3.42Å; F266-M289 VanDerWaalsContact CG-CB 3.42Å; F266-M289 HydrophobicContact CG-CE 4.29Å; F266-M289 HydrophobicContact CG-CG 4.23Å; F266-M289 HydrophobicContact CG-SD 3.96Å; F266-M289 HydrophobicContact CZ-CE 4.37Å; I271-M289 HydrophobicContact CG1-CG 4.34Å; M289-S356 CarbonylContact O-C 3.54Å; M289-S356 VanDerWaalsContact O-CA 3.31Å; M289-S356 WeakPolarHBondContact O-CA 3.32Å; M289-L357 HydrophobicContact CE-CD2 4.49Å; M289-L357 PolarHBondContact N-O 2.75Å; M289-L357 PolarHBondContact O-N 2.77Å; M289-K359 HydrophobicContact CE-CG 3.95Å; M289-K359 HydrophobicContact CG-CD 4.34Å; M289-K359 HydrophobicContact CG-CG 3.7Å; M289-K359 HydrophobicContact SD-CD 4.22Å; M289-K359 VanDerWaalsContact SD-CE 3.58Å; M289-K359 HydrophobicContact SD-CG 3.61Å
290	T	89.9	Confident	92.5	Very high	17 Å²	17	52 Å²	52	10%	0.104	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	179.8	-63.4	0	0	0	0	111.7	K270 E354 L355 S356	K270-T290 WeakPolarHBondContact CB-O 3.4Å; K270-T290 PolarHBondContact O-N 3.14Å; T290-E354 HydrophobicContact CG2-CG 3.77Å; T290-L355 WeakPolarHBondContact CA-O 3.39Å; T290-S356 PolarHBondContact OG1-OG 3.19Å
291	R	87.8	Confident	92.7	Very high	27 Å²	27	50.1 Å²	50.1	10%	0.102	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.6	176.8	-179.9	174.9	168.1	128.3	5.1	111.9	A264 A265 F266 E354 L355	A264-R291 PolarHBondContact O-NH1 3.4Å; A265-R291 PolarHBondContact O-NH1 3.43Å; F266-R291 HydrophobicContact CD1-CB 3.57Å; F266-R291 HydrophobicContact CE1-CB 3.92Å; F266-R291 HydrophobicContact CG-CB 4.44Å; R291-E354 WeakPolarHBondContact O-CA 3.34Å; R291-L355 PolarHBondContact N-O 2.81Å; R291-L355 PolarHBondContact O-N 2.78Å
292	T	88.3	Confident	92.6	Very high	35 Å²	35	50 Å²	50	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.3	171.2	-45.5	0	0	0	0	109.6	L352 L353 A429	T292-L352 HydrophobicContact CG2-CD1 3.97Å; T292-L352 HydrophobicContact CG2-CG 4.21Å; T292-L353 VanDerWaalsContact CA-O 3.31Å; T292-L353 WeakPolarHBondContact CA-O 3.44Å; T292-A429 HydrophobicContact CG2-CB 3.64Å
293	Y	87	Confident	92.3	Very high	51 Å²	51	48.6 Å²	48.6	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	168.1	-179.2	-169.9	-106.9	0	0	0	111.2	Y295 L353	Y293-Y295 VanDerWaalsContact CB-CE2 3.48Å; Y293-Y295 HydrophobicContact CD1-CD1 4.39Å; Y293-Y295 HydrophobicContact CD1-CE1 4.28Å; Y293-Y295 VanDerWaalsContact O-CD2 3.31Å; Y293-Y295 WeakPolarHBondContact O-CD2 3.33Å; Y293-Y295 PolarHBondContact O-N 2.79Å; Y293-L353 PolarHBondContact N-O 2.94Å; Y293-L353 PolarHBondContact O-N 2.97Å
294	N	89.4	Confident	92.2	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	98.9	171.9	-72.2	-30.6	0	0	0	109.1	E350 L352 T424	N294-E350 HydrophobicContact CB-CG 4.17Å; N294-L352 WeakPolarHBondContact OD1-CA 3.34Å; N294-L352 WeakPolarHBondContact OD1-CD1 3.04Å; N294-T424 PolarHBondContact ND2-OG1 3.12Å
295	Y	91.1	Very high	92.2	Very high	12 Å²	12	47.4 Å²	47.4	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.5	179.6	-68.4	-82.2	0	0	0	110.4	Y293 V308 L310 E350 G351 L353 L355	Y293-Y295 VanDerWaalsContact CB-CE2 3.48Å; Y293-Y295 HydrophobicContact CD1-CD1 4.39Å; Y293-Y295 HydrophobicContact CD1-CE1 4.28Å; Y293-Y295 VanDerWaalsContact O-CD2 3.31Å; Y293-Y295 WeakPolarHBondContact O-CD2 3.33Å; Y293-Y295 PolarHBondContact O-N 2.79Å; Y295-V308 HydrophobicContact CD1-CG1 4.25Å; Y295-V308 HydrophobicContact CG-CG1 4.23Å; Y295-L310 HydrophobicContact CD1-CG 4.45Å; Y295-L310 HydrophobicContact CE1-CG 4.2Å; Y295-E350 CarbonylContact O-C 3.54Å; Y295-E350 WeakPolarHBondContact O-CA 3.5Å; Y295-G351 PolarHBondContact N-O 3.49Å; Y295-G351 PolarHBondContact O-N 3.42Å; Y295-L353 HydrophobicContact CD2-CB 3.91Å; Y295-L353 HydrophobicContact CD2-CD2 4.22Å; Y295-L355 HydrophobicContact CE1-CD2 4.4Å; Y295-L355 HydrophobicContact CE2-CB 4.03Å
296	H	94.2	Very high	92.2	Very high	79 Å²	79	44.5 Å²	44.5	37%	0.366	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.4	164.3	-76.9	78	0	0	0	108.3	V308 K309 L348 R349	H296-V308 WeakPolarHBondContact O-CA 3.48Å; H296-K309 HydrophobicContact CB-CB 4.02Å; H296-K309 PolarHBondContact O-N 3.48Å; H296-L348 HydrophobicContact CB-CB 4.19Å; H296-R349 CarbonylContact C-O 3.57Å; H296-R349 WeakPolarHBondContact CA-O 3.5Å
297	Y	95.9	Very high	92.4	Very high	63 Å²	63	44 Å²	44	25%	0.247	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.7	179.3	73.5	-82.2	0	0	0	112.9	V307 R349 L430	Y297-V307 CarbonylContact C-O 3.59Å; Y297-V307 WeakPolarHBondContact CA-O 3.34Å; Y297-V307 WeakPolarHBondContact CB-O 3.48Å; Y297-R349 PolarHBondContact N-O 2.76Å; Y297-R349 PolarHBondContact O-N 2.92Å; Y297-L430 HydrophobicContact CE2-CD2 3.92Å
298	L	95.9	Very high	92.5	Very high	31 Å²	31	42.5 Å²	42.5	16%	0.162	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.9	180	171.5	64	0	0	0	109.3	D300 T306 V307 N347 L348	L298-D300 HydrophobicContact CD2-CB 4.29Å; L298-D300 HydrophobicContact CG-CB 4.27Å; L298-T306 CarbonylContact O-C 3.48Å; L298-T306 WeakPolarHBondContact O-CA 3.47Å; L298-V307 HydrophobicContact CB-CB 4.48Å; L298-V307 PolarHBondContact N-O 2.93Å; L298-V307 PolarHBondContact O-N 2.98Å; L298-N347 HydrophobicContact CD1-CB 4.1Å; L298-N347 HydrophobicContact CD2-CB 3.86Å; L298-L348 HydrophobicContact CB-CD2 3.94Å
299	N	95.4	Very high	92.7	Very high	81 Å²	81	43.8 Å²	43.8	43%	0.433	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	94.3	164.8	179	0.6	0	0	0	109	K301 H324	N299-K301 PolarHBondContact O-N 3.04Å; N299-H324 PolarHBondContact OD1-CE1 2.93Å; N299-H324 PolarHBondContact OD1-NE2 3.48Å; N299-H324 VanDerWaalsContact OD1-NE2 3.11Å
300	D	93.9	Very high	92.7	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	91.1	179.3	-173.9	-13.5	0	0	0	110.1	L298 V302 N303 R304 C305	L298-D300 HydrophobicContact CD2-CB 4.29Å; L298-D300 HydrophobicContact CG-CB 4.27Å; D300-V302 PolarHBondContact O-N 3.45Å; D300-V302 WeakPolarHBondContact OD1-CB 3.45Å; D300-V302 PolarHBondContact OD1-N 3.18Å; D300-N303 PolarHBondContact OD1-N 3.34Å; D300-N303 PolarHBondContact OD1-ND2 3.4Å; D300-N303 WeakPolarHBondContact OD2-CB 3.44Å; D300-N303 PolarHBondContact OD2-ND2 3.08Å; D300-R304 WeakPolarHBondContact O-CA 3.46Å; D300-R304 PolarHBondContact O-N 3.42Å; D300-C305 WeakPolarHBondContact CA-O 3.28Å; D300-C305 WeakPolarHBondContact CB-O 3.42Å; D300-C305 PolarHBondContact N-O 3.28Å; D300-C305 PolarHBondContact O-N 2.88Å
301	K	92.8	Very high	92.7	Very high	163 Å²	163	44.7 Å²	44.7	71%	0.709	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.8	177.5	-64.2	-177.7	-179.8	179.2	0	113.3	N299	N299-K301 PolarHBondContact O-N 3.04Å
302	V	89.9	Confident	92.7	Very high	123 Å²	123	43.4 Å²	43.4	75%	0.745	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-45	-178.2	177.2	0	0	0	0	109.7	D300	D300-V302 PolarHBondContact O-N 3.45Å; D300-V302 WeakPolarHBondContact OD1-CB 3.45Å; D300-V302 PolarHBondContact OD1-N 3.18Å
303	N	89.5	Confident	92.6	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0	-179.5	-60.4	-71.1	0	0	0	113.7	D300 F340	D300-N303 PolarHBondContact OD1-N 3.34Å; D300-N303 PolarHBondContact OD1-ND2 3.4Å; D300-N303 WeakPolarHBondContact OD2-CB 3.44Å; D300-N303 PolarHBondContact OD2-ND2 3.08Å; N303-F340 HydrophobicContact CB-CE2 3.77Å; N303-F340 HydrophobicContact CB-CZ 3.63Å; N303-F340 WeakPolarHBondContact ND2-CE2 3.32Å
304	R	94.1	Very high	92.5	Very high	111 Å²	111	45.7 Å²	45.7	42%	0.419	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	48.3	175.8	-57.7	-177.5	56.1	80.6	6.1	112.3	D300 H324 E325 T327	D300-R304 WeakPolarHBondContact O-CA 3.46Å; D300-R304 PolarHBondContact O-N 3.42Å; R304-H324 WeakPolarHBondContact CA-ND1 3.38Å; R304-H324 HydrophobicContact CB-CB 4.34Å; R304-H324 WeakPolarHBondContact O-CB 3.45Å; R304-H324 PolarHBondContact O-N 3.31Å; R304-E325 PolarHBondContact NH2-O 3.07Å; R304-E325 VanDerWaalsContact NH2-O 3.08Å; R304-T327 HydrophobicContact CB-CG2 4.26Å; R304-T327 PolarHBondContact NE-OG1 3.07Å
305	C	95.9	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.2	176.6	61.1	0	0	0	0	112.6	D300 M321 L322 H324 V332	D300-C305 WeakPolarHBondContact CA-O 3.28Å; D300-C305 WeakPolarHBondContact CB-O 3.42Å; D300-C305 PolarHBondContact N-O 3.28Å; D300-C305 PolarHBondContact O-N 2.88Å; C305-M321 HydrophobicContact CB-CG 3.8Å; C305-M321 HydrophobicContact CB-SD 3.68Å; C305-L322 CarbonylContact C-O 3.54Å; C305-L322 WeakPolarHBondContact CA-O 3.32Å; C305-H324 VanDerWaalsContact CA-CD2 3.5Å; C305-H324 WeakPolarHBondContact CA-CD2 3.07Å; C305-H324 WeakPolarHBondContact CA-NE2 3.39Å; C305-H324 PolarHBondContact N-CE1 3.11Å; C305-H324 PolarHBondContact N-NE2 3.48Å; C305-H324 PolarHBondContact O-NE2 3.33Å; C305-V332 HydrophobicContact CB-CG1 4.12Å; C305-V332 HydrophobicContact CB-CG2 4.24Å
306	T	96.5	Very high	92.5	Very high	22 Å²	22	47.9 Å²	47.9	14%	0.135	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.2	167.5	-58.4	0	0	0	0	108.8	L298 V308 M321 L322 H324 L432	L298-T306 CarbonylContact O-C 3.48Å; L298-T306 WeakPolarHBondContact O-CA 3.47Å; T306-V308 HydrophobicContact CG2-CG2 4.49Å; T306-M321 WeakPolarHBondContact O-CA 3.13Å; T306-L322 PolarHBondContact N-O 2.77Å; T306-L322 PolarHBondContact O-N 2.94Å; T306-H324 PolarHBondContact N-NE2 3.4Å; T306-H324 PolarHBondContact OG1-NE2 3.04Å; T306-L432 HydrophobicContact CG2-CD1 4.24Å; T306-L432 HydrophobicContact CG2-CD2 3.89Å
307	V	96.9	Very high	92.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.7	177.8	-174.2	0	0	0	0	109.2	Y297 L298 L320 M321 W344 L348	Y297-V307 CarbonylContact C-O 3.59Å; Y297-V307 WeakPolarHBondContact CA-O 3.34Å; Y297-V307 WeakPolarHBondContact CB-O 3.48Å; L298-V307 HydrophobicContact CB-CB 4.48Å; L298-V307 PolarHBondContact N-O 2.93Å; L298-V307 PolarHBondContact O-N 2.98Å; V307-L320 CarbonylContact C-O 3.53Å; V307-L320 WeakPolarHBondContact CA-O 3.4Å; V307-M321 HydrophobicContact CG2-CB 4.37Å; V307-M321 HydrophobicContact CG2-CG 4.17Å; V307-W344 HydrophobicContact CB-CD2 4.48Å; V307-W344 HydrophobicContact CG1-CB 4.42Å; V307-W344 HydrophobicContact CG1-CD2 4.13Å; V307-W344 HydrophobicContact CG1-CE3 4.04Å; V307-W344 HydrophobicContact CG1-CG 4.34Å; V307-W344 HydrophobicContact CG2-CD2 3.65Å; V307-W344 VanDerWaalsContact CG2-CE2 3.48Å; V307-W344 HydrophobicContact CG2-CE3 4.13Å; V307-W344 HydrophobicContact CG2-CG 3.98Å; V307-W344 HydrophobicContact CG2-CH2 4.23Å; V307-W344 HydrophobicContact CG2-CZ2 3.76Å; V307-W344 HydrophobicContact CG2-CZ3 4.41Å; V307-L348 HydrophobicContact CG1-CD2 4.39Å
308	V	96.4	Very high	92.4	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132	175.7	-169.4	0	0	0	0	109	Y295 H296 T306 L310 L319 L320 L353 L432	Y295-V308 HydrophobicContact CD1-CG1 4.25Å; Y295-V308 HydrophobicContact CG-CG1 4.23Å; H296-V308 WeakPolarHBondContact O-CA 3.48Å; T306-V308 HydrophobicContact CG2-CG2 4.49Å; V308-L310 HydrophobicContact CB-CD1 3.81Å; V308-L310 HydrophobicContact CG1-CD1 3.6Å; V308-L319 CarbonylContact O-C 3.52Å; V308-L319 WeakPolarHBondContact O-CA 3.19Å; V308-L320 PolarHBondContact N-O 3.26Å; V308-L320 PolarHBondContact O-N 3.27Å; V308-L353 HydrophobicContact CG1-CD2 4.21Å; V308-L353 HydrophobicContact CG2-CD2 4.18Å; V308-L432 HydrophobicContact CG2-CD2 3.39Å
309	K	94.6	Very high	92.4	Very high	31 Å²	31	39.8 Å²	39.8	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.2	168.9	173	169.9	173.9	159.3	0	109	H296 H317 M318 L319 L348 E445	H296-K309 HydrophobicContact CB-CB 4.02Å; H296-K309 PolarHBondContact O-N 3.48Å; K309-H317 HydrophobicContact CD-CB 4.36Å; K309-H317 HydrophobicContact CG-CB 4.07Å; K309-H317 PolarHBondContact NZ-ND1 3.33Å; K309-M318 CarbonylContact C-O 3.6Å; K309-M318 WeakPolarHBondContact CA-O 3.19Å; K309-L319 HydrophobicContact CB-CD2 3.66Å; K309-L319 HydrophobicContact CG-CD2 4.16Å; K309-L348 HydrophobicContact CB-CD1 3.77Å; K309-L348 HydrophobicContact CD-CD1 4.29Å; K309-E445 WeakPolarHBondContact CE-OE2 3.32Å; K309-E445 IonicContact NZ-OE1 2.71Å; K309-E445 PolarHBondContact NZ-OE1 3.41Å; K309-E445 IonicContact NZ-OE2 3.32Å; K309-E445 PolarHBondContact NZ-OE2 2.85Å
310	L	91.4	Very high	92.4	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.6	178.2	-74.8	77.6	0	0	0	108.1	W262 Y295 V308 L312 H317 M318 L320 L355 L357	W262-L310 HydrophobicContact CZ3-CD2 3.97Å; Y295-L310 HydrophobicContact CD1-CG 4.45Å; Y295-L310 HydrophobicContact CE1-CG 4.2Å; V308-L310 HydrophobicContact CB-CD1 3.81Å; V308-L310 HydrophobicContact CG1-CD1 3.6Å; L310-L312 PolarHBondContact O-N 2.91Å; L310-H317 WeakPolarHBondContact O-CA 3.24Å; L310-M318 HydrophobicContact CB-CB 4.28Å; L310-M318 PolarHBondContact N-O 3.15Å; L310-M318 PolarHBondContact O-N 2.89Å; L310-L320 HydrophobicContact CD1-CB 4.14Å; L310-L320 HydrophobicContact CD1-CD1 3.45Å; L310-L320 VanDerWaalsContact CD1-CD1 3.45Å; L310-L320 HydrophobicContact CD1-CG 3.71Å; L310-L320 HydrophobicContact CD2-CD1 3.72Å; L310-L320 HydrophobicContact CG-CD1 4.25Å; L310-L355 HydrophobicContact CD1-CD2 4.12Å; L310-L355 HydrophobicContact CD2-CD2 3.76Å; L310-L355 HydrophobicContact CG-CD2 4.07Å; L310-L357 HydrophobicContact CD2-CD2 4.07Å
311	P	89.5	Confident	92.6	Very high	44 Å²	44	35 Å²	35	29%	0.286	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.6	172.7	-19.7	32.5	0	0	0	110.7	M263	M263-P311 HydrophobicContact CB-CB 4.17Å; M263-P311 WeakPolarHBondContact CB-O 3.15Å; M263-P311 HydrophobicContact CE-CB 3.6Å; M263-P311 HydrophobicContact SD-CB 3.65Å
312	L	87.8	Confident	92.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.			trans	-101.8	-45.4	173.9	-55.6	-175	0	0	0	110.2	F258 N261 W262 M263 L310 S316 M318 M412 V442	F258-L312 HydrophobicContact CE1-CD1 4.03Å; F258-L312 HydrophobicContact CZ-CD1 3.9Å; N261-L312 CarbonylContact O-C 3.58Å; N261-L312 WeakPolarHBondContact O-CA 3.35Å; N261-L312 VanDerWaalsContact O-O 3.05Å; W262-L312 HydrophobicContact CE3-CD2 3.98Å; W262-L312 HydrophobicContact CZ3-CD2 3.91Å; M263-L312 WeakPolarHBondContact CA-O 3.4Å; M263-L312 VanDerWaalsContact CB-O 3.25Å; M263-L312 WeakPolarHBondContact CB-O 3.33Å; M263-L312 PolarHBondContact N-O 2.79Å; L310-L312 PolarHBondContact O-N 2.91Å; L312-S316 WeakPolarHBondContact CB-OG 3.48Å; L312-S316 PolarHBondContact N-O 3.18Å; L312-M318 HydrophobicContact CD1-CB 4.21Å; L312-M318 HydrophobicContact CD2-CB 4.05Å; L312-M318 HydrophobicContact CD2-CE 4.4Å; L312-M318 HydrophobicContact CG-CB 4.21Å; L312-M412 HydrophobicContact CD2-CE 3.81Å; L312-V442 HydrophobicContact CD1-CG1 3.98Å; L312-V442 HydrophobicContact CD1-CG2 4.32Å
