A0A090N8Z2_HUMAN Loading...

DNA-binding protein REPIN1

Sequence-specific double-stranded DNA-binding protein. Binds ATT-rich and T-rich DNA sequences and facilitates DNA bending. May regulate the expression of genes involved in cellular fatty acid import, including SCARB1/CD36, and genes involved in lipid droplet formation. May regulate the expression of LCN2, and thereby influence iron metabolism and apoptosis-related pathways. May regulate the expression of genes involved in glucose transport.

AlphaFold DB , UniProt , Accession A0A090N8Z2, Species HUMAN (Homo sapiens, Human), Gene REPIN1, Length 556 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	36.5	Very low	36	Very low	253 Å²	253	143.4 Å²	143.4	100%	1.246	82%	0.823	S	S	*	*				0	135	0	-46.6	172.1	-172.3	0	0	106.9
2	G	34.1	Very low	37.9	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	82%	0.824	S	S	*	*			cis	-124.6	160.2	-31.7	0	0	0	0	0	107.5
3	L	36	Very low	37	Very low	176 Å²	176	140.6 Å²	140.6	92%	0.921	83%	0.827	S	S	*	*				57.5	124.2	63.9	-58.4	-178.7	0	0	0	112.2
4	A	29.7	Very low	36.8	Very low	93 Å²	93	143.6 Å²	143.6	77%	0.769	83%	0.829	S	S	*	*			cis	-157.1	174.8	2.4	0	0	0	0	0	113.9
5	Q	46.7	Very low	36.1	Very low	180 Å²	180	146.7 Å²	146.7	84%	0.841	83%	0.833	S	S	*	*			trans	-90.8	-151.9	159.5	-55.5	-177.3	-13.9	0	0	108.5
6	P	60.9	Low	35.6	Very low	94 Å²	94	144.3 Å²	144.3	61%	0.61	83%	0.827	S	S	*	*			cis	-138.8	-174.4	-16.3	42.4	-24.5	0	0	0	115.1
7	R	31	Very low	36.8	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	82%	0.821	S	S	*	*				-178.6	136.3	124	-93.5	-174.8	175.1	-149.5	-4.1	108.6
8	L	33.8	Very low	36.5	Very low	133 Å²	133	143.9 Å²	143.9	70%	0.696	82%	0.82	S	S	*	*			cis	75.8	128	43.6	-64	171.5	0	0	0	112.8
9	L	31.4	Very low	36.1	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	82%	0.815	S	S	*	*			cis	-116	-148.4	2.9	-74.1	102.7	0	0	0	111
10	S	30.1	Very low	35.7	Very low	123 Å²	123	143.8 Å²	143.8	86%	0.86	82%	0.818	S	S	*	*			cis	-153.2	-175.9	17.6	-64.1	0	0	0	0	112.7
11	G	26.3	Very low	35.3	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	81%	0.812	S	S	*	*			trans	-134.3	-150.7	-170.2	0	0	0	0	0	116.3
12	P	58.5	Low	35.1	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	79%	0.788	S	S	*	*			trans	-123	178.5	-133.1	43.6	-32.9	0	0	0	116.5
13	S	26.2	Very low	34.8	Very low	123 Å²	123	140.5 Å²	140.5	86%	0.86	79%	0.79	S	S	*	*			trans	-144.8	151.9	159.7	-88.5	0	0	0	0	113.4
14	Q	34.3	Very low	34.4	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	79%	0.786	S	S	*	*			trans	-103.5	164.8	159.7	-60.9	179.7	-6	0	0	108.8
15	E	25.3	Very low	34.4	Very low	190 Å²	190	145.5 Å²	145.5	89%	0.888	80%	0.795	S	S	*	*				-177.6	174.1	127.6	-105.9	-175.2	142.4	0	0	114
16	S	29.6	Very low	33.4	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	79%	0.79	S	S	*	*			trans	-169.9	-171.9	177.5	-68.8	0	0	0	0	107.3
17	P	55.6	Low	31.8	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	80%	0.801	S	S	*	*				-105.2	-172.5	-63.3	41.2	-29.9	0	0	0	110.9
18	Q	31.2	Very low	31.6	Very low	172 Å²	172	143 Å²	143	80%	0.804	80%	0.799	S	S	*	*			trans	177.3	125.1	146	-103.6	162.7	95.3	0	0	112.8
19	T	28.7	Very low	31.4	Very low	119 Å²	119	144.5 Å²	144.5	73%	0.73	80%	0.803	S	S	*	*				74.3	163.3	97.3	63.2	0	0	0	0	117.1
20	L	28.8	Very low	31.5	Very low	166 Å²	166	145.3 Å²	145.3	87%	0.869	80%	0.802	S	S	*	*			cis	-178.9	128.1	-40.7	-164.3	173.7	0	0	0	108
21	G	27.1	Very low	31.4	Very low	66 Å²	66	142.7 Å²	142.7	68%	0.68	79%	0.794	S	S	*	*			trans	121.7	170.7	166.5	0	0	0	0	0	115.5
22	K	31.3	Very low	31.5	Very low	175 Å²	175	145.5 Å²	145.5	76%	0.761	80%	0.797	S	S	*	*			cis	-167.1	135.9	-5.5	-132.4	173.8	168.2	-100.8	0	111.2
23	E	27.5	Very low	30.1	Very low	152 Å²	152	144.8 Å²	144.8	71%	0.71	80%	0.795	S	S	*	*			trans	61.3	168.3	157.4	-63.6	169.5	94.1	0	0	116.8
24	S	27.8	Very low	30.3	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	80%	0.795	S	S	*	*			cis	-142.2	-176.4	20	-74.9	0	0	0	0	114.1
25	R	29.6	Very low	30	Very low	254 Å²	254	140.4 Å²	140.4	96%	0.958	78%	0.783	S	S	*	*			trans	-95.7	162.6	-173.9	-54.7	159.7	171.6	153.8	-6.2	113.7
26	G	25.4	Very low	30.4	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	78%	0.782	S	S	*	*			trans	146	92.4	135.2	0	0	0	0	0	123.2
27	L	27.5	Very low	30.5	Very low	161 Å²	161	140.7 Å²	140.7	84%	0.843	79%	0.785	S	S	*	*			trans	66.1	148.3	135.5	-99.8	70.4	0	0	0	125.7
28	R	27.2	Very low	29.1	Very low	221 Å²	221	139 Å²	139	83%	0.834	79%	0.787	S	S	*	*			trans	66.8	133	163.8	-67.1	-178.9	177.1	-126.5	0.3	116.8
29	Q	30	Very low	29.1	Very low	164 Å²	164	135.6 Å²	135.6	77%	0.766	79%	0.789	S	S	*	*			cis	68.7	129.6	45.3	-64.8	-166.8	24.9	0	0	113.7
30	Q	33.4	Very low	29.3	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	80%	0.799	S	S	*	*			cis	-159.1	169.5	-4.6	-100.7	178.3	97.3	0	0	107.1
31	G	28.2	Very low	29.5	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	80%	0.795	S	S	*	*			cis	142.8	117.6	-0.6	0	0	0	0	0	112
32	T	28.8	Very low	30.2	Very low	132 Å²	132	139 Å²	139	81%	0.81	80%	0.801	S	S	*	*			trans	-136.3	131.2	-173.4	47.5	0	0	0	0	114.8
33	S	27.5	Very low	30.8	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	80%	0.802	S	S	*	*			trans	29.1	148.9	143.9	48.4	0	0	0	0	121.7
34	V	30.3	Very low	31.8	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	81%	0.808	S	S	*	*			cis	-142	167	47.3	169.2	0	0	0	0	113.1
35	A	28.5	Very low	33.1	Very low	71 Å²	71	134.4 Å²	134.4	59%	0.587	79%	0.789	S	S	*	*			trans	-72.8	150.4	-173.3	0	0	0	0	0	114.5
36	Q	33.4	Very low	34.8	Very low	187 Å²	187	124.5 Å²	124.5	87%	0.874	75%	0.754	S	S	*	*				63	142.6	102.1	-65.7	-174.8	14.2	0	0	116.9
37	S	32	Very low	36.6	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	74%	0.743	S	S	*	*			cis	-162.1	160.7	-11.4	55	0	0	0	0	111.3
38	G	27.5	Very low	38.3	Very low	74 Å²	74	120 Å²	120	76%	0.763	70%	0.704	S	S	*	*			trans	172.1	137.4	170.7	0	0	0	0	0	113.9
39	A	29.9	Very low	39.7	Very low	101 Å²	101	113.5 Å²	113.5	84%	0.835	70%	0.697	S	S	*	*	S	Bend	trans	57.7	78.4	167.9	0	0	0	0	0	119.3
40	Q	32.6	Very low	41	Very low	201 Å²	201	111.1 Å²	111.1	94%	0.939	69%	0.686	S	S	*	*			trans	50.2	134	133.3	-62.7	176.6	-0.3	0	0	121.5
41	A	34.6	Very low	42.5	Very low	96 Å²	96	105.5 Å²	105.5	79%	0.793	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-83.2	152.8	-165.3	0	0	0	0	0	116.6
42	P	41.7	Very low	44.1	Very low	125 Å²	125	111 Å²	111	81%	0.812	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-77.2	124.6	177.8	30.6	-34.8	0	0	0	113.1
43	G	42.8	Very low	45.7	Very low	74 Å²	74	113.2 Å²	113.2	76%	0.763	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.1	134.3	174.6	0	0	0	0	0	113.2	A45	G43-A45 PolarHBondContact O-N 3.05Å
44	R	49.6	Very low	47.7	Very low	223 Å²	223	113 Å²	113	84%	0.842	65%	0.645	S	S	*	*			trans	-63.5	102.5	-178	-70	-174.4	176.4	-163.3	-0.3	111.6	H46	R44-H46 PolarHBondContact O-CD2 2.7Å; R44-H46 PolarHBondContact O-N 2.74Å; R44-H46 PolarHBondContact O-NE2 2.71Å
45	A	54.2	Low	49.6	Very low	55 Å²	55	108 Å²	108	46%	0.455	61%	0.612	S	S	.	*			trans	-68.4	98.1	-178.1	0	0	0	0	0	112.9	G43 R47 H54	G43-A45 PolarHBondContact O-N 3.05Å; A45-R47 PolarHBondContact O-N 2.86Å; A45-H54 HydrophobicContact CB-CB 4.31Å; A45-H54 PolarHBondContact O-ND1 3.33Å
46	H	66.3	Low	50.9	Low	46 Å²	46	110.7 Å²	110.7	21%	0.213	62%	0.624	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.1	124	-173.5	-56.7	-84.6	0	0	0	112.5	R44 H54 F55 W58 L61	R44-H46 PolarHBondContact O-CD2 2.7Å; R44-H46 PolarHBondContact O-N 2.74Å; R44-H46 PolarHBondContact O-NE2 2.71Å; H46-H54 CarbonylContact O-C 3.58Å; H46-H54 WeakPolarHBondContact O-CA 3.29Å; H46-F55 PolarHBondContact N-O 2.81Å; H46-F55 PolarHBondContact O-N 3.31Å; H46-W58 AromaticContact CE1-CD1 3.4Å; H46-W58 VanDerWaalsContact CE1-CD1 3.4Å; H46-W58 AromaticContact CE1-CE2 3.56Å; H46-W58 AromaticContact CE1-NE1 3.1Å; H46-W58 PolarHBondContact CE1-NE1 3.36Å; H46-W58 AromaticContact ND1-CD1 3.88Å; H46-W58 AromaticContact ND1-CD2 3.81Å; H46-W58 AromaticContact ND1-CE2 3.37Å; H46-W58 AromaticContact ND1-CZ2 3.74Å; H46-W58 AromaticContact ND1-NE1 3.45Å; H46-W58 PolarHBondContact ND1-NE1 3.04Å; H46-W58 AromaticContact NE2-CD1 3.69Å; H46-W58 AromaticContact NE2-NE1 3.86Å; H46-L61 HydrophobicContact CB-CB 4.49Å; H46-L61 HydrophobicContact CB-CD2 3.72Å
47	R	61.7	Low	52.7	Low	135 Å²	135	102.9 Å²	102.9	51%	0.509	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	130.5	-174.9	-160.1	179.9	80.1	-166.6	-0.4	112.3	A45 A49 R52 H54	A45-R47 PolarHBondContact O-N 2.86Å; R47-A49 PolarHBondContact O-N 2.95Å; R47-R52 WeakPolarHBondContact CD-O 3.16Å; R47-R52 VanDerWaalsContact CG-O 3.24Å; R47-R52 WeakPolarHBondContact CG-O 3.36Å; R47-H54 WeakPolarHBondContact CD-NE2 3.3Å
48	C	63	Low	54.2	Low	2 Å²	2	105.8 Å²	105.8	1%	0.014	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-69	122.1	171.4	-178.3	0	0	0	0	111.1	H50 C51 R52 R53 F55 L61	C48-H50 VanDerWaalsContact C-N 3.29Å; C48-H50 PolarHBondContact O-N 3.37Å; C48-C51 VanDerWaalsContact CB-SG 3.51Å; C48-C51 VanDerWaalsContact SG-SG 3.63Å; C48-R52 WeakPolarHBondContact O-CA 3.44Å; C48-R52 PolarHBondContact O-N 3.4Å; C48-R53 PolarHBondContact N-O 3.47Å; C48-F55 HydrophobicContact CB-CE2 4.13Å; C48-L61 HydrophobicContact CB-CD1 3.56Å
49	A	57.5	Low	56.2	Low	85 Å²	85	107.4 Å²	107.4	70%	0.702	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-37.6	-179.8	0	0	0	0	0	113.3	R47	R47-A49 PolarHBondContact O-N 2.95Å
50	H	57.3	Low	57.9	Low	114 Å²	114	104.6 Å²	104.6	53%	0.528	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-39.1	-175.7	-81.2	32.4	0	0	0	114.5	C48	C48-H50 VanDerWaalsContact C-N 3.29Å; C48-H50 PolarHBondContact O-N 3.37Å
51	C	64.8	Low	59.6	Low	56 Å²	56	95.6 Å²	95.6	38%	0.378	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.5	-175.3	73.7	0	0	0	0	114.2	C48 R53 H64	C48-C51 VanDerWaalsContact CB-SG 3.51Å; C48-C51 VanDerWaalsContact SG-SG 3.63Å; C51-R53 PolarHBondContact O-N 2.85Å; C51-H64 PolarHBondContact SG-NE2 2.82Å
52	R	62	Low	61.3	Low	182 Å²	182	97.4 Å²	97.4	69%	0.687	50%	0.502	S	S	*	.			trans	54.1	10.3	-175.9	-60.3	-172.9	179.4	-170.1	0.2	115.9	R47 C48	R47-R52 WeakPolarHBondContact CD-O 3.16Å; R47-R52 VanDerWaalsContact CG-O 3.24Å; R47-R52 WeakPolarHBondContact CG-O 3.36Å; C48-R52 WeakPolarHBondContact O-CA 3.44Å; C48-R52 PolarHBondContact O-N 3.4Å
53	R	63	Low	62.5	Low	178 Å²	178	96.6 Å²	96.6	67%	0.672	49%	0.49	S	S	*	.			trans	-76.9	137.8	176.1	-156.5	170.6	-167.2	163.4	3.3	110.7	C48 C51 F55	C48-R53 PolarHBondContact N-O 3.47Å; C51-R53 PolarHBondContact O-N 2.85Å; R53-F55 HydrophobicContact CB-CE2 3.96Å; R53-F55 HydrophobicContact CB-CZ 4.18Å; R53-F55 HydrophobicContact CG-CE2 4.36Å; R53-F55 HydrophobicContact CG-CZ 4.23Å; R53-F55 WeakPolarHBondContact O-CD2 3.34Å; R53-F55 WeakPolarHBondContact O-CE2 3.36Å
54	H	69.5	Low	63.8	Low	109 Å²	109	95.6 Å²	95.6	51%	0.505	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.2	176.7	-71.2	-101.9	0	0	0	111.7	A45 H46 R47	A45-H54 HydrophobicContact CB-CB 4.31Å; A45-H54 PolarHBondContact O-ND1 3.33Å; H46-H54 CarbonylContact O-C 3.58Å; H46-H54 WeakPolarHBondContact O-CA 3.29Å; R47-H54 WeakPolarHBondContact CD-NE2 3.3Å
55	F	70.6	Confident	64.3	Low	36 Å²	36	86.8 Å²	86.8	16%	0.158	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.5	-180	-65	-84.4	0	0	0	110.5	H46 C48 R53 G57 A60 L61 H64	H46-F55 PolarHBondContact N-O 2.81Å; H46-F55 PolarHBondContact O-N 3.31Å; C48-F55 HydrophobicContact CB-CE2 4.13Å; R53-F55 HydrophobicContact CB-CE2 3.96Å; R53-F55 HydrophobicContact CB-CZ 4.18Å; R53-F55 HydrophobicContact CG-CE2 4.36Å; R53-F55 HydrophobicContact CG-CZ 4.23Å; R53-F55 WeakPolarHBondContact O-CD2 3.34Å; R53-F55 WeakPolarHBondContact O-CE2 3.36Å; F55-G57 PolarHBondContact O-N 2.83Å; F55-A60 HydrophobicContact CB-CB 4.26Å; F55-A60 HydrophobicContact CD1-CB 4.45Å; F55-L61 HydrophobicContact CB-CB 4.34Å; F55-L61 HydrophobicContact CD2-CB 4.49Å; F55-L61 HydrophobicContact CD2-CD1 4Å; F55-L61 HydrophobicContact CE2-CD1 4.44Å; F55-H64 HydrophobicContact CE1-CB 4.14Å; F55-H64 HydrophobicContact CE2-CB 4.08Å; F55-H64 AromaticContact CE2-CD2 3.61Å; F55-H64 AromaticContact CE2-CG 3.74Å; F55-H64 HydrophobicContact CZ-CB 3.79Å; F55-H64 AromaticContact CZ-CD2 3.52Å; F55-H64 AromaticContact CZ-CE1 3.84Å; F55-H64 AromaticContact CZ-CG 3.3Å; F55-H64 AromaticContact CZ-ND1 3.52Å; F55-H64 AromaticContact CZ-NE2 3.85Å
56	P	54.2	Low	64.5	Low	129 Å²	129	91.8 Å²	91.8	84%	0.838	44%	0.444	S	S	*	.	S	Bend	trans	-76.2	1.9	-173.7	31.4	-37	0	0	0	114.9
57	G	71.1	Confident	63.8	Low	22 Å²	22	98.5 Å²	98.5	23%	0.227	47%	0.467	C	S	.	.	S	Bend	trans	-175.3	158	179.9	0	0	0	0	0	113.2	F55 V59 A60 L61	F55-G57 PolarHBondContact O-N 2.83Å; G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.28Å; G57-A60 PolarHBondContact O-N 3.37Å; G57-L61 PolarHBondContact O-N 2.81Å
58	W	64.8	Low	63.3	Low	178 Å²	178	93 Å²	93	67%	0.674	45%	0.45	S	S	*	.	H	α-helix	trans	-57.5	-37.4	-178.6	-82.4	115.6	0	0	0	113.9	H46 L61 W62	H46-W58 AromaticContact CE1-CD1 3.4Å; H46-W58 VanDerWaalsContact CE1-CD1 3.4Å; H46-W58 AromaticContact CE1-CE2 3.56Å; H46-W58 AromaticContact CE1-NE1 3.1Å; H46-W58 PolarHBondContact CE1-NE1 3.36Å; H46-W58 AromaticContact ND1-CD1 3.88Å; H46-W58 AromaticContact ND1-CD2 3.81Å; H46-W58 AromaticContact ND1-CE2 3.37Å; H46-W58 AromaticContact ND1-CZ2 3.74Å; H46-W58 AromaticContact ND1-NE1 3.45Å; H46-W58 PolarHBondContact ND1-NE1 3.04Å; H46-W58 AromaticContact NE2-CD1 3.69Å; H46-W58 AromaticContact NE2-NE1 3.86Å; W58-L61 HydrophobicContact CE3-CD2 3.78Å; W58-L61 HydrophobicContact CZ3-CD2 3.7Å; W58-L61 CarbonylContact O-C 3.17Å; W58-L61 PolarHBondContact O-N 3.17Å; W58-W62 WeakPolarHBondContact O-CB 3.35Å; W58-W62 PolarHBondContact O-N 3.45Å
59	V	68.8	Low	62.7	Low	109 Å²	109	98.4 Å²	98.4	66%	0.661	48%	0.475	S	S	*	.	H	α-helix	trans	-63.9	-44.5	179.1	-178.5	0	0	0	0	111.5	G57 L61 W62 L63	G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.28Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.92Å; V59-W62 PolarHBondContact O-N 2.91Å; V59-L63 HydrophobicContact CG1-CD1 4.31Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 2.97Å
60	A	66.8	Low	62.2	Low	42 Å²	42	98.1 Å²	98.1	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-64.7	-38.1	175.5	0	0	0	0	0	111.6	F55 G57 H64	F55-A60 HydrophobicContact CB-CB 4.26Å; F55-A60 HydrophobicContact CD1-CB 4.45Å; G57-A60 PolarHBondContact O-N 3.37Å; A60-H64 WeakPolarHBondContact O-CB 3.5Å; A60-H64 PolarHBondContact O-N 2.97Å; A60-H64 VanDerWaalsContact O-N 3.12Å
61	L	68.3	Low	61.8	Low	11 Å²	11	100 Å²	100	6%	0.058	48%	0.475	C	S	.	.	H	α-helix	trans	-65.2	-41.9	172.8	175	57.8	0	0	0	112.1	H46 C48 F55 G57 W58 V59 H64 T65	H46-L61 HydrophobicContact CB-CB 4.49Å; H46-L61 HydrophobicContact CB-CD2 3.72Å; C48-L61 HydrophobicContact CB-CD1 3.56Å; F55-L61 HydrophobicContact CB-CB 4.34Å; F55-L61 HydrophobicContact CD2-CB 4.49Å; F55-L61 HydrophobicContact CD2-CD1 4Å; F55-L61 HydrophobicContact CE2-CD1 4.44Å; G57-L61 PolarHBondContact O-N 2.81Å; W58-L61 HydrophobicContact CE3-CD2 3.78Å; W58-L61 HydrophobicContact CZ3-CD2 3.7Å; W58-L61 CarbonylContact O-C 3.17Å; W58-L61 PolarHBondContact O-N 3.17Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.92Å; L61-H64 CarbonylContact O-C 2.94Å; L61-H64 WeakPolarHBondContact O-CA 3.21Å; L61-H64 WeakPolarHBondContact O-CB 3.38Å; L61-H64 PolarHBondContact O-N 3.36Å; L61-T65 HydrophobicContact CD1-CG2 3.8Å; L61-T65 HydrophobicContact CG-CG2 4.33Å; L61-T65 PolarHBondContact O-N 3.35Å; L61-T65 PolarHBondContact O-OG1 3.12Å
62	W	68.3	Low	61	Low	135 Å²	135	102.2 Å²	102.2	51%	0.511	48%	0.482	S	S	.	.	H	α-helix	trans	-67.8	-44.4	-177.8	-175.8	93.5	0	0	0	112.7	W58 V59 H64 T65 R66	W58-W62 WeakPolarHBondContact O-CB 3.35Å; W58-W62 PolarHBondContact O-N 3.45Å; V59-W62 PolarHBondContact O-N 2.91Å; W62-H64 PolarHBondContact O-N 3.29Å; W62-T65 WeakPolarHBondContact CA-OG1 3.28Å; W62-T65 PolarHBondContact O-N 2.93Å; W62-T65 PolarHBondContact O-OG1 3.5Å; W62-T65 VanDerWaalsContact O-OG1 3.1Å; W62-R66 VanDerWaalsContact CZ2-CZ 3.46Å; W62-R66 VanDerWaalsContact CZ2-NE 3.29Å; W62-R66 PolarHBondContact O-N 2.73Å
63	L	67.5	Low	60.7	Low	107 Å²	107	95.1 Å²	95.1	56%	0.56	46%	0.46	S	S	*	.	H	α-helix	trans	-61.1	-34.6	170.8	-69.7	172.2	0	0	0	111.3	V59 R67	V59-L63 HydrophobicContact CG1-CD1 4.31Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 2.97Å; L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 PolarHBondContact O-N 2.94Å
64	H	70.8	Confident	60.5	Low	54 Å²	54	90.3 Å²	90.3	25%	0.25	45%	0.447	C	S	.	.	H	α-helix	trans	-72.3	-43.9	174.1	-168.2	76.5	0	0	0	113.1	C51 F55 A60 L61 W62 R67 C68	C51-H64 PolarHBondContact SG-NE2 2.82Å; F55-H64 HydrophobicContact CE1-CB 4.14Å; F55-H64 HydrophobicContact CE2-CB 4.08Å; F55-H64 AromaticContact CE2-CD2 3.61Å; F55-H64 AromaticContact CE2-CG 3.74Å; F55-H64 HydrophobicContact CZ-CB 3.79Å; F55-H64 AromaticContact CZ-CD2 3.52Å; F55-H64 AromaticContact CZ-CE1 3.84Å; F55-H64 AromaticContact CZ-CG 3.3Å; F55-H64 AromaticContact CZ-ND1 3.52Å; F55-H64 AromaticContact CZ-NE2 3.85Å; A60-H64 WeakPolarHBondContact O-CB 3.5Å; A60-H64 PolarHBondContact O-N 2.97Å; A60-H64 VanDerWaalsContact O-N 3.12Å; L61-H64 CarbonylContact O-C 2.94Å; L61-H64 WeakPolarHBondContact O-CA 3.21Å; L61-H64 WeakPolarHBondContact O-CB 3.38Å; L61-H64 PolarHBondContact O-N 3.36Å; W62-H64 PolarHBondContact O-N 3.29Å; H64-R67 CarbonylContact O-C 3.56Å; H64-R67 PolarHBondContact O-N 2.9Å; H64-C68 WeakPolarHBondContact O-CB 3.25Å; H64-C68 PolarHBondContact O-N 2.86Å
65	T	60.3	Low	59.8	Low	38 Å²	38	88.6 Å²	88.6	23%	0.233	45%	0.445	C	S	.	.	H	α-helix	trans	-66.5	-43.4	-178.3	46.3	0	0	0	0	111.6	L61 W62 R67 C68 Q69	L61-T65 HydrophobicContact CD1-CG2 3.8Å; L61-T65 HydrophobicContact CG-CG2 4.33Å; L61-T65 PolarHBondContact O-N 3.35Å; L61-T65 PolarHBondContact O-OG1 3.12Å; W62-T65 WeakPolarHBondContact CA-OG1 3.28Å; W62-T65 PolarHBondContact O-N 2.93Å; W62-T65 PolarHBondContact O-OG1 3.5Å; W62-T65 VanDerWaalsContact O-OG1 3.1Å; T65-R67 VanDerWaalsContact C-N 3.26Å; T65-R67 PolarHBondContact O-N 2.82Å; T65-C68 CarbonylContact O-C 3.56Å; T65-C68 PolarHBondContact O-N 3.25Å; T65-Q69 WeakPolarHBondContact O-CB 3.47Å; T65-Q69 WeakPolarHBondContact O-CG 3.13Å; T65-Q69 PolarHBondContact O-N 3.24Å
66	R	56.9	Low	59.3	Low	160 Å²	160	86.9 Å²	86.9	60%	0.604	44%	0.438	S	S	*	.	H	α-helix	trans	-54.7	-43.4	171	-81	-170.9	162.6	-157.3	-2.8	111.6	W62 C68 A70	W62-R66 VanDerWaalsContact CZ2-CZ 3.46Å; W62-R66 VanDerWaalsContact CZ2-NE 3.29Å; W62-R66 PolarHBondContact O-N 2.73Å; R66-C68 VanDerWaalsContact C-N 3.31Å; R66-C68 PolarHBondContact O-N 3.49Å; R66-A70 PolarHBondContact O-N 2.8Å
67	R	52.6	Low	59.4	Low	186 Å²	186	85.1 Å²	85.1	70%	0.702	43%	0.427	S	S	*	.	H	α-helix	trans	-78.3	-9	178.3	-154.6	171.1	-170.6	176.4	4	114.5	L63 H64 T65 R71	L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 PolarHBondContact O-N 2.94Å; H64-R67 CarbonylContact O-C 3.56Å; H64-R67 PolarHBondContact O-N 2.9Å; T65-R67 VanDerWaalsContact C-N 3.26Å; T65-R67 PolarHBondContact O-N 2.82Å; R67-R71 WeakPolarHBondContact O-CD 3.37Å
68	C	51.1	Low	58.8	Low	21 Å²	21	88.9 Å²	88.9	14%	0.142	44%	0.438	C	S	.	.	H	α-helix	trans	-103.4	-33.9	179.5	-169.4	0	0	0	0	112.3	H64 T65 R66 A70 R71	H64-C68 WeakPolarHBondContact O-CB 3.25Å; H64-C68 PolarHBondContact O-N 2.86Å; T65-C68 CarbonylContact O-C 3.56Å; T65-C68 PolarHBondContact O-N 3.25Å; R66-C68 VanDerWaalsContact C-N 3.31Å; R66-C68 PolarHBondContact O-N 3.49Å; C68-A70 VanDerWaalsContact C-N 3.32Å; C68-R71 WeakPolarHBondContact O-CB 3.47Å; C68-R71 PolarHBondContact O-N 3.25Å; C68-R71 VanDerWaalsContact O-N 3.16Å
69	Q	51	Low	58.8	Low	115 Å²	115	82.5 Å²	82.5	54%	0.537	42%	0.42	S	S	.	.	H	α-helix	trans	-62.4	-42.6	169.2	-74.2	167.9	-36.6	0	0	109.9	T65 R71 L72	T65-Q69 WeakPolarHBondContact O-CB 3.47Å; T65-Q69 WeakPolarHBondContact O-CG 3.13Å; T65-Q69 PolarHBondContact O-N 3.24Å; Q69-R71 PolarHBondContact O-N 3.35Å; Q69-L72 PolarHBondContact O-N 3.28Å
70	A	46.2	Very low	58.2	Low	78 Å²	78	79.8 Å²	79.8	65%	0.645	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	18.9	170.1	0	0	0	0	0	115.2	R66 C68	R66-A70 PolarHBondContact O-N 2.8Å; C68-A70 VanDerWaalsContact C-N 3.32Å
71	R	49.4	Very low	57.6	Low	155 Å²	155	86 Å²	86	59%	0.585	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	7.7	177.2	-70.8	-177.9	165.7	-167.4	-3.3	114.1	R67 C68 Q69 P73	R67-R71 WeakPolarHBondContact O-CD 3.37Å; C68-R71 WeakPolarHBondContact O-CB 3.47Å; C68-R71 PolarHBondContact O-N 3.25Å; C68-R71 VanDerWaalsContact O-N 3.16Å; Q69-R71 PolarHBondContact O-N 3.35Å; R71-P73 WeakPolarHBondContact O-CD 3.15Å
72	L	48.8	Very low	56.9	Low	102 Å²	102	93.9 Å²	93.9	53%	0.534	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.8	121	167	-79.3	164.5	0	0	0	109.5	Q69	Q69-L72 PolarHBondContact O-N 3.28Å
73	P	55.5	Low	56.2	Low	33 Å²	33	89.6 Å²	89.6	21%	0.214	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-80.6	129.7	-178.9	-5.7	22.6	0	0	0	111	R71 R82 F83 R84	R71-P73 WeakPolarHBondContact O-CD 3.15Å; P73-R82 HydrophobicContact CB-CB 3.82Å; P73-R82 HydrophobicContact CB-CG 4.25Å; P73-R82 HydrophobicContact CG-CB 4.39Å; P73-F83 CarbonylContact C-O 3.54Å; P73-F83 VanDerWaalsContact CA-O 3.25Å; P73-F83 WeakPolarHBondContact CA-O 3.48Å; P73-R84 HydrophobicContact CB-CG 4.15Å; P73-R84 HydrophobicContact CG-CG 4.17Å
74	L	58.8	Low	55.2	Low	76 Å²	76	92.7 Å²	92.7	40%	0.398	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124.4	175.8	-57.8	168.4	0	0	0	109.9	F83 A86 L89	L74-F83 PolarHBondContact N-O 3.36Å; L74-F83 PolarHBondContact O-N 3.1Å; L74-A86 HydrophobicContact CD1-CB 3.81Å; L74-L89 HydrophobicContact CB-CD2 3.63Å; L74-L89 HydrophobicContact CD1-CD2 4.3Å
75	P	53.8	Low	54.4	Low	73 Å²	73	95.4 Å²	95.4	47%	0.474	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.4	174.6	31.4	-33.2	0	0	0	111.2	R81 R82	P75-R81 CarbonylContact C-O 3.57Å; P75-R81 WeakPolarHBondContact CA-O 3.39Å; P75-R82 HydrophobicContact CB-CG 4.24Å
76	C	59.6	Low	53.9	Low	0 Å²	0	96.3 Å²	96.3	0%	0	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-80.2	125.8	161.5	174.2	0	0	0	0	108.6	E78 C79 G80 R81 F83 L89 H96	C76-E78 VanDerWaalsContact C-N 3.33Å; C76-E78 PolarHBondContact O-N 2.82Å; C76-C79 VanDerWaalsContact SG-SG 3.64Å; C76-G80 VanDerWaalsContact O-CA 3.3Å; C76-G80 WeakPolarHBondContact O-CA 3.43Å; C76-G80 PolarHBondContact O-N 3.48Å; C76-R81 PolarHBondContact N-O 2.91Å; C76-F83 HydrophobicContact CB-CE2 4.17Å; C76-L89 HydrophobicContact CB-CD1 3.6Å; C76-H96 PolarHBondContact SG-NE2 2.72Å
77	P	58.1	Low	53.7	Low	93 Å²	93	93.2 Å²	93.2	60%	0.604	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.1	-177.7	27.5	-33.8	0	0	0	112	C79	P77-C79 VanDerWaalsContact C-N 3.28Å; P77-C79 PolarHBondContact O-N 3.43Å
78	E	57.8	Low	53.5	Low	100 Å²	100	88.3 Å²	88.3	47%	0.467	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.3	-176.2	-57	122.6	-100	0	0	114.1	C76 R93 H96	C76-E78 VanDerWaalsContact C-N 3.33Å; C76-E78 PolarHBondContact O-N 2.82Å; E78-R93 IonicContact OE1-NE 3.44Å; E78-R93 PolarHBondContact OE1-NE 2.78Å; E78-H96 WeakPolarHBondContact OE2-CB 3.49Å; E78-H96 IonicContact OE2-CD2 3.09Å; E78-H96 PolarHBondContact OE2-CD2 3.43Å; E78-H96 IonicContact OE2-CG 3.45Å
79	C	63.7	Low	54.1	Low	44 Å²	44	88 Å²	88	30%	0.297	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.5	8	-174.3	73.9	0	0	0	0	115.8	C76 P77 R81 H92 H96	C76-C79 VanDerWaalsContact SG-SG 3.64Å; P77-C79 VanDerWaalsContact C-N 3.28Å; P77-C79 PolarHBondContact O-N 3.43Å; C79-R81 PolarHBondContact O-N 2.89Å; C79-H92 PolarHBondContact SG-NE2 3.26Å; C79-H96 WeakPolarHBondContact CB-CE1 3.4Å; C79-H96 PolarHBondContact SG-NE2 2.92Å
80	G	57.2	Low	54.4	Low	52 Å²	52	85.2 Å²	85.2	54%	0.536	45%	0.449	S	S	.	.			trans	65.7	-7.2	-179.9	0	0	0	0	0	116.5	C76	C76-G80 VanDerWaalsContact O-CA 3.3Å; C76-G80 WeakPolarHBondContact O-CA 3.43Å; C76-G80 PolarHBondContact O-N 3.48Å
81	R	54	Low	54.8	Low	173 Å²	173	85 Å²	85	65%	0.653	44%	0.436	S	S	*	.			trans	-67.3	141.1	-174	-68.8	-175.7	176.8	-149.5	-1.3	111.7	P75 C76 C79 F83	P75-R81 CarbonylContact C-O 3.57Å; P75-R81 WeakPolarHBondContact CA-O 3.39Å; C76-R81 PolarHBondContact N-O 2.91Å; C79-R81 PolarHBondContact O-N 2.89Å; R81-F83 HydrophobicContact CB-CE2 3.56Å; R81-F83 HydrophobicContact CB-CZ 3.95Å; R81-F83 VanDerWaalsContact O-CD2 3.26Å; R81-F83 WeakPolarHBondContact O-CD2 3.48Å; R81-F83 VanDerWaalsContact O-CE2 3.29Å; R81-F83 WeakPolarHBondContact O-CE2 3.47Å
82	R	53.7	Low	55.4	Low	176 Å²	176	79 Å²	79	66%	0.664	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.6	-163.9	-101.5	-176.5	172.2	-164.5	-3.7	112.9	P73 P75	P73-R82 HydrophobicContact CB-CB 3.82Å; P73-R82 HydrophobicContact CB-CG 4.25Å; P73-R82 HydrophobicContact CG-CB 4.39Å; P75-R82 HydrophobicContact CB-CG 4.24Å