313	S	86.3	Confident	93.1	Very high	8 Å²	8	21.6 Å²	21.6	6%	0.056	10%	0.101	C	C	.	.	S	Bend	trans	-146.6	-176.9	171.7	66.1	0	0	0	0	109.8	D177 M263 Q315 S316	D177-S313 WeakPolarHBondContact OD2-CB 3.33Å; D177-S313 PolarHBondContact OD2-OG 2.62Å; M263-S313 WeakPolarHBondContact CE-O 3.38Å; S313-Q315 PolarHBondContact O-N 3.27Å; S313-Q315 PolarHBondContact OG-N 3.1Å; S313-S316 PolarHBondContact N-O 2.83Å; S313-S316 VanDerWaalsContact N-O 3.08Å; S313-S316 PolarHBondContact OG-N 3.28Å; S313-S316 VanDerWaalsContact OG-N 3.16Å
314	K	84.8	Confident	93.4	Very high	126 Å²	126	21.9 Å²	21.9	55%	0.548	10%	0.102	S	C	.	.	S	Bend	trans	-63.4	-23.1	173.9	-70.4	174.6	-173.7	144.8	0	111.9	E418	K314-E418 WeakPolarHBondContact CE-OE1 3.14Å; K314-E418 IonicContact NZ-OE1 3.84Å; K314-E418 PolarHBondContact NZ-OE1 3.29Å
315	Q	89.9	Confident	93.3	Very high	67 Å²	67	24.1 Å²	24.1	31%	0.313	12%	0.117	S	C	.	.	S	Bend	trans	-107.3	-8.1	-171.2	-41	-52.2	20.6	0	0	113.1	L170 V171 S313 E444 E445	L170-Q315 VanDerWaalsContact O-CB 3.26Å; L170-Q315 WeakPolarHBondContact O-CB 3.14Å; L170-Q315 VanDerWaalsContact O-CG 3.28Å; L170-Q315 WeakPolarHBondContact O-CG 3.08Å; V171-Q315 HydrophobicContact CG2-CB 4.44Å; S313-Q315 PolarHBondContact O-N 3.27Å; S313-Q315 PolarHBondContact OG-N 3.1Å; Q315-E444 CarbonylContact O-C 3.59Å; Q315-E444 WeakPolarHBondContact O-CA 3.06Å; Q315-E445 PolarHBondContact O-N 2.83Å
316	S	91.9	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.3	178.8	96.4	0	0	0	0	113.9	D177 L312 S313 I443	D177-S316 PolarHBondContact OD2-OG 3.01Å; L312-S316 WeakPolarHBondContact CB-OG 3.48Å; L312-S316 PolarHBondContact N-O 3.18Å; S313-S316 PolarHBondContact N-O 2.83Å; S313-S316 VanDerWaalsContact N-O 3.08Å; S313-S316 PolarHBondContact OG-N 3.28Å; S313-S316 VanDerWaalsContact OG-N 3.16Å; S316-I443 VanDerWaalsContact CA-O 3.25Å; S316-I443 WeakPolarHBondContact CA-O 3.1Å; S316-I443 WeakPolarHBondContact CB-O 3.47Å
317	H	92.9	Very high	92.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.4	173.9	64.4	-82.7	0	0	0	111.9	K309 L310 H345 I443 E445	K309-H317 HydrophobicContact CD-CB 4.36Å; K309-H317 HydrophobicContact CG-CB 4.07Å; K309-H317 PolarHBondContact NZ-ND1 3.33Å; L310-H317 WeakPolarHBondContact O-CA 3.24Å; H317-H345 AromaticContact CE1-NE2 3.62Å; H317-H345 AromaticContact NE2-CD2 3.96Å; H317-H345 AromaticContact NE2-CE1 3.92Å; H317-H345 AromaticContact NE2-NE2 2.98Å; H317-H345 PolarHBondContact NE2-NE2 3.18Å; H317-I443 PolarHBondContact N-O 2.93Å; H317-I443 PolarHBondContact O-N 2.9Å; H317-E445 IonicContact CE1-OE2 3.73Å; H317-E445 IonicContact CG-OE2 3.45Å; H317-E445 IonicContact ND1-OE2 2.76Å; H317-E445 PolarHBondContact ND1-OE2 2.86Å
318	M	94.3	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.2	169.1	-175.5	-175.3	-65	0	0	109.8	W262 K309 L310 L312 L320 F360 F410 M412 F440 S441 V442	W262-M318 HydrophobicContact CH2-CE 4.39Å; K309-M318 CarbonylContact C-O 3.6Å; K309-M318 WeakPolarHBondContact CA-O 3.19Å; L310-M318 HydrophobicContact CB-CB 4.28Å; L310-M318 PolarHBondContact N-O 3.15Å; L310-M318 PolarHBondContact O-N 2.89Å; L312-M318 HydrophobicContact CD1-CB 4.21Å; L312-M318 HydrophobicContact CD2-CB 4.05Å; L312-M318 HydrophobicContact CD2-CE 4.4Å; L312-M318 HydrophobicContact CG-CB 4.21Å; M318-L320 HydrophobicContact CG-CD2 4.15Å; M318-L320 HydrophobicContact CG-CG 4.29Å; M318-L320 HydrophobicContact SD-CD2 3.51Å; M318-L320 VanDerWaalsContact SD-CD2 3.51Å; M318-L320 HydrophobicContact SD-CG 3.95Å; M318-F360 HydrophobicContact CE-CZ 4.37Å; M318-F360 HydrophobicContact SD-CZ 4.42Å; M318-F410 HydrophobicContact CE-CE1 4.45Å; M318-F410 HydrophobicContact CE-CE2 4.01Å; M318-F410 HydrophobicContact CE-CZ 3.47Å; M318-F410 VanDerWaalsContact CE-CZ 3.47Å; M318-M412 HydrophobicContact CE-SD 4.36Å; M318-F440 HydrophobicContact CE-CD2 4.34Å; M318-F440 HydrophobicContact CG-CB 4.19Å; M318-F440 HydrophobicContact CG-CD2 4.48Å; M318-F440 HydrophobicContact SD-CB 4.18Å; M318-F440 HydrophobicContact SD-CD2 4.42Å; M318-S441 CarbonylContact C-O 3.49Å; M318-S441 VanDerWaalsContact CA-O 3.24Å; M318-S441 WeakPolarHBondContact CA-O 3.47Å; M318-V442 HydrophobicContact CE-CG2 4.44Å
319	L	95.5	Very high	92.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.8	160.5	-64.3	-175.6	0	0	0	109	V308 K309 M341 W344 H345 L348 F440 S441 I443	V308-L319 CarbonylContact O-C 3.52Å; V308-L319 WeakPolarHBondContact O-CA 3.19Å; K309-L319 HydrophobicContact CB-CD2 3.66Å; K309-L319 HydrophobicContact CG-CD2 4.16Å; L319-M341 HydrophobicContact CD1-CE 4.33Å; L319-W344 HydrophobicContact CD1-CE3 4.28Å; L319-H345 VanDerWaalsContact CD1-CE1 3.46Å; L319-H345 WeakPolarHBondContact CD1-CE1 3.27Å; L319-L348 HydrophobicContact CD2-CD1 4.22Å; L319-F440 CarbonylContact O-C 3.59Å; L319-F440 WeakPolarHBondContact O-CA 3.3Å; L319-S441 PolarHBondContact N-O 3.45Å; L319-S441 PolarHBondContact O-N 2.88Å; L319-I443 HydrophobicContact CD1-CD1 3.76Å; L319-I443 HydrophobicContact CG-CD1 4Å
320	L	96.2	Very high	92.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.2	168.8	-69	179	0	0	0	109.1	V307 V308 L310 M318 L357 F438 F440	V307-L320 CarbonylContact C-O 3.53Å; V307-L320 WeakPolarHBondContact CA-O 3.4Å; V308-L320 PolarHBondContact N-O 3.26Å; V308-L320 PolarHBondContact O-N 3.27Å; L310-L320 HydrophobicContact CD1-CB 4.14Å; L310-L320 HydrophobicContact CD1-CD1 3.45Å; L310-L320 VanDerWaalsContact CD1-CD1 3.45Å; L310-L320 HydrophobicContact CD1-CG 3.71Å; L310-L320 HydrophobicContact CD2-CD1 3.72Å; L310-L320 HydrophobicContact CG-CD1 4.25Å; M318-L320 HydrophobicContact CG-CD2 4.15Å; M318-L320 HydrophobicContact CG-CG 4.29Å; M318-L320 HydrophobicContact SD-CD2 3.51Å; M318-L320 VanDerWaalsContact SD-CD2 3.51Å; M318-L320 HydrophobicContact SD-CG 3.95Å; L320-L357 HydrophobicContact CD1-CD1 3.72Å; L320-L357 HydrophobicContact CD1-CD2 3.94Å; L320-L357 HydrophobicContact CD1-CG 4.44Å; L320-L357 HydrophobicContact CD2-CD1 4.46Å; L320-F438 HydrophobicContact CD2-CD2 3.96Å; L320-F438 HydrophobicContact CD2-CE2 3.85Å; L320-F440 HydrophobicContact CD2-CB 3.63Å
321	M	96.6	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.2	172.1	-179.5	-80.1	-61.3	0	0	110.1	C305 T306 V307 P323 L329 V332 W344 F438 F439	C305-M321 HydrophobicContact CB-CG 3.8Å; C305-M321 HydrophobicContact CB-SD 3.68Å; T306-M321 WeakPolarHBondContact O-CA 3.13Å; V307-M321 HydrophobicContact CG2-CB 4.37Å; V307-M321 HydrophobicContact CG2-CG 4.17Å; M321-P323 HydrophobicContact SD-CG 4Å; M321-L329 HydrophobicContact CE-CD1 3.53Å; M321-V332 HydrophobicContact CE-CB 3.83Å; M321-V332 HydrophobicContact CE-CG1 3.62Å; M321-V332 HydrophobicContact CG-CG1 4.25Å; M321-V332 HydrophobicContact SD-CB 4Å; M321-V332 HydrophobicContact SD-CG1 3.61Å; M321-V332 HydrophobicContact SD-CG2 4.32Å; M321-W344 HydrophobicContact CB-CH2 3.7Å; M321-W344 HydrophobicContact CB-CZ2 4.38Å; M321-W344 HydrophobicContact CB-CZ3 4.17Å; M321-W344 HydrophobicContact CG-CH2 3.54Å; M321-W344 HydrophobicContact CG-CZ2 3.8Å; M321-W344 HydrophobicContact CG-CZ3 4.46Å; M321-F438 WeakPolarHBondContact O-CA 3.46Å; M321-F438 WeakPolarHBondContact O-CB 3.44Å; M321-F439 HydrophobicContact CB-CB 4.31Å; M321-F439 HydrophobicContact CB-CD1 4.16Å; M321-F439 HydrophobicContact CE-CB 3.48Å; M321-F439 VanDerWaalsContact CE-CB 3.48Å; M321-F439 HydrophobicContact CE-CG 4.28Å; M321-F439 PolarHBondContact N-O 2.85Å; M321-F439 PolarHBondContact O-N 2.86Å
322	L	97.4	Very high	92.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.2	176.2	-173.7	68.6	0	0	0	109.8	C305 T306 L432 I434 R436 F438	C305-L322 CarbonylContact C-O 3.54Å; C305-L322 WeakPolarHBondContact CA-O 3.32Å; T306-L322 PolarHBondContact N-O 2.77Å; T306-L322 PolarHBondContact O-N 2.94Å; L322-L432 HydrophobicContact CD2-CD1 3.89Å; L322-I434 HydrophobicContact CB-CD1 4.1Å; L322-I434 HydrophobicContact CD1-CD1 4.47Å; L322-I434 HydrophobicContact CD1-CG2 4.31Å; L322-I434 HydrophobicContact CD2-CD1 3.87Å; L322-I434 HydrophobicContact CG-CD1 4.38Å; L322-R436 HydrophobicContact CD1-CG 3.63Å; L322-R436 VanDerWaalsContact CD2-NH2 3.29Å; L322-F438 HydrophobicContact CD1-CB 4.11Å
323	P	96.2	Very high	92.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	143.4	172.1	-22	32.7	0	0	0	111.4	M321 T327 L329 V332 R436 P437	M321-P323 HydrophobicContact SD-CG 4Å; P323-T327 HydrophobicContact CB-CG2 4.49Å; P323-T327 VanDerWaalsContact CB-O 3.32Å; P323-T327 WeakPolarHBondContact CB-O 3.3Å; P323-L329 HydrophobicContact CG-CB 4.19Å; P323-L329 HydrophobicContact CG-CD1 3.87Å; P323-V332 HydrophobicContact CB-CG2 4.28Å; P323-V332 HydrophobicContact CG-CG2 4.41Å; P323-R436 VanDerWaalsContact O-CZ 3.3Å; P323-R436 PolarHBondContact O-NE 2.86Å; P323-R436 PolarHBondContact O-NH2 2.9Å; P323-P437 WeakPolarHBondContact CD-O 3.08Å
324	H	95.7	Very high	92.3	Very high	38 Å²	38	40.1 Å²	40.1	18%	0.176	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-64.4	159.3	170.1	-65.9	172.1	0	0	0	110.7	N299 R304 C305 T306 T327	N299-H324 PolarHBondContact OD1-CE1 2.93Å; N299-H324 PolarHBondContact OD1-NE2 3.48Å; N299-H324 VanDerWaalsContact OD1-NE2 3.11Å; R304-H324 WeakPolarHBondContact CA-ND1 3.38Å; R304-H324 HydrophobicContact CB-CB 4.34Å; R304-H324 WeakPolarHBondContact O-CB 3.45Å; R304-H324 PolarHBondContact O-N 3.31Å; C305-H324 VanDerWaalsContact CA-CD2 3.5Å; C305-H324 WeakPolarHBondContact CA-CD2 3.07Å; C305-H324 WeakPolarHBondContact CA-NE2 3.39Å; C305-H324 PolarHBondContact N-CE1 3.11Å; C305-H324 PolarHBondContact N-NE2 3.48Å; C305-H324 PolarHBondContact O-NE2 3.33Å; T306-H324 PolarHBondContact N-NE2 3.4Å; T306-H324 PolarHBondContact OG1-NE2 3.04Å; H324-T327 WeakPolarHBondContact O-CB 3.09Å; H324-T327 PolarHBondContact O-N 2.88Å
325	E	91.9	Very high	92.3	Very high	158 Å²	158	37.7 Å²	37.7	74%	0.738	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	143.5	173.3	-65.6	-176.8	177.1	0	0	111.7	R304 T327	R304-E325 PolarHBondContact NH2-O 3.07Å; R304-E325 VanDerWaalsContact NH2-O 3.08Å; E325-T327 PolarHBondContact O-N 3.49Å
326	G	90.3	Very high	91.9	Very high	86 Å²	86	34.5 Å²	34.5	89%	0.887	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	13.9	-173	0	0	0	0	0	114.4
327	T	92.6	Very high	91.2	Very high	23 Å²	23	39.1 Å²	39.1	14%	0.141	23%	0.227	C	C	.	.			trans	-127.6	128.6	174.4	-59.2	0	0	0	0	109.9	R304 P323 H324 E325 H331 V332	R304-T327 HydrophobicContact CB-CG2 4.26Å; R304-T327 PolarHBondContact NE-OG1 3.07Å; P323-T327 HydrophobicContact CB-CG2 4.49Å; P323-T327 VanDerWaalsContact CB-O 3.32Å; P323-T327 WeakPolarHBondContact CB-O 3.3Å; H324-T327 WeakPolarHBondContact O-CB 3.09Å; H324-T327 PolarHBondContact O-N 2.88Å; E325-T327 PolarHBondContact O-N 3.49Å; T327-H331 HydrophobicContact CG2-CB 3.96Å; T327-V332 HydrophobicContact CG2-CG2 3.99Å
328	T	92.1	Very high	90.2	Very high	98 Å²	98	41 Å²	41	60%	0.601	24%	0.243	S	C	*	.			trans	-78.6	153.4	-179.6	64.1	0	0	0	0	111	G330 H331	T328-G330 VanDerWaalsContact C-N 3.27Å; T328-G330 PolarHBondContact O-N 2.84Å; T328-H331 WeakPolarHBondContact O-CB 3.17Å; T328-H331 PolarHBondContact O-N 2.83Å; T328-H331 VanDerWaalsContact O-N 3.1Å; T328-H331 PolarHBondContact OG1-N 2.97Å
329	L	93	Very high	89.2	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-55.3	-45.2	173.6	-177.9	59.8	0	0	0	111.6	M321 P323 H331 V332 E333 P437 F439 K455	M321-L329 HydrophobicContact CE-CD1 3.53Å; P323-L329 HydrophobicContact CG-CB 4.19Å; P323-L329 HydrophobicContact CG-CD1 3.87Å; L329-H331 PolarHBondContact O-N 2.86Å; L329-V332 PolarHBondContact O-N 2.85Å; L329-V332 VanDerWaalsContact O-N 3.12Å; L329-E333 WeakPolarHBondContact O-CB 3.39Å; L329-E333 PolarHBondContact O-N 2.89Å; L329-P437 HydrophobicContact CB-CB 4.26Å; L329-P437 HydrophobicContact CD2-CB 4.08Å; L329-F439 HydrophobicContact CD1-CB 4Å; L329-K455 HydrophobicContact CD2-CB 3.78Å; L329-K455 HydrophobicContact CD2-CD 4.22Å
330	G	90.6	Very high	88.2	Confident	28 Å²	28	46.8 Å²	46.8	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-29.9	178.1	0	0	0	0	0	114.1	T328 N334	T328-G330 VanDerWaalsContact C-N 3.27Å; T328-G330 PolarHBondContact O-N 2.84Å; G330-N334 WeakPolarHBondContact O-CB 3.43Å; G330-N334 VanDerWaalsContact O-CG 3.24Å; G330-N334 PolarHBondContact O-N 2.92Å; G330-N334 PolarHBondContact O-ND2 3.02Å
331	H	89.7	Confident	87.4	Confident	80 Å²	80	47 Å²	47	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-42.3	176.5	179.7	83.3	0	0	0	112.2	T327 T328 L329 K335	T327-H331 HydrophobicContact CG2-CB 3.96Å; T328-H331 WeakPolarHBondContact O-CB 3.17Å; T328-H331 PolarHBondContact O-N 2.83Å; T328-H331 VanDerWaalsContact O-N 3.1Å; T328-H331 PolarHBondContact OG1-N 2.97Å; L329-H331 PolarHBondContact O-N 2.86Å; H331-K335 PolarHBondContact NE2-NZ 2.82Å
332	V	90.9	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-79	-39.5	178.6	-172.8	0	0	0	0	110.1	C305 M321 P323 T327 L329 N334 K335 L336 F340	C305-V332 HydrophobicContact CB-CG1 4.12Å; C305-V332 HydrophobicContact CB-CG2 4.24Å; M321-V332 HydrophobicContact CE-CB 3.83Å; M321-V332 HydrophobicContact CE-CG1 3.62Å; M321-V332 HydrophobicContact CG-CG1 4.25Å; M321-V332 HydrophobicContact SD-CB 4Å; M321-V332 HydrophobicContact SD-CG1 3.61Å; M321-V332 HydrophobicContact SD-CG2 4.32Å; P323-V332 HydrophobicContact CB-CG2 4.28Å; P323-V332 HydrophobicContact CG-CG2 4.41Å; T327-V332 HydrophobicContact CG2-CG2 3.99Å; L329-V332 PolarHBondContact O-N 2.85Å; L329-V332 VanDerWaalsContact O-N 3.12Å; V332-N334 PolarHBondContact O-N 2.85Å; V332-K335 WeakPolarHBondContact O-CB 3.42Å; V332-K335 PolarHBondContact O-N 3.06Å; V332-L336 PolarHBondContact O-N 2.77Å; V332-F340 HydrophobicContact CG1-CE1 4.26Å; V332-F340 HydrophobicContact CG1-CZ 4.45Å
333	E	89.1	Confident	85.8	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-55.5	-48.5	177.4	-166.2	-178.2	-167.9	0	0	110.9	Y100 H101 S104 L329 K335 L336 K455	Y100-E333 HydrophobicContact CE1-CG 4.08Å; Y100-E333 WeakPolarHBondContact CE1-OE1 3.38Å; Y100-E333 PolarHBondContact OH-OE1 2.92Å; Y100-E333 VanDerWaalsContact OH-OE1 3.11Å; H101-E333 PolarHBondContact CE1-O 2.85Å; S104-E333 WeakPolarHBondContact CB-OE1 3.46Å; S104-E333 PolarHBondContact OG-OE1 3.23Å; L329-E333 WeakPolarHBondContact O-CB 3.39Å; L329-E333 PolarHBondContact O-N 2.89Å; E333-K335 PolarHBondContact O-N 3.08Å; E333-L336 HydrophobicContact CB-CD1 4.3Å; E333-L336 HydrophobicContact CG-CD1 3.95Å; E333-L336 VanDerWaalsContact O-CB 3.23Å; E333-L336 WeakPolarHBondContact O-CB 3.42Å; E333-L336 WeakPolarHBondContact O-CG 3.41Å; E333-L336 PolarHBondContact O-N 2.97Å; E333-K455 IonicContact OE1-NZ 3.31Å; E333-K455 IonicContact OE2-NZ 2.72Å