83	F	54.4	Low	56	Low	45 Å²	45	79.8 Å²	79.8	20%	0.197	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	-168.6	-65	-90.9	0	0	0	113.1	P73 L74 C76 R81 H85 F88 L89 H92	P73-F83 CarbonylContact C-O 3.54Å; P73-F83 VanDerWaalsContact CA-O 3.25Å; P73-F83 WeakPolarHBondContact CA-O 3.48Å; L74-F83 PolarHBondContact N-O 3.36Å; L74-F83 PolarHBondContact O-N 3.1Å; C76-F83 HydrophobicContact CB-CE2 4.17Å; R81-F83 HydrophobicContact CB-CE2 3.56Å; R81-F83 HydrophobicContact CB-CZ 3.95Å; R81-F83 VanDerWaalsContact O-CD2 3.26Å; R81-F83 WeakPolarHBondContact O-CD2 3.48Å; R81-F83 VanDerWaalsContact O-CE2 3.29Å; R81-F83 WeakPolarHBondContact O-CE2 3.47Å; F83-H85 VanDerWaalsContact C-N 3.3Å; F83-H85 PolarHBondContact O-N 3.43Å; F83-F88 HydrophobicContact CD1-CB 4.32Å; F83-L89 HydrophobicContact CB-CB 4.2Å; F83-L89 HydrophobicContact CD2-CD1 4.05Å; F83-H92 HydrophobicContact CE1-CB 4.04Å; F83-H92 HydrophobicContact CE2-CB 4.3Å; F83-H92 AromaticContact CE2-CD2 3.15Å; F83-H92 WeakPolarHBondContact CE2-CD2 3.31Å; F83-H92 AromaticContact CE2-CG 3.87Å; F83-H92 AromaticContact CE2-NE2 3.81Å; F83-H92 HydrophobicContact CZ-CB 3.89Å; F83-H92 AromaticContact CZ-CD2 3.1Å; F83-H92 WeakPolarHBondContact CZ-CD2 3.42Å; F83-H92 AromaticContact CZ-CG 3.42Å; F83-H92 VanDerWaalsContact CZ-CG 3.42Å; F83-H92 AromaticContact CZ-NE2 3.63Å
84	R	45.2	Very low	56.1	Low	172 Å²	172	84.1 Å²	84.1	65%	0.649	43%	0.428	S	S	*	.	S	Bend	trans	-73.5	-8.7	-170.8	-70.8	-173.8	-179.8	-177.7	0.9	116.3	P73	P73-R84 HydrophobicContact CB-CG 4.15Å; P73-R84 HydrophobicContact CG-CG 4.17Å
85	H	54.1	Low	55.9	Low	111 Å²	111	84.5 Å²	84.5	51%	0.514	43%	0.433	S	S	.	.	S	Bend	trans	-148.1	143.1	176.9	-48.4	-80.8	0	0	0	110.7	F83 F88 L89	F83-H85 VanDerWaalsContact C-N 3.3Å; F83-H85 PolarHBondContact O-N 3.43Å; H85-F88 HydrophobicContact CB-CD2 3.96Å; H85-F88 HydrophobicContact CB-CE2 4.45Å; H85-F88 AromaticContact CD2-CD2 3.88Å; H85-F88 AromaticContact CD2-CE2 3.87Å; H85-F88 PolarHBondContact O-N 3.07Å; H85-F88 VanDerWaalsContact O-N 3.09Å; H85-L89 PolarHBondContact O-N 2.95Å
86	A	50.3	Low	56.2	Low	58 Å²	58	85.3 Å²	85.3	48%	0.479	43%	0.431	S	S	.	.	H	α-helix	trans	-54.5	-41	-177.5	0	0	0	0	0	115	L74 F88 L89 A90	L74-A86 HydrophobicContact CD1-CB 3.81Å; A86-F88 PolarHBondContact O-N 2.99Å; A86-L89 PolarHBondContact O-N 3.49Å; A86-A90 PolarHBondContact O-N 3.31Å
87	P	52.9	Low	56	Low	94 Å²	94	89.4 Å²	89.4	61%	0.61	47%	0.465	S	S	*	.	H	α-helix	trans	-60.7	-30.6	177.7	-26.1	36.3	0	0	0	113.9	L91	P87-L91 VanDerWaalsContact O-CB 3.25Å; P87-L91 WeakPolarHBondContact O-CB 3.26Å; P87-L91 PolarHBondContact O-N 3Å
88	F	48.1	Very low	55.7	Low	83 Å²	83	88 Å²	88	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-78.4	-24.4	175.6	-64.1	-59.8	0	0	0	113	F83 H85 A86 H92	F83-F88 HydrophobicContact CD1-CB 4.32Å; H85-F88 HydrophobicContact CB-CD2 3.96Å; H85-F88 HydrophobicContact CB-CE2 4.45Å; H85-F88 AromaticContact CD2-CD2 3.88Å; H85-F88 AromaticContact CD2-CE2 3.87Å; H85-F88 PolarHBondContact O-N 3.07Å; H85-F88 VanDerWaalsContact O-N 3.09Å; A86-F88 PolarHBondContact O-N 2.99Å; F88-H92 VanDerWaalsContact O-CB 3.24Å; F88-H92 WeakPolarHBondContact O-CB 3.4Å; F88-H92 PolarHBondContact O-N 3.28Å; F88-H92 VanDerWaalsContact O-N 3.08Å
89	L	64.6	Low	55	Low	16 Å²	16	87.7 Å²	87.7	8%	0.084	48%	0.475	C	S	.	.	H	α-helix	trans	-76	-43.6	170.9	176.1	57.3	0	0	0	111.1	L74 C76 F83 H85 A86 H92 R93	L74-L89 HydrophobicContact CB-CD2 3.63Å; L74-L89 HydrophobicContact CD1-CD2 4.3Å; C76-L89 HydrophobicContact CB-CD1 3.6Å; F83-L89 HydrophobicContact CB-CB 4.2Å; F83-L89 HydrophobicContact CD2-CD1 4.05Å; H85-L89 PolarHBondContact O-N 2.95Å; A86-L89 PolarHBondContact O-N 3.49Å; L89-H92 PolarHBondContact O-N 2.85Å; L89-H92 VanDerWaalsContact O-N 3.11Å; L89-R93 PolarHBondContact O-N 3.47Å
90	A	56.3	Low	53.8	Low	55 Å²	55	91.2 Å²	91.2	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-48.5	174.8	0	0	0	0	0	111.4	A86 H92 R93 Q94	A86-A90 PolarHBondContact O-N 3.31Å; A90-H92 VanDerWaalsContact C-N 3.27Å; A90-H92 PolarHBondContact O-N 2.78Å; A90-R93 PolarHBondContact O-N 3.19Å; A90-Q94 PolarHBondContact O-N 3.25Å
91	L	54.7	Low	53.3	Low	73 Å²	73	95.2 Å²	95.2	38%	0.382	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-25.7	174.8	-175.1	61.3	0	0	0	113	P87 Q94	P87-L91 VanDerWaalsContact O-CB 3.25Å; P87-L91 WeakPolarHBondContact O-CB 3.26Å; P87-L91 PolarHBondContact O-N 3Å; L91-Q94 VanDerWaalsContact CD1-OE1 3.32Å
92	H	61	Low	52.8	Low	31 Å²	31	94.3 Å²	94.3	14%	0.144	52%	0.521	C	S	.	.	H	α-helix	trans	-74.9	-38.4	173.6	179.8	39.1	0	0	0	112.5	C79 F83 F88 L89 A90 Q94 V95 H96	C79-H92 PolarHBondContact SG-NE2 3.26Å; F83-H92 HydrophobicContact CE1-CB 4.04Å; F83-H92 HydrophobicContact CE2-CB 4.3Å; F83-H92 AromaticContact CE2-CD2 3.15Å; F83-H92 WeakPolarHBondContact CE2-CD2 3.31Å; F83-H92 AromaticContact CE2-CG 3.87Å; F83-H92 AromaticContact CE2-NE2 3.81Å; F83-H92 HydrophobicContact CZ-CB 3.89Å; F83-H92 AromaticContact CZ-CD2 3.1Å; F83-H92 WeakPolarHBondContact CZ-CD2 3.42Å; F83-H92 AromaticContact CZ-CG 3.42Å; F83-H92 VanDerWaalsContact CZ-CG 3.42Å; F83-H92 AromaticContact CZ-NE2 3.63Å; F88-H92 VanDerWaalsContact O-CB 3.24Å; F88-H92 WeakPolarHBondContact O-CB 3.4Å; F88-H92 PolarHBondContact O-N 3.28Å; F88-H92 VanDerWaalsContact O-N 3.08Å; L89-H92 PolarHBondContact O-N 2.85Å; L89-H92 VanDerWaalsContact O-N 3.11Å; A90-H92 VanDerWaalsContact C-N 3.27Å; A90-H92 PolarHBondContact O-N 2.78Å; H92-Q94 PolarHBondContact O-N 2.97Å; H92-V95 WeakPolarHBondContact O-CA 3.29Å; H92-V95 VanDerWaalsContact O-CB 3.3Å; H92-V95 WeakPolarHBondContact O-CB 3.34Å; H92-V95 PolarHBondContact O-N 2.81Å; H92-H96 AromaticContact CD2-NE2 3.54Å; H92-H96 AromaticContact CE1-NE2 3.38Å; H92-H96 PolarHBondContact CE1-NE2 3.43Å; H92-H96 AromaticContact NE2-NE2 2.86Å; H92-H96 PolarHBondContact NE2-NE2 3.45Å; H92-H96 PolarHBondContact O-N 3.02Å
93	R	62.3	Low	52.4	Low	118 Å²	118	93.9 Å²	93.9	45%	0.445	53%	0.53	S	S	.	.	H	α-helix	trans	-59.6	-35.8	172.1	-78.5	175.8	161.8	161.6	-6.9	112.2	E78 L89 A90 V95 H96 A97	E78-R93 IonicContact OE1-NE 3.44Å; E78-R93 PolarHBondContact OE1-NE 2.78Å; L89-R93 PolarHBondContact O-N 3.47Å; A90-R93 PolarHBondContact O-N 3.19Å; R93-V95 PolarHBondContact O-N 2.94Å; R93-H96 PolarHBondContact O-N 3.16Å; R93-A97 PolarHBondContact O-N 3.13Å
94	Q	58.2	Low	52.6	Low	123 Å²	123	93.7 Å²	93.7	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-61.6	-21.3	171.4	-68.9	175.5	-13.7	0	0	113.7	A90 L91 H92 A98	A90-Q94 PolarHBondContact O-N 3.25Å; L91-Q94 VanDerWaalsContact CD1-OE1 3.32Å; H92-Q94 PolarHBondContact O-N 2.97Å; Q94-A98 WeakPolarHBondContact O-CB 3.29Å; Q94-A98 PolarHBondContact O-N 3.33Å
95	V	55.1	Low	53.3	Low	84 Å²	84	89.8 Å²	89.8	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-79.3	-27.2	173.1	-177.5	0	0	0	0	112.1	H92 R93	H92-V95 WeakPolarHBondContact O-CA 3.29Å; H92-V95 VanDerWaalsContact O-CB 3.3Å; H92-V95 WeakPolarHBondContact O-CB 3.34Å; H92-V95 PolarHBondContact O-N 2.81Å; R93-V95 PolarHBondContact O-N 2.94Å
96	H	58.6	Low	53.4	Low	90 Å²	90	87.4 Å²	87.4	42%	0.417	53%	0.529	S	S	.	.	H	α-helix	trans	-76.1	-33.1	170	-64.5	-68.4	0	0	0	111.5	C76 E78 C79 H92 R93	C76-H96 PolarHBondContact SG-NE2 2.72Å; E78-H96 WeakPolarHBondContact OE2-CB 3.49Å; E78-H96 IonicContact OE2-CD2 3.09Å; E78-H96 PolarHBondContact OE2-CD2 3.43Å; E78-H96 IonicContact OE2-CG 3.45Å; C79-H96 WeakPolarHBondContact CB-CE1 3.4Å; C79-H96 PolarHBondContact SG-NE2 2.92Å; H92-H96 AromaticContact CD2-NE2 3.54Å; H92-H96 AromaticContact CE1-NE2 3.38Å; H92-H96 PolarHBondContact CE1-NE2 3.43Å; H92-H96 AromaticContact NE2-NE2 2.86Å; H92-H96 PolarHBondContact NE2-NE2 3.45Å; H92-H96 PolarHBondContact O-N 3.02Å; R93-H96 PolarHBondContact O-N 3.16Å
97	A	55.4	Low	54	Low	86 Å²	86	84.7 Å²	84.7	71%	0.711	51%	0.507	S	S	*	.	H	α-helix	trans	-72	-29.3	173.5	0	0	0	0	0	113.9	R93 A99	R93-A97 PolarHBondContact O-N 3.13Å; A97-A99 PolarHBondContact O-N 2.87Å
98	A	51.6	Low	54	Low	64 Å²	64	87.8 Å²	87.8	53%	0.529	51%	0.512	S	S	.	.			trans	-89.6	68.1	-176.2	0	0	0	0	0	112.8	Q94 T100	Q94-A98 WeakPolarHBondContact O-CB 3.29Å; Q94-A98 PolarHBondContact O-N 3.33Å; A98-T100 VanDerWaalsContact C-N 3.26Å; A98-T100 PolarHBondContact O-N 3.01Å
99	A	44.5	Very low	54.3	Low	93 Å²	93	88.5 Å²	88.5	77%	0.769	52%	0.52	S	S	*	.			trans	-78.8	49.6	-176.4	0	0	0	0	0	115.1	A97	A97-A99 PolarHBondContact O-N 2.87Å
100	T	38.4	Very low	54.1	Low	118 Å²	118	90.3 Å²	90.3	72%	0.724	53%	0.533	S	S	*	.			trans	-139.9	128.4	167.9	43.1	0	0	0	0	111.9	A98	A98-T100 VanDerWaalsContact C-N 3.26Å; A98-T100 PolarHBondContact O-N 3.01Å
101	P	46.8	Very low	54.1	Low	137 Å²	137	90.7 Å²	90.7	89%	0.89	54%	0.542	S	S	*	.			trans	-96.8	12.7	-162.6	37.5	-38.3	0	0	0	117.4
102	D	41.8	Very low	54.3	Low	154 Å²	154	92.1 Å²	92.1	82%	0.824	55%	0.547	S	S	*	.			trans	-125.4	17.3	-167.7	-133	-15.8	0	0	0	117.6
103	L	47.2	Very low	54.3	Low	166 Å²	166	95 Å²	95	87%	0.869	57%	0.57	S	S	*	*			trans	-107.7	118.9	169.1	-72.8	176.2	0	0	0	112.2	F105	L103-F105 PolarHBondContact O-N 3.28Å
104	G	56.7	Low	54.3	Low	42 Å²	42	91.1 Å²	91.1	43%	0.433	56%	0.557	S	S	.	*			trans	-71	121	-178.7	0	0	0	0	0	113	A106	G104-A106 PolarHBondContact O-N 3.26Å
105	F	61.8	Low	53.9	Low	89 Å²	89	97.9 Å²	97.9	39%	0.39	58%	0.577	S	S	.	*			trans	-34.1	100.9	-178.6	-63.9	-82.7	0	0	0	114.8	L103 F114 W117 L120	L103-F105 PolarHBondContact O-N 3.28Å; F105-F114 PolarHBondContact N-O 3.1Å; F105-F114 PolarHBondContact O-N 2.9Å; F105-W117 HydrophobicContact CD1-CB 4.41Å; F105-W117 HydrophobicContact CD2-CB 4.41Å; F105-W117 HydrophobicContact CE1-CB 4.1Å; F105-W117 AromaticContact CE1-CD1 3.97Å; F105-W117 HydrophobicContact CE1-CG 4.46Å; F105-W117 HydrophobicContact CE2-CB 4.1Å; F105-W117 HydrophobicContact CZ-CB 3.95Å; F105-L120 HydrophobicContact CB-CB 4.11Å; F105-L120 HydrophobicContact CB-CD2 3.85Å
106	A	54.3	Low	53.9	Low	62 Å²	62	95.3 Å²	95.3	51%	0.512	57%	0.568	S	S	.	*	B	Isolated β-bridge	trans	-88.2	147.5	179.8	0	0	0	0	0	112.7	G104 Q112	G104-A106 PolarHBondContact O-N 3.26Å; A106-Q112 CarbonylContact C-O 3.1Å; A106-Q112 WeakPolarHBondContact CA-O 3.37Å
107	C	63.3	Low	53.7	Low	1 Å²	1	96.6 Å²	96.6	1%	0.007	57%	0.569	C	S	.	*			trans	-91.3	109	173.4	-177	0	0	0	0	110.8	L109 C110 G111 Q112 F114 L120 H123 L124	C107-L109 PolarHBondContact O-N 3.36Å; C107-C110 VanDerWaalsContact CB-SG 3.58Å; C107-C110 PolarHBondContact O-N 2.93Å; C107-G111 PolarHBondContact O-N 3.38Å; C107-Q112 PolarHBondContact N-O 3.36Å; C107-F114 HydrophobicContact CB-CE2 4.16Å; C107-L120 HydrophobicContact CB-CD1 3.63Å; C107-H123 PolarHBondContact SG-CD2 3.5Å; C107-L124 VanDerWaalsContact SG-CD2 3.6Å
108	H	53.5	Low	53.9	Low	158 Å²	158	97.1 Å²	97.1	73%	0.731	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-18.8	178.6	61.9	-94.7	0	0	0	114.4
109	L	53.7	Low	54.4	Low	99 Å²	99	96.1 Å²	96.1	52%	0.518	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-9.3	177.6	-59	175.1	0	0	0	114.4	C107 L124 H127	C107-L109 PolarHBondContact O-N 3.36Å; L109-L124 HydrophobicContact CD1-CD2 4.24Å; L109-H127 HydrophobicContact CD1-CB 3.71Å
110	C	61.3	Low	55.6	Low	53 Å²	53	92.6 Å²	92.6	36%	0.358	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.4	6.4	-174.9	72.2	0	0	0	0	116.6	C107 Q112 H123	C107-C110 VanDerWaalsContact CB-SG 3.58Å; C107-C110 PolarHBondContact O-N 2.93Å; C110-Q112 PolarHBondContact O-N 3.07Å; C110-H123 PolarHBondContact SG-NE2 2.86Å
111	G	56.3	Low	56.7	Low	63 Å²	63	88.1 Å²	88.1	65%	0.649	50%	0.495	S	S	*	.			trans	70.7	-7.9	180	0	0	0	0	0	116.4	C107 S113	C107-G111 PolarHBondContact O-N 3.38Å; G111-S113 PolarHBondContact O-N 2.91Å
112	Q	59	Low	57.5	Low	103 Å²	103	86.9 Å²	86.9	48%	0.481	48%	0.48	S	S	.	.			trans	-68.6	126.5	-175.1	-67.2	-179	9.7	0	0	112	A106 C107 C110 F114 H123	A106-Q112 CarbonylContact C-O 3.1Å; A106-Q112 WeakPolarHBondContact CA-O 3.37Å; C107-Q112 PolarHBondContact N-O 3.36Å; C110-Q112 PolarHBondContact O-N 3.07Å; Q112-F114 HydrophobicContact CB-CE2 3.67Å; Q112-F114 HydrophobicContact CB-CZ 3.77Å; Q112-F114 VanDerWaalsContact O-CD2 3.3Å; Q112-F114 WeakPolarHBondContact O-CD2 3.37Å; Q112-F114 WeakPolarHBondContact O-CE2 3.43Å; Q112-H123 PolarHBondContact OE1-CE1 3.25Å
113	S	59.9	Low	58.9	Low	91 Å²	91	81.2 Å²	81.2	64%	0.636	45%	0.449	S	S	*	.	B	Isolated β-bridge	trans	-91.5	140.8	177.1	58	0	0	0	0	112.3	G111	G111-S113 PolarHBondContact O-N 2.91Å
114	F	62.6	Low	59.5	Low	38 Å²	38	75.6 Å²	75.6	17%	0.167	42%	0.42	C	S	.	.			trans	-126.7	126.4	-174.5	-66.6	-80.8	0	0	0	111.8	F105 C107 Q112 G116 A119 L120 H123	F105-F114 PolarHBondContact N-O 3.1Å; F105-F114 PolarHBondContact O-N 2.9Å; C107-F114 HydrophobicContact CB-CE2 4.16Å; Q112-F114 HydrophobicContact CB-CE2 3.67Å; Q112-F114 HydrophobicContact CB-CZ 3.77Å; Q112-F114 VanDerWaalsContact O-CD2 3.3Å; Q112-F114 WeakPolarHBondContact O-CD2 3.37Å; Q112-F114 WeakPolarHBondContact O-CE2 3.43Å; F114-G116 PolarHBondContact O-N 3.04Å; F114-A119 HydrophobicContact CB-CB 4.1Å; F114-A119 HydrophobicContact CD1-CB 3.93Å; F114-A119 HydrophobicContact CG-CB 4.33Å; F114-L120 HydrophobicContact CB-CB 4.2Å; F114-L120 HydrophobicContact CD2-CB 4.07Å; F114-L120 HydrophobicContact CD2-CD1 3.84Å; F114-L120 HydrophobicContact CE2-CD1 4.17Å; F114-L120 HydrophobicContact CG-CB 4.31Å; F114-H123 HydrophobicContact CE1-CB 4.22Å; F114-H123 HydrophobicContact CE2-CB 3.96Å; F114-H123 AromaticContact CE2-CG 3.77Å; F114-H123 AromaticContact CE2-ND1 3.99Å; F114-H123 HydrophobicContact CZ-CB 3.72Å; F114-H123 AromaticContact CZ-CE1 3.98Å; F114-H123 AromaticContact CZ-CG 3.49Å; F114-H123 VanDerWaalsContact CZ-CG 3.49Å; F114-H123 AromaticContact CZ-ND1 3.32Å; F114-H123 VanDerWaalsContact CZ-ND1 3.32Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.4Å
115	R	50.3	Low	59.6	Low	265 Å²	265	80.8 Å²	80.8	100%	1	43%	0.426	S	S	*	.	S	Bend	trans	-74.2	73.9	171.1	-70.2	-173.1	173.7	-173.7	-3.3	110.8
116	G	56	Low	59.4	Low	30 Å²	30	79.1 Å²	79.1	31%	0.309	43%	0.429	S	S	.	.	S	Bend	trans	122.5	134.2	172.7	0	0	0	0	0	114.2	F114 V118 A119	F114-G116 PolarHBondContact O-N 3.04Å; G116-V118 VanDerWaalsContact C-N 3.27Å; G116-V118 PolarHBondContact O-N 3.26Å; G116-V118 VanDerWaalsContact O-N 3.12Å; G116-A119 WeakPolarHBondContact O-CB 3.12Å; G116-A119 PolarHBondContact O-N 3.02Å
117	W	54.3	Low	59.7	Low	117 Å²	117	79.6 Å²	79.6	44%	0.443	42%	0.42	S	S	.	.	H	α-helix	trans	-48.4	-39.7	-176.4	-177.6	79.3	0	0	0	114.8	F105 A119 L120 V121	F105-W117 HydrophobicContact CD1-CB 4.41Å; F105-W117 HydrophobicContact CD2-CB 4.41Å; F105-W117 HydrophobicContact CE1-CB 4.1Å; F105-W117 AromaticContact CE1-CD1 3.97Å; F105-W117 HydrophobicContact CE1-CG 4.46Å; F105-W117 HydrophobicContact CE2-CB 4.1Å; F105-W117 HydrophobicContact CZ-CB 3.95Å; W117-A119 VanDerWaalsContact C-N 3.25Å; W117-A119 PolarHBondContact O-N 3.24Å; W117-L120 PolarHBondContact O-N 3.21Å; W117-V121 HydrophobicContact CD2-CG2 3.93Å; W117-V121 HydrophobicContact CE3-CG2 4.36Å; W117-V121 HydrophobicContact CG-CG2 4.39Å; W117-V121 HydrophobicContact CH2-CG2 4.41Å; W117-V121 HydrophobicContact CZ2-CG2 3.97Å; W117-V121 WeakPolarHBondContact O-CG2 3.3Å; W117-V121 PolarHBondContact O-N 3.07Å
118	V	58.8	Low	59.4	Low	97 Å²	97	84.3 Å²	84.3	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-60.5	-34.4	179.2	-179.7	0	0	0	0	112.1	G116 L122	G116-V118 VanDerWaalsContact C-N 3.27Å; G116-V118 PolarHBondContact O-N 3.26Å; G116-V118 VanDerWaalsContact O-N 3.12Å; V118-L122 HydrophobicContact CG1-CD1 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.39Å; V118-L122 VanDerWaalsContact O-N 3.08Å
119	A	62.6	Low	59.2	Low	42 Å²	42	79.1 Å²	79.1	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-73.2	-40.5	177.7	0	0	0	0	0	111.7	F114 G116 W117 L122 H123	F114-A119 HydrophobicContact CB-CB 4.1Å; F114-A119 HydrophobicContact CD1-CB 3.93Å; F114-A119 HydrophobicContact CG-CB 4.33Å; G116-A119 WeakPolarHBondContact O-CB 3.12Å; G116-A119 PolarHBondContact O-N 3.02Å; W117-A119 VanDerWaalsContact C-N 3.25Å; W117-A119 PolarHBondContact O-N 3.24Å; A119-L122 PolarHBondContact O-N 2.72Å; A119-H123 PolarHBondContact O-N 2.98Å
120	L	69.9	Low	59.1	Low	19 Å²	19	79.3 Å²	79.3	10%	0.099	45%	0.453	C	S	.	.	H	α-helix	trans	-61.9	-45.1	172.1	176.1	62	0	0	0	111.3	F105 C107 F114 W117 L122 H123 L124	F105-L120 HydrophobicContact CB-CB 4.11Å; F105-L120 HydrophobicContact CB-CD2 3.85Å; C107-L120 HydrophobicContact CB-CD1 3.63Å; F114-L120 HydrophobicContact CB-CB 4.2Å; F114-L120 HydrophobicContact CD2-CB 4.07Å; F114-L120 HydrophobicContact CD2-CD1 3.84Å; F114-L120 HydrophobicContact CE2-CD1 4.17Å; F114-L120 HydrophobicContact CG-CB 4.31Å; W117-L120 PolarHBondContact O-N 3.21Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.72Å; L120-H123 CarbonylContact O-C 3.58Å; L120-H123 WeakPolarHBondContact O-CA 3.32Å; L120-H123 WeakPolarHBondContact O-CB 3.4Å; L120-H123 PolarHBondContact O-N 3.3Å; L120-L124 HydrophobicContact CD1-CD1 3.97Å; L120-L124 HydrophobicContact CD1-CD2 4.45Å; L120-L124 HydrophobicContact CD1-CG 3.89Å; L120-L124 HydrophobicContact CD2-CD1 4.3Å; L120-L124 HydrophobicContact CG-CD1 3.81Å; L120-L124 HydrophobicContact CG-CG 4.2Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 2.78Å
121	V	60.3	Low	58.5	Low	24 Å²	24	84.4 Å²	84.4	15%	0.145	47%	0.469	C	S	.	.	H	α-helix	trans	-63.1	-36.6	178.7	172.4	0	0	0	0	111.9	W117 H123 R125	W117-V121 HydrophobicContact CD2-CG2 3.93Å; W117-V121 HydrophobicContact CE3-CG2 4.36Å; W117-V121 HydrophobicContact CG-CG2 4.39Å; W117-V121 HydrophobicContact CH2-CG2 4.41Å; W117-V121 HydrophobicContact CZ2-CG2 3.97Å; W117-V121 WeakPolarHBondContact O-CG2 3.3Å; W117-V121 PolarHBondContact O-N 3.07Å; V121-H123 VanDerWaalsContact C-N 3.33Å; V121-R125 WeakPolarHBondContact O-CB 3.48Å; V121-R125 VanDerWaalsContact O-CG 3.26Å; V121-R125 WeakPolarHBondContact O-CG 3.3Å; V121-R125 PolarHBondContact O-N 2.92Å; V121-R125 VanDerWaalsContact O-N 3.17Å
122	L	64.7	Low	58.5	Low	111 Å²	111	92.8 Å²	92.8	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-69.7	-29.2	172.8	-73.4	171.2	0	0	0	112.9	V118 A119 L120	V118-L122 HydrophobicContact CG1-CD1 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.48Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.39Å; V118-L122 VanDerWaalsContact O-N 3.08Å; A119-L122 PolarHBondContact O-N 2.72Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.72Å
123	H	69.8	Low	58.6	Low	36 Å²	36	89.4 Å²	89.4	17%	0.167	47%	0.469	C	S	.	.	H	α-helix	trans	-75	-46.7	173.8	-178.2	98.7	0	0	0	112.1	C107 C110 Q112 F114 A119 L120 V121 R125 A126 H127	C107-H123 PolarHBondContact SG-CD2 3.5Å; C110-H123 PolarHBondContact SG-NE2 2.86Å; Q112-H123 PolarHBondContact OE1-CE1 3.25Å; F114-H123 HydrophobicContact CE1-CB 4.22Å; F114-H123 HydrophobicContact CE2-CB 3.96Å; F114-H123 AromaticContact CE2-CG 3.77Å; F114-H123 AromaticContact CE2-ND1 3.99Å; F114-H123 HydrophobicContact CZ-CB 3.72Å; F114-H123 AromaticContact CZ-CE1 3.98Å; F114-H123 AromaticContact CZ-CG 3.49Å; F114-H123 VanDerWaalsContact CZ-CG 3.49Å; F114-H123 AromaticContact CZ-ND1 3.32Å; F114-H123 VanDerWaalsContact CZ-ND1 3.32Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.4Å; A119-H123 PolarHBondContact O-N 2.98Å; L120-H123 CarbonylContact O-C 3.58Å; L120-H123 WeakPolarHBondContact O-CA 3.32Å; L120-H123 WeakPolarHBondContact O-CB 3.4Å; L120-H123 PolarHBondContact O-N 3.3Å; V121-H123 VanDerWaalsContact C-N 3.33Å; H123-R125 VanDerWaalsContact C-N 3.28Å; H123-R125 PolarHBondContact O-N 2.82Å; H123-A126 WeakPolarHBondContact O-CA 3.23Å; H123-A126 WeakPolarHBondContact O-CB 3.28Å; H123-A126 PolarHBondContact O-N 2.86Å; H123-H127 AromaticContact CD2-CD2 3.68Å; H123-H127 AromaticContact CD2-NE2 3.5Å; H123-H127 PolarHBondContact CD2-NE2 2.85Å; H123-H127 AromaticContact CE1-NE2 3.98Å; H123-H127 AromaticContact NE2-CD2 3.63Å; H123-H127 AromaticContact NE2-NE2 2.94Å; H123-H127 PolarHBondContact NE2-NE2 3.05Å
124	L	60.8	Low	58.9	Low	48 Å²	48	88 Å²	88	25%	0.251	45%	0.454	S	S	.	.	H	α-helix	trans	-60.1	-37	177.4	-71.1	170.5	0	0	0	112	C107 L109 L120 A126 H127 S128	C107-L124 VanDerWaalsContact SG-CD2 3.6Å; L109-L124 HydrophobicContact CD1-CD2 4.24Å; L120-L124 HydrophobicContact CD1-CD1 3.97Å; L120-L124 HydrophobicContact CD1-CD2 4.45Å; L120-L124 HydrophobicContact CD1-CG 3.89Å; L120-L124 HydrophobicContact CD2-CD1 4.3Å; L120-L124 HydrophobicContact CG-CD1 3.81Å; L120-L124 HydrophobicContact CG-CG 4.2Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 2.78Å; L124-A126 PolarHBondContact O-N 2.81Å; L124-A126 VanDerWaalsContact O-N 3.16Å; L124-H127 PolarHBondContact O-N 2.8Å; L124-S128 PolarHBondContact O-N 3.07Å; L124-S128 VanDerWaalsContact O-N 3.12Å
125	R	59.4	Low	59.2	Low	150 Å²	150	88.6 Å²	88.6	57%	0.566	47%	0.465	S	S	*	.	H	α-helix	trans	-63.7	-13.5	171	-74.7	174.6	-178.7	-175.8	2.3	114.7	V121 H123	V121-R125 WeakPolarHBondContact O-CB 3.48Å; V121-R125 VanDerWaalsContact O-CG 3.26Å; V121-R125 WeakPolarHBondContact O-CG 3.3Å; V121-R125 PolarHBondContact O-N 2.92Å; V121-R125 VanDerWaalsContact O-N 3.17Å; H123-R125 VanDerWaalsContact C-N 3.28Å; H123-R125 PolarHBondContact O-N 2.82Å
126	A	57.1	Low	60.1	Low	54 Å²	54	76 Å²	76	45%	0.446	42%	0.418	S	S	.	.	H	α-helix	trans	-85.7	-23.9	172.1	0	0	0	0	0	112.7	H123 L124	H123-A126 WeakPolarHBondContact O-CA 3.23Å; H123-A126 WeakPolarHBondContact O-CB 3.28Å; H123-A126 PolarHBondContact O-N 2.86Å; L124-A126 PolarHBondContact O-N 2.81Å; L124-A126 VanDerWaalsContact O-N 3.16Å
127	H	61.1	Low	60.6	Low	73 Å²	73	80.1 Å²	80.1	34%	0.338	44%	0.439	S	S	.	.	H	α-helix	trans	-79	-44.8	171.2	-68.5	-77.9	0	0	0	111.5	L109 H123 L124 A129	L109-H127 HydrophobicContact CD1-CB 3.71Å; H123-H127 AromaticContact CD2-CD2 3.68Å; H123-H127 AromaticContact CD2-NE2 3.5Å; H123-H127 PolarHBondContact CD2-NE2 2.85Å; H123-H127 AromaticContact CE1-NE2 3.98Å; H123-H127 AromaticContact NE2-CD2 3.63Å; H123-H127 AromaticContact NE2-NE2 2.94Å; H123-H127 PolarHBondContact NE2-NE2 3.05Å; L124-H127 PolarHBondContact O-N 2.8Å; H127-A129 PolarHBondContact O-N 3.27Å; H127-A129 VanDerWaalsContact O-N 3.11Å
128	S	56.3	Low	61.2	Low	100 Å²	100	82 Å²	82	70%	0.699	45%	0.45	S	S	*	.	S	Bend	trans	-70	-6.7	-177.4	74.1	0	0	0	0	114.8	L124	L124-S128 PolarHBondContact O-N 3.07Å; L124-S128 VanDerWaalsContact O-N 3.12Å
129	A	49.2	Very low	62	Low	49 Å²	49	79.9 Å²	79.9	41%	0.405	44%	0.439	S	S	.	.	S	Bend	trans	-100.4	81.2	-178.6	0	0	0	0	0	110.4	H127 K131	H127-A129 PolarHBondContact O-N 3.27Å; H127-A129 VanDerWaalsContact O-N 3.11Å; A129-K131 WeakPolarHBondContact O-CG 3.45Å; A129-K131 PolarHBondContact O-N 3.24Å
130	A	52	Low	61.9	Low	102 Å²	102	85.6 Å²	85.6	84%	0.843	46%	0.458	S	S	*	.			trans	-36.1	97.5	-173.3	0	0	0	0	0	114.8
131	K	48.1	Very low	61.4	Low	160 Å²	160	93 Å²	93	70%	0.696	49%	0.485	S	S	*	.			trans	-141.7	103.1	174.1	-72.2	-177.1	-178.5	175.4	0	108.9	A129	A129-K131 WeakPolarHBondContact O-CG 3.45Å; A129-K131 PolarHBondContact O-N 3.24Å
132	R	57.6	Low	61.4	Low	239 Å²	239	100.8 Å²	100.8	90%	0.902	51%	0.512	S	S	*	.			trans	-51.7	131.9	171.9	-66	-174.4	178.8	-161.4	-0.5	108.5	I134	R132-I134 PolarHBondContact O-N 2.95Å
133	P	59.3	Low	61.7	Low	33 Å²	33	97.3 Å²	97.3	21%	0.214	49%	0.492	C	S	.	.			trans	-63.8	131.6	-176.1	24.7	-33.2	0	0	0	110.3	A135 R142 W144	P133-A135 PolarHBondContact O-N 3.39Å; P133-R142 HydrophobicContact CB-CB 4.01Å; P133-R142 HydrophobicContact CB-CG 4.25Å; P133-R142 HydrophobicContact CG-CG 4.36Å; P133-W144 HydrophobicContact CB-CD2 4.11Å; P133-W144 HydrophobicContact CB-CE3 3.94Å; P133-W144 HydrophobicContact CB-CH2 3.93Å; P133-W144 HydrophobicContact CB-CZ2 4.07Å; P133-W144 HydrophobicContact CB-CZ3 3.85Å; P133-W144 HydrophobicContact CG-CH2 3.92Å; P133-W144 HydrophobicContact CG-CZ2 4.34Å; P133-W144 HydrophobicContact CG-CZ3 4.1Å
134	I	67.4	Low	61.1	Low	62 Å²	62	103.3 Å²	103.3	32%	0.318	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.2	-173.2	-45.3	174.4	0	0	0	108.3	R132 F143 R146 L149	R132-I134 PolarHBondContact O-N 2.95Å; I134-F143 WeakPolarHBondContact CB-O 3.42Å; I134-F143 PolarHBondContact N-O 3.12Å; I134-F143 PolarHBondContact O-N 3.08Å; I134-R146 HydrophobicContact CD1-CB 4.48Å; I134-R146 HydrophobicContact CD1-CG 3.52Å; I134-L149 HydrophobicContact CB-CD2 4.38Å; I134-L149 HydrophobicContact CG2-CD2 3.64Å
135	A	67.7	Low	61.2	Low	49 Å²	49	109 Å²	109	41%	0.405	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.9	173.6	0	0	0	0	0	111.6	P133 E140 R141	P133-A135 PolarHBondContact O-N 3.39Å; A135-E140 WeakPolarHBondContact CB-O 3.37Å; A135-R141 CarbonylContact C-O 3.58Å
136	C	69.2	Low	61.3	Low	1 Å²	1	110.9 Å²	110.9	1%	0.007	54%	0.539	C	S	.	.			trans	-83.1	120.4	167.9	-174	0	0	0	0	109.6	K138 C139 E140 R141 F143 L149 H152	C136-K138 PolarHBondContact O-N 3.07Å; C136-C139 PolarHBondContact O-N 3.36Å; C136-E140 VanDerWaalsContact O-CA 3.24Å; C136-E140 WeakPolarHBondContact O-CA 3.46Å; C136-E140 PolarHBondContact O-N 3.04Å; C136-R141 PolarHBondContact N-O 3.12Å; C136-F143 HydrophobicContact CB-CE2 4.26Å; C136-L149 HydrophobicContact CB-CD1 3.98Å; C136-H152 PolarHBondContact SG-NE2 2.94Å
137	P	67.3	Low	61.8	Low	116 Å²	116	116.6 Å²	116.6	75%	0.753	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	10.5	-175.7	30.8	-37.3	0	0	0	114.6
138	K	67.7	Low	61.9	Low	158 Å²	158	117.7 Å²	117.7	69%	0.687	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-5.3	176.2	-69	-162.9	172.9	-162.9	0	114.8	C136 H157	C136-K138 PolarHBondContact O-N 3.07Å; K138-H157 HydrophobicContact CD-CB 4.2Å