334	N	86.3	Confident	85.4	Confident	101 Å²	101	49.3 Å²	49.3	54%	0.54	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.3	178.3	-76.6	-41.3	0	0	0	114.9	G330 V332	G330-N334 WeakPolarHBondContact O-CB 3.43Å; G330-N334 VanDerWaalsContact O-CG 3.24Å; G330-N334 PolarHBondContact O-N 2.92Å; G330-N334 PolarHBondContact O-ND2 3.02Å; V332-N334 PolarHBondContact O-N 2.85Å
335	K	85.4	Confident	84.8	Confident	74 Å²	74	49.4 Å²	49.4	32%	0.322	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.7	175.8	-61.4	173.8	177.6	174.4	0	113.4	H331 V332 E333 L337 F340	H331-K335 PolarHBondContact NE2-NZ 2.82Å; V332-K335 WeakPolarHBondContact O-CB 3.42Å; V332-K335 PolarHBondContact O-N 3.06Å; E333-K335 PolarHBondContact O-N 3.08Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.08Å; K335-F340 WeakPolarHBondContact O-CB 3.3Å; K335-F340 WeakPolarHBondContact O-CD1 3.24Å
336	L	81	Confident	84.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.308	C	S	.	.			trans	-65.9	83.3	177.4	-68.2	171.6	0	0	0	111.4	L97 H101 V332 E333 F340 M341 W344 F439	L97-L336 HydrophobicContact CD2-CB 4.43Å; H101-L336 PolarHBondContact NE2-O 3.32Å; V332-L336 PolarHBondContact O-N 2.77Å; E333-L336 HydrophobicContact CB-CD1 4.3Å; E333-L336 HydrophobicContact CG-CD1 3.95Å; E333-L336 VanDerWaalsContact O-CB 3.23Å; E333-L336 WeakPolarHBondContact O-CB 3.42Å; E333-L336 WeakPolarHBondContact O-CG 3.41Å; E333-L336 PolarHBondContact O-N 2.97Å; L336-F340 HydrophobicContact CD2-CD1 3.92Å; L336-F340 HydrophobicContact CD2-CE1 4Å; L336-M341 HydrophobicContact CD2-CG 4.38Å; L336-W344 HydrophobicContact CD2-CH2 3.44Å; L336-W344 VanDerWaalsContact CD2-CH2 3.44Å; L336-W344 HydrophobicContact CD2-CZ2 4.26Å; L336-W344 HydrophobicContact CD2-CZ3 3.86Å; L336-F439 HydrophobicContact CD1-CD1 4.37Å; L336-F439 HydrophobicContact CD1-CD2 3.77Å; L336-F439 HydrophobicContact CD1-CE1 4.28Å; L336-F439 HydrophobicContact CD1-CE2 3.67Å; L336-F439 HydrophobicContact CD1-CG 4.12Å; L336-F439 HydrophobicContact CD1-CZ 3.93Å; L336-F439 HydrophobicContact CD2-CE1 4.41Å
337	L	77.2	Confident	84.6	Confident	97 Å²	97	50.7 Å²	50.7	51%	0.508	29%	0.288	S	S	.	.			trans	-105.4	161	167	-62.4	175.2	0	0	0	109.7	K335 S339 F340 M341	K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.08Å; L337-S339 PolarHBondContact O-N 2.91Å; L337-F340 WeakPolarHBondContact O-CA 3.42Å; L337-F340 VanDerWaalsContact O-CB 3.26Å; L337-F340 WeakPolarHBondContact O-CB 3.12Å; L337-F340 PolarHBondContact O-N 2.88Å; L337-M341 PolarHBondContact O-N 2.94Å; L337-M341 VanDerWaalsContact O-N 3.13Å
338	A	72.1	Confident	84.7	Confident	41 Å²	41	50.7 Å²	50.7	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-56.8	-38.5	179.7	0	0	0	0	0	112.2	P94 L97 F340 M341 G342	P94-A338 HydrophobicContact CB-CB 4.07Å; L97-A338 HydrophobicContact CD1-CB 4.09Å; L97-A338 VanDerWaalsContact CD1-N 3.34Å; A338-F340 PolarHBondContact O-N 3.04Å; A338-M341 PolarHBondContact O-N 2.89Å; A338-G342 PolarHBondContact O-N 3.14Å
339	S	73.3	Confident	84.8	Confident	97 Å²	97	55.3 Å²	55.3	68%	0.678	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-31.8	174.2	53.7	0	0	0	0	113.2	L337 G343	L337-S339 PolarHBondContact O-N 2.91Å; S339-G343 PolarHBondContact O-N 2.72Å
340	F	75.6	Confident	84.8	Confident	26 Å²	26	60.3 Å²	60.3	11%	0.114	32%	0.317	C	S	.	.	H	α-helix	trans	-73	-47.2	179.2	-177.2	-122.2	0	0	0	111.2	N303 V332 K335 L336 L337 A338 G342 G343 W344	N303-F340 HydrophobicContact CB-CE2 3.77Å; N303-F340 HydrophobicContact CB-CZ 3.63Å; N303-F340 WeakPolarHBondContact ND2-CE2 3.32Å; V332-F340 HydrophobicContact CG1-CE1 4.26Å; V332-F340 HydrophobicContact CG1-CZ 4.45Å; K335-F340 WeakPolarHBondContact O-CB 3.3Å; K335-F340 WeakPolarHBondContact O-CD1 3.24Å; L336-F340 HydrophobicContact CD2-CD1 3.92Å; L336-F340 HydrophobicContact CD2-CE1 4Å; L337-F340 WeakPolarHBondContact O-CA 3.42Å; L337-F340 VanDerWaalsContact O-CB 3.26Å; L337-F340 WeakPolarHBondContact O-CB 3.12Å; L337-F340 PolarHBondContact O-N 2.88Å; A338-F340 PolarHBondContact O-N 3.04Å; F340-G342 VanDerWaalsContact C-N 3.35Å; F340-G342 PolarHBondContact O-N 2.67Å; F340-G343 WeakPolarHBondContact O-CA 3.21Å; F340-G343 PolarHBondContact O-N 2.74Å; F340-W344 HydrophobicContact CD1-CH2 4.37Å; F340-W344 AromaticContact CD1-CZ2 3.9Å; F340-W344 HydrophobicContact CD1-CZ2 3.9Å; F340-W344 AromaticContact CE1-CE2 3.54Å; F340-W344 AromaticContact CE1-CH2 3.79Å; F340-W344 HydrophobicContact CE1-CH2 3.79Å; F340-W344 AromaticContact CE1-CZ2 3.09Å; F340-W344 HydrophobicContact CE1-CZ2 3.09Å; F340-W344 AromaticContact CE1-NE1 3.87Å; F340-W344 HydrophobicContact CE2-CZ2 4.34Å; F340-W344 AromaticContact CE2-NE1 3.51Å; F340-W344 AromaticContact CZ-CE2 3.51Å; F340-W344 HydrophobicContact CZ-CH2 4.45Å; F340-W344 AromaticContact CZ-CZ2 3.35Å; F340-W344 HydrophobicContact CZ-CZ2 3.35Å; F340-W344 AromaticContact CZ-NE1 3.34Å; F340-W344 VanDerWaalsContact CZ-NE1 3.34Å; F340-W344 PolarHBondContact O-N 3.4Å; F340-W344 VanDerWaalsContact O-N 3.16Å
341	M	78.3	Confident	84.8	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.034	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-36	174.9	-68.3	-175.2	70.6	0	0	112.9	L97 L319 L336 L337 A338 G343 W344 H345 S441 I443 I450	L97-M341 HydrophobicContact CD1-SD 4.03Å; L97-M341 HydrophobicContact CD2-SD 3.76Å; L97-M341 HydrophobicContact CG-SD 4.43Å; L319-M341 HydrophobicContact CD1-CE 4.33Å; L336-M341 HydrophobicContact CD2-CG 4.38Å; L337-M341 PolarHBondContact O-N 2.94Å; L337-M341 VanDerWaalsContact O-N 3.13Å; A338-M341 PolarHBondContact O-N 2.89Å; M341-G343 PolarHBondContact O-N 2.97Å; M341-W344 HydrophobicContact CG-CE3 4.23Å; M341-W344 HydrophobicContact CG-CZ3 4.26Å; M341-W344 WeakPolarHBondContact O-CB 3.35Å; M341-W344 PolarHBondContact O-N 3.47Å; M341-H345 PolarHBondContact O-N 3.48Å; M341-H345 PolarHBondContact O-ND1 3.43Å; M341-H345 VanDerWaalsContact O-ND1 3.09Å; M341-S441 WeakPolarHBondContact CE-OG 3.47Å; M341-I443 HydrophobicContact CE-CD1 3.94Å; M341-I450 HydrophobicContact CE-CD1 4.11Å; M341-I450 HydrophobicContact SD-CD1 3.96Å
342	G	79.4	Confident	85	Confident	25 Å²	25	56.6 Å²	56.6	26%	0.258	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-28.4	171.8	0	0	0	0	0	112.9	A338 F340 K346	A338-G342 PolarHBondContact O-N 3.14Å; F340-G342 VanDerWaalsContact C-N 3.35Å; F340-G342 PolarHBondContact O-N 2.67Å; G342-K346 WeakPolarHBondContact O-CG 3.41Å; G342-K346 PolarHBondContact O-N 3.27Å
343	G	82.1	Confident	85	Confident	24 Å²	24	56.7 Å²	56.7	25%	0.247	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-38.8	170.7	0	0	0	0	0	112.6	S339 F340 M341 N347	S339-G343 PolarHBondContact O-N 2.72Å; F340-G343 WeakPolarHBondContact O-CA 3.21Å; F340-G343 PolarHBondContact O-N 2.74Å; M341-G343 PolarHBondContact O-N 2.97Å; G343-N347 PolarHBondContact O-N 2.8Å; G343-N347 PolarHBondContact O-ND2 3.46Å
344	W	86.3	Confident	85.2	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-52.6	175.2	-65.7	-19.4	0	0	0	111.6	V307 L319 M321 L336 F340 M341 K346 N347 L348	V307-W344 HydrophobicContact CB-CD2 4.48Å; V307-W344 HydrophobicContact CG1-CB 4.42Å; V307-W344 HydrophobicContact CG1-CD2 4.13Å; V307-W344 HydrophobicContact CG1-CE3 4.04Å; V307-W344 HydrophobicContact CG1-CG 4.34Å; V307-W344 HydrophobicContact CG2-CD2 3.65Å; V307-W344 VanDerWaalsContact CG2-CE2 3.48Å; V307-W344 HydrophobicContact CG2-CE3 4.13Å; V307-W344 HydrophobicContact CG2-CG 3.98Å; V307-W344 HydrophobicContact CG2-CH2 4.23Å; V307-W344 HydrophobicContact CG2-CZ2 3.76Å; V307-W344 HydrophobicContact CG2-CZ3 4.41Å; L319-W344 HydrophobicContact CD1-CE3 4.28Å; M321-W344 HydrophobicContact CB-CH2 3.7Å; M321-W344 HydrophobicContact CB-CZ2 4.38Å; M321-W344 HydrophobicContact CB-CZ3 4.17Å; M321-W344 HydrophobicContact CG-CH2 3.54Å; M321-W344 HydrophobicContact CG-CZ2 3.8Å; M321-W344 HydrophobicContact CG-CZ3 4.46Å; L336-W344 HydrophobicContact CD2-CH2 3.44Å; L336-W344 VanDerWaalsContact CD2-CH2 3.44Å; L336-W344 HydrophobicContact CD2-CZ2 4.26Å; L336-W344 HydrophobicContact CD2-CZ3 3.86Å; F340-W344 HydrophobicContact CD1-CH2 4.37Å; F340-W344 AromaticContact CD1-CZ2 3.9Å; F340-W344 HydrophobicContact CD1-CZ2 3.9Å; F340-W344 AromaticContact CE1-CE2 3.54Å; F340-W344 AromaticContact CE1-CH2 3.79Å; F340-W344 HydrophobicContact CE1-CH2 3.79Å; F340-W344 AromaticContact CE1-CZ2 3.09Å; F340-W344 HydrophobicContact CE1-CZ2 3.09Å; F340-W344 AromaticContact CE1-NE1 3.87Å; F340-W344 HydrophobicContact CE2-CZ2 4.34Å; F340-W344 AromaticContact CE2-NE1 3.51Å; F340-W344 AromaticContact CZ-CE2 3.51Å; F340-W344 HydrophobicContact CZ-CH2 4.45Å; F340-W344 AromaticContact CZ-CZ2 3.35Å; F340-W344 HydrophobicContact CZ-CZ2 3.35Å; F340-W344 AromaticContact CZ-NE1 3.34Å; F340-W344 VanDerWaalsContact CZ-NE1 3.34Å; F340-W344 PolarHBondContact O-N 3.4Å; F340-W344 VanDerWaalsContact O-N 3.16Å; M341-W344 HydrophobicContact CG-CE3 4.23Å; M341-W344 HydrophobicContact CG-CZ3 4.26Å; M341-W344 WeakPolarHBondContact O-CB 3.35Å; M341-W344 PolarHBondContact O-N 3.47Å; W344-K346 PolarHBondContact O-N 3.37Å; W344-K346 VanDerWaalsContact O-N 3.14Å; W344-N347 PolarHBondContact O-N 3.04Å; W344-L348 WeakPolarHBondContact O-CG 3.3Å; W344-L348 PolarHBondContact O-N 3.42Å
345	H	82.7	Confident	85.5	Confident	41 Å²	41	53.6 Å²	53.6	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-51.1	-42.3	-179.9	-79.6	85.8	0	0	0	113	H317 L319 M341 N347 E448	H317-H345 AromaticContact CE1-NE2 3.62Å; H317-H345 AromaticContact NE2-CD2 3.96Å; H317-H345 AromaticContact NE2-CE1 3.92Å; H317-H345 AromaticContact NE2-NE2 2.98Å; H317-H345 PolarHBondContact NE2-NE2 3.18Å; L319-H345 VanDerWaalsContact CD1-CE1 3.46Å; L319-H345 WeakPolarHBondContact CD1-CE1 3.27Å; M341-H345 PolarHBondContact O-N 3.48Å; M341-H345 PolarHBondContact O-ND1 3.43Å; M341-H345 VanDerWaalsContact O-ND1 3.09Å; H345-N347 VanDerWaalsContact C-N 3.32Å; H345-N347 PolarHBondContact O-N 2.87Å; H345-E448 IonicContact CD2-OE1 2.9Å; H345-E448 IonicContact CG-OE1 2.77Å
346	K	86.9	Confident	86	Confident	180 Å²	180	50.6 Å²	50.6	78%	0.783	27%	0.267	S	S	*	.	H	α-helix	trans	-71.4	-22.3	-179	-68.9	177	-176.2	-179.4	0	114.8	G342 W344	G342-K346 WeakPolarHBondContact O-CG 3.41Å; G342-K346 PolarHBondContact O-N 3.27Å; W344-K346 PolarHBondContact O-N 3.37Å; W344-K346 VanDerWaalsContact O-N 3.14Å
347	N	92.6	Very high	86.6	Confident	90 Å²	90	50.6 Å²	50.6	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-113.2	-5.9	-169.4	-70.1	-60.8	0	0	0	113.8	L298 G343 W344 H345	L298-N347 HydrophobicContact CD1-CB 4.1Å; L298-N347 HydrophobicContact CD2-CB 3.86Å; G343-N347 PolarHBondContact O-N 2.8Å; G343-N347 PolarHBondContact O-ND2 3.46Å; W344-N347 PolarHBondContact O-N 3.04Å; H345-N347 VanDerWaalsContact C-N 3.32Å; H345-N347 PolarHBondContact O-N 2.87Å
348	L	93.9	Very high	87.4	Confident	23 Å²	23	46 Å²	46	12%	0.12	24%	0.243	C	C	.	.			trans	-57.5	140.1	171.5	-73.2	167.6	0	0	0	110.5	H296 L298 V307 K309 L319 W344	H296-L348 HydrophobicContact CB-CB 4.19Å; L298-L348 HydrophobicContact CB-CD2 3.94Å; V307-L348 HydrophobicContact CG1-CD2 4.39Å; K309-L348 HydrophobicContact CB-CD1 3.77Å; K309-L348 HydrophobicContact CD-CD1 4.29Å; L319-L348 HydrophobicContact CD2-CD1 4.22Å; W344-L348 WeakPolarHBondContact O-CG 3.3Å; W344-L348 PolarHBondContact O-N 3.42Å
349	R	93.9	Very high	88.2	Confident	196 Å²	196	48.3 Å²	48.3	74%	0.74	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.3	176.3	-60.6	-175.5	-177	-166.8	-1.8	109.5	H296 Y297	H296-R349 CarbonylContact C-O 3.57Å; H296-R349 WeakPolarHBondContact CA-O 3.5Å; Y297-R349 PolarHBondContact N-O 2.76Å; Y297-R349 PolarHBondContact O-N 2.92Å
350	E	93.2	Very high	89.1	Confident	121 Å²	121	44.7 Å²	44.7	57%	0.565	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.3	174.3	-169	172.7	-159.9	0	0	110.8	N294 Y295	N294-E350 HydrophobicContact CB-CG 4.17Å; Y295-E350 CarbonylContact O-C 3.54Å; Y295-E350 WeakPolarHBondContact O-CA 3.5Å
351	G	91.5	Very high	89.9	Confident	11 Å²	11	47.1 Å²	47.1	11%	0.113	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	163.8	166.2	0	0	0	0	0	112.8	Y295 L353	Y295-G351 PolarHBondContact N-O 3.49Å; Y295-G351 PolarHBondContact O-N 3.42Å; G351-L353 PolarHBondContact O-N 2.9Å
352	L	92.4	Very high	90.6	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.3	-177	-169.1	68.3	0	0	0	111.6	T292 N294 P423 G427 A429 L430	T292-L352 HydrophobicContact CG2-CD1 3.97Å; T292-L352 HydrophobicContact CG2-CG 4.21Å; N294-L352 WeakPolarHBondContact OD1-CA 3.34Å; N294-L352 WeakPolarHBondContact OD1-CD1 3.04Å; L352-P423 HydrophobicContact CD1-CB 3.57Å; L352-G427 VanDerWaalsContact CD2-O 3.31Å; L352-G427 WeakPolarHBondContact CD2-O 3.42Å; L352-A429 HydrophobicContact CD2-CB 4.01Å; L352-A429 HydrophobicContact CG-CB 3.85Å; L352-L430 PolarHBondContact O-N 3Å
353	L	92.3	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.1	-178.4	-177.3	79.8	0	0	0	110.6	T292 Y293 Y295 V308 G351 L355 L430 L432	T292-L353 VanDerWaalsContact CA-O 3.31Å; T292-L353 WeakPolarHBondContact CA-O 3.44Å; Y293-L353 PolarHBondContact N-O 2.94Å; Y293-L353 PolarHBondContact O-N 2.97Å; Y295-L353 HydrophobicContact CD2-CB 3.91Å; Y295-L353 HydrophobicContact CD2-CD2 4.22Å; V308-L353 HydrophobicContact CG1-CD2 4.21Å; V308-L353 HydrophobicContact CG2-CD2 4.18Å; G351-L353 PolarHBondContact O-N 2.9Å; L353-L355 HydrophobicContact CD2-CB 4.13Å; L353-L355 HydrophobicContact CD2-CD1 4.31Å; L353-L355 HydrophobicContact CG-CB 4.47Å; L353-L430 CarbonylContact C-O 3.55Å; L353-L430 VanDerWaalsContact CA-O 3.31Å; L353-L430 WeakPolarHBondContact CA-O 3.48Å; L353-L430 HydrophobicContact CD1-CB 3.96Å; L353-L430 HydrophobicContact CD1-CD2 4.07Å; L353-L430 HydrophobicContact CD1-CG 3.96Å; L353-L430 WeakPolarHBondContact CD1-O 3.36Å; L353-L432 HydrophobicContact CD1-CB 3.56Å; L353-L432 HydrophobicContact CD2-CB 4.08Å; L353-L432 HydrophobicContact CD2-CD2 4.01Å; L353-L432 HydrophobicContact CG-CB 4.14Å
354	E	92.6	Very high	92	Very high	49 Å²	49	48.9 Å²	48.9	23%	0.229	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	100.8	162.5	179	175	96.7	0	0	107.7	T290 R291 A429 L430 K431 L432	T290-E354 HydrophobicContact CG2-CG 3.77Å; R291-E354 WeakPolarHBondContact O-CA 3.34Å; E354-A429 HydrophobicContact CB-CB 4.18Å; E354-L430 PolarHBondContact N-O 3.37Å; E354-K431 HydrophobicContact CB-CG 4.37Å; E354-K431 WeakPolarHBondContact OE1-CD 3.43Å; E354-K431 WeakPolarHBondContact OE1-CE 3.32Å; E354-K431 IonicContact OE1-NZ 2.72Å; E354-K431 PolarHBondContact OE1-NZ 2.9Å; E354-L432 PolarHBondContact O-N 3.28Å