139	C	74.2	Confident	62.8	Low	51 Å²	51	113.9 Å²	113.9	35%	0.345	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.3	18	177.7	73.4	0	0	0	0	113.6	C136 R141 H152	C136-C139 PolarHBondContact O-N 3.36Å; C139-R141 PolarHBondContact O-N 2.81Å; C139-H152 PolarHBondContact SG-NE2 3.37Å
140	E	60	Low	63.7	Low	162 Å²	162	118.6 Å²	118.6	76%	0.757	54%	0.537	S	S	*	.			trans	56.6	-13.7	175.2	-51	-157.7	145	0	0	119.2	A135 C136 R142	A135-E140 WeakPolarHBondContact CB-O 3.37Å; C136-E140 VanDerWaalsContact O-CA 3.24Å; C136-E140 WeakPolarHBondContact O-CA 3.46Å; C136-E140 PolarHBondContact O-N 3.04Å; E140-R142 PolarHBondContact O-N 3.1Å
141	R	61.1	Low	64.6	Low	176 Å²	176	116.4 Å²	116.4	66%	0.664	52%	0.52	S	S	*	.			trans	-48.6	127.2	-178.4	-73.3	-176.7	175.3	-161	-3.2	111.6	A135 C136 C139 F143	A135-R141 CarbonylContact C-O 3.58Å; C136-R141 PolarHBondContact N-O 3.12Å; C139-R141 PolarHBondContact O-N 2.81Å; R141-F143 HydrophobicContact CB-CE2 3.79Å; R141-F143 HydrophobicContact CB-CZ 4.08Å; R141-F143 WeakPolarHBondContact O-CD2 3.36Å; R141-F143 WeakPolarHBondContact O-CE2 3.29Å
142	R	60.5	Low	65.9	Low	187 Å²	187	109.9 Å²	109.9	71%	0.706	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.6	-169.6	-81	179.3	177.3	-164.2	0.2	112.4	P133 E140	P133-R142 HydrophobicContact CB-CB 4.01Å; P133-R142 HydrophobicContact CB-CG 4.25Å; P133-R142 HydrophobicContact CG-CG 4.36Å; E140-R142 PolarHBondContact O-N 3.1Å
143	F	69.8	Low	66.5	Low	38 Å²	38	100.9 Å²	100.9	17%	0.167	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.3	-177.3	-63.8	-81.7	0	0	0	113.2	I134 C136 R141 R145 Q148 L149 H152	I134-F143 WeakPolarHBondContact CB-O 3.42Å; I134-F143 PolarHBondContact N-O 3.12Å; I134-F143 PolarHBondContact O-N 3.08Å; C136-F143 HydrophobicContact CB-CE2 4.26Å; R141-F143 HydrophobicContact CB-CE2 3.79Å; R141-F143 HydrophobicContact CB-CZ 4.08Å; R141-F143 WeakPolarHBondContact O-CD2 3.36Å; R141-F143 WeakPolarHBondContact O-CE2 3.29Å; F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.21Å; F143-Q148 HydrophobicContact CB-CB 4.45Å; F143-Q148 HydrophobicContact CD1-CB 3.95Å; F143-L149 HydrophobicContact CB-CB 4.13Å; F143-L149 HydrophobicContact CD2-CB 4.31Å; F143-L149 HydrophobicContact CD2-CD1 3.81Å; F143-L149 HydrophobicContact CE2-CD1 4.24Å; F143-L149 HydrophobicContact CG-CB 4.3Å; F143-H152 HydrophobicContact CE1-CB 3.93Å; F143-H152 HydrophobicContact CE2-CB 4.08Å; F143-H152 AromaticContact CE2-CD2 3.18Å; F143-H152 WeakPolarHBondContact CE2-CD2 3.45Å; F143-H152 AromaticContact CE2-CG 3.69Å; F143-H152 AromaticContact CE2-NE2 3.81Å; F143-H152 HydrophobicContact CZ-CB 3.54Å; F143-H152 AromaticContact CZ-CD2 3.36Å; F143-H152 WeakPolarHBondContact CZ-CD2 3.49Å; F143-H152 AromaticContact CZ-CG 3.33Å; F143-H152 AromaticContact CZ-ND1 3.98Å; F143-H152 AromaticContact CZ-NE2 4Å
144	W	58.2	Low	67	Low	162 Å²	162	107.9 Å²	107.9	61%	0.614	48%	0.483	S	S	*	.	S	Bend	trans	-74.4	-9.7	-178	-59.7	102.5	0	0	0	115	P133	P133-W144 HydrophobicContact CB-CD2 4.11Å; P133-W144 HydrophobicContact CB-CE3 3.94Å; P133-W144 HydrophobicContact CB-CH2 3.93Å; P133-W144 HydrophobicContact CB-CZ2 4.07Å; P133-W144 HydrophobicContact CB-CZ3 3.85Å; P133-W144 HydrophobicContact CG-CH2 3.92Å; P133-W144 HydrophobicContact CG-CZ2 4.34Å; P133-W144 HydrophobicContact CG-CZ3 4.1Å
145	R	62.8	Low	67.1	Low	167 Å²	167	115.2 Å²	115.2	63%	0.63	51%	0.507	S	S	*	.	S	Bend	trans	-141.1	133.8	177.1	-55.2	-174.3	-178.1	-146	-0	112.2	F143 K147 Q148 L149	F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.21Å; R145-K147 PolarHBondContact O-N 3.06Å; R145-Q148 HydrophobicContact CB-CG 4.41Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 3.42Å; R145-L149 PolarHBondContact O-N 3.34Å
146	R	61.4	Low	66.9	Low	190 Å²	190	116.1 Å²	116.1	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-53.3	-17.1	172.2	-76.8	-173	172.4	179.6	-3.7	114.7	I134 R150	I134-R146 HydrophobicContact CD1-CB 4.48Å; I134-R146 HydrophobicContact CD1-CG 3.52Å; R146-R150 WeakPolarHBondContact O-CB 3.31Å; R146-R150 VanDerWaalsContact O-CG 3.31Å; R146-R150 WeakPolarHBondContact O-CG 3.46Å; R146-R150 PolarHBondContact O-N 3.4Å; R146-R150 PolarHBondContact O-NE 3.49Å
147	K	67	Low	67	Low	174 Å²	174	118.6 Å²	118.6	76%	0.757	52%	0.521	S	S	*	.	H	α-helix	trans	-81.4	-31	173	-168.9	174.1	-178.3	177.3	0	112.9	R145 A151	R145-K147 PolarHBondContact O-N 3.06Å; K147-A151 PolarHBondContact O-N 2.91Å
148	Q	63.3	Low	66.8	Low	95 Å²	95	117.6 Å²	117.6	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-74.1	-47.2	174.5	-68.8	163.8	-50.7	0	0	110.2	F143 R145 R150 A151 H152	F143-Q148 HydrophobicContact CB-CB 4.45Å; F143-Q148 HydrophobicContact CD1-CB 3.95Å; R145-Q148 HydrophobicContact CB-CG 4.41Å; R145-Q148 WeakPolarHBondContact O-CB 3.29Å; R145-Q148 PolarHBondContact O-N 3.42Å; Q148-R150 PolarHBondContact O-N 3.37Å; Q148-A151 WeakPolarHBondContact O-CA 3.45Å; Q148-A151 WeakPolarHBondContact O-CB 3.3Å; Q148-A151 PolarHBondContact O-N 3.38Å; Q148-H152 PolarHBondContact O-N 2.91Å
149	L	74.3	Confident	65.9	Low	20 Å²	20	114.9 Å²	114.9	11%	0.105	51%	0.513	C	S	.	.	H	α-helix	trans	-55.5	-47.9	173.9	178.9	60.7	0	0	0	111.7	I134 C136 F143 R145 A151 H152 L153	I134-L149 HydrophobicContact CB-CD2 4.38Å; I134-L149 HydrophobicContact CG2-CD2 3.64Å; C136-L149 HydrophobicContact CB-CD1 3.98Å; F143-L149 HydrophobicContact CB-CB 4.13Å; F143-L149 HydrophobicContact CD2-CB 4.31Å; F143-L149 HydrophobicContact CD2-CD1 3.81Å; F143-L149 HydrophobicContact CE2-CD1 4.24Å; F143-L149 HydrophobicContact CG-CB 4.3Å; R145-L149 PolarHBondContact O-N 3.34Å; L149-A151 PolarHBondContact O-N 3.36Å; L149-A151 VanDerWaalsContact O-N 3.14Å; L149-H152 PolarHBondContact O-N 3.45Å; L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CD2 4.49Å; L149-L153 HydrophobicContact CD1-CG 3.97Å; L149-L153 HydrophobicContact CG-CD1 3.9Å; L149-L153 HydrophobicContact CG-CG 4.28Å; L149-L153 WeakPolarHBondContact O-CB 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 2.85Å
150	R	68.9	Low	65	Low	148 Å²	148	116.4 Å²	116.4	56%	0.558	53%	0.529	S	S	*	.	H	α-helix	trans	-69.9	-2.7	175.1	-70.6	-176.7	-67	179.6	0.2	115.2	R146 Q148 R154	R146-R150 WeakPolarHBondContact O-CB 3.31Å; R146-R150 VanDerWaalsContact O-CG 3.31Å; R146-R150 WeakPolarHBondContact O-CG 3.46Å; R146-R150 PolarHBondContact O-N 3.4Å; R146-R150 PolarHBondContact O-NE 3.49Å; Q148-R150 PolarHBondContact O-N 3.37Å; R150-R154 PolarHBondContact O-NE 2.95Å; R150-R154 PolarHBondContact O-NH2 3.35Å
151	A	71.9	Confident	64.6	Low	57 Å²	57	114.8 Å²	114.8	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-99.7	-36.2	168.8	0	0	0	0	0	111.3	K147 Q148 L149 R155	K147-A151 PolarHBondContact O-N 2.91Å; Q148-A151 WeakPolarHBondContact O-CA 3.45Å; Q148-A151 WeakPolarHBondContact O-CB 3.3Å; Q148-A151 PolarHBondContact O-N 3.38Å; L149-A151 PolarHBondContact O-N 3.36Å; L149-A151 VanDerWaalsContact O-N 3.14Å; A151-R155 WeakPolarHBondContact O-CB 3.42Å; A151-R155 PolarHBondContact O-N 3.46Å
152	H	75.4	Confident	63.9	Low	22 Å²	22	115.3 Å²	115.3	10%	0.102	54%	0.543	C	S	.	.	H	α-helix	trans	-67.8	-48.1	172.6	163.1	60.7	0	0	0	112.3	C136 C139 F143 Q148 L149 R154 R155 C156	C136-H152 PolarHBondContact SG-NE2 2.94Å; C139-H152 PolarHBondContact SG-NE2 3.37Å; F143-H152 HydrophobicContact CE1-CB 3.93Å; F143-H152 HydrophobicContact CE2-CB 4.08Å; F143-H152 AromaticContact CE2-CD2 3.18Å; F143-H152 WeakPolarHBondContact CE2-CD2 3.45Å; F143-H152 AromaticContact CE2-CG 3.69Å; F143-H152 AromaticContact CE2-NE2 3.81Å; F143-H152 HydrophobicContact CZ-CB 3.54Å; F143-H152 AromaticContact CZ-CD2 3.36Å; F143-H152 WeakPolarHBondContact CZ-CD2 3.49Å; F143-H152 AromaticContact CZ-CG 3.33Å; F143-H152 AromaticContact CZ-ND1 3.98Å; F143-H152 AromaticContact CZ-NE2 4Å; Q148-H152 PolarHBondContact O-N 2.91Å; L149-H152 PolarHBondContact O-N 3.45Å; H152-R154 VanDerWaalsContact C-N 3.34Å; H152-R154 PolarHBondContact O-N 3.47Å; H152-R155 CarbonylContact O-C 3.59Å; H152-R155 WeakPolarHBondContact O-CA 3.2Å; H152-R155 PolarHBondContact O-N 3.29Å; H152-C156 VanDerWaalsContact CE1-SG 3.58Å; H152-C156 PolarHBondContact ND1-SG 3.06Å; H152-C156 PolarHBondContact O-N 2.94Å
153	L	70.1	Confident	63.4	Low	50 Å²	50	110.8 Å²	110.8	26%	0.262	55%	0.545	S	S	.	.	H	α-helix	trans	-52.9	-51.3	174.9	-72.1	169.3	0	0	0	110.6	L149 R155 C156 H157	L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CD2 4.49Å; L149-L153 HydrophobicContact CD1-CG 3.97Å; L149-L153 HydrophobicContact CG-CD1 3.9Å; L149-L153 HydrophobicContact CG-CG 4.28Å; L149-L153 WeakPolarHBondContact O-CB 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 2.85Å; L153-R155 PolarHBondContact O-N 3.14Å; L153-C156 PolarHBondContact O-N 3.16Å; L153-H157 HydrophobicContact CD2-CB 4.45Å; L153-H157 CarbonylContact O-C 3.42Å; L153-H157 VanDerWaalsContact O-CA 3.29Å; L153-H157 WeakPolarHBondContact O-CA 3.3Å; L153-H157 PolarHBondContact O-N 3.19Å
154	R	68.9	Low	62.6	Low	181 Å²	181	119.2 Å²	119.2	68%	0.683	58%	0.576	S	S	*	*	H	α-helix	trans	-69.1	4.8	176.3	-77.7	-177.2	-69.2	-161.2	-4.2	116	R150 H152	R150-R154 PolarHBondContact O-NE 2.95Å; R150-R154 PolarHBondContact O-NH2 3.35Å; H152-R154 VanDerWaalsContact C-N 3.34Å; H152-R154 PolarHBondContact O-N 3.47Å
155	R	69	Low	62.7	Low	216 Å²	216	115.2 Å²	115.2	82%	0.815	57%	0.57	S	S	*	*	H	α-helix	trans	-120.2	-28.3	175.9	179.5	175.8	-77.2	-173.1	-8	113	A151 H152 L153	A151-R155 WeakPolarHBondContact O-CB 3.42Å; A151-R155 PolarHBondContact O-N 3.46Å; H152-R155 CarbonylContact O-C 3.59Å; H152-R155 WeakPolarHBondContact O-CA 3.2Å; H152-R155 PolarHBondContact O-N 3.29Å; L153-R155 PolarHBondContact O-N 3.14Å
156	C	64.9	Low	62.8	Low	67 Å²	67	111.1 Å²	111.1	45%	0.453	56%	0.557	S	S	.	*	H	α-helix	trans	-116.6	-22	-176.6	-59.3	0	0	0	0	113.3	H152 L153	H152-C156 VanDerWaalsContact CE1-SG 3.58Å; H152-C156 PolarHBondContact ND1-SG 3.06Å; H152-C156 PolarHBondContact O-N 2.94Å; L153-C156 PolarHBondContact O-N 3.16Å
157	H	71.3	Confident	62.9	Low	53 Å²	53	107.3 Å²	107.3	25%	0.245	55%	0.55	C	S	.	.	S	Bend	trans	-141.9	62	179.7	-49.5	-67.2	0	0	0	109.6	K138 L153	K138-H157 HydrophobicContact CD-CB 4.2Å; L153-H157 HydrophobicContact CD2-CB 4.45Å; L153-H157 CarbonylContact O-C 3.42Å; L153-H157 VanDerWaalsContact O-CA 3.29Å; L153-H157 WeakPolarHBondContact O-CA 3.3Å; L153-H157 PolarHBondContact O-N 3.19Å
158	P	61.5	Low	63.2	Low	96 Å²	96	99 Å²	99	62%	0.623	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-58.4	137.2	-179.8	26.6	-34.4	0	0	0	110.4
159	P	50.5	Low	63.4	Low	101 Å²	101	98 Å²	98	66%	0.656	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-68	151.7	172.2	30.4	-34.5	0	0	0	110.2
160	A	54.2	Low	63	Low	83 Å²	83	102.5 Å²	102.5	69%	0.686	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-59.9	151.5	170	0	0	0	0	0	110.8	E162	A160-E162 PolarHBondContact O-N 2.8Å; A160-E162 VanDerWaalsContact O-N 3.07Å
161	P	51	Low	63.3	Low	127 Å²	127	97.9 Å²	97.9	83%	0.825	54%	0.543	S	S	*	.			trans	-75.5	98.5	-176.8	30.2	-34.2	0	0	0	111.6	A163	P161-A163 PolarHBondContact O-N 3.32Å
162	E	47.2	Very low	63.2	Low	188 Å²	188	97.8 Å²	97.8	88%	0.879	55%	0.548	S	S	*	.			trans	-57.6	117.5	164.7	-71.7	170.1	-169.3	0	0	109.8	A160 R164	A160-E162 PolarHBondContact O-N 2.8Å; A160-E162 VanDerWaalsContact O-N 3.07Å; E162-R164 PolarHBondContact O-N 3.46Å
163	A	49.1	Very low	63.2	Low	91 Å²	91	104.7 Å²	104.7	75%	0.752	57%	0.573	S	S	*	*			trans	-75.1	114.8	-170.6	0	0	0	0	0	112	P161	P161-A163 PolarHBondContact O-N 3.32Å
164	R	53.3	Low	63	Low	216 Å²	216	106.1 Å²	106.1	82%	0.815	59%	0.587	S	S	*	*			trans	-106.4	118.6	155.5	-76.2	-172.2	170.3	-144.1	-5.8	107.8	E162	E162-R164 PolarHBondContact O-N 3.46Å
165	P	60.3	Low	63.1	Low	77 Å²	77	99.3 Å²	99.3	50%	0.5	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-65.8	140.9	-177.6	27.3	-34.4	0	0	0	110.9	F175	P165-F175 CarbonylContact C-O 3.59Å; P165-F175 VanDerWaalsContact CA-O 3.31Å; P165-F175 WeakPolarHBondContact CA-O 3.23Å
166	F	65.5	Low	62.6	Low	81 Å²	81	92.5 Å²	92.5	36%	0.355	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.7	118.3	-176	-57.2	-80.6	0	0	0	109.9	F175 W178 L181	F166-F175 PolarHBondContact N-O 3.08Å; F166-F175 PolarHBondContact O-N 2.91Å; F166-W178 HydrophobicContact CB-CE3 4.27Å; F166-W178 AromaticContact CD1-CE3 3.52Å; F166-W178 HydrophobicContact CD1-CE3 3.52Å; F166-W178 HydrophobicContact CD1-CZ3 4.09Å; F166-W178 HydrophobicContact CD2-CB 4.21Å; F166-W178 AromaticContact CE1-CE3 3.94Å; F166-W178 HydrophobicContact CE1-CE3 3.94Å; F166-W178 HydrophobicContact CE2-CB 4.05Å; F166-W178 AromaticContact CG-CE3 3.92Å; F166-W178 HydrophobicContact CG-CE3 3.92Å; F166-W178 HydrophobicContact CZ-CB 4.22Å; F166-L181 HydrophobicContact CB-CB 4.25Å; F166-L181 HydrophobicContact CB-CD2 3.65Å
167	I	64.4	Low	62.6	Low	110 Å²	110	95 Å²	95	56%	0.564	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.4	134.5	-172.4	-59.9	174.7	0	0	0	111.2	G169 G172	I167-G169 PolarHBondContact O-N 3.13Å; I167-G172 WeakPolarHBondContact CG2-O 3.32Å
168	C	72	Confident	61.8	Low	0 Å²	0	99.3 Å²	99.3	0%	0	57%	0.571	C	S	.	*			trans	-81.5	103.3	173.5	-169.9	0	0	0	0	111.2	N170 C171 G172 R173 F175 L181	C168-N170 PolarHBondContact O-N 2.65Å; C168-C171 VanDerWaalsContact CB-SG 3.52Å; C168-C171 PolarHBondContact O-N 2.7Å; C168-C171 VanDerWaalsContact O-N 3.09Å; C168-G172 PolarHBondContact O-N 2.78Å; C168-R173 PolarHBondContact N-O 3.18Å; C168-F175 HydrophobicContact CB-CE2 4.2Å; C168-L181 HydrophobicContact CB-CD1 3.44Å; C168-L181 VanDerWaalsContact CB-CD1 3.44Å
169	G	67	Low	62	Low	75 Å²	75	100.3 Å²	100.3	77%	0.773	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	2.8	177	0	0	0	0	0	116.9	I167	I167-G169 PolarHBondContact O-N 3.13Å
170	N	67.4	Low	62.8	Low	114 Å²	114	99.5 Å²	99.5	61%	0.61	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-26	172.6	-69.1	72.1	0	0	0	112.5	C168 K185	C168-N170 PolarHBondContact O-N 2.65Å; N170-K185 PolarHBondContact OD1-NZ 3.26Å
171	C	75.2	Confident	63.5	Low	51 Å²	51	96 Å²	96	35%	0.345	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	6.7	-166.6	66.2	0	0	0	0	114.3	C168 R173 H184 H188	C168-C171 VanDerWaalsContact CB-SG 3.52Å; C168-C171 PolarHBondContact O-N 2.7Å; C168-C171 VanDerWaalsContact O-N 3.09Å; C171-R173 PolarHBondContact O-N 3.18Å; C171-H184 PolarHBondContact SG-NE2 2.87Å; C171-H188 PolarHBondContact SG-NE2 3.05Å
172	G	70.1	Confident	64.6	Low	55 Å²	55	92.1 Å²	92.1	57%	0.567	50%	0.503	S	S	*	.			trans	72.7	-15.5	178.7	0	0	0	0	0	116.4	I167 C168 S174	I167-G172 WeakPolarHBondContact CG2-O 3.32Å; C168-G172 PolarHBondContact O-N 2.78Å; G172-S174 PolarHBondContact O-N 2.88Å
173	R	74.9	Confident	65.9	Low	167 Å²	167	85.7 Å²	85.7	63%	0.63	48%	0.482	S	S	*	.			trans	-61.4	135.1	-175	-66.4	-172.7	178.4	-161.7	0.3	112.7	C168 C171 F175	C168-R173 PolarHBondContact N-O 3.18Å; C171-R173 PolarHBondContact O-N 3.18Å; R173-F175 HydrophobicContact CB-CE2 3.65Å; R173-F175 HydrophobicContact CB-CZ 3.83Å; R173-F175 WeakPolarHBondContact O-CE2 3.49Å
174	S	66.1	Low	67.2	Low	79 Å²	79	82.9 Å²	82.9	55%	0.552	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.6	-179.2	55.3	0	0	0	0	111.4	G172	G172-S174 PolarHBondContact O-N 2.88Å
175	F	70.3	Confident	68.1	Low	39 Å²	39	76 Å²	76	17%	0.171	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.1	-175.7	-63	-87.2	0	0	0	111.2	P165 F166 C168 R173 Q177 Q180 L181 H184	P165-F175 CarbonylContact C-O 3.59Å; P165-F175 VanDerWaalsContact CA-O 3.31Å; P165-F175 WeakPolarHBondContact CA-O 3.23Å; F166-F175 PolarHBondContact N-O 3.08Å; F166-F175 PolarHBondContact O-N 2.91Å; C168-F175 HydrophobicContact CB-CE2 4.2Å; R173-F175 HydrophobicContact CB-CE2 3.65Å; R173-F175 HydrophobicContact CB-CZ 3.83Å; R173-F175 WeakPolarHBondContact O-CE2 3.49Å; F175-Q177 VanDerWaalsContact C-N 3.28Å; F175-Q177 PolarHBondContact O-N 3.24Å; F175-Q180 HydrophobicContact CB-CB 4.09Å; F175-Q180 HydrophobicContact CD1-CB 3.92Å; F175-Q180 HydrophobicContact CG-CB 4.32Å; F175-L181 HydrophobicContact CB-CB 4.17Å; F175-L181 HydrophobicContact CD2-CB 4.01Å; F175-L181 HydrophobicContact CD2-CD1 3.83Å; F175-L181 HydrophobicContact CE2-CD1 4.11Å; F175-L181 HydrophobicContact CG-CB 4.22Å; F175-H184 HydrophobicContact CE1-CB 4Å; F175-H184 HydrophobicContact CE2-CB 4.11Å; F175-H184 AromaticContact CE2-CD2 3.39Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.3Å; F175-H184 AromaticContact CE2-CG 3.94Å; F175-H184 HydrophobicContact CZ-CB 3.61Å; F175-H184 AromaticContact CZ-CD2 3.23Å; F175-H184 WeakPolarHBondContact CZ-CD2 3.24Å; F175-H184 AromaticContact CZ-CG 3.39Å; F175-H184 AromaticContact CZ-NE2 3.95Å
176	A	59.6	Low	69	Low	72 Å²	72	81 Å²	81	60%	0.595	44%	0.438	S	S	*	.	S	Bend	trans	-67.2	-30.3	-178.5	0	0	0	0	0	112.5
177	Q	64	Low	69.4	Low	119 Å²	119	80.4 Å²	80.4	56%	0.556	44%	0.441	S	S	*	.	S	Bend	trans	-124	148.6	-178.6	-60.4	179.8	-6.6	0	0	112	F175 D179 Q180 L181	F175-Q177 VanDerWaalsContact C-N 3.28Å; F175-Q177 PolarHBondContact O-N 3.24Å; Q177-D179 VanDerWaalsContact C-N 3.32Å; Q177-D179 PolarHBondContact O-N 3.44Å; Q177-Q180 HydrophobicContact CB-CG 4.1Å; Q177-Q180 WeakPolarHBondContact O-CB 3.47Å; Q177-Q180 PolarHBondContact O-N 2.86Å; Q177-L181 PolarHBondContact O-N 3.3Å
178	W	54.2	Low	69.8	Low	144 Å²	144	77.3 Å²	77.3	55%	0.545	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-38.1	-178.4	177.7	-97.8	0	0	0	112.3	F166 Q180 L181 V182	F166-W178 HydrophobicContact CB-CE3 4.27Å; F166-W178 AromaticContact CD1-CE3 3.52Å; F166-W178 HydrophobicContact CD1-CE3 3.52Å; F166-W178 HydrophobicContact CD1-CZ3 4.09Å; F166-W178 HydrophobicContact CD2-CB 4.21Å; F166-W178 AromaticContact CE1-CE3 3.94Å; F166-W178 HydrophobicContact CE1-CE3 3.94Å; F166-W178 HydrophobicContact CE2-CB 4.05Å; F166-W178 AromaticContact CG-CE3 3.92Å; F166-W178 HydrophobicContact CG-CE3 3.92Å; F166-W178 HydrophobicContact CZ-CB 4.22Å; W178-Q180 VanDerWaalsContact C-N 3.32Å; W178-Q180 PolarHBondContact O-N 2.76Å; W178-L181 HydrophobicContact CE3-CD2 4.2Å; W178-L181 HydrophobicContact CZ3-CD2 3.99Å; W178-L181 WeakPolarHBondContact O-CB 3.5Å; W178-L181 PolarHBondContact O-N 2.84Å; W178-L181 VanDerWaalsContact O-N 3.15Å; W178-V182 HydrophobicContact CG-CG2 4.48Å; W178-V182 HydrophobicContact CZ2-CG2 4.42Å; W178-V182 WeakPolarHBondContact O-CG2 3.35Å; W178-V182 PolarHBondContact O-N 3.15Å
179	D	66.6	Low	69.6	Low	118 Å²	118	81.5 Å²	81.5	63%	0.631	45%	0.45	S	S	*	.	H	α-helix	trans	-73.1	-26.2	-176.6	-57.5	-57.9	0	0	0	112.5	Q177 V182 A183	Q177-D179 VanDerWaalsContact C-N 3.32Å; Q177-D179 PolarHBondContact O-N 3.44Å; D179-V182 PolarHBondContact O-N 3.46Å; D179-A183 WeakPolarHBondContact O-CB 3.26Å; D179-A183 PolarHBondContact O-N 2.98Å
180	Q	65.8	Low	69.6	Low	84 Å²	84	80.3 Å²	80.3	39%	0.393	43%	0.432	S	S	.	.	H	α-helix	trans	-64.2	-44.2	167.4	-64.9	170.4	-25.9	0	0	111.1	F175 Q177 W178 V182 A183 H184	F175-Q180 HydrophobicContact CB-CB 4.09Å; F175-Q180 HydrophobicContact CD1-CB 3.92Å; F175-Q180 HydrophobicContact CG-CB 4.32Å; Q177-Q180 HydrophobicContact CB-CG 4.1Å; Q177-Q180 WeakPolarHBondContact O-CB 3.47Å; Q177-Q180 PolarHBondContact O-N 2.86Å; W178-Q180 VanDerWaalsContact C-N 3.32Å; W178-Q180 PolarHBondContact O-N 2.76Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.46Å; Q180-A183 PolarHBondContact O-N 3.45Å; Q180-H184 WeakPolarHBondContact O-CB 2.97Å; Q180-H184 PolarHBondContact O-N 3.28Å
181	L	69.6	Low	69.5	Low	8 Å²	8	79.7 Å²	79.7	4%	0.042	43%	0.426	C	S	.	.	H	α-helix	trans	-63.7	-38.6	173.3	173.3	62.4	0	0	0	111.8	F166 C168 F175 Q177 W178 H184 K185	F166-L181 HydrophobicContact CB-CB 4.25Å; F166-L181 HydrophobicContact CB-CD2 3.65Å; C168-L181 HydrophobicContact CB-CD1 3.44Å; C168-L181 VanDerWaalsContact CB-CD1 3.44Å; F175-L181 HydrophobicContact CB-CB 4.17Å; F175-L181 HydrophobicContact CD2-CB 4.01Å; F175-L181 HydrophobicContact CD2-CD1 3.83Å; F175-L181 HydrophobicContact CE2-CD1 4.11Å; F175-L181 HydrophobicContact CG-CB 4.22Å; Q177-L181 PolarHBondContact O-N 3.3Å; W178-L181 HydrophobicContact CE3-CD2 4.2Å; W178-L181 HydrophobicContact CZ3-CD2 3.99Å; W178-L181 WeakPolarHBondContact O-CB 3.5Å; W178-L181 PolarHBondContact O-N 2.84Å; W178-L181 VanDerWaalsContact O-N 3.15Å; L181-H184 PolarHBondContact O-N 3.43Å; L181-K185 HydrophobicContact CD1-CD 4.21Å; L181-K185 HydrophobicContact CD1-CG 4.1Å; L181-K185 HydrophobicContact CG-CD 4.44Å; L181-K185 WeakPolarHBondContact O-CB 3.43Å; L181-K185 WeakPolarHBondContact O-CG 3.49Å; L181-K185 PolarHBondContact O-N 3.02Å
182	V	73.4	Confident	68.9	Low	46 Å²	46	79.8 Å²	79.8	28%	0.279	43%	0.43	S	S	.	.	H	α-helix	trans	-66.5	-40.4	176.4	171.1	0	0	0	0	111.3	W178 D179 Q180 R186	W178-V182 HydrophobicContact CG-CG2 4.48Å; W178-V182 HydrophobicContact CZ2-CG2 4.42Å; W178-V182 WeakPolarHBondContact O-CG2 3.35Å; W178-V182 PolarHBondContact O-N 3.15Å; D179-V182 PolarHBondContact O-N 3.46Å; Q180-V182 VanDerWaalsContact C-N 3.34Å; Q180-V182 PolarHBondContact O-N 3.46Å; V182-R186 WeakPolarHBondContact O-CG 3.46Å; V182-R186 PolarHBondContact O-N 3.33Å
183	A	74.3	Confident	68.6	Low	54 Å²	54	82.3 Å²	82.3	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-49.6	173.6	0	0	0	0	0	111.1	D179 Q180 K185 R186	D179-A183 WeakPolarHBondContact O-CB 3.26Å; D179-A183 PolarHBondContact O-N 2.98Å; Q180-A183 PolarHBondContact O-N 3.45Å; A183-K185 VanDerWaalsContact C-N 3.34Å; A183-K185 PolarHBondContact O-N 3.44Å; A183-R186 WeakPolarHBondContact O-CB 3.49Å; A183-R186 PolarHBondContact O-N 3.06Å
184	H	76.8	Confident	67.9	Low	31 Å²	31	80.8 Å²	80.8	14%	0.144	43%	0.43	C	S	.	.	H	α-helix	trans	-60.6	-40.4	178.1	-179.4	52.6	0	0	0	112.8	C171 F175 Q180 L181 R186 V187 H188	C171-H184 PolarHBondContact SG-NE2 2.87Å; F175-H184 HydrophobicContact CE1-CB 4Å; F175-H184 HydrophobicContact CE2-CB 4.11Å; F175-H184 AromaticContact CE2-CD2 3.39Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.3Å; F175-H184 AromaticContact CE2-CG 3.94Å; F175-H184 HydrophobicContact CZ-CB 3.61Å; F175-H184 AromaticContact CZ-CD2 3.23Å; F175-H184 WeakPolarHBondContact CZ-CD2 3.24Å; F175-H184 AromaticContact CZ-CG 3.39Å; F175-H184 AromaticContact CZ-NE2 3.95Å; Q180-H184 WeakPolarHBondContact O-CB 2.97Å; Q180-H184 PolarHBondContact O-N 3.28Å; L181-H184 PolarHBondContact O-N 3.43Å; H184-R186 PolarHBondContact O-N 2.87Å; H184-V187 VanDerWaalsContact O-CB 3.3Å; H184-V187 WeakPolarHBondContact O-CB 3.38Å; H184-V187 WeakPolarHBondContact O-CG2 3.19Å; H184-V187 PolarHBondContact O-N 2.87Å; H184-H188 AromaticContact CE1-NE2 3.96Å; H184-H188 AromaticContact NE2-NE2 3.65Å
185	K	73.4	Confident	67.4	Low	73 Å²	73	83.8 Å²	83.8	32%	0.317	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-14.8	174.7	-80	-173.4	174.1	-96.5	0	114.5	N170 L181 A183 V189	N170-K185 PolarHBondContact OD1-NZ 3.26Å; L181-K185 HydrophobicContact CD1-CD 4.21Å; L181-K185 HydrophobicContact CD1-CG 4.1Å; L181-K185 HydrophobicContact CG-CD 4.44Å; L181-K185 WeakPolarHBondContact O-CB 3.43Å; L181-K185 WeakPolarHBondContact O-CG 3.49Å; L181-K185 PolarHBondContact O-N 3.02Å; A183-K185 VanDerWaalsContact C-N 3.34Å; A183-K185 PolarHBondContact O-N 3.44Å; K185-V189 WeakPolarHBondContact O-CG2 3.49Å; K185-V189 PolarHBondContact O-N 3.35Å
186	R	78.1	Confident	66.7	Low	181 Å²	181	84.5 Å²	84.5	68%	0.683	45%	0.449	S	S	*	.	H	α-helix	trans	-74.7	-26.8	169.6	-67.7	170.9	-173.8	-177.9	2.3	112.1	V182 A183 H184 V189 A190	V182-R186 WeakPolarHBondContact O-CG 3.46Å; V182-R186 PolarHBondContact O-N 3.33Å; A183-R186 WeakPolarHBondContact O-CB 3.49Å; A183-R186 PolarHBondContact O-N 3.06Å; H184-R186 PolarHBondContact O-N 2.87Å; R186-V189 PolarHBondContact O-N 2.98Å; R186-A190 PolarHBondContact O-N 3.44Å
187	V	74.6	Confident	66.4	Low	69 Å²	69	83.4 Å²	83.4	42%	0.418	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-52.5	176.1	-170.3	0	0	0	0	109.4	H184 V189 A190 E191	H184-V187 VanDerWaalsContact O-CB 3.3Å; H184-V187 WeakPolarHBondContact O-CB 3.38Å; H184-V187 WeakPolarHBondContact O-CG2 3.19Å; H184-V187 PolarHBondContact O-N 2.87Å; V187-V189 PolarHBondContact O-N 3.1Å; V187-V189 VanDerWaalsContact O-N 3.12Å; V187-A190 CarbonylContact O-C 3.56Å; V187-A190 WeakPolarHBondContact O-CA 3.24Å; V187-A190 WeakPolarHBondContact O-CB 3.26Å; V187-A190 PolarHBondContact O-N 3.26Å; V187-E191 HydrophobicContact CG1-CG 4.31Å; V187-E191 WeakPolarHBondContact CG1-OE1 3.47Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3.2Å
188	H	72.8	Confident	65.9	Low	44 Å²	44	81.6 Å²	81.6	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-22.8	173.9	-60.9	-35	0	0	0	115.4	C171 H184 E191 A192	C171-H188 PolarHBondContact SG-NE2 3.05Å; H184-H188 AromaticContact CE1-NE2 3.96Å; H184-H188 AromaticContact NE2-NE2 3.65Å; H188-E191 WeakPolarHBondContact CA-OE2 3.34Å; H188-E191 IonicContact CE1-OE2 3.46Å; H188-E191 IonicContact CG-OE2 3.67Å; H188-E191 PolarHBondContact N-OE2 3.29Å; H188-E191 IonicContact ND1-OE2 3.85Å; H188-E191 PolarHBondContact ND1-OE2 3.27Å; H188-A192 VanDerWaalsContact O-CB 3.31Å; H188-A192 WeakPolarHBondContact O-CB 3.27Å; H188-A192 PolarHBondContact O-N 2.9Å