355	L	93.7	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.3	-177.5	-179.9	63.9	0	0	0	110.2	T290 R291 Y295 L310 L353 L432 I434	T290-L355 WeakPolarHBondContact CA-O 3.39Å; R291-L355 PolarHBondContact N-O 2.81Å; R291-L355 PolarHBondContact O-N 2.78Å; Y295-L355 HydrophobicContact CE1-CD2 4.4Å; Y295-L355 HydrophobicContact CE2-CB 4.03Å; L310-L355 HydrophobicContact CD1-CD2 4.12Å; L310-L355 HydrophobicContact CD2-CD2 3.76Å; L310-L355 HydrophobicContact CG-CD2 4.07Å; L353-L355 HydrophobicContact CD2-CB 4.13Å; L353-L355 HydrophobicContact CD2-CD1 4.31Å; L353-L355 HydrophobicContact CG-CB 4.47Å; L355-L432 WeakPolarHBondContact CA-O 3.38Å; L355-L432 HydrophobicContact CD1-CB 4.35Å; L355-L432 HydrophobicContact CD1-CD2 4.02Å; L355-L432 HydrophobicContact CD1-CG 4.2Å; L355-I434 HydrophobicContact CD1-CD1 4.1Å; L355-I434 HydrophobicContact CD1-CG1 3.91Å
356	S	94.1	Very high	93	Very high	12 Å²	12	50 Å²	50	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120	169.4	-57.1	0	0	0	0	109.5	M289 T290 L432 I434	M289-S356 CarbonylContact O-C 3.54Å; M289-S356 VanDerWaalsContact O-CA 3.31Å; M289-S356 WeakPolarHBondContact O-CA 3.32Å; T290-S356 PolarHBondContact OG1-OG 3.19Å; S356-L432 PolarHBondContact N-O 3Å; S356-I434 WeakPolarHBondContact O-CB 3.37Å; S356-I434 WeakPolarHBondContact O-CG1 3.1Å; S356-I434 PolarHBondContact O-N 3.02Å
357	L	94.1	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.1	-175.2	179.7	63.5	0	0	0	110.1	W262 F266 M289 L310 L320 F360 I434 F438	W262-L357 HydrophobicContact CH2-CD2 3.68Å; W262-L357 HydrophobicContact CZ2-CD2 4.37Å; W262-L357 HydrophobicContact CZ3-CD2 4.31Å; F266-L357 HydrophobicContact CE1-CB 4.35Å; F266-L357 HydrophobicContact CE2-CD2 4.28Å; F266-L357 HydrophobicContact CZ-CB 4.06Å; F266-L357 HydrophobicContact CZ-CD2 3.94Å; M289-L357 HydrophobicContact CE-CD2 4.49Å; M289-L357 PolarHBondContact N-O 2.75Å; M289-L357 PolarHBondContact O-N 2.77Å; L310-L357 HydrophobicContact CD2-CD2 4.07Å; L320-L357 HydrophobicContact CD1-CD1 3.72Å; L320-L357 HydrophobicContact CD1-CD2 3.94Å; L320-L357 HydrophobicContact CD1-CG 4.44Å; L320-L357 HydrophobicContact CD2-CD1 4.46Å; L357-F360 HydrophobicContact CD1-CE1 4.19Å; L357-F360 HydrophobicContact CG-CE1 4.47Å; L357-I434 HydrophobicContact CD1-CB 4.07Å; L357-I434 HydrophobicContact CD1-CG1 4.02Å; L357-I434 HydrophobicContact CD1-CG2 4.08Å; L357-F438 HydrophobicContact CD1-CE2 4.41Å; L357-F438 HydrophobicContact CD1-CZ 4.22Å
358	P	93.6	Very high	93.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	146.7	172.1	23.2	-35.4	0	0	0	111.3	F276 T286 F360 I434 F438 P459	F276-P358 HydrophobicContact CD2-CG 4.13Å; F276-P358 HydrophobicContact CE2-CG 4.08Å; T286-P358 HydrophobicContact CG2-CB 3.71Å; P358-F360 VanDerWaalsContact O-CD1 3.32Å; P358-F360 WeakPolarHBondContact O-CD1 3.38Å; P358-I434 WeakPolarHBondContact CD-O 3.25Å; P358-F438 HydrophobicContact CG-CE1 3.93Å; P358-F438 HydrophobicContact CG-CZ 4.36Å; P358-P459 HydrophobicContact CB-CB 3.86Å; P358-P459 HydrophobicContact CB-CG 4.07Å; P358-P459 HydrophobicContact CG-CB 4.29Å; P358-P459 HydrophobicContact CG-CG 4.46Å
359	K	90.4	Very high	93.9	Very high	88 Å²	88	40.8 Å²	40.8	38%	0.383	21%	0.209	S	C	.	.			trans	-69	135.7	164.3	-69.4	-172.1	176.4	-173.1	0	109	S287 M289	S287-K359 PolarHBondContact O-N 2.77Å; M289-K359 HydrophobicContact CE-CG 3.95Å; M289-K359 HydrophobicContact CG-CD 4.34Å; M289-K359 HydrophobicContact CG-CG 3.7Å; M289-K359 HydrophobicContact SD-CD 4.22Å; M289-K359 VanDerWaalsContact SD-CE 3.58Å; M289-K359 HydrophobicContact SD-CG 3.61Å
360	F	91.4	Very high	94	Very high	21 Å²	21	35.5 Å²	35.5	9%	0.092	20%	0.195	C	C	.	.			trans	-149.4	151.2	174.6	63.3	-82.6	0	0	0	110.2	M318 L357 P358 F410 F438 F440 I456	M318-F360 HydrophobicContact CE-CZ 4.37Å; M318-F360 HydrophobicContact SD-CZ 4.42Å; L357-F360 HydrophobicContact CD1-CE1 4.19Å; L357-F360 HydrophobicContact CG-CE1 4.47Å; P358-F360 VanDerWaalsContact O-CD1 3.32Å; P358-F360 WeakPolarHBondContact O-CD1 3.38Å; F360-F410 HydrophobicContact CD2-CD1 4.13Å; F360-F410 AromaticContact CD2-CE1 3.81Å; F360-F410 HydrophobicContact CD2-CE1 3.81Å; F360-F410 AromaticContact CE2-CD1 3.84Å; F360-F410 HydrophobicContact CE2-CD1 3.84Å; F360-F410 AromaticContact CE2-CE1 3.26Å; F360-F410 HydrophobicContact CE2-CE1 3.26Å; F360-F410 HydrophobicContact CE2-CZ 4.13Å; F360-F410 AromaticContact CZ-CE1 3.89Å; F360-F410 HydrophobicContact CZ-CE1 3.89Å; F360-F410 HydrophobicContact CZ-CZ 4.4Å; F360-F438 AromaticContact CD1-CZ 3.91Å; F360-F438 HydrophobicContact CD1-CZ 3.91Å; F360-F438 HydrophobicContact CE1-CE2 4.01Å; F360-F438 AromaticContact CE1-CZ 3.76Å; F360-F438 HydrophobicContact CE1-CZ 3.76Å; F360-F438 HydrophobicContact CZ-CE2 4.09Å; F360-F438 HydrophobicContact CZ-CZ 4.22Å; F360-F440 AromaticContact CE2-CD1 4Å; F360-F440 HydrophobicContact CE2-CD1 4Å; F360-F440 AromaticContact CE2-CE1 3.81Å; F360-F440 HydrophobicContact CE2-CE1 3.81Å; F360-F440 HydrophobicContact CE2-CE2 4.37Å; F360-F440 HydrophobicContact CE2-CG 4.36Å; F360-F440 HydrophobicContact CE2-CZ 4.01Å; F360-F440 HydrophobicContact CZ-CD1 4.35Å; F360-F440 HydrophobicContact CZ-CG 4.41Å; F360-I456 HydrophobicContact CB-CD1 3.97Å; F360-I456 HydrophobicContact CB-CG1 4.42Å; F360-I456 HydrophobicContact CD2-CD1 3.62Å; F360-I456 HydrophobicContact CD2-CG1 3.87Å; F360-I456 HydrophobicContact CE2-CD1 4.35Å; F360-I456 HydrophobicContact CE2-CG1 4.24Å; F360-I456 HydrophobicContact CG-CD1 3.96Å; F360-I456 HydrophobicContact CG-CG1 4.06Å
361	S	92.6	Very high	94.2	Very high	77 Å²	77	30 Å²	30	54%	0.538	17%	0.17	S	C	.	.			trans	-133	156.1	163.8	55.4	0	0	0	0	107.2	F410	S361-F410 CarbonylContact C-O 3.53Å; S361-F410 WeakPolarHBondContact CA-O 3.44Å; S361-F410 WeakPolarHBondContact CB-O 3.37Å
362	L	93.9	Very high	94.5	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.073	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.6	-179.6	-72	178	0	0	0	111	N109 V111 M409 F410 F440 I456	N109-L362 HydrophobicContact CB-CD2 3.71Å; V111-L362 HydrophobicContact CB-CB 3.85Å; V111-L362 HydrophobicContact CB-CD1 3.88Å; V111-L362 HydrophobicContact CG1-CB 3.69Å; L362-M409 WeakPolarHBondContact O-CA 3.36Å; L362-F410 HydrophobicContact CB-CB 4.49Å; L362-F410 PolarHBondContact N-O 2.92Å; L362-F410 PolarHBondContact O-N 2.91Å; L362-F440 HydrophobicContact CD1-CE1 3.58Å; L362-F440 HydrophobicContact CD1-CZ 3.83Å; L362-I456 HydrophobicContact CD1-CD1 3.55Å; L362-I456 HydrophobicContact CD2-CD1 3.63Å; L362-I456 HydrophobicContact CG-CD1 3.68Å
363	S	94.3	Very high	94.7	Very high	65 Å²	65	30.1 Å²	30.1	46%	0.455	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.6	165.2	-175.3	0	0	0	0	108.9	V408	S363-V408 CarbonylContact C-O 3.55Å; S363-V408 VanDerWaalsContact CA-O 3.31Å; S363-V408 WeakPolarHBondContact CA-O 3.49Å
364	S	95.3	Very high	94.9	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132	177.5	-70.7	0	0	0	0	110	V111 N407 V408	V111-S364 PolarHBondContact N-OG 2.84Å; V111-S364 VanDerWaalsContact N-OG 3.14Å; V111-S364 WeakPolarHBondContact O-CB 3.35Å; V111-S364 PolarHBondContact O-OG 3.37Å; S364-N407 CarbonylContact O-C 3.58Å; S364-N407 WeakPolarHBondContact O-CA 3.47Å; S364-N407 PolarHBondContact O-OD1 2.72Å; S364-V408 PolarHBondContact N-O 2.91Å; S364-V408 PolarHBondContact O-N 3.41Å
365	V	95.5	Very high	95	Very high	65 Å²	65	32.7 Å²	32.7	39%	0.394	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.6	170.9	-178.5	0	0	0	0	108.4	L237 V240 M405 N406	L237-V365 HydrophobicContact CD2-CG2 4.48Å; V240-V365 HydrophobicContact CG1-CG1 3.85Å; V365-M405 HydrophobicContact CG1-CB 4.46Å; V365-M405 HydrophobicContact CG1-SD 4.49Å; V365-N406 CarbonylContact C-O 3.49Å; V365-N406 WeakPolarHBondContact CA-O 3.48Å
366	I	95.7	Very high	95	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121	-174.4	-57.1	147.1	0	0	0	107.8	F103 F112 I368 L371 M405 N406 V408	F103-I366 HydrophobicContact CD1-CD1 4.48Å; F103-I366 HydrophobicContact CD1-CG1 4.11Å; F103-I366 HydrophobicContact CD2-CG1 4.07Å; F103-I366 HydrophobicContact CD2-CG2 4.21Å; F103-I366 HydrophobicContact CE1-CD1 4.17Å; F103-I366 HydrophobicContact CE1-CG1 3.62Å; F103-I366 HydrophobicContact CE2-CB 4.27Å; F103-I366 HydrophobicContact CE2-CG1 3.63Å; F103-I366 HydrophobicContact CE2-CG2 4.32Å; F103-I366 HydrophobicContact CG-CG1 4.32Å; F103-I366 HydrophobicContact CZ-CB 4.46Å; F103-I366 HydrophobicContact CZ-CD1 4.41Å; F103-I366 HydrophobicContact CZ-CG1 3.4Å; F103-I366 VanDerWaalsContact CZ-CG1 3.4Å; F112-I366 HydrophobicContact CD2-CD1 3.54Å; F112-I366 HydrophobicContact CD2-CG1 4.47Å; F112-I366 HydrophobicContact CE2-CD1 3.95Å; I366-I368 PolarHBondContact O-N 3.3Å; I366-L371 HydrophobicContact CG2-CB 4.12Å; I366-L371 HydrophobicContact CG2-CD2 4.11Å; I366-M405 CarbonylContact O-C 3.59Å; I366-M405 VanDerWaalsContact O-CA 3.28Å; I366-M405 WeakPolarHBondContact O-CA 3.01Å; I366-N406 HydrophobicContact CB-CB 4.27Å; I366-N406 HydrophobicContact CD1-CB 4.24Å; I366-N406 PolarHBondContact N-O 2.67Å; I366-N406 PolarHBondContact O-N 3.5Å; I366-V408 HydrophobicContact CD1-CG2 4.13Å
367	D	96.9	Very high	95	Very high	37 Å²	37	41.6 Å²	41.6	20%	0.198	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.8	163.1	-176.3	-50.6	0	0	0	108.5	H369 D370 L371 M405	D367-H369 VanDerWaalsContact C-N 3.34Å; D367-H369 WeakPolarHBondContact OD1-CA 3.31Å; D367-H369 WeakPolarHBondContact OD1-CB 3.3Å; D367-H369 PolarHBondContact OD1-N 2.97Å; D367-D370 HydrophobicContact CB-CB 3.99Å; D367-D370 PolarHBondContact O-N 3.05Å; D367-D370 PolarHBondContact OD1-N 2.98Å; D367-L371 WeakPolarHBondContact O-CB 3.43Å; D367-L371 PolarHBondContact O-N 3.16Å; D367-M405 HydrophobicContact CB-CE 4.08Å; D367-M405 HydrophobicContact CB-SD 3.78Å; D367-M405 WeakPolarHBondContact OD2-CE 3.42Å
368	I	97.9	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-35.8	-174.4	-57.3	174.4	0	0	0	110.4	L121 F124 I366 L371 L372 L384 A404	L121-I368 HydrophobicContact CD2-CG2 3.96Å; F124-I368 HydrophobicContact CE2-CD1 4.04Å; I366-I368 PolarHBondContact O-N 3.3Å; I368-L371 PolarHBondContact O-N 2.61Å; I368-L372 HydrophobicContact CG2-CD1 4.06Å; I368-L372 HydrophobicContact CG2-CG 4.32Å; I368-L372 WeakPolarHBondContact O-CB 3.45Å; I368-L372 WeakPolarHBondContact O-CG 3.49Å; I368-L372 PolarHBondContact O-N 3.03Å; I368-L384 HydrophobicContact CB-CD1 3.89Å; I368-L384 HydrophobicContact CG2-CD1 3.53Å; I368-A404 HydrophobicContact CB-CB 4.22Å; I368-A404 HydrophobicContact CD1-CB 4.21Å; I368-A404 WeakPolarHBondContact CG1-O 3.46Å; I368-A404 PolarHBondContact N-O 3.5Å
369	H	96.9	Very high	95.2	Very high	64 Å²	64	46.3 Å²	46.3	30%	0.296	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-43.2	176.9	174.4	-81.7	0	0	0	110.8	D367 L372 S373 L384	D367-H369 VanDerWaalsContact C-N 3.34Å; D367-H369 WeakPolarHBondContact OD1-CA 3.31Å; D367-H369 WeakPolarHBondContact OD1-CB 3.3Å; D367-H369 PolarHBondContact OD1-N 2.97Å; H369-L372 PolarHBondContact O-N 2.85Å; H369-S373 PolarHBondContact CE1-OG 2.94Å; H369-S373 VanDerWaalsContact O-CB 3.29Å; H369-S373 WeakPolarHBondContact O-CB 3.38Å; H369-S373 PolarHBondContact O-N 2.82Å; H369-S373 PolarHBondContact O-OG 2.8Å; H369-L384 HydrophobicContact CB-CB 4.42Å
370	D	96.6	Very high	95.5	Very high	85 Å²	85	42.1 Å²	42.1	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-39.3	176.9	-77.7	-5.9	0	0	0	112.4	D367 S373 T374	D367-D370 HydrophobicContact CB-CB 3.99Å; D367-D370 PolarHBondContact O-N 3.05Å; D367-D370 PolarHBondContact OD1-N 2.98Å; D370-S373 PolarHBondContact O-N 2.83Å; D370-T374 VanDerWaalsContact O-CB 3.32Å; D370-T374 WeakPolarHBondContact O-CB 3.35Å; D370-T374 PolarHBondContact O-N 2.77Å; D370-T374 PolarHBondContact O-OG1 2.94Å
371	L	97.3	Very high	95.7	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-54.6	172.9	168	63.4	0	0	0	110.7	M99 A102 F103 F112 T117 I366 D367 I368 S373 T374 M375	M99-L371 HydrophobicContact CB-CD1 4.31Å; M99-L371 HydrophobicContact CB-CD2 4.22Å; M99-L371 HydrophobicContact CG-CD2 4.38Å; M99-L371 VanDerWaalsContact O-CD1 3.26Å; M99-L371 WeakPolarHBondContact O-CD1 3.47Å; M99-L371 HydrophobicContact SD-CD2 4.34Å; A102-L371 HydrophobicContact CB-CD1 3.9Å; F103-L371 HydrophobicContact CB-CD1 4.12Å; F112-L371 HydrophobicContact CE2-CD2 4.1Å; T117-L371 HydrophobicContact CG2-CD2 3.98Å; I366-L371 HydrophobicContact CG2-CB 4.12Å; I366-L371 HydrophobicContact CG2-CD2 4.11Å; D367-L371 WeakPolarHBondContact O-CB 3.43Å; D367-L371 PolarHBondContact O-N 3.16Å; I368-L371 PolarHBondContact O-N 2.61Å; L371-S373 VanDerWaalsContact C-N 3.33Å; L371-S373 PolarHBondContact O-N 2.85Å; L371-T374 WeakPolarHBondContact O-CB 3.07Å; L371-T374 PolarHBondContact O-N 3.04Å; L371-T374 VanDerWaalsContact O-N 3.15Å; L371-M375 HydrophobicContact CD1-SD 4.46Å; L371-M375 WeakPolarHBondContact O-CG 3.19Å; L371-M375 PolarHBondContact O-N 2.88Å
372	L	97.6	Very high	95.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-43.5	-179.5	-69.2	172.4	0	0	0	111.3	L121 F139 I368 H369 T374 M375 N376 L379 L383 L384	L121-L372 HydrophobicContact CD2-CD1 4.21Å; F139-L372 HydrophobicContact CD1-CD2 4.41Å; F139-L372 HydrophobicContact CE1-CD2 3.68Å; F139-L372 HydrophobicContact CE2-CD2 4.1Å; F139-L372 HydrophobicContact CZ-CD2 3.49Å; F139-L372 VanDerWaalsContact CZ-CD2 3.49Å; I368-L372 HydrophobicContact CG2-CD1 4.06Å; I368-L372 HydrophobicContact CG2-CG 4.32Å; I368-L372 WeakPolarHBondContact O-CB 3.45Å; I368-L372 WeakPolarHBondContact O-CG 3.49Å; I368-L372 PolarHBondContact O-N 3.03Å; H369-L372 PolarHBondContact O-N 2.85Å; L372-T374 VanDerWaalsContact C-N 3.28Å; L372-T374 PolarHBondContact O-N 2.82Å; L372-M375 WeakPolarHBondContact O-CB 3.4Å; L372-M375 PolarHBondContact O-N 2.97Å; L372-N376 CarbonylContact O-C 3.58Å; L372-N376 PolarHBondContact O-N 2.89Å; L372-L379 HydrophobicContact CB-CB 4.25Å; L372-L383 HydrophobicContact CD1-CB 3.98Å; L372-L383 HydrophobicContact CD1-CD1 3.99Å; L372-L383 HydrophobicContact CD2-CD1 4Å; L372-L384 HydrophobicContact CD1-CD1 3.87Å; L372-L384 HydrophobicContact CD1-CG 4.15Å