189	V	68.6	Low	66	Low	89 Å²	89	83.8 Å²	83.8	54%	0.539	46%	0.458	S	S	.	.	H	α-helix	trans	-83.8	-32	173.8	172.8	0	0	0	0	111.1	K185 R186 V187 L193	K185-V189 WeakPolarHBondContact O-CG2 3.49Å; K185-V189 PolarHBondContact O-N 3.35Å; R186-V189 PolarHBondContact O-N 2.98Å; V187-V189 PolarHBondContact O-N 3.1Å; V187-V189 VanDerWaalsContact O-N 3.12Å; V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 VanDerWaalsContact O-CB 3.31Å; V189-L193 WeakPolarHBondContact O-CB 3.39Å; V189-L193 WeakPolarHBondContact O-CD1 3.4Å; V189-L193 WeakPolarHBondContact O-CG 3.35Å; V189-L193 PolarHBondContact O-N 3.44Å
190	A	66.8	Low	65.2	Low	49 Å²	49	81.7 Å²	81.7	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-69.9	-50.4	171.2	0	0	0	0	0	110.8	R186 V187 A192 L193 E194	R186-A190 PolarHBondContact O-N 3.44Å; V187-A190 CarbonylContact O-C 3.56Å; V187-A190 WeakPolarHBondContact O-CA 3.24Å; V187-A190 WeakPolarHBondContact O-CB 3.26Å; V187-A190 PolarHBondContact O-N 3.26Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.45Å; A190-L193 CarbonylContact O-C 3.55Å; A190-L193 WeakPolarHBondContact O-CA 3.43Å; A190-L193 PolarHBondContact O-N 3.38Å; A190-E194 WeakPolarHBondContact O-CG 3.24Å; A190-E194 PolarHBondContact O-N 2.97Å
191	E	64.8	Low	63.9	Low	102 Å²	102	85.8 Å²	85.8	48%	0.477	48%	0.481	S	S	.	.	H	α-helix	trans	-50	-51.6	175.6	-69	164.8	161.4	0	0	111.3	V187 H188 L193 E194 E195	V187-E191 HydrophobicContact CG1-CG 4.31Å; V187-E191 WeakPolarHBondContact CG1-OE1 3.47Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3.2Å; H188-E191 WeakPolarHBondContact CA-OE2 3.34Å; H188-E191 IonicContact CE1-OE2 3.46Å; H188-E191 IonicContact CG-OE2 3.67Å; H188-E191 PolarHBondContact N-OE2 3.29Å; H188-E191 IonicContact ND1-OE2 3.85Å; H188-E191 PolarHBondContact ND1-OE2 3.27Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 2.87Å; E191-E194 PolarHBondContact O-N 3.48Å; E191-E195 PolarHBondContact O-N 2.9Å
192	A	61.5	Low	62.4	Low	53 Å²	53	87.9 Å²	87.9	44%	0.438	51%	0.505	S	S	.	.	H	α-helix	trans	-71.4	-15.8	178.1	0	0	0	0	0	114.8	H188 A190 A196	H188-A192 VanDerWaalsContact O-CB 3.31Å; H188-A192 WeakPolarHBondContact O-CB 3.27Å; H188-A192 PolarHBondContact O-N 2.9Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.45Å; A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.22Å
193	L	64.9	Low	60.8	Low	107 Å²	107	92.2 Å²	92.2	56%	0.56	53%	0.534	S	S	*	.	H	α-helix	trans	-87.9	-34	172.6	-78.6	170.8	0	0	0	111.8	V189 A190 E191 A196 A197	V189-L193 HydrophobicContact CG1-CD1 3.99Å; V189-L193 VanDerWaalsContact O-CB 3.31Å; V189-L193 WeakPolarHBondContact O-CB 3.39Å; V189-L193 WeakPolarHBondContact O-CD1 3.4Å; V189-L193 WeakPolarHBondContact O-CG 3.35Å; V189-L193 PolarHBondContact O-N 3.44Å; A190-L193 CarbonylContact O-C 3.55Å; A190-L193 WeakPolarHBondContact O-CA 3.43Å; A190-L193 PolarHBondContact O-N 3.38Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 2.87Å; L193-A196 PolarHBondContact O-N 3.42Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.19Å; L193-A197 PolarHBondContact O-N 3.26Å
194	E	60	Low	59	Low	135 Å²	135	100.7 Å²	100.7	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-68.4	-42.9	172	-64.5	-54.5	139.6	0	0	110.9	A190 E191 A196 A197 A198	A190-E194 WeakPolarHBondContact O-CG 3.24Å; A190-E194 PolarHBondContact O-N 2.97Å; E191-E194 PolarHBondContact O-N 3.48Å; E194-A196 PolarHBondContact O-N 2.95Å; E194-A197 PolarHBondContact O-N 3.15Å; E194-A197 VanDerWaalsContact O-N 3.16Å; E194-A198 WeakPolarHBondContact O-CB 3.21Å; E194-A198 PolarHBondContact O-N 3.13Å
195	E	56.3	Low	56.9	Low	142 Å²	142	105.2 Å²	105.2	66%	0.664	59%	0.586	S	S	*	*	H	α-helix	trans	-56.9	-37.9	169.8	-79.7	-163.9	107.8	0	0	112.6	E191	E191-E195 PolarHBondContact O-N 2.9Å
196	A	54.4	Low	55.3	Low	55 Å²	55	113.7 Å²	113.7	46%	0.455	62%	0.616	S	S	.	*	H	α-helix	trans	-75.2	-32.5	178	0	0	0	0	0	112.6	A192 L193 E194	A192-A196 WeakPolarHBondContact O-CB 3.5Å; A192-A196 PolarHBondContact O-N 3.22Å; L193-A196 PolarHBondContact O-N 3.42Å; E194-A196 PolarHBondContact O-N 2.95Å
197	A	52.8	Low	53.3	Low	49 Å²	49	108.8 Å²	108.8	41%	0.405	62%	0.622	S	S	.	*	H	α-helix	trans	-73.7	-42.1	177.3	0	0	0	0	0	111.9	L193 E194 K199 A200	L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.19Å; L193-A197 PolarHBondContact O-N 3.26Å; E194-A197 PolarHBondContact O-N 3.15Å; E194-A197 VanDerWaalsContact O-N 3.16Å; A197-K199 PolarHBondContact O-N 3.39Å; A197-K199 VanDerWaalsContact O-N 3.16Å; A197-A200 PolarHBondContact O-N 2.96Å
198	A	54.8	Low	51.1	Low	81 Å²	81	117.2 Å²	117.2	67%	0.669	65%	0.646	S	S	*	*	H	α-helix	trans	-57.7	-27.7	175.2	0	0	0	0	0	112.8	E194	E194-A198 WeakPolarHBondContact O-CB 3.21Å; E194-A198 PolarHBondContact O-N 3.13Å
199	K	55.8	Low	49.4	Very low	190 Å²	190	120.9 Å²	120.9	83%	0.826	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	0.7	176.1	-97.5	170.3	177.5	159.3	0	115.5	A197	A197-K199 PolarHBondContact O-N 3.39Å; A197-K199 VanDerWaalsContact O-N 3.16Å
200	A	49.8	Very low	47.7	Very low	74 Å²	74	121 Å²	121	61%	0.612	68%	0.684	S	S	*	*			trans	-133.5	25.8	-162.1	0	0	0	0	0	115.8	A197 G202	A197-A200 PolarHBondContact O-N 2.96Å; A200-G202 PolarHBondContact O-N 2.93Å
201	L	39.3	Very low	46	Very low	169 Å²	169	125.7 Å²	125.7	89%	0.885	71%	0.707	S	S	*	*			trans	-81.9	109.1	-178	-76	172.9	0	0	0	113.8
202	G	36.2	Very low	44.6	Very low	53 Å²	53	126.8 Å²	126.8	55%	0.546	72%	0.721	S	S	.	*			trans	-143.9	150.9	160.6	0	0	0	0	0	109.2	A200	A200-G202 PolarHBondContact O-N 2.93Å
203	P	41.6	Very low	43.4	Very low	137 Å²	137	128.4 Å²	128.4	89%	0.89	74%	0.735	S	S	*	*			trans	-70.3	144.5	-161.8	26	-34.6	0	0	0	114.5
204	R	36.2	Very low	42	Very low	232 Å²	232	129.5 Å²	129.5	88%	0.875	75%	0.748	S	S	*	*			trans	-111.2	134	176.9	-82.3	-176.5	165.2	-164.3	-1.3	112.3
205	P	32.7	Very low	40.7	Very low	125 Å²	125	134.3 Å²	134.3	81%	0.812	76%	0.761	S	S	*	*			trans	-72.1	158.7	155	32.1	-32.9	0	0	0	111
206	R	40	Very low	40.1	Very low	252 Å²	252	134.2 Å²	134.2	95%	0.951	77%	0.772	S	S	*	*			trans	-99.7	149	-173.4	-62	177.4	178.9	175.3	-0.8	112.8
207	G	35	Very low	39.2	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	78%	0.784	S	S	*	*			trans	104.6	104.7	141	0	0	0	0	0	119.7
208	R	29	Very low	38.8	Very low	246 Å²	246	136.3 Å²	136.3	93%	0.928	80%	0.804	S	S	*	*				-154.7	156.3	126.4	-110	-162.7	168.1	-154.4	-4.7	110.1
209	P	37.6	Very low	38.3	Very low	121 Å²	121	138 Å²	138	79%	0.786	80%	0.801	S	S	*	*			trans	-84	175	-160.2	33.7	-37.5	0	0	0	114.9
210	A	32.7	Very low	37.8	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.1	142.3	-172.4	0	0	0	0	0	114.7	T212	A210-T212 PolarHBondContact O-N 3.41Å
211	V	31.3	Very low	38	Very low	147 Å²	147	134.8 Å²	134.8	89%	0.891	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73	123.3	163.6	177.7	0	0	0	0	108.5
212	T	34.3	Very low	38.9	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.3	143.4	179.8	42.9	0	0	0	0	112.3	A210	A210-T212 PolarHBondContact O-N 3.41Å
213	A	37.7	Very low	40.1	Very low	87 Å²	87	133.1 Å²	133.1	72%	0.719	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-68.4	138.2	179.2	0	0	0	0	0	111.5	R215	A213-R215 PolarHBondContact O-N 2.89Å
214	P	34.2	Very low	41.6	Very low	129 Å²	129	130.5 Å²	130.5	84%	0.838	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.4	174.5	-20.5	32.6	0	0	0	111.5
215	R	32	Very low	43.5	Very low	237 Å²	237	122.7 Å²	122.7	89%	0.894	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.6	141.6	176.1	-59.6	174	83.3	178.2	6	110.3	A213 G217	A213-R215 PolarHBondContact O-N 2.89Å; R215-G217 PolarHBondContact O-N 2.95Å
216	P	43.7	Very low	45.2	Very low	140 Å²	140	122.2 Å²	122.2	91%	0.909	71%	0.709	S	S	*	*			trans	-76.8	104.5	-177.6	29.9	-34.2	0	0	0	111.9
217	G	36.4	Very low	46.7	Very low	67 Å²	67	110.3 Å²	110.3	69%	0.691	67%	0.665	S	S	*	*			trans	-109.7	127.1	176.7	0	0	0	0	0	114.2	R215 D219	R215-G217 PolarHBondContact O-N 2.95Å; G217-D219 PolarHBondContact O-N 2.97Å
218	G	43.8	Very low	48.2	Very low	81 Å²	81	111.9 Å²	111.9	84%	0.835	67%	0.67	S	S	*	*	S	Bend	trans	64.9	-62	154.2	0	0	0	0	0	119.6	A220	G218-A220 PolarHBondContact O-N 3.26Å
219	D	44.3	Very low	49.8	Very low	115 Å²	115	103.9 Å²	103.9	62%	0.615	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	20.7	-154.3	-95.5	2.5	0	0	0	115.8	G217 V221 R223	G217-D219 PolarHBondContact O-N 2.97Å; D219-V221 PolarHBondContact O-N 3.33Å; D219-R223 IonicContact OD2-NH1 3.69Å
220	A	47.1	Very low	51.1	Low	59 Å²	59	100.6 Å²	100.6	49%	0.488	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-28.6	-166.2	0	0	0	0	0	115	G218 R233	G218-A220 PolarHBondContact O-N 3.26Å; A220-R233 PolarHBondContact O-NH2 3.2Å
221	V	54.1	Low	52.8	Low	139 Å²	139	98 Å²	98	84%	0.842	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-39.8	-163.9	-175.3	0	0	0	0	113.6	D219	D219-V221 PolarHBondContact O-N 3.33Å
222	D	57.4	Low	54.6	Low	71 Å²	71	97 Å²	97	38%	0.38	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-13.1	-173.2	-171.4	59.9	0	0	0	114.3	P224 R235	D222-P224 WeakPolarHBondContact O-CD 3.41Å; D222-R235 WeakPolarHBondContact O-CG 3.44Å; D222-R235 IonicContact OD1-CZ 3.86Å; D222-R235 IonicContact OD1-NE 3.01Å; D222-R235 PolarHBondContact OD1-NE 3.32Å; D222-R235 IonicContact OD1-NH2 3.82Å; D222-R235 PolarHBondContact OD1-NH2 2.84Å; D222-R235 WeakPolarHBondContact OD2-CD 3.3Å; D222-R235 IonicContact OD2-CZ 2.93Å; D222-R235 IonicContact OD2-NE 3.53Å; D222-R235 PolarHBondContact OD2-NE 2.83Å; D222-R235 IonicContact OD2-NH2 2.77Å
223	R	61.5	Low	56.4	Low	116 Å²	116	96.2 Å²	96.2	44%	0.438	58%	0.579	S	S	.	*			trans	-127.2	71.6	-173.8	-58.1	-177.3	-166.4	146.1	12.1	112.8	D219 F225 R233 F234	D219-R223 IonicContact OD2-NH1 3.69Å; R223-F225 PolarHBondContact O-N 2.87Å; R223-R233 HydrophobicContact CB-CB 3.96Å; R223-R233 PolarHBondContact O-NE 2.95Å; R223-R233 PolarHBondContact O-NH2 3.31Å; R223-F234 CarbonylContact C-O 3.56Å
224	P	73.5	Confident	58.3	Low	82 Å²	82	94.2 Å²	94.2	53%	0.532	56%	0.555	S	S	.	*			trans	-80.2	-8.8	-174.7	31.6	-36.1	0	0	0	115	D222	D222-P224 WeakPolarHBondContact O-CD 3.41Å
225	F	74.3	Confident	60.3	Low	68 Å²	68	94.7 Å²	94.7	30%	0.298	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	96.3	-175.5	-57.9	-72.7	0	0	0	111.7	R223 F234 H236 K237 L240	R223-F225 PolarHBondContact O-N 2.87Å; F225-F234 HydrophobicContact CB-CB 4.3Å; F225-F234 WeakPolarHBondContact CB-O 3.46Å; F225-F234 PolarHBondContact N-O 3.31Å; F225-F234 VanDerWaalsContact N-O 3.15Å; F225-F234 PolarHBondContact O-N 2.97Å; F225-H236 VanDerWaalsContact CD2-C 3.41Å; F225-K237 HydrophobicContact CD1-CB 3.8Å; F225-K237 HydrophobicContact CD1-CD 4.42Å; F225-K237 HydrophobicContact CD1-CG 4.01Å; F225-K237 HydrophobicContact CD2-CB 4.42Å; F225-K237 HydrophobicContact CE1-CB 3.67Å; F225-K237 HydrophobicContact CE1-CD 4.09Å; F225-K237 HydrophobicContact CE1-CG 4.05Å; F225-K237 HydrophobicContact CE2-CB 4.3Å; F225-K237 HydrophobicContact CG-CB 4.18Å; F225-K237 HydrophobicContact CZ-CB 3.93Å; F225-L240 HydrophobicContact CB-CB 4.1Å; F225-L240 HydrophobicContact CB-CD2 3.88Å
226	Q	70.1	Confident	62.3	Low	115 Å²	115	88.1 Å²	88.1	54%	0.537	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.8	-179.4	-164.3	170.8	18.9	0	0	113.4	G231 K232 R233 L240	Q226-G231 VanDerWaalsContact CG-O 3.29Å; Q226-G231 WeakPolarHBondContact CG-O 3.48Å; Q226-G231 PolarHBondContact NE2-O 2.88Å; Q226-K232 CarbonylContact C-O 3.42Å; Q226-K232 WeakPolarHBondContact CA-O 3.49Å; Q226-R233 HydrophobicContact CB-CG 4.19Å; Q226-R233 HydrophobicContact CG-CG 3.9Å; Q226-L240 VanDerWaalsContact O-CD2 3.26Å; Q226-L240 WeakPolarHBondContact O-CD2 3.49Å
227	C	70.8	Confident	63.8	Low	1 Å²	1	87.7 Å²	87.7	1%	0.007	50%	0.503	C	S	.	.			trans	-89.4	111.2	170.2	-168.1	0	0	0	0	111.1	C229 C230 G231 K232 F234 L240	C227-C229 PolarHBondContact O-N 3Å; C227-C229 VanDerWaalsContact O-N 3.17Å; C227-C230 PolarHBondContact O-N 3.16Å; C227-G231 WeakPolarHBondContact O-CA 3.26Å; C227-G231 PolarHBondContact O-N 3.01Å; C227-K232 PolarHBondContact N-O 3.06Å; C227-F234 HydrophobicContact CB-CE2 4.44Å; C227-L240 HydrophobicContact CB-CD1 3.59Å
228	A	65.9	Low	65.4	Low	110 Å²	110	88.7 Å²	88.7	91%	0.909	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.7	175.9	0	0	0	0	0	113.4	C230	A228-C230 PolarHBondContact O-N 2.88Å
229	C	62.4	Low	66.9	Low	79 Å²	79	88.6 Å²	88.6	53%	0.534	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.4	-176	-50.5	0	0	0	0	114.8	C227	C227-C229 PolarHBondContact O-N 3Å; C227-C229 VanDerWaalsContact O-N 3.17Å