373	S	96.8	Very high	96	Very high	31 Å²	31	39.2 Å²	39.2	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-34.3	177.2	-61.6	0	0	0	0	112.8	H369 D370 L371 N376 T377	H369-S373 PolarHBondContact CE1-OG 2.94Å; H369-S373 VanDerWaalsContact O-CB 3.29Å; H369-S373 WeakPolarHBondContact O-CB 3.38Å; H369-S373 PolarHBondContact O-N 2.82Å; H369-S373 PolarHBondContact O-OG 2.8Å; D370-S373 PolarHBondContact O-N 2.83Å; L371-S373 VanDerWaalsContact C-N 3.33Å; L371-S373 PolarHBondContact O-N 2.85Å; S373-N376 CarbonylContact O-C 3.58Å; S373-N376 VanDerWaalsContact O-C 3.31Å; S373-T377 PolarHBondContact O-N 2.9Å
374	T	95.8	Very high	96.1	Very high	54 Å²	54	36.6 Å²	36.6	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-71.8	-35.1	176.5	-57.6	0	0	0	0	111.7	A102 K106 D370 L371 L372	A102-T374 HydrophobicContact CB-CG2 4.18Å; A102-T374 WeakPolarHBondContact O-CG2 3.48Å; K106-T374 WeakPolarHBondContact CE-OG1 3.16Å; K106-T374 PolarHBondContact NZ-OG1 2.8Å; D370-T374 VanDerWaalsContact O-CB 3.32Å; D370-T374 WeakPolarHBondContact O-CB 3.35Å; D370-T374 PolarHBondContact O-N 2.77Å; D370-T374 PolarHBondContact O-OG1 2.94Å; L371-T374 WeakPolarHBondContact O-CB 3.07Å; L371-T374 PolarHBondContact O-N 3.04Å; L371-T374 VanDerWaalsContact O-N 3.15Å; L372-T374 VanDerWaalsContact C-N 3.28Å; L372-T374 PolarHBondContact O-N 2.82Å
375	M	94.8	Very high	96.1	Very high	51 Å²	51	36.9 Å²	36.9	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-48.3	172.5	-68.2	178.8	72.5	0	0	111	R98 M99 A102 F139 L371 L372 L379	R98-M375 HydrophobicContact CB-CE 3.88Å; M99-M375 HydrophobicContact CB-SD 4.35Å; M99-M375 HydrophobicContact CG-CE 4.12Å; M99-M375 HydrophobicContact CG-SD 3.69Å; A102-M375 HydrophobicContact CB-CB 4.42Å; A102-M375 HydrophobicContact CB-CG 3.32Å; A102-M375 HydrophobicContact CB-SD 4.46Å; F139-M375 HydrophobicContact CE2-CE 3.91Å; F139-M375 HydrophobicContact CE2-SD 4.27Å; F139-M375 HydrophobicContact CZ-CE 4.02Å; F139-M375 HydrophobicContact CZ-SD 3.99Å; L371-M375 HydrophobicContact CD1-SD 4.46Å; L371-M375 WeakPolarHBondContact O-CG 3.19Å; L371-M375 PolarHBondContact O-N 2.88Å; L372-M375 WeakPolarHBondContact O-CB 3.4Å; L372-M375 PolarHBondContact O-N 2.97Å; M375-L379 HydrophobicContact CB-CD1 4.22Å
376	N	94.8	Very high	96	Very high	86 Å²	86	39.4 Å²	39.4	46%	0.46	24%	0.238	S	C	.	.			trans	-163.8	123.7	175.6	177.6	-24.9	0	0	0	108.7	L372 S373 S378 L379	L372-N376 CarbonylContact O-C 3.58Å; L372-N376 PolarHBondContact O-N 2.89Å; S373-N376 CarbonylContact O-C 3.58Å; S373-N376 VanDerWaalsContact O-C 3.31Å; N376-S378 PolarHBondContact O-N 2.77Å; N376-S378 VanDerWaalsContact OD1-CB 3.28Å; N376-S378 WeakPolarHBondContact OD1-CB 3.41Å; N376-S378 PolarHBondContact OD1-N 3.31Å; N376-L379 HydrophobicContact CB-CB 4.45Å; N376-L379 HydrophobicContact CB-CD1 3.82Å; N376-L379 HydrophobicContact CB-CG 3.88Å; N376-L379 WeakPolarHBondContact O-CB 3.39Å; N376-L379 PolarHBondContact O-N 2.9Å
377	T	93.4	Very high	95.9	Very high	112 Å²	112	44 Å²	44	69%	0.687	26%	0.259	S	S	*	.	H	α-helix	trans	-53.1	-33.8	-178.4	-49.9	0	0	0	0	113.1	S373 L379 S381	S373-T377 PolarHBondContact O-N 2.9Å; T377-L379 PolarHBondContact O-N 2.84Å; T377-S381 PolarHBondContact O-N 3.5Å
378	S	95.9	Very high	95.9	Very high	62 Å²	62	43 Å²	43	43%	0.434	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.3	-170.1	0	0	0	0	111.8	N376 G380 S381 T382	N376-S378 PolarHBondContact O-N 2.77Å; N376-S378 VanDerWaalsContact OD1-CB 3.28Å; N376-S378 WeakPolarHBondContact OD1-CB 3.41Å; N376-S378 PolarHBondContact OD1-N 3.31Å; S378-G380 PolarHBondContact O-N 3.41Å; S378-S381 PolarHBondContact O-N 3.07Å; S378-S381 PolarHBondContact O-OG 3.18Å; S378-T382 WeakPolarHBondContact O-CB 3.36Å; S378-T382 WeakPolarHBondContact O-CG2 3.34Å; S378-T382 PolarHBondContact O-N 3.36Å; S378-T382 PolarHBondContact O-OG1 3.4Å
379	L	96.5	Very high	95.7	Very high	39 Å²	39	48 Å²	48	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-44.3	-178.4	-68.1	174.8	0	0	0	111.7	F139 L372 M375 N376 T377 S381 T382 L383	F139-L379 HydrophobicContact CD2-CD1 3.83Å; F139-L379 HydrophobicContact CD2-CD2 3.89Å; F139-L379 HydrophobicContact CD2-CG 4.49Å; F139-L379 HydrophobicContact CE2-CD1 3.6Å; F139-L379 HydrophobicContact CE2-CD2 4.49Å; L372-L379 HydrophobicContact CB-CB 4.25Å; M375-L379 HydrophobicContact CB-CD1 4.22Å; N376-L379 HydrophobicContact CB-CB 4.45Å; N376-L379 HydrophobicContact CB-CD1 3.82Å; N376-L379 HydrophobicContact CB-CG 3.88Å; N376-L379 WeakPolarHBondContact O-CB 3.39Å; N376-L379 PolarHBondContact O-N 2.9Å; T377-L379 PolarHBondContact O-N 2.84Å; L379-S381 VanDerWaalsContact C-N 3.35Å; L379-S381 PolarHBondContact O-N 3.47Å; L379-T382 PolarHBondContact O-N 3.07Å; L379-T382 PolarHBondContact O-OG1 3.25Å; L379-L383 HydrophobicContact CB-CD1 4.29Å; L379-L383 HydrophobicContact CD2-CD1 4.15Å; L379-L383 VanDerWaalsContact O-CB 3.26Å; L379-L383 WeakPolarHBondContact O-CB 3.49Å; L379-L383 WeakPolarHBondContact O-CG 3.21Å; L379-L383 PolarHBondContact O-N 2.73Å
380	G	96.1	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-51.5	174.8	0	0	0	0	0	111.2	S378 T382 L384 G385	S378-G380 PolarHBondContact O-N 3.41Å; G380-T382 PolarHBondContact O-N 3.3Å; G380-L384 CarbonylContact O-C 3.45Å; G380-L384 PolarHBondContact O-N 3.18Å; G380-G385 WeakPolarHBondContact O-CA 3.49Å; G380-G385 PolarHBondContact O-N 3.41Å
381	S	95.9	Very high	95.4	Very high	24 Å²	24	44 Å²	44	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-37.2	-179.6	71.9	0	0	0	0	114.4	T377 S378 L379 G385 Q387 A388	T377-S381 PolarHBondContact O-N 3.5Å; S378-S381 PolarHBondContact O-N 3.07Å; S378-S381 PolarHBondContact O-OG 3.18Å; L379-S381 VanDerWaalsContact C-N 3.35Å; L379-S381 PolarHBondContact O-N 3.47Å; S381-G385 CarbonylContact O-C 3.57Å; S381-G385 VanDerWaalsContact O-C 3.32Å; S381-Q387 WeakPolarHBondContact O-CA 3.37Å; S381-Q387 WeakPolarHBondContact O-CB 3.48Å; S381-Q387 PolarHBondContact O-N 3.2Å; S381-A388 PolarHBondContact O-N 3.3Å
382	T	96.3	Very high	95.3	Very high	26 Å²	26	47.4 Å²	47.4	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-87.1	-26.2	-173.5	55.6	0	0	0	0	114.3	S378 L379 G380	S378-T382 WeakPolarHBondContact O-CB 3.36Å; S378-T382 WeakPolarHBondContact O-CG2 3.34Å; S378-T382 PolarHBondContact O-N 3.36Å; S378-T382 PolarHBondContact O-OG1 3.4Å; L379-T382 PolarHBondContact O-N 3.07Å; L379-T382 PolarHBondContact O-OG1 3.25Å; G380-T382 PolarHBondContact O-N 3.3Å
383	L	96.7	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-100	-40.5	-175.7	-64.1	175.5	0	0	0	112.8	S135 F136 F139 L372 L379 A388 F390	S135-L383 VanDerWaalsContact C-CD2 3.47Å; F136-L383 HydrophobicContact CB-CD2 4.38Å; F136-L383 HydrophobicContact CD1-CD2 3.84Å; F136-L383 HydrophobicContact CD2-CD2 4.12Å; F136-L383 HydrophobicContact CE1-CB 4.12Å; F136-L383 HydrophobicContact CE1-CD2 4.09Å; F136-L383 HydrophobicContact CE2-CD2 4.36Å; F136-L383 HydrophobicContact CG-CD2 3.84Å; F136-L383 HydrophobicContact CZ-CB 4.07Å; F136-L383 HydrophobicContact CZ-CD2 4.33Å; F136-L383 VanDerWaalsContact CZ-O 3.27Å; F136-L383 WeakPolarHBondContact CZ-O 3.45Å; F139-L383 HydrophobicContact CB-CD1 4.08Å; F139-L383 HydrophobicContact CD1-CD1 4.1Å; F139-L383 HydrophobicContact CD2-CD1 4.41Å; F139-L383 HydrophobicContact CG-CD1 3.92Å; L372-L383 HydrophobicContact CD1-CB 3.98Å; L372-L383 HydrophobicContact CD1-CD1 3.99Å; L372-L383 HydrophobicContact CD2-CD1 4Å; L379-L383 HydrophobicContact CB-CD1 4.29Å; L379-L383 HydrophobicContact CD2-CD1 4.15Å; L379-L383 VanDerWaalsContact O-CB 3.26Å; L379-L383 WeakPolarHBondContact O-CB 3.49Å; L379-L383 WeakPolarHBondContact O-CG 3.21Å; L379-L383 PolarHBondContact O-N 2.73Å; L383-A388 WeakPolarHBondContact O-CB 3.43Å; L383-F390 WeakPolarHBondContact O-CZ 3.26Å
384	L	96.4	Very high	95.1	Very high	10 Å²	10	46 Å²	46	5%	0.052	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-3.3	-176	-69	179.4	0	0	0	114.2	F124 F136 I368 H369 L372 G380 F390 V401 A404	F124-L384 HydrophobicContact CB-CD2 4.39Å; F124-L384 HydrophobicContact CD1-CD2 4.29Å; F124-L384 HydrophobicContact CD2-CD2 3.8Å; F124-L384 HydrophobicContact CE2-CD1 4.44Å; F124-L384 HydrophobicContact CE2-CD2 4.11Å; F124-L384 HydrophobicContact CG-CD2 3.91Å; F124-L384 HydrophobicContact CZ-CD2 4.49Å; F136-L384 HydrophobicContact CZ-CD2 4.28Å; I368-L384 HydrophobicContact CB-CD1 3.89Å; I368-L384 HydrophobicContact CG2-CD1 3.53Å; H369-L384 HydrophobicContact CB-CB 4.42Å; L372-L384 HydrophobicContact CD1-CD1 3.87Å; L372-L384 HydrophobicContact CD1-CG 4.15Å; G380-L384 CarbonylContact O-C 3.45Å; G380-L384 PolarHBondContact O-N 3.18Å; L384-F390 HydrophobicContact CD2-CZ 3.93Å; L384-V401 HydrophobicContact CD2-CB 4.46Å; L384-V401 HydrophobicContact CD2-CG1 4.36Å; L384-A404 HydrophobicContact CD1-CB 4.1Å
385	G	94.1	Very high	94.8	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	27%	0.273	C	S	.	.	S	Bend	trans	-104.3	-150.6	-174.3	0	0	0	0	0	113.6	G380 S381 Q387 A388	G380-G385 WeakPolarHBondContact O-CA 3.49Å; G380-G385 PolarHBondContact O-N 3.41Å; S381-G385 CarbonylContact O-C 3.57Å; S381-G385 VanDerWaalsContact O-C 3.32Å; G385-Q387 PolarHBondContact O-N 2.87Å; G385-Q387 VanDerWaalsContact O-N 3.11Å; G385-A388 WeakPolarHBondContact O-CB 3.26Å; G385-A388 PolarHBondContact O-N 3.32Å
386	S	92.9	Very high	94.6	Very high	119 Å²	119	46.4 Å²	46.4	83%	0.832	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.2	-170.1	57.5	0	0	0	0	116.1
387	Q	95.2	Very high	94.2	Very high	98 Å²	98	47.2 Å²	47.2	46%	0.458	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-5.9	177.1	-51.9	-177.8	18.7	0	0	112.6	S381 G385	S381-Q387 WeakPolarHBondContact O-CA 3.37Å; S381-Q387 WeakPolarHBondContact O-CB 3.48Å; S381-Q387 PolarHBondContact O-N 3.2Å; G385-Q387 PolarHBondContact O-N 2.87Å; G385-Q387 VanDerWaalsContact O-N 3.11Å
388	A	95.6	Very high	93.9	Very high	15 Å²	15	47.3 Å²	47.3	12%	0.124	29%	0.285	C	S	.	.			trans	-80.2	134.2	178.2	0	0	0	0	0	110	T132 S381 L383 G385 F390	T132-A388 HydrophobicContact CG2-CB 4.01Å; S381-A388 PolarHBondContact O-N 3.3Å; L383-A388 WeakPolarHBondContact O-CB 3.43Å; G385-A388 WeakPolarHBondContact O-CB 3.26Å; G385-A388 PolarHBondContact O-N 3.32Å; A388-F390 HydrophobicContact CB-CE2 3.7Å; A388-F390 HydrophobicContact CB-CZ 4.18Å
389	E	94.8	Very high	93.7	Very high	104 Å²	104	44.9 Å²	44.9	49%	0.486	27%	0.266	S	S	.	.			trans	-121.4	126.2	178.4	-66.1	176.4	150.7	0	0	109.4	S129 T132	S129-E389 WeakPolarHBondContact CB-O 3.43Å; S129-E389 PolarHBondContact N-O 2.98Å; S129-E389 WeakPolarHBondContact OG-CB 3.19Å; S129-E389 PolarHBondContact OG-OE2 3.11Å; T132-E389 PolarHBondContact OG1-N 3.24Å; T132-E389 PolarHBondContact OG1-O 3.42Å
390	F	94.9	Very high	93.6	Very high	4 Å²	4	45 Å²	45	2%	0.018	27%	0.27	C	S	.	.			trans	-111.3	45.2	-177.7	-68	-78.5	0	0	0	112.8	F124 G127 A128 F136 L383 L384 A388 R392 L393 V401	F124-F390 HydrophobicContact CB-CE1 4.1Å; G127-F390 CarbonylContact O-C 3.31Å; G127-F390 WeakPolarHBondContact O-CA 3.4Å; A128-F390 HydrophobicContact CB-CD1 4.48Å; A128-F390 HydrophobicContact CB-CE1 4.4Å; F136-F390 HydrophobicContact CE2-CE1 4.23Å; F136-F390 HydrophobicContact CE2-CZ 4.39Å; L383-F390 WeakPolarHBondContact O-CZ 3.26Å; L384-F390 HydrophobicContact CD2-CZ 3.93Å; A388-F390 HydrophobicContact CB-CE2 3.7Å; A388-F390 HydrophobicContact CB-CZ 4.18Å; F390-R392 PolarHBondContact O-N 2.94Å; F390-L393 HydrophobicContact CB-CB 3.83Å; F390-L393 HydrophobicContact CB-CD2 4.08Å; F390-L393 HydrophobicContact CD1-CD2 4.41Å; F390-L393 HydrophobicContact CG-CD2 4.35Å; F390-L393 VanDerWaalsContact O-CB 3.32Å; F390-L393 WeakPolarHBondContact O-CB 3.42Å; F390-L393 PolarHBondContact O-N 3Å; F390-V401 HydrophobicContact CD1-CG2 4.27Å; F390-V401 HydrophobicContact CD2-CG2 3.75Å; F390-V401 HydrophobicContact CE1-CG2 4.16Å; F390-V401 HydrophobicContact CE2-CB 4.14Å; F390-V401 HydrophobicContact CE2-CG2 3.6Å; F390-V401 HydrophobicContact CG-CG2 4.08Å; F390-V401 HydrophobicContact CZ-CG2 3.84Å
391	S	92.8	Very high	93.6	Very high	62 Å²	62	45.6 Å²	45.6	43%	0.434	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.3	-178.4	70.5	0	0	0	0	114.5	S129	S129-S391 WeakPolarHBondContact CB-OG 3.36Å
392	R	93.3	Very high	93.6	Very high	77 Å²	77	47.2 Å²	47.2	29%	0.291	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-2.5	174.2	-61.3	-66.3	-66.7	-176.4	-1.2	112.2	K49 G127 A128 S194 F390	K49-R392 PolarHBondContact O-NH1 3.25Å; G127-R392 CarbonylContact O-C 3.57Å; G127-R392 WeakPolarHBondContact O-CA 3.28Å; G127-R392 WeakPolarHBondContact O-CB 3.5Å; G127-R392 PolarHBondContact O-N 3.4Å; G127-R392 VanDerWaalsContact O-N 3.09Å; A128-R392 WeakPolarHBondContact O-CB 3.19Å; A128-R392 WeakPolarHBondContact O-CG 3.47Å; S194-R392 WeakPolarHBondContact CB-O 3.25Å; S194-R392 PolarHBondContact OG-O 2.68Å; F390-R392 PolarHBondContact O-N 2.94Å
393	L	95.5	Very high	93.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-40.1	177.3	-176.2	55.3	0	0	0	111.6	G127 L193 S194 F197 F250 F390 F399 V401	G127-L393 PolarHBondContact O-N 2.97Å; L193-L393 CarbonylContact C-O 3.5Å; L193-L393 WeakPolarHBondContact CA-O 3.5Å; L193-L393 HydrophobicContact CD2-CD1 4.4Å; L193-L393 HydrophobicContact CD2-CG 4.32Å; S194-L393 PolarHBondContact N-O 3.26Å; F197-L393 HydrophobicContact CB-CD1 3.85Å; F197-L393 HydrophobicContact CD1-CD1 3.46Å; F197-L393 VanDerWaalsContact CD1-CD1 3.46Å; F197-L393 HydrophobicContact CD2-CD1 3.37Å; F197-L393 HydrophobicContact CE1-CD1 3.8Å; F197-L393 HydrophobicContact CE2-CD1 3.7Å; F197-L393 HydrophobicContact CG-CD1 3.23Å; F197-L393 HydrophobicContact CZ-CD1 3.91Å; F250-L393 HydrophobicContact CD1-CD2 4.06Å; F250-L393 HydrophobicContact CE1-CD2 4.2Å; F250-L393 HydrophobicContact CG-CD2 4.22Å; F390-L393 HydrophobicContact CB-CB 3.83Å; F390-L393 HydrophobicContact CB-CD2 4.08Å; F390-L393 HydrophobicContact CD1-CD2 4.41Å; F390-L393 HydrophobicContact CG-CD2 4.35Å; F390-L393 VanDerWaalsContact O-CB 3.32Å; F390-L393 WeakPolarHBondContact O-CB 3.42Å; F390-L393 PolarHBondContact O-N 3Å; L393-F399 HydrophobicContact CB-CD1 4.31Å; L393-F399 HydrophobicContact CD2-CD1 3.85Å; L393-F399 HydrophobicContact CD2-CE1 3.67Å; L393-F399 HydrophobicContact CG-CD1 4.09Å; L393-F399 HydrophobicContact CG-CE1 3.87Å; L393-V401 HydrophobicContact CD2-CG2 4.21Å
394	S	95	Very high	93.7	Very high	3 Å²	3	49 Å²	49	2%	0.021	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-141.1	158.5	-178.3	-176.2	0	0	0	0	112.1	L51 Q192 T396	L51-S394 WeakPolarHBondContact CD2-O 3.16Å; Q192-S394 WeakPolarHBondContact O-CA 3.42Å; Q192-S394 VanDerWaalsContact O-CB 3.31Å; Q192-S394 WeakPolarHBondContact O-CB 3.33Å; Q192-S394 PolarHBondContact O-OG 3.26Å; S394-T396 PolarHBondContact OG-N 2.98Å; S394-T396 VanDerWaalsContact OG-N 3.14Å
395	N	90.3	Very high	93.8	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.444	29%	0.288	S	S	.	.	S	Bend	trans	-73.7	-11	167.3	66.4	-13.6	0	0	0	113.4	T53 Q192	T53-N395 HydrophobicContact CG2-CB 4.03Å; Q192-N395 PolarHBondContact N-OD1 3.39Å; Q192-N395 PolarHBondContact O-N 3.38Å; Q192-N395 PolarHBondContact O-OD1 2.59Å
396	T	89.3	Confident	94	Very high	29 Å²	29	48.2 Å²	48.2	18%	0.178	28%	0.278	C	S	.	.	S	Bend	trans	-80.9	140.8	175.4	-60.3	0	0	0	0	109.8	S394 F399	S394-T396 PolarHBondContact OG-N 2.98Å; S394-T396 VanDerWaalsContact OG-N 3.14Å; T396-F399 HydrophobicContact CG2-CD2 4.12Å; T396-F399 WeakPolarHBondContact O-CB 3.35Å
397	S	86.6	Confident	94.2	Very high	104 Å²	104	42.5 Å²	42.5	73%	0.727	24%	0.238	S	C	*	.	S	Bend	trans	-143.5	132.5	175.3	179.8	0	0	0	0	110.8
398	P	88.3	Confident	94.3	Very high	114 Å²	114	37.9 Å²	37.9	74%	0.74	22%	0.216	S	C	*	.	S	Bend	cis	-69.1	155.1	-3.6	31	-35.5	0	0	0	112.2
399	F	92.2	Very high	94.3	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.048	22%	0.217	C	C	.	.			trans	-136.6	123.7	176	-158.1	-100	0	0	0	109.3	A191 L193 N249 F250 L393 T396	A191-F399 HydrophobicContact CB-CE2 3.76Å; A191-F399 HydrophobicContact CB-CZ 4.3Å; L193-F399 HydrophobicContact CD2-CE1 4.37Å; L193-F399 HydrophobicContact CD2-CZ 4.22Å; N249-F399 HydrophobicContact CB-CD2 3.9Å; N249-F399 HydrophobicContact CB-CE2 3.8Å; N249-F399 HydrophobicContact CB-CG 4.32Å; N249-F399 HydrophobicContact CB-CZ 4.13Å; N249-F399 WeakPolarHBondContact O-CZ 3.44Å; F250-F399 HydrophobicContact CB-CE1 3.74Å; F250-F399 HydrophobicContact CB-CZ 4.03Å; F250-F399 HydrophobicContact CD2-CE1 4.12Å; F250-F399 HydrophobicContact CD2-CZ 4.26Å; F250-F399 HydrophobicContact CG-CE1 4.1Å; L393-F399 HydrophobicContact CB-CD1 4.31Å; L393-F399 HydrophobicContact CD2-CD1 3.85Å; L393-F399 HydrophobicContact CD2-CE1 3.67Å; L393-F399 HydrophobicContact CG-CD1 4.09Å; L393-F399 HydrophobicContact CG-CE1 3.87Å; T396-F399 HydrophobicContact CG2-CD2 4.12Å; T396-F399 WeakPolarHBondContact O-CB 3.35Å
400	S	92.9	Very high	94.4	Very high	40 Å²	40	33.6 Å²	33.6	28%	0.28	19%	0.194	S	C	.	.			trans	-112.9	157.1	-175.5	51.3	0	0	0	0	111.4	N249 F250 D402	N249-S400 WeakPolarHBondContact CB-O 3.42Å; N249-S400 PolarHBondContact ND2-OG 3.33Å; F250-S400 VanDerWaalsContact CB-O 3.31Å; F250-S400 WeakPolarHBondContact CB-O 3.21Å; S400-D402 PolarHBondContact OG-OD1 3.02Å; S400-D402 VanDerWaalsContact OG-OD1 3.05Å
401	V	96.5	Very high	94.2	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.079	21%	0.207	C	C	.	.			trans	-99.5	106.4	164.5	177.2	0	0	0	0	107	F124 F250 L384 F390 L393 A404	F124-V401 HydrophobicContact CD1-CG2 4.09Å; F124-V401 HydrophobicContact CE1-CG1 3.8Å; F124-V401 HydrophobicContact CE1-CG2 4.06Å; F124-V401 HydrophobicContact CZ-CG1 4.13Å; F250-V401 HydrophobicContact CD1-CG1 4.33Å; F250-V401 HydrophobicContact CD1-CG2 4.05Å; L384-V401 HydrophobicContact CD2-CB 4.46Å; L384-V401 HydrophobicContact CD2-CG1 4.36Å; F390-V401 HydrophobicContact CD1-CG2 4.27Å; F390-V401 HydrophobicContact CD2-CG2 3.75Å; F390-V401 HydrophobicContact CE1-CG2 4.16Å; F390-V401 HydrophobicContact CE2-CB 4.14Å; F390-V401 HydrophobicContact CE2-CG2 3.6Å; F390-V401 HydrophobicContact CG-CG2 4.08Å; F390-V401 HydrophobicContact CZ-CG2 3.84Å; L393-V401 HydrophobicContact CD2-CG2 4.21Å; V401-A404 HydrophobicContact CG1-CB 3.92Å
402	D	96.1	Very high	94	Very high	58 Å²	58	35 Å²	35	31%	0.31	19%	0.194	S	C	.	.			trans	-86.2	-33.7	-171	-52.6	-80.3	0	0	0	112.4	N249 F250 L251 S400	N249-D402 WeakPolarHBondContact CA-OD2 3.4Å; N249-D402 PolarHBondContact N-OD2 3.08Å; F250-D402 PolarHBondContact N-OD2 3.37Å; F250-D402 PolarHBondContact O-N 2.94Å; L251-D402 HydrophobicContact CD2-CB 4.23Å; S400-D402 PolarHBondContact OG-OD1 3.02Å; S400-D402 VanDerWaalsContact OG-OD1 3.05Å
403	K	97.4	Very high	93.2	Very high	59 Å²	59	32.3 Å²	32.3	26%	0.257	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.9	174.3	-62.8	-70.3	-177.2	175.1	0	109.6	F241 K242 L244 L251 F252 M405	F241-K403 HydrophobicContact CD1-CB 3.84Å; F241-K403 HydrophobicContact CD1-CG 4.24Å; F241-K403 HydrophobicContact CE1-CB 3.88Å; K242-K403 WeakPolarHBondContact O-CE 3.41Å; K242-K403 PolarHBondContact O-NZ 2.86Å; L244-K403 HydrophobicContact CD2-CG 4.49Å; L251-K403 WeakPolarHBondContact CA-O 3.17Å; L251-K403 HydrophobicContact CD2-CB 3.72Å; L251-K403 HydrophobicContact CD2-CG 3.73Å; F252-K403 PolarHBondContact N-O 3.01Å; K403-M405 HydrophobicContact CB-CE 4.22Å; K403-M405 HydrophobicContact CD-CE 3.85Å
404	A	97.9	Very high	91.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.033	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	110.3	177.6	0	0	0	0	0	109.3	F124 F252 I368 L384 V401	F124-A404 HydrophobicContact CE2-CB 3.85Å; F124-A404 HydrophobicContact CZ-CB 3.53Å; F252-A404 WeakPolarHBondContact O-CA 3.48Å; I368-A404 HydrophobicContact CB-CB 4.22Å; I368-A404 HydrophobicContact CD1-CB 4.21Å; I368-A404 WeakPolarHBondContact CG1-O 3.46Å; I368-A404 PolarHBondContact N-O 3.5Å; L384-A404 HydrophobicContact CD1-CB 4.1Å; V401-A404 HydrophobicContact CG1-CB 3.92Å
405	M	98.1	Very high	90.2	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.069	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.6	-171.6	-57.4	-64.7	167.7	0	0	111.3	V240 F241 F252 I253 S254 V365 I366 D367 K403	V240-M405 HydrophobicContact CG1-CB 4.17Å; V240-M405 HydrophobicContact CG1-CG 4Å; F241-M405 HydrophobicContact CE1-CG 4.18Å; F252-M405 PolarHBondContact O-N 3.42Å; I253-M405 VanDerWaalsContact CA-O 3.24Å; I253-M405 WeakPolarHBondContact CA-O 3.49Å; I253-M405 HydrophobicContact CB-CB 4.03Å; I253-M405 HydrophobicContact CD1-CB 4.25Å; I253-M405 HydrophobicContact CG1-CB 3.92Å; S254-M405 PolarHBondContact N-O 3.4Å; V365-M405 HydrophobicContact CG1-CB 4.46Å; V365-M405 HydrophobicContact CG1-SD 4.49Å; I366-M405 CarbonylContact O-C 3.59Å; I366-M405 VanDerWaalsContact O-CA 3.28Å; I366-M405 WeakPolarHBondContact O-CA 3.01Å; D367-M405 HydrophobicContact CB-CE 4.08Å; D367-M405 HydrophobicContact CB-SD 3.78Å; D367-M405 WeakPolarHBondContact OD2-CE 3.42Å; K403-M405 HydrophobicContact CB-CE 4.22Å; K403-M405 HydrophobicContact CD-CE 3.85Å
406	N	97.8	Very high	88.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129	164.3	-81.4	-12.9	0	0	0	110.3	T117 S120 S254 V365 I366	T117-N406 WeakPolarHBondContact CA-ND2 3.34Å; T117-N406 WeakPolarHBondContact CB-ND2 3.4Å; T117-N406 PolarHBondContact OG1-ND2 3.39Å; T117-N406 VanDerWaalsContact OG1-ND2 3.11Å; S120-N406 PolarHBondContact OG-OD1 2.94Å; S254-N406 WeakPolarHBondContact CB-OD1 3.4Å; S254-N406 CarbonylContact O-C 3.58Å; S254-N406 VanDerWaalsContact O-CA 3.28Å; S254-N406 WeakPolarHBondContact O-CA 3.49Å; V365-N406 CarbonylContact C-O 3.49Å; V365-N406 WeakPolarHBondContact CA-O 3.48Å; I366-N406 HydrophobicContact CB-CB 4.27Å; I366-N406 HydrophobicContact CD1-CB 4.24Å; I366-N406 PolarHBondContact N-O 2.67Å; I366-N406 PolarHBondContact O-N 3.5Å
407	N	97.6	Very high	87.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.3	168.1	179.8	62.4	0	0	0	110.1	N116 L237 I253 S254 S255 F256 S364 M409	N116-N407 PolarHBondContact ND2-O 2.99Å; L237-N407 HydrophobicContact CD1-CB 4.17Å; L237-N407 HydrophobicContact CD2-CB 3.67Å; L237-N407 WeakPolarHBondContact CD2-ND2 3.46Å; L237-N407 VanDerWaalsContact CD2-OD1 3.3Å; L237-N407 WeakPolarHBondContact CD2-OD1 3.09Å; L237-N407 HydrophobicContact CG-CB 4.48Å; I253-N407 HydrophobicContact CD1-CB 4.43Å; S254-N407 PolarHBondContact O-N 2.82Å; S255-N407 CarbonylContact C-O 3.54Å; S255-N407 WeakPolarHBondContact CA-O 3.27Å; S255-N407 PolarHBondContact OG-ND2 2.81Å; F256-N407 PolarHBondContact N-O 2.78Å; S364-N407 CarbonylContact O-C 3.58Å; S364-N407 WeakPolarHBondContact O-CA 3.47Å; S364-N407 PolarHBondContact O-OD1 2.72Å; N407-M409 WeakPolarHBondContact ND2-CG 3.34Å
408	V	97.8	Very high	86.2	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.1	176	-175.2	0	0	0	0	108.3	V111 F256 S363 S364 I366 L452	V111-V408 HydrophobicContact CB-CG1 4.45Å; V111-V408 HydrophobicContact CG1-CB 4.14Å; V111-V408 HydrophobicContact CG1-CG1 3.98Å; V111-V408 WeakPolarHBondContact CG1-O 3.26Å; V111-V408 HydrophobicContact CG2-CG1 3.83Å; F256-V408 HydrophobicContact CD1-CG1 4.34Å; F256-V408 CarbonylContact O-C 3.52Å; F256-V408 WeakPolarHBondContact O-CA 3.49Å; S363-V408 CarbonylContact C-O 3.55Å; S363-V408 VanDerWaalsContact CA-O 3.31Å; S363-V408 WeakPolarHBondContact CA-O 3.49Å; S364-V408 PolarHBondContact N-O 2.91Å; S364-V408 PolarHBondContact O-N 3.41Å; I366-V408 HydrophobicContact CD1-CG2 4.13Å; V408-L452 HydrophobicContact CG1-CD2 3.41Å; V408-L452 VanDerWaalsContact CG1-CD2 3.41Å
409	M	96.5	Very high	84.5	Confident	27 Å²	27	40.3 Å²	40.3	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136	177	-62.5	179.7	70.5	0	0	109.8	K236 F256 F258 L362 N407	K236-M409 HydrophobicContact CB-CE 3.84Å; K236-M409 HydrophobicContact CB-SD 3.74Å; K236-M409 HydrophobicContact CD-CE 3.7Å; K236-M409 HydrophobicContact CD-SD 3.88Å; K236-M409 HydrophobicContact CG-CE 3.9Å; K236-M409 HydrophobicContact CG-SD 4.26Å; F256-M409 PolarHBondContact O-N 3Å; F258-M409 PolarHBondContact N-O 2.85Å; L362-M409 WeakPolarHBondContact O-CA 3.36Å; N407-M409 WeakPolarHBondContact ND2-CG 3.34Å
410	F	95.4	Very high	82.8	Confident	2 Å²	2	43 Å²	43	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.3	175.1	171.4	-94.9	0	0	0	108.9	V111 F258 M318 F360 S361 L362 M412 F440 V442 L452	V111-F410 HydrophobicContact CG2-CB 4.1Å; F258-F410 AromaticContact CD1-CD2 3.66Å; F258-F410 HydrophobicContact CD1-CD2 3.66Å; F258-F410 AromaticContact CD1-CE2 3.74Å; F258-F410 HydrophobicContact CD1-CE2 3.74Å; F258-F410 HydrophobicContact CE1-CD2 4.36Å; F258-F410 AromaticContact CE1-CE2 3.98Å; F258-F410 HydrophobicContact CE1-CE2 3.98Å; F258-F410 HydrophobicContact CG-CD2 4.45Å; F258-F410 WeakPolarHBondContact O-CA 3.26Å; M318-F410 HydrophobicContact CE-CE1 4.45Å; M318-F410 HydrophobicContact CE-CE2 4.01Å; M318-F410 HydrophobicContact CE-CZ 3.47Å; M318-F410 VanDerWaalsContact CE-CZ 3.47Å; F360-F410 HydrophobicContact CD2-CD1 4.13Å; F360-F410 AromaticContact CD2-CE1 3.81Å; F360-F410 HydrophobicContact CD2-CE1 3.81Å; F360-F410 AromaticContact CE2-CD1 3.84Å; F360-F410 HydrophobicContact CE2-CD1 3.84Å; F360-F410 AromaticContact CE2-CE1 3.26Å; F360-F410 HydrophobicContact CE2-CE1 3.26Å; F360-F410 HydrophobicContact CE2-CZ 4.13Å; F360-F410 AromaticContact CZ-CE1 3.89Å; F360-F410 HydrophobicContact CZ-CE1 3.89Å; F360-F410 HydrophobicContact CZ-CZ 4.4Å; S361-F410 CarbonylContact C-O 3.53Å; S361-F410 WeakPolarHBondContact CA-O 3.44Å; S361-F410 WeakPolarHBondContact CB-O 3.37Å; L362-F410 HydrophobicContact CB-CB 4.49Å; L362-F410 PolarHBondContact N-O 2.92Å; L362-F410 PolarHBondContact O-N 2.91Å; F410-M412 HydrophobicContact CE1-CG 3.91Å; F410-M412 HydrophobicContact CE1-SD 4.44Å; F410-M412 HydrophobicContact CE2-CG 4.32Å; F410-M412 HydrophobicContact CE2-SD 3.8Å; F410-M412 HydrophobicContact CZ-CG 3.47Å; F410-M412 VanDerWaalsContact CZ-CG 3.47Å; F410-M412 HydrophobicContact CZ-SD 3.46Å; F410-M412 WeakPolarHBondContact CZ-SD 3.46Å; F410-F440 HydrophobicContact CD1-CE2 4.23Å; F410-F440 HydrophobicContact CD1-CZ 4.12Å; F410-F440 HydrophobicContact CD2-CE2 4.2Å; F410-F440 HydrophobicContact CE1-CE2 4.31Å; F410-F440 HydrophobicContact CE1-CZ 4.47Å; F410-F440 HydrophobicContact CE2-CE2 4.26Å; F410-F440 HydrophobicContact CG-CE2 4.18Å; F410-F440 HydrophobicContact CG-CZ 4.26Å; F410-F440 HydrophobicContact CZ-CE2 4.31Å; F410-V442 HydrophobicContact CD2-CG2 4.38Å; F410-V442 HydrophobicContact CE2-CG2 3.92Å; F410-L452 HydrophobicContact CB-CD1 4.13Å; F410-L452 HydrophobicContact CD2-CD1 3.52Å; F410-L452 HydrophobicContact CE2-CD1 4.41Å; F410-L452 HydrophobicContact CG-CD1 4.22Å
411	E	92.1	Very high	81	Confident	61 Å²	61	44.8 Å²	44.8	29%	0.285	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.1	172.3	60.6	-174.9	176	0	0	110.1	K236 F258 K259 G260	K236-E411 IonicContact NZ-OE1 3.29Å; K236-E411 PolarHBondContact NZ-OE1 3.13Å; F258-E411 PolarHBondContact O-N 3.45Å; K259-E411 CarbonylContact C-O 3.53Å; K259-E411 VanDerWaalsContact CA-O 3.31Å; K259-E411 WeakPolarHBondContact CA-O 2.93Å; K259-E411 HydrophobicContact CB-CG 3.77Å; K259-E411 HydrophobicContact CD-CG 4.45Å; K259-E411 HydrophobicContact CG-CG 3.88Å; G260-E411 PolarHBondContact N-O 2.91Å
412	M	87.3	Confident	79.3	Confident	35 Å²	35	46.7 Å²	46.7	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.9	170.4	-66.7	-60	-60.1	0	0	108.2	G260 W262 L312 M318 F410	G260-M412 CarbonylContact O-C 3.51Å; G260-M412 WeakPolarHBondContact O-CA 3.48Å; W262-M412 HydrophobicContact CD2-CE 3.59Å; W262-M412 HydrophobicContact CE3-CE 3.74Å; W262-M412 HydrophobicContact CG-CE 4.13Å; W262-M412 HydrophobicContact CH2-CE 3.98Å; W262-M412 HydrophobicContact CH2-CG 4.11Å; W262-M412 HydrophobicContact CZ2-CB 3.94Å; W262-M412 HydrophobicContact CZ2-CE 3.83Å; W262-M412 HydrophobicContact CZ2-CG 3.65Å; W262-M412 HydrophobicContact CZ2-SD 4.43Å; W262-M412 HydrophobicContact CZ3-CE 3.93Å; L312-M412 HydrophobicContact CD2-CE 3.81Å; M318-M412 HydrophobicContact CE-SD 4.36Å; F410-M412 HydrophobicContact CE1-CG 3.91Å; F410-M412 HydrophobicContact CE1-SD 4.44Å; F410-M412 HydrophobicContact CE2-CG 4.32Å; F410-M412 HydrophobicContact CE2-SD 3.8Å; F410-M412 HydrophobicContact CZ-CG 3.47Å; F410-M412 VanDerWaalsContact CZ-CG 3.47Å; F410-M412 HydrophobicContact CZ-SD 3.46Å; F410-M412 WeakPolarHBondContact CZ-SD 3.46Å
413	S	76.3	Confident	77.7	Confident	20 Å²	20	47 Å²	47	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	154.7	166.9	92.1	0	0	0	0	110	G260 N261 W262 E415	G260-S413 PolarHBondContact O-N 2.92Å; N261-S413 WeakPolarHBondContact OD1-CB 3.47Å; N261-S413 PolarHBondContact OD1-OG 2.84Å; W262-S413 VanDerWaalsContact CD1-O 3.3Å; W262-S413 PolarHBondContact NE1-O 3.35Å; S413-E415 PolarHBondContact OG-N 3.33Å; S413-E415 PolarHBondContact OG-O 2.79Å
414	G	65.1	Low	76	Confident	61 Å²	61	50 Å²	50	63%	0.629	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	-1.5	174.6	0	0	0	0	0	113.9
415	E	63.4	Low	74.2	Confident	152 Å²	152	55.6 Å²	55.6	71%	0.71	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	151.1	-170	-64	-178	-176.4	0	0	111.2	S413	S413-E415 PolarHBondContact OG-N 3.33Å; S413-E415 PolarHBondContact OG-O 2.79Å
416	A	62.8	Low	72.4	Confident	48 Å²	48	60.5 Å²	60.5	40%	0.397	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.7	175.8	0	0	0	0	0	109.2	W262 A265 E418	W262-A416 WeakPolarHBondContact O-CA 3.49Å; A265-A416 HydrophobicContact CB-CB 3.52Å; A416-E418 VanDerWaalsContact C-N 3.31Å
417	A	59.3	Low	71.1	Confident	31 Å²	31	63.1 Å²	63.1	26%	0.256	42%	0.416	S	S	.	.	S	Bend	trans	-67.5	-33.2	171.3	0	0	0	0	0	111.9	N261 W262	N261-A417 HydrophobicContact CB-CB 3.91Å; W262-A417 PolarHBondContact O-N 3.5Å
418	E	60.2	Low	70.5	Confident	70 Å²	70	70.2 Å²	70.2	33%	0.327	46%	0.459	S	S	.	.	S	Bend	trans	-139	148.6	175.6	-69.1	-168.3	176.3	0	0	112.5	M263 K314 A416 H420	M263-E418 PolarHBondContact O-N 2.84Å; K314-E418 WeakPolarHBondContact CE-OE1 3.14Å; K314-E418 IonicContact NZ-OE1 3.84Å; K314-E418 PolarHBondContact NZ-OE1 3.29Å; A416-E418 VanDerWaalsContact C-N 3.31Å; E418-H420 VanDerWaalsContact C-N 3.32Å; E418-H420 PolarHBondContact O-N 2.79Å; E418-H420 IonicContact OE2-CE1 3.88Å; E418-H420 PolarHBondContact OE2-CE1 2.93Å; E418-H420 VanDerWaalsContact OE2-CE1 3.29Å; E418-H420 IonicContact OE2-ND1 3.1Å
419	P	50.8	Low	70.1	Confident	140 Å²	140	71.4 Å²	71.4	91%	0.909	47%	0.469	S	S	*	.			trans	-69.7	88.2	168.1	27.9	-31.2	0	0	0	109.7
420	H	57.6	Low	69.9	Low	69 Å²	69	74.5 Å²	74.5	32%	0.319	49%	0.485	S	S	.	.			trans	-86.7	139.2	179.8	-101.4	48.6	0	0	0	112.9	A264 E418	A264-H420 HydrophobicContact CB-CB 3.61Å; E418-H420 VanDerWaalsContact C-N 3.32Å; E418-H420 PolarHBondContact O-N 2.79Å; E418-H420 IonicContact OE2-CE1 3.88Å; E418-H420 PolarHBondContact OE2-CE1 2.93Å; E418-H420 VanDerWaalsContact OE2-CE1 3.29Å; E418-H420 IonicContact OE2-ND1 3.1Å
421	A	55.3	Low	69.8	Low	77 Å²	77	81.7 Å²	81.7	64%	0.636	52%	0.516	S	S	*	.			trans	-61.2	151.9	178	0	0	0	0	0	112
422	G	61	Low	70	Confident	52 Å²	52	79.9 Å²	79.9	54%	0.536	51%	0.509	S	S	.	.			trans	-60.2	174.7	173	0	0	0	0	0	112.7	T424	G422-T424 PolarHBondContact O-N 2.76Å
423	P	62.1	Low	70.4	Confident	66 Å²	66	80 Å²	80	43%	0.429	51%	0.513	S	S	.	.			trans	-53	131.6	-177.7	22.6	-33.1	0	0	0	111.5	L352 E425	L352-P423 HydrophobicContact CD1-CB 3.57Å; P423-E425 VanDerWaalsContact C-N 3.31Å
424	T	60.5	Low	71.4	Confident	122 Å²	122	79.1 Å²	79.1	75%	0.748	51%	0.506	S	S	*	.	S	Bend	trans	-77.6	-16.3	-178.3	19.2	0	0	0	0	113.1	N294 G422	N294-T424 PolarHBondContact ND2-OG1 3.12Å; G422-T424 PolarHBondContact O-N 2.76Å
425	E	61.3	Low	72.9	Confident	120 Å²	120	78.3 Å²	78.3	56%	0.561	49%	0.488	S	S	*	.	S	Bend	trans	-111.6	131	-178.4	-64.2	-166.6	156.9	0	0	112.2	P423 G427	P423-E425 VanDerWaalsContact C-N 3.31Å; E425-G427 PolarHBondContact O-N 2.87Å
426	A	60.3	Low	74.4	Confident	117 Å²	117	73.7 Å²	73.7	97%	0.967	46%	0.464	S	S	*	.			trans	-78	102.7	166	0	0	0	0	0	108.7
427	G	71.2	Confident	76	Confident	55 Å²	55	72.6 Å²	72.6	57%	0.567	45%	0.453	S	S	*	.	S	Bend	trans	-159.4	168.1	-177.6	0	0	0	0	0	113.2	L352 E425 A429	L352-G427 VanDerWaalsContact CD2-O 3.31Å; L352-G427 WeakPolarHBondContact CD2-O 3.42Å; E425-G427 PolarHBondContact O-N 2.87Å; G427-A429 PolarHBondContact O-N 3.34Å
428	V	83.8	Confident	77.8	Confident	149 Å²	149	71.1 Å²	71.1	90%	0.903	44%	0.441	S	S	*	.			trans	-80.4	114.1	171.3	179.8	0	0	0	0	108
429	A	88.8	Confident	79.6	Confident	25 Å²	25	67.8 Å²	67.8	21%	0.207	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-68.2	134.2	178.5	0	0	0	0	0	111.2	T292 L352 E354 G427	T292-A429 HydrophobicContact CG2-CB 3.64Å; L352-A429 HydrophobicContact CD2-CB 4.01Å; L352-A429 HydrophobicContact CG-CB 3.85Å; E354-A429 HydrophobicContact CB-CB 4.18Å; G427-A429 PolarHBondContact O-N 3.34Å
430	L	92.8	Very high	81.7	Confident	92 Å²	92	61.1 Å²	61.1	48%	0.482	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.9	167.2	177.2	68.7	0	0	0	108.6	Y297 L352 L353 E354	Y297-L430 HydrophobicContact CE2-CD2 3.92Å; L352-L430 PolarHBondContact O-N 3Å; L353-L430 CarbonylContact C-O 3.55Å; L353-L430 VanDerWaalsContact CA-O 3.31Å; L353-L430 WeakPolarHBondContact CA-O 3.48Å; L353-L430 HydrophobicContact CD1-CB 3.96Å; L353-L430 HydrophobicContact CD1-CD2 4.07Å; L353-L430 HydrophobicContact CD1-CG 3.96Å; L353-L430 WeakPolarHBondContact CD1-O 3.36Å; E354-L430 PolarHBondContact N-O 3.37Å
431	K	94.1	Very high	83.6	Confident	153 Å²	153	57.9 Å²	57.9	67%	0.665	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	177.7	-60	-168.7	176.7	-129.8	0	110.6	E354	E354-K431 HydrophobicContact CB-CG 4.37Å; E354-K431 WeakPolarHBondContact OE1-CD 3.43Å; E354-K431 WeakPolarHBondContact OE1-CE 3.32Å; E354-K431 IonicContact OE1-NZ 2.72Å; E354-K431 PolarHBondContact OE1-NZ 2.9Å
432	L	95.7	Very high	85.5	Confident	24 Å²	24	54.2 Å²	54.2	13%	0.126	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115.8	172	-179.6	67.4	0	0	0	109.1	T306 V308 L322 L353 E354 L355 S356 I434	T306-L432 HydrophobicContact CG2-CD1 4.24Å; T306-L432 HydrophobicContact CG2-CD2 3.89Å; V308-L432 HydrophobicContact CG2-CD2 3.39Å; L322-L432 HydrophobicContact CD2-CD1 3.89Å; L353-L432 HydrophobicContact CD1-CB 3.56Å; L353-L432 HydrophobicContact CD2-CB 4.08Å; L353-L432 HydrophobicContact CD2-CD2 4.01Å; L353-L432 HydrophobicContact CG-CB 4.14Å; E354-L432 PolarHBondContact O-N 3.28Å; L355-L432 WeakPolarHBondContact CA-O 3.38Å; L355-L432 HydrophobicContact CD1-CB 4.35Å; L355-L432 HydrophobicContact CD1-CD2 4.02Å; L355-L432 HydrophobicContact CD1-CG 4.2Å; S356-L432 PolarHBondContact N-O 3Å; L432-I434 HydrophobicContact CD2-CD1 4.14Å; L432-I434 HydrophobicContact CG-CD1 4.1Å
433	S	95.9	Very high	87.1	Confident	36 Å²	36	51.8 Å²	51.8	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125	174.1	-176.2	0	0	0	0	110.3	N435	S433-N435 PolarHBondContact O-N 3.3Å; S433-N435 VanDerWaalsContact O-N 3.13Å
434	I	97.1	Very high	88.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	29%	0.291	C	S	.	.			trans	-85.3	68.7	174.1	-49.4	-53.7	0	0	0	108	L322 L355 S356 L357 P358 L432 F438	L322-I434 HydrophobicContact CB-CD1 4.1Å; L322-I434 HydrophobicContact CD1-CD1 4.47Å; L322-I434 HydrophobicContact CD1-CG2 4.31Å; L322-I434 HydrophobicContact CD2-CD1 3.87Å; L322-I434 HydrophobicContact CG-CD1 4.38Å; L355-I434 HydrophobicContact CD1-CD1 4.1Å; L355-I434 HydrophobicContact CD1-CG1 3.91Å; S356-I434 WeakPolarHBondContact O-CB 3.37Å; S356-I434 WeakPolarHBondContact O-CG1 3.1Å; S356-I434 PolarHBondContact O-N 3.02Å; L357-I434 HydrophobicContact CD1-CB 4.07Å; L357-I434 HydrophobicContact CD1-CG1 4.02Å; L357-I434 HydrophobicContact CD1-CG2 4.08Å; P358-I434 WeakPolarHBondContact CD-O 3.25Å; L432-I434 HydrophobicContact CD2-CD1 4.14Å; L432-I434 HydrophobicContact CG-CD1 4.1Å; I434-F438 HydrophobicContact CG2-CB 3.89Å; I434-F438 HydrophobicContact CG2-CD1 3.26Å; I434-F438 HydrophobicContact CG2-CD2 4.05Å; I434-F438 HydrophobicContact CG2-CE1 3.66Å; I434-F438 HydrophobicContact CG2-CE2 4.39Å; I434-F438 HydrophobicContact CG2-CG 3.47Å; I434-F438 VanDerWaalsContact CG2-CG 3.47Å; I434-F438 HydrophobicContact CG2-CZ 4.2Å
435	N	96.2	Very high	90	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	27%	0.273	C	S	.	.			trans	-105.9	20.8	-172.5	68.6	-13.3	0	0	0	114.1	F276 H277 S433	F276-N435 VanDerWaalsContact CD2-C 3.49Å; H277-N435 PolarHBondContact CD2-O 2.99Å; H277-N435 PolarHBondContact N-O 2.8Å; S433-N435 PolarHBondContact O-N 3.3Å; S433-N435 VanDerWaalsContact O-N 3.13Å
436	R	96.3	Very high	91.4	Very high	54 Å²	54	47.1 Å²	47.1	20%	0.204	28%	0.275	C	S	.	.	S	Bend	trans	-155.9	167.7	179.9	64.1	179.8	172.8	-78.4	3.6	110	F276 H277 L322 P323 F438	F276-R436 WeakPolarHBondContact CE2-O 3.44Å; F276-R436 VanDerWaalsContact CZ-O 3.26Å; F276-R436 WeakPolarHBondContact CZ-O 3.2Å; H277-R436 HydrophobicContact CB-CB 4.38Å; H277-R436 WeakPolarHBondContact O-CA 3.43Å; L322-R436 HydrophobicContact CD1-CG 3.63Å; L322-R436 VanDerWaalsContact CD2-NH2 3.29Å; P323-R436 VanDerWaalsContact O-CZ 3.3Å; P323-R436 PolarHBondContact O-NE 2.86Å; P323-R436 PolarHBondContact O-NH2 2.9Å; R436-F438 PolarHBondContact O-N 2.93Å
437	P	96.7	Very high	92.8	Very high	25 Å²	25	43.1 Å²	43.1	16%	0.162	24%	0.235	C	C	.	.			trans	-48	130.5	-175.7	-32.3	32.4	0	0	0	114.1	H277 V278 P323 L329 I456	H277-P437 WeakPolarHBondContact O-CD 3.25Å; V278-P437 WeakPolarHBondContact O-CG 3.38Å; P323-P437 WeakPolarHBondContact CD-O 3.08Å; L329-P437 HydrophobicContact CB-CB 4.26Å; L329-P437 HydrophobicContact CD2-CB 4.08Å; P437-I456 WeakPolarHBondContact CA-O 3.5Å
438	F	96.7	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159	-174.5	67.6	-87	0	0	0	111.2	F276 L320 M321 L322 L357 P358 F360 I434 R436 K455 I456	F276-F438 HydrophobicContact CE2-CD1 4.16Å; F276-F438 HydrophobicContact CE2-CE1 4.12Å; F276-F438 HydrophobicContact CZ-CD1 4.29Å; F276-F438 HydrophobicContact CZ-CE1 4.45Å; L320-F438 HydrophobicContact CD2-CD2 3.96Å; L320-F438 HydrophobicContact CD2-CE2 3.85Å; M321-F438 WeakPolarHBondContact O-CA 3.46Å; M321-F438 WeakPolarHBondContact O-CB 3.44Å; L322-F438 HydrophobicContact CD1-CB 4.11Å; L357-F438 HydrophobicContact CD1-CE2 4.41Å; L357-F438 HydrophobicContact CD1-CZ 4.22Å; P358-F438 HydrophobicContact CG-CE1 3.93Å; P358-F438 HydrophobicContact CG-CZ 4.36Å; F360-F438 AromaticContact CD1-CZ 3.91Å; F360-F438 HydrophobicContact CD1-CZ 3.91Å; F360-F438 HydrophobicContact CE1-CE2 4.01Å; F360-F438 AromaticContact CE1-CZ 3.76Å; F360-F438 HydrophobicContact CE1-CZ 3.76Å; F360-F438 HydrophobicContact CZ-CE2 4.09Å; F360-F438 HydrophobicContact CZ-CZ 4.22Å; I434-F438 HydrophobicContact CG2-CB 3.89Å; I434-F438 HydrophobicContact CG2-CD1 3.26Å; I434-F438 HydrophobicContact CG2-CD2 4.05Å; I434-F438 HydrophobicContact CG2-CE1 3.66Å; I434-F438 HydrophobicContact CG2-CE2 4.39Å; I434-F438 HydrophobicContact CG2-CG 3.47Å; I434-F438 VanDerWaalsContact CG2-CG 3.47Å; I434-F438 HydrophobicContact CG2-CZ 4.2Å; R436-F438 PolarHBondContact O-N 2.93Å; F438-K455 WeakPolarHBondContact O-CA 3.43Å; F438-I456 HydrophobicContact CD1-CB 3.98Å; F438-I456 HydrophobicContact CD1-CG2 4.39Å; F438-I456 HydrophobicContact CE1-CB 3.51Å; F438-I456 HydrophobicContact CE1-CG1 3.94Å; F438-I456 HydrophobicContact CE1-CG2 3.72Å; F438-I456 HydrophobicContact CE2-CB 4.23Å; F438-I456 HydrophobicContact CE2-CG1 3.94Å; F438-I456 HydrophobicContact CZ-CB 3.66Å; F438-I456 HydrophobicContact CZ-CG1 3.51Å; F438-I456 HydrophobicContact CZ-CG2 4.14Å; F438-I456 PolarHBondContact N-O 3.05Å; F438-I456 VanDerWaalsContact N-O 3.08Å; F438-I456 PolarHBondContact O-N 2.72Å
439	F	96.6	Very high	94.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	149.2	172.3	168.8	-91.4	0	0	0	109.4	Y100 M321 L329 L336 L453 G454	Y100-F439 HydrophobicContact CE1-CD2 4.23Å; Y100-F439 AromaticContact CE1-CE2 3.79Å; Y100-F439 HydrophobicContact CE1-CE2 3.79Å; Y100-F439 AromaticContact CZ-CE2 3.84Å; Y100-F439 WeakPolarHBondContact OH-CD2 3.37Å; M321-F439 HydrophobicContact CB-CB 4.31Å; M321-F439 HydrophobicContact CB-CD1 4.16Å; M321-F439 HydrophobicContact CE-CB 3.48Å; M321-F439 VanDerWaalsContact CE-CB 3.48Å; M321-F439 HydrophobicContact CE-CG 4.28Å; M321-F439 PolarHBondContact N-O 2.85Å; M321-F439 PolarHBondContact O-N 2.86Å; L329-F439 HydrophobicContact CD1-CB 4Å; L336-F439 HydrophobicContact CD1-CD1 4.37Å; L336-F439 HydrophobicContact CD1-CD2 3.77Å; L336-F439 HydrophobicContact CD1-CE1 4.28Å; L336-F439 HydrophobicContact CD1-CE2 3.67Å; L336-F439 HydrophobicContact CD1-CG 4.12Å; L336-F439 HydrophobicContact CD1-CZ 3.93Å; L336-F439 HydrophobicContact CD2-CE1 4.41Å; F439-L453 HydrophobicContact CE2-CB 4.4Å; F439-L453 HydrophobicContact CE2-CD2 4.14Å; F439-L453 HydrophobicContact CZ-CD2 3.59Å; F439-G454 CarbonylContact C-O 3.51Å; F439-G454 WeakPolarHBondContact CA-O 3.21Å; F439-G454 WeakPolarHBondContact CD2-O 3.31Å
440	F	96.2	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.1	167.9	76.2	-80.9	0	0	0	111.7	V111 M318 L319 L320 F360 L362 F410 V442 G454	V111-F440 HydrophobicContact CG2-CZ 4.19Å; M318-F440 HydrophobicContact CE-CD2 4.34Å; M318-F440 HydrophobicContact CG-CB 4.19Å; M318-F440 HydrophobicContact CG-CD2 4.48Å; M318-F440 HydrophobicContact SD-CB 4.18Å; M318-F440 HydrophobicContact SD-CD2 4.42Å; L319-F440 CarbonylContact O-C 3.59Å; L319-F440 WeakPolarHBondContact O-CA 3.3Å; L320-F440 HydrophobicContact CD2-CB 3.63Å; F360-F440 AromaticContact CE2-CD1 4Å; F360-F440 HydrophobicContact CE2-CD1 4Å; F360-F440 AromaticContact CE2-CE1 3.81Å; F360-F440 HydrophobicContact CE2-CE1 3.81Å; F360-F440 HydrophobicContact CE2-CE2 4.37Å; F360-F440 HydrophobicContact CE2-CG 4.36Å; F360-F440 HydrophobicContact CE2-CZ 4.01Å; F360-F440 HydrophobicContact CZ-CD1 4.35Å; F360-F440 HydrophobicContact CZ-CG 4.41Å; L362-F440 HydrophobicContact CD1-CE1 3.58Å; L362-F440 HydrophobicContact CD1-CZ 3.83Å; F410-F440 HydrophobicContact CD1-CE2 4.23Å; F410-F440 HydrophobicContact CD1-CZ 4.12Å; F410-F440 HydrophobicContact CD2-CE2 4.2Å; F410-F440 HydrophobicContact CE1-CE2 4.31Å; F410-F440 HydrophobicContact CE1-CZ 4.47Å; F410-F440 HydrophobicContact CE2-CE2 4.26Å; F410-F440 HydrophobicContact CG-CE2 4.18Å; F410-F440 HydrophobicContact CG-CZ 4.26Å; F410-F440 HydrophobicContact CZ-CE2 4.31Å; F440-V442 HydrophobicContact CD2-CG2 4.43Å; F440-V442 HydrophobicContact CE2-CG2 4.45Å; F440-G454 PolarHBondContact N-O 2.54Å; F440-G454 PolarHBondContact O-N 3.02Å
441	S	96.6	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.4	167.1	62.5	0	0	0	0	110.5	M318 L319 M341 L452	M318-S441 CarbonylContact C-O 3.49Å; M318-S441 VanDerWaalsContact CA-O 3.24Å; M318-S441 WeakPolarHBondContact CA-O 3.47Å; L319-S441 PolarHBondContact N-O 3.45Å; L319-S441 PolarHBondContact O-N 2.88Å; M341-S441 WeakPolarHBondContact CE-OG 3.47Å; S441-L452 CarbonylContact C-O 3.5Å; S441-L452 WeakPolarHBondContact CA-O 3.31Å; S441-L452 VanDerWaalsContact CB-O 3.3Å; S441-L452 WeakPolarHBondContact CB-O 3.48Å
442	V	96.2	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.3	169.8	-177.2	0	0	0	0	108.3	F258 L312 M318 F410 F440 L451 L452	F258-V442 HydrophobicContact CD2-CG1 4.43Å; F258-V442 HydrophobicContact CE1-CG1 4.18Å; F258-V442 HydrophobicContact CE1-CG2 4.41Å; F258-V442 HydrophobicContact CE2-CG1 3.8Å; F258-V442 HydrophobicContact CZ-CG1 3.67Å; L312-V442 HydrophobicContact CD1-CG1 3.98Å; L312-V442 HydrophobicContact CD1-CG2 4.32Å; M318-V442 HydrophobicContact CE-CG2 4.44Å; F410-V442 HydrophobicContact CD2-CG2 4.38Å; F410-V442 HydrophobicContact CE2-CG2 3.92Å; F440-V442 HydrophobicContact CD2-CG2 4.43Å; F440-V442 HydrophobicContact CE2-CG2 4.45Å; V442-L451 HydrophobicContact CG1-CB 4.48Å; V442-L451 HydrophobicContact CG1-CD1 4.33Å; V442-L451 PolarHBondContact O-N 3.3Å; V442-L452 HydrophobicContact CB-CB 3.98Å; V442-L452 HydrophobicContact CB-CD1 4.27Å; V442-L452 HydrophobicContact CB-CG 4.4Å; V442-L452 HydrophobicContact CG2-CB 4.15Å; V442-L452 HydrophobicContact CG2-CD1 3.99Å; V442-L452 PolarHBondContact N-O 3.3Å; V442-L452 PolarHBondContact O-N 2.82Å; V442-L452 VanDerWaalsContact O-N 3.15Å
443	I	94.8	Very high	95	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136	-170.1	-56.1	179.6	0	0	0	108.6	S316 H317 L319 M341 E448 S449 I450	S316-I443 VanDerWaalsContact CA-O 3.25Å; S316-I443 WeakPolarHBondContact CA-O 3.1Å; S316-I443 WeakPolarHBondContact CB-O 3.47Å; H317-I443 PolarHBondContact N-O 2.93Å; H317-I443 PolarHBondContact O-N 2.9Å; L319-I443 HydrophobicContact CD1-CD1 3.76Å; L319-I443 HydrophobicContact CG-CD1 4Å; M341-I443 HydrophobicContact CE-CD1 3.94Å; I443-E448 HydrophobicContact CG2-CB 4.39Å; I443-S449 WeakPolarHBondContact CA-O 3.31Å; I443-I450 HydrophobicContact CG1-CG1 4.44Å
444	E	93.4	Very high	95	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.7	170.1	-175.8	-77.6	135.1	0	0	109.8	L170 V171 Q315 H446 Y447 E448 S449 L451	L170-E444 HydrophobicContact CB-CG 4.34Å; V171-E444 HydrophobicContact CG2-CB 3.88Å; V171-E444 HydrophobicContact CG2-CG 3.58Å; Q315-E444 CarbonylContact O-C 3.59Å; Q315-E444 WeakPolarHBondContact O-CA 3.06Å; E444-H446 VanDerWaalsContact CD-N 3.34Å; E444-H446 WeakPolarHBondContact OE1-CA 3.41Å; E444-H446 WeakPolarHBondContact OE1-CB 3.35Å; E444-H446 PolarHBondContact OE1-N 2.84Å; E444-H446 PolarHBondContact OE2-N 2.84Å; E444-Y447 WeakPolarHBondContact OE2-CA 3.49Å; E444-Y447 WeakPolarHBondContact OE2-CB 3.46Å; E444-Y447 PolarHBondContact OE2-N 3.01Å; E444-E448 WeakPolarHBondContact O-CA 3.31Å; E444-E448 PolarHBondContact O-N 3.22Å; E444-E448 VanDerWaalsContact O-N 3.12Å; E444-S449 PolarHBondContact N-O 2.71Å; E444-L451 HydrophobicContact CB-CD1 4.38Å; E444-L451 HydrophobicContact CB-CD2 4.42Å; E444-L451 HydrophobicContact CB-CG 4.38Å
445	E	90	Very high	95	Very high	79 Å²	79	23.2 Å²	23.2	37%	0.369	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-32.4	-163.8	-174.1	73.1	-144.8	0	0	113.6	K309 Q315 H317	K309-E445 WeakPolarHBondContact CE-OE2 3.32Å; K309-E445 IonicContact NZ-OE1 2.71Å; K309-E445 PolarHBondContact NZ-OE1 3.41Å; K309-E445 IonicContact NZ-OE2 3.32Å; K309-E445 PolarHBondContact NZ-OE2 2.85Å; Q315-E445 PolarHBondContact O-N 2.83Å; H317-E445 IonicContact CE1-OE2 3.73Å; H317-E445 IonicContact CG-OE2 3.45Å; H317-E445 IonicContact ND1-OE2 2.76Å; H317-E445 PolarHBondContact ND1-OE2 2.86Å
446	H	89.2	Confident	95	Very high	129 Å²	129	21.1 Å²	21.1	60%	0.597	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-44.1	-169.6	-167.4	51.7	0	0	0	114	E444	E444-H446 VanDerWaalsContact CD-N 3.34Å; E444-H446 WeakPolarHBondContact OE1-CA 3.41Å; E444-H446 WeakPolarHBondContact OE1-CB 3.35Å; E444-H446 PolarHBondContact OE1-N 2.84Å; E444-H446 PolarHBondContact OE2-N 2.84Å
447	Y	90.1	Very high	94.9	Very high	33 Å²	33	19.9 Å²	19.9	13%	0.129	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	2.9	-179.7	-57.1	-67.3	0	0	0	113.2	T82 M85 A86 L170 E444 S449	T82-Y447 WeakPolarHBondContact CA-OH 3.46Å; T82-Y447 WeakPolarHBondContact CB-OH 3.45Å; T82-Y447 HydrophobicContact CG2-CE1 3.77Å; T82-Y447 WeakPolarHBondContact CG2-OH 3.43Å; T82-Y447 WeakPolarHBondContact O-CE1 3.4Å; T82-Y447 PolarHBondContact OG1-OH 3.43Å; M85-Y447 HydrophobicContact CB-CD1 4.41Å; M85-Y447 HydrophobicContact CB-CD2 3.74Å; M85-Y447 HydrophobicContact CB-CE1 4.42Å; M85-Y447 HydrophobicContact CB-CE2 3.73Å; M85-Y447 HydrophobicContact CB-CG 4.08Å; M85-Y447 HydrophobicContact CE-CD2 4.37Å; M85-Y447 HydrophobicContact CE-CE2 3.35Å; M85-Y447 WeakPolarHBondContact CE-OH 3.31Å; M85-Y447 HydrophobicContact CG-CE2 4.33Å; M85-Y447 HydrophobicContact SD-CD2 4.19Å; M85-Y447 HydrophobicContact SD-CE2 3.69Å; A86-Y447 HydrophobicContact CB-CD1 3.85Å; A86-Y447 HydrophobicContact CB-CE1 4.27Å; L170-Y447 HydrophobicContact CD1-CD2 3.79Å; L170-Y447 HydrophobicContact CD1-CE2 3.6Å; E444-Y447 WeakPolarHBondContact OE2-CA 3.49Å; E444-Y447 WeakPolarHBondContact OE2-CB 3.46Å; E444-Y447 PolarHBondContact OE2-N 3.01Å; Y447-S449 PolarHBondContact O-N 3.4Å
448	E	91.7	Very high	94.8	Very high	93 Å²	93	19.6 Å²	19.6	44%	0.435	9%	0.093	S	C	.	.			trans	57.1	30.8	-176.9	-56.7	-172.1	138.6	0	0	112.5	N93 H345 I443 E444 I450	N93-E448 PolarHBondContact ND2-O 2.79Å; H345-E448 IonicContact CD2-OE1 2.9Å; H345-E448 IonicContact CG-OE1 2.77Å; I443-E448 HydrophobicContact CG2-CB 4.39Å; E444-E448 WeakPolarHBondContact O-CA 3.31Å; E444-E448 PolarHBondContact O-N 3.22Å; E444-E448 VanDerWaalsContact O-N 3.12Å; E448-I450 PolarHBondContact O-N 3.29Å
449	S	93.8	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.			trans	-68.4	125.1	178.1	-59.6	0	0	0	0	110	A89 I443 E444 Y447 L451	A89-S449 VanDerWaalsContact CB-OG 3.31Å; A89-S449 WeakPolarHBondContact CB-OG 3.4Å; I443-S449 WeakPolarHBondContact CA-O 3.31Å; E444-S449 PolarHBondContact N-O 2.71Å; Y447-S449 PolarHBondContact O-N 3.4Å; S449-L451 PolarHBondContact O-N 2.97Å
450	I	95.8	Very high	94	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.4	177.6	-60.7	172.2	0	0	0	108.9	N93 L97 P114 M341 I443 E448 L453	N93-I450 HydrophobicContact CB-CD1 3.93Å; N93-I450 HydrophobicContact CB-CG1 4.34Å; N93-I450 WeakPolarHBondContact OD1-CG1 3.14Å; N93-I450 PolarHBondContact OD1-N 3.3Å; L97-I450 HydrophobicContact CD1-CD1 4.36Å; L97-I450 HydrophobicContact CG-CD1 4.36Å; P114-I450 HydrophobicContact CG-CB 4.39Å; P114-I450 HydrophobicContact CG-CG2 3.94Å; M341-I450 HydrophobicContact CE-CD1 4.11Å; M341-I450 HydrophobicContact SD-CD1 3.96Å; I443-I450 HydrophobicContact CG1-CG1 4.44Å; E448-I450 PolarHBondContact O-N 3.29Å; I450-L453 HydrophobicContact CG2-CD1 4.23Å; I450-L453 HydrophobicContact CG2-CD2 3.64Å; I450-L453 HydrophobicContact CG2-CG 3.64Å
451	L	97.1	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-42	178.7	-56.6	-176.8	0	0	0	111.7	S113 P114 V115 I167 V171 I179 F256 F258 V442 E444 S449	S113-L451 WeakPolarHBondContact CA-O 3.11Å; S113-L451 WeakPolarHBondContact CB-O 3.46Å; S113-L451 PolarHBondContact OG-O 2.8Å; S113-L451 VanDerWaalsContact OG-O 3.05Å; P114-L451 WeakPolarHBondContact CD-O 3.31Å; V115-L451 HydrophobicContact CG2-CD2 3.84Å; I167-L451 HydrophobicContact CG2-CD2 3.91Å; V171-L451 HydrophobicContact CB-CD1 4.32Å; V171-L451 HydrophobicContact CG1-CD1 4.3Å; V171-L451 HydrophobicContact CG2-CD1 3.8Å; I179-L451 HydrophobicContact CD1-CD1 3.89Å; F256-L451 HydrophobicContact CZ-CB 4.48Å; F258-L451 HydrophobicContact CE2-CD1 4.47Å; V442-L451 HydrophobicContact CG1-CB 4.48Å; V442-L451 HydrophobicContact CG1-CD1 4.33Å; V442-L451 PolarHBondContact O-N 3.3Å; E444-L451 HydrophobicContact CB-CD1 4.38Å; E444-L451 HydrophobicContact CB-CD2 4.42Å; E444-L451 HydrophobicContact CB-CG 4.38Å; S449-L451 PolarHBondContact O-N 2.97Å
452	L	97.8	Very high	93.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.2	-178.4	-64.8	173.4	0	0	0	112.3	V111 F112 F256 F258 V408 F410 S441 V442	V111-L452 HydrophobicContact CG2-CD2 3.93Å; F112-L452 CarbonylContact O-C 3.58Å; F112-L452 WeakPolarHBondContact O-CA 3.34Å; F256-L452 HydrophobicContact CD1-CD2 3.99Å; F256-L452 HydrophobicContact CE1-CD1 4.47Å; F256-L452 HydrophobicContact CE1-CD2 3.72Å; F256-L452 HydrophobicContact CE1-CG 4.06Å; F258-L452 HydrophobicContact CB-CD1 3.64Å; F258-L452 HydrophobicContact CD1-CD1 4.2Å; F258-L452 HydrophobicContact CG-CD1 3.89Å; V408-L452 HydrophobicContact CG1-CD2 3.41Å; V408-L452 VanDerWaalsContact CG1-CD2 3.41Å; F410-L452 HydrophobicContact CB-CD1 4.13Å; F410-L452 HydrophobicContact CD2-CD1 3.52Å; F410-L452 HydrophobicContact CE2-CD1 4.41Å; F410-L452 HydrophobicContact CG-CD1 4.22Å; S441-L452 CarbonylContact C-O 3.5Å; S441-L452 WeakPolarHBondContact CA-O 3.31Å; S441-L452 VanDerWaalsContact CB-O 3.3Å; S441-L452 WeakPolarHBondContact CB-O 3.48Å; V442-L452 HydrophobicContact CB-CB 3.98Å; V442-L452 HydrophobicContact CB-CD1 4.27Å; V442-L452 HydrophobicContact CB-CG 4.4Å; V442-L452 HydrophobicContact CG2-CB 4.15Å; V442-L452 HydrophobicContact CG2-CD1 3.99Å; V442-L452 PolarHBondContact N-O 3.3Å; V442-L452 PolarHBondContact O-N 2.82Å; V442-L452 VanDerWaalsContact O-N 3.15Å
453	L	97.4	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.1	170.6	-65.1	167.1	0	0	0	107.6	L97 Y100 V111 F112 P114 F439 I450	L97-L453 HydrophobicContact CD2-CD1 3.89Å; L97-L453 HydrophobicContact CD2-CD2 3.79Å; L97-L453 HydrophobicContact CG-CD1 4.33Å; Y100-L453 HydrophobicContact CD1-CB 4.39Å; Y100-L453 HydrophobicContact CD1-CD1 4.46Å; Y100-L453 HydrophobicContact CD2-CB 3.61Å; Y100-L453 HydrophobicContact CD2-CD1 4.49Å; Y100-L453 HydrophobicContact CE2-CB 3.97Å; Y100-L453 HydrophobicContact CG-CB 3.82Å; Y100-L453 HydrophobicContact CG-CD1 3.94Å; Y100-L453 HydrophobicContact CG-CG 4.48Å; V111-L453 CarbonylContact C-O 3.55Å; V111-L453 WeakPolarHBondContact CA-O 3.44Å; F112-L453 HydrophobicContact CD1-CD1 4.34Å; F112-L453 PolarHBondContact N-O 2.89Å; F112-L453 PolarHBondContact O-N 3.43Å; P114-L453 HydrophobicContact CG-CD1 3.76Å; P114-L453 HydrophobicContact CG-CG 4.2Å; F439-L453 HydrophobicContact CE2-CB 4.4Å; F439-L453 HydrophobicContact CE2-CD2 4.14Å; F439-L453 HydrophobicContact CZ-CD2 3.59Å; I450-L453 HydrophobicContact CG2-CD1 4.23Å; I450-L453 HydrophobicContact CG2-CD2 3.64Å; I450-L453 HydrophobicContact CG2-CG 3.64Å
454	G	96.1	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	163	-178.6	0	0	0	0	0	114.8	T110 F439 F440	T110-G454 CarbonylContact O-C 3.59Å; T110-G454 WeakPolarHBondContact O-CA 3.31Å; F439-G454 CarbonylContact C-O 3.51Å; F439-G454 WeakPolarHBondContact CA-O 3.21Å; F439-G454 WeakPolarHBondContact CD2-O 3.31Å; F440-G454 PolarHBondContact N-O 2.54Å; F440-G454 PolarHBondContact O-N 3.02Å
455	K	95.6	Very high	92.8	Very high	19 Å²	19	38.1 Å²	38.1	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	172.8	59.6	175.7	178.9	-172.3	0	111	S104 Q107 N108 N109 T110 L329 E333 F438	S104-K455 WeakPolarHBondContact O-CE 3.34Å; S104-K455 PolarHBondContact O-NZ 3.14Å; Q107-K455 WeakPolarHBondContact O-CE 3.4Å; Q107-K455 PolarHBondContact O-NZ 3.5Å; Q107-K455 VanDerWaalsContact O-NZ 3.11Å; N108-K455 WeakPolarHBondContact O-CE 3.35Å; N108-K455 WeakPolarHBondContact O-CG 3.42Å; N109-K455 WeakPolarHBondContact CA-O 3.4Å; T110-K455 PolarHBondContact N-O 2.72Å; T110-K455 PolarHBondContact O-N 3.45Å; L329-K455 HydrophobicContact CD2-CB 3.78Å; L329-K455 HydrophobicContact CD2-CD 4.22Å; E333-K455 IonicContact OE1-NZ 3.31Å; E333-K455 IonicContact OE2-NZ 2.72Å; F438-K455 WeakPolarHBondContact O-CA 3.43Å
456	I	96.1	Very high	93	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.2	172.4	-60	-65.3	0	0	0	107.2	F276 F360 L362 P437 F438 P459	F276-I456 HydrophobicContact CZ-CG2 4.48Å; F360-I456 HydrophobicContact CB-CD1 3.97Å; F360-I456 HydrophobicContact CB-CG1 4.42Å; F360-I456 HydrophobicContact CD2-CD1 3.62Å; F360-I456 HydrophobicContact CD2-CG1 3.87Å; F360-I456 HydrophobicContact CE2-CD1 4.35Å; F360-I456 HydrophobicContact CE2-CG1 4.24Å; F360-I456 HydrophobicContact CG-CD1 3.96Å; F360-I456 HydrophobicContact CG-CG1 4.06Å; L362-I456 HydrophobicContact CD1-CD1 3.55Å; L362-I456 HydrophobicContact CD2-CD1 3.63Å; L362-I456 HydrophobicContact CG-CD1 3.68Å; P437-I456 WeakPolarHBondContact CA-O 3.5Å; F438-I456 HydrophobicContact CD1-CB 3.98Å; F438-I456 HydrophobicContact CD1-CG2 4.39Å; F438-I456 HydrophobicContact CE1-CB 3.51Å; F438-I456 HydrophobicContact CE1-CG1 3.94Å; F438-I456 HydrophobicContact CE1-CG2 3.72Å; F438-I456 HydrophobicContact CE2-CB 4.23Å; F438-I456 HydrophobicContact CE2-CG1 3.94Å; F438-I456 HydrophobicContact CZ-CB 3.66Å; F438-I456 HydrophobicContact CZ-CG1 3.51Å; F438-I456 HydrophobicContact CZ-CG2 4.14Å; F438-I456 PolarHBondContact N-O 3.05Å; F438-I456 VanDerWaalsContact N-O 3.08Å; F438-I456 PolarHBondContact O-N 2.72Å; I456-P459 HydrophobicContact CG2-CB 4.03Å
457	T	95	Very high	93.3	Very high	28 Å²	28	29.3 Å²	29.3	17%	0.172	15%	0.153	C	C	.	.	S	Bend	trans	-99	-31.7	170.1	55.8	0	0	0	0	111.4	N108 N109 F276	N108-T457 WeakPolarHBondContact CB-OG1 3.42Å; N108-T457 WeakPolarHBondContact O-CG2 3.04Å; N109-T457 PolarHBondContact N-OG1 3.02Å; N109-T457 PolarHBondContact OD1-N 2.85Å; N109-T457 PolarHBondContact OD1-OG1 3.48Å; F276-T457 WeakPolarHBondContact CE1-O 3.41Å
458	N	93.7	Very high	93.5	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.107	16%	0.155	C	C	.	.			trans	-145.7	112.8	174.9	179.3	-10.2	0	0	0	109.7	N109 V278 T460 L461	N109-N458 PolarHBondContact ND2-O 3.2Å; N109-N458 PolarHBondContact OD1-N 2.89Å; V278-N458 HydrophobicContact CG1-CB 4.43Å; V278-N458 HydrophobicContact CG2-CB 3.93Å; N458-T460 PolarHBondContact O-N 3Å; N458-T460 PolarHBondContact OD1-N 2.71Å; N458-T460 PolarHBondContact OD1-OG1 3.41Å; N458-L461 HydrophobicContact CB-CD1 3.87Å; N458-L461 HydrophobicContact CB-CG 4.05Å; N458-L461 PolarHBondContact O-N 2.98Å
459	P	90.8	Very high	93.6	Very high	12 Å²	12	24.2 Å²	24.2	8%	0.078	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.9	-175.5	30.3	-36	0	0	0	114.8	F276 T286 P358 I456	F276-P459 HydrophobicContact CB-CG 4.12Å; F276-P459 VanDerWaalsContact CD1-CD 3.46Å; F276-P459 HydrophobicContact CD1-CG 4.09Å; F276-P459 HydrophobicContact CD2-CG 3.78Å; F276-P459 HydrophobicContact CE1-CG 4.45Å; F276-P459 HydrophobicContact CE2-CG 4.15Å; F276-P459 HydrophobicContact CG-CG 3.73Å; F276-P459 HydrophobicContact CZ-CG 4.45Å; T286-P459 HydrophobicContact CG2-CG 3.78Å; P358-P459 HydrophobicContact CB-CB 3.86Å; P358-P459 HydrophobicContact CB-CG 4.07Å; P358-P459 HydrophobicContact CG-CB 4.29Å; P358-P459 HydrophobicContact CG-CG 4.46Å; I456-P459 HydrophobicContact CG2-CB 4.03Å
460	T	87.4	Confident	93.6	Very high	73 Å²	73	26.2 Å²	26.2	45%	0.448	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	5	178.1	75.5	0	0	0	0	113.4	V284 N458	V284-T460 HydrophobicContact CB-CG2 4.1Å; V284-T460 HydrophobicContact CG2-CG2 3.93Å; N458-T460 PolarHBondContact O-N 3Å; N458-T460 PolarHBondContact OD1-N 2.71Å; N458-T460 PolarHBondContact OD1-OG1 3.41Å
461	L	80.8	Confident	93.4	Very high	156 Å²	156	28 Å²	28	82%	0.817	16%	0.155	S	C	*	.			trans	-110.6	0	-176.6	-64.8	-177.8	0	0	0	112.6	N109 N458	N109-L461 PolarHBondContact ND2-O 3.42Å; N458-L461 HydrophobicContact CB-CD1 3.87Å; N458-L461 HydrophobicContact CB-CG 4.05Å; N458-L461 PolarHBondContact O-N 2.98Å

Retrieved 461 of 461 residues in 581.1 ms (Link to these results)

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