230	C	65.4	Low	68.2	Low	51 Å²	51	84.2 Å²	84.2	35%	0.345	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.8	23	178.3	68.8	0	0	0	0	115.3	C227 A228 K232 H243 H247	C227-C230 PolarHBondContact O-N 3.16Å; A228-C230 PolarHBondContact O-N 2.88Å; C230-K232 PolarHBondContact O-N 2.9Å; C230-H243 PolarHBondContact SG-NE2 3.27Å; C230-H247 PolarHBondContact SG-NE2 3.33Å; C230-H247 VanDerWaalsContact SG-NE2 3.41Å
231	G	67.9	Low	69.3	Low	39 Å²	39	85.2 Å²	85.2	40%	0.402	45%	0.45	S	S	.	.			trans	68.9	-11.4	175.2	0	0	0	0	0	117.3	Q226 C227 R233	Q226-G231 VanDerWaalsContact CG-O 3.29Å; Q226-G231 WeakPolarHBondContact CG-O 3.48Å; Q226-G231 PolarHBondContact NE2-O 2.88Å; C227-G231 WeakPolarHBondContact O-CA 3.26Å; C227-G231 PolarHBondContact O-N 3.01Å; G231-R233 PolarHBondContact O-N 3.37Å
232	K	69.8	Low	69.9	Low	124 Å²	124	79.1 Å²	79.1	54%	0.539	41%	0.414	S	S	.	.			trans	-64.7	129.4	-171.9	-69	174.8	-170.4	167.5	0	112.7	Q226 C227 C230 F234	Q226-K232 CarbonylContact C-O 3.42Å; Q226-K232 WeakPolarHBondContact CA-O 3.49Å; C227-K232 PolarHBondContact N-O 3.06Å; C230-K232 PolarHBondContact O-N 2.9Å; K232-F234 HydrophobicContact CB-CE2 3.75Å; K232-F234 HydrophobicContact CB-CZ 4.12Å; K232-F234 WeakPolarHBondContact O-CD2 3.32Å; K232-F234 VanDerWaalsContact O-CE2 3.31Å; K232-F234 WeakPolarHBondContact O-CE2 3.5Å
233	R	72.3	Confident	70.6	Confident	110 Å²	110	76.9 Å²	76.9	42%	0.415	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.9	-177.6	-62.7	-178.2	65.6	162.8	0.8	112.3	A220 R223 Q226 G231	A220-R233 PolarHBondContact O-NH2 3.2Å; R223-R233 HydrophobicContact CB-CB 3.96Å; R223-R233 PolarHBondContact O-NE 2.95Å; R223-R233 PolarHBondContact O-NH2 3.31Å; Q226-R233 HydrophobicContact CB-CG 4.19Å; Q226-R233 HydrophobicContact CG-CG 3.9Å; G231-R233 PolarHBondContact O-N 3.37Å
234	F	77.5	Confident	70.7	Confident	45 Å²	45	77.9 Å²	77.9	20%	0.197	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.4	-175.2	-63.9	-93.7	0	0	0	112	R223 F225 C227 K232 H236 N239 L240 H243	R223-F234 CarbonylContact C-O 3.56Å; F225-F234 HydrophobicContact CB-CB 4.3Å; F225-F234 WeakPolarHBondContact CB-O 3.46Å; F225-F234 PolarHBondContact N-O 3.31Å; F225-F234 VanDerWaalsContact N-O 3.15Å; F225-F234 PolarHBondContact O-N 2.97Å; C227-F234 HydrophobicContact CB-CE2 4.44Å; K232-F234 HydrophobicContact CB-CE2 3.75Å; K232-F234 HydrophobicContact CB-CZ 4.12Å; K232-F234 WeakPolarHBondContact O-CD2 3.32Å; K232-F234 VanDerWaalsContact O-CE2 3.31Å; K232-F234 WeakPolarHBondContact O-CE2 3.5Å; F234-H236 VanDerWaalsContact C-N 3.33Å; F234-H236 PolarHBondContact O-N 3.33Å; F234-N239 HydrophobicContact CB-CB 4.4Å; F234-N239 HydrophobicContact CD1-CB 3.88Å; F234-N239 HydrophobicContact CG-CB 4.46Å; F234-L240 HydrophobicContact CB-CB 4.35Å; F234-L240 HydrophobicContact CD2-CB 4.13Å; F234-L240 HydrophobicContact CD2-CD1 4.07Å; F234-L240 HydrophobicContact CE2-CD1 4.31Å; F234-L240 HydrophobicContact CG-CB 4.33Å; F234-H243 HydrophobicContact CE1-CB 4.01Å; F234-H243 HydrophobicContact CE2-CB 4.11Å; F234-H243 AromaticContact CE2-CD2 3.18Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.44Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 AromaticContact CE2-NE2 3.97Å; F234-H243 HydrophobicContact CZ-CB 3.57Å; F234-H243 AromaticContact CZ-CD2 3.21Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.39Å; F234-H243 AromaticContact CZ-CG 3.37Å; F234-H243 AromaticContact CZ-NE2 3.98Å
235	R	75.8	Confident	70.5	Confident	140 Å²	140	76.9 Å²	76.9	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-66.1	-29.9	176.4	-159.6	176.4	-159.4	-178.8	10.5	113.6	D222	D222-R235 WeakPolarHBondContact O-CG 3.44Å; D222-R235 IonicContact OD1-CZ 3.86Å; D222-R235 IonicContact OD1-NE 3.01Å; D222-R235 PolarHBondContact OD1-NE 3.32Å; D222-R235 IonicContact OD1-NH2 3.82Å; D222-R235 PolarHBondContact OD1-NH2 2.84Å; D222-R235 WeakPolarHBondContact OD2-CD 3.3Å; D222-R235 IonicContact OD2-CZ 2.93Å; D222-R235 IonicContact OD2-NE 3.53Å; D222-R235 PolarHBondContact OD2-NE 2.83Å; D222-R235 IonicContact OD2-NH2 2.77Å
236	H	75.4	Confident	69.9	Low	99 Å²	99	78.4 Å²	78.4	46%	0.458	41%	0.406	S	S	.	.	S	Bend	trans	-140.1	137.2	-173.2	-52.2	-41.5	0	0	0	112.7	F225 F234 P238 N239 L240	F225-H236 VanDerWaalsContact CD2-C 3.41Å; F234-H236 VanDerWaalsContact C-N 3.33Å; F234-H236 PolarHBondContact O-N 3.33Å; H236-P238 VanDerWaalsContact C-CD 3.44Å; H236-N239 WeakPolarHBondContact O-CB 3.33Å; H236-N239 PolarHBondContact O-N 2.98Å; H236-L240 PolarHBondContact O-N 3.23Å
237	K	73.2	Confident	69.3	Low	130 Å²	130	77 Å²	77	57%	0.565	40%	0.399	S	S	*	.	H	α-helix	trans	-51.5	-39.3	179.9	-160.6	169.6	-177.5	170.1	0	114.7	F225 N239 L240 I241	F225-K237 HydrophobicContact CD1-CB 3.8Å; F225-K237 HydrophobicContact CD1-CD 4.42Å; F225-K237 HydrophobicContact CD1-CG 4.01Å; F225-K237 HydrophobicContact CD2-CB 4.42Å; F225-K237 HydrophobicContact CE1-CB 3.67Å; F225-K237 HydrophobicContact CE1-CD 4.09Å; F225-K237 HydrophobicContact CE1-CG 4.05Å; F225-K237 HydrophobicContact CE2-CB 4.3Å; F225-K237 HydrophobicContact CG-CB 4.18Å; F225-K237 HydrophobicContact CZ-CB 3.93Å; K237-N239 VanDerWaalsContact C-N 3.28Å; K237-N239 PolarHBondContact O-N 2.86Å; K237-L240 PolarHBondContact O-N 3.17Å; K237-I241 HydrophobicContact CG-CD1 4.17Å; K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 2.89Å
238	P	72	Confident	68.7	Low	89 Å²	89	80.9 Å²	80.9	58%	0.578	42%	0.422	S	S	*	.	H	α-helix	trans	-61.6	-31.9	174.9	-25.2	36.4	0	0	0	114.1	H236 I241 A242	H236-P238 VanDerWaalsContact C-CD 3.44Å; P238-I241 PolarHBondContact O-N 3.01Å; P238-A242 VanDerWaalsContact O-CB 3.25Å; P238-A242 WeakPolarHBondContact O-CB 3.45Å; P238-A242 PolarHBondContact O-N 2.67Å
239	N	73.5	Confident	68.2	Low	79 Å²	79	78.1 Å²	78.1	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-74.4	-34.5	178.6	-63.2	-4.4	0	0	0	111.1	F234 H236 K237 H243	F234-N239 HydrophobicContact CB-CB 4.4Å; F234-N239 HydrophobicContact CD1-CB 3.88Å; F234-N239 HydrophobicContact CG-CB 4.46Å; H236-N239 WeakPolarHBondContact O-CB 3.33Å; H236-N239 PolarHBondContact O-N 2.98Å; K237-N239 VanDerWaalsContact C-N 3.28Å; K237-N239 PolarHBondContact O-N 2.86Å; N239-H243 VanDerWaalsContact O-CB 3.3Å; N239-H243 WeakPolarHBondContact O-CB 3.31Å; N239-H243 PolarHBondContact O-N 2.96Å
240	L	73	Confident	68.1	Low	22 Å²	22	78.5 Å²	78.5	12%	0.115	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-45.9	169.3	171.8	60.4	0	0	0	111.4	F225 Q226 C227 F234 H236 K237 A242 H243 R244	F225-L240 HydrophobicContact CB-CB 4.1Å; F225-L240 HydrophobicContact CB-CD2 3.88Å; Q226-L240 VanDerWaalsContact O-CD2 3.26Å; Q226-L240 WeakPolarHBondContact O-CD2 3.49Å; C227-L240 HydrophobicContact CB-CD1 3.59Å; F234-L240 HydrophobicContact CB-CB 4.35Å; F234-L240 HydrophobicContact CD2-CB 4.13Å; F234-L240 HydrophobicContact CD2-CD1 4.07Å; F234-L240 HydrophobicContact CE2-CD1 4.31Å; F234-L240 HydrophobicContact CG-CB 4.33Å; H236-L240 PolarHBondContact O-N 3.23Å; K237-L240 PolarHBondContact O-N 3.17Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 2.98Å; L240-H243 PolarHBondContact O-N 3.35Å; L240-H243 VanDerWaalsContact O-N 3.09Å; L240-R244 HydrophobicContact CD1-CG 4.27Å; L240-R244 WeakPolarHBondContact O-CG 3.32Å; L240-R244 PolarHBondContact O-N 2.91Å
241	I	70.4	Confident	68.1	Low	81 Å²	81	82.4 Å²	82.4	42%	0.415	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-44.9	177.6	-67.3	164.9	0	0	0	110.6	K237 P238 H243 R244	K237-I241 HydrophobicContact CG-CD1 4.17Å; K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 2.89Å; P238-I241 PolarHBondContact O-N 3.01Å; I241-H243 VanDerWaalsContact C-N 3.27Å; I241-H243 PolarHBondContact O-N 2.93Å; I241-R244 PolarHBondContact O-N 3.13Å
242	A	66.4	Low	68.2	Low	10 Å²	10	83.5 Å²	83.5	8%	0.083	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-36.6	172.7	0	0	0	0	0	113.9	P238 L240 R245 N264	P238-A242 VanDerWaalsContact O-CB 3.25Å; P238-A242 WeakPolarHBondContact O-CB 3.45Å; P238-A242 PolarHBondContact O-N 2.67Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 2.98Å; A242-R245 WeakPolarHBondContact O-CB 3.46Å; A242-N264 WeakPolarHBondContact CB-ND2 3.34Å; A242-N264 WeakPolarHBondContact CB-OD1 3.47Å
243	H	71.1	Confident	68.4	Low	24 Å²	24	80 Å²	80	11%	0.111	39%	0.392	C	S	.	.	H	α-helix	trans	-77.6	-34.5	179.2	167.5	46.9	0	0	0	112.6	C230 F234 N239 L240 I241 R245 V246 H247	C230-H243 PolarHBondContact SG-NE2 3.27Å; F234-H243 HydrophobicContact CE1-CB 4.01Å; F234-H243 HydrophobicContact CE2-CB 4.11Å; F234-H243 AromaticContact CE2-CD2 3.18Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.44Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 AromaticContact CE2-NE2 3.97Å; F234-H243 HydrophobicContact CZ-CB 3.57Å; F234-H243 AromaticContact CZ-CD2 3.21Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.39Å; F234-H243 AromaticContact CZ-CG 3.37Å; F234-H243 AromaticContact CZ-NE2 3.98Å; N239-H243 VanDerWaalsContact O-CB 3.3Å; N239-H243 WeakPolarHBondContact O-CB 3.31Å; N239-H243 PolarHBondContact O-N 2.96Å; L240-H243 PolarHBondContact O-N 3.35Å; L240-H243 VanDerWaalsContact O-N 3.09Å; I241-H243 VanDerWaalsContact C-N 3.27Å; I241-H243 PolarHBondContact O-N 2.93Å; H243-R245 PolarHBondContact O-N 2.87Å; H243-V246 VanDerWaalsContact O-CB 3.23Å; H243-V246 WeakPolarHBondContact O-CB 3.45Å; H243-V246 WeakPolarHBondContact O-CG2 3.28Å; H243-V246 PolarHBondContact O-N 3.16Å; H243-H247 AromaticContact CE1-CD2 3.97Å; H243-H247 AromaticContact CE1-NE2 3.43Å; H243-H247 PolarHBondContact CE1-NE2 3.4Å; H243-H247 AromaticContact NE2-NE2 3.7Å
244	R	64.9	Low	68.4	Low	138 Å²	138	80.1 Å²	80.1	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-56.9	-31.4	173.1	-72.7	-179.1	72.5	-124.7	3	112.3	L240 I241 V246 H247 T248	L240-R244 HydrophobicContact CD1-CG 4.27Å; L240-R244 WeakPolarHBondContact O-CG 3.32Å; L240-R244 PolarHBondContact O-N 2.91Å; I241-R244 PolarHBondContact O-N 3.13Å; R244-V246 PolarHBondContact O-N 3.47Å; R244-H247 WeakPolarHBondContact O-CA 3.14Å; R244-H247 WeakPolarHBondContact O-CB 3.13Å; R244-H247 PolarHBondContact O-N 3.3Å; R244-T248 PolarHBondContact O-N 2.85Å; R244-T248 VanDerWaalsContact O-N 3.13Å
245	R	69.6	Low	68.3	Low	60 Å²	60	78 Å²	78	23%	0.226	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-15.1	172.2	-65.4	-174.3	169.5	151.9	4.7	115.4	A242 H243 H247 T248 G249 E250 T263	A242-R245 WeakPolarHBondContact O-CB 3.46Å; H243-R245 PolarHBondContact O-N 2.87Å; R245-H247 VanDerWaalsContact C-N 3.32Å; R245-T248 WeakPolarHBondContact CA-OG1 3.39Å; R245-G249 CarbonylContact O-C 3.52Å; R245-G249 PolarHBondContact O-N 3.33Å; R245-E250 HydrophobicContact CB-CB 3.98Å; R245-E250 HydrophobicContact CG-CB 3.85Å; R245-E250 IonicContact NE-OE2 3.13Å; R245-E250 PolarHBondContact NE-OE2 2.67Å; R245-E250 PolarHBondContact O-N 2.83Å; R245-T263 HydrophobicContact CB-CG2 4.12Å; R245-T263 PolarHBondContact NH1-O 3.01Å
246	V	60	Low	68.1	Low	101 Å²	101	76.3 Å²	76.3	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-74.7	-27.9	170	-175	0	0	0	0	110.8	H243 R244	H243-V246 VanDerWaalsContact O-CB 3.23Å; H243-V246 WeakPolarHBondContact O-CB 3.45Å; H243-V246 WeakPolarHBondContact O-CG2 3.28Å; H243-V246 PolarHBondContact O-N 3.16Å; R244-V246 PolarHBondContact O-N 3.47Å
247	H	58.3	Low	67.9	Low	86 Å²	86	74.9 Å²	74.9	40%	0.398	39%	0.388	S	S	.	.	H	α-helix	trans	-86.6	-34.5	175.9	-63.3	-85.9	0	0	0	112.6	C230 H243 R244 R245	C230-H247 PolarHBondContact SG-NE2 3.33Å; C230-H247 VanDerWaalsContact SG-NE2 3.41Å; H243-H247 AromaticContact CE1-CD2 3.97Å; H243-H247 AromaticContact CE1-NE2 3.43Å; H243-H247 PolarHBondContact CE1-NE2 3.4Å; H243-H247 AromaticContact NE2-NE2 3.7Å; R244-H247 WeakPolarHBondContact O-CA 3.14Å; R244-H247 WeakPolarHBondContact O-CB 3.13Å; R244-H247 PolarHBondContact O-N 3.3Å; R245-H247 VanDerWaalsContact C-N 3.32Å
248	T	58.3	Low	67.8	Low	81 Å²	81	70.7 Å²	70.7	50%	0.497	38%	0.375	S	S	.	.	S	Bend	trans	-87.6	0.9	176.3	61.9	0	0	0	0	114.1	R244 R245 E250	R244-T248 PolarHBondContact O-N 2.85Å; R244-T248 VanDerWaalsContact O-N 3.13Å; R245-T248 WeakPolarHBondContact CA-OG1 3.39Å; T248-E250 WeakPolarHBondContact CB-OE1 3.4Å; T248-E250 PolarHBondContact O-N 3.32Å; T248-E250 VanDerWaalsContact OG1-CD 3.32Å; T248-E250 WeakPolarHBondContact OG1-CG 3.35Å; T248-E250 PolarHBondContact OG1-OE1 2.92Å
249	G	54.8	Low	67.6	Low	53 Å²	53	68.2 Å²	68.2	55%	0.546	37%	0.366	S	S	.	.			trans	68	-7.7	-176.7	0	0	0	0	0	115.6	R245 R251	R245-G249 CarbonylContact O-C 3.52Å; R245-G249 PolarHBondContact O-N 3.33Å; G249-R251 PolarHBondContact O-N 2.75Å
250	E	59.9	Low	67.4	Low	87 Å²	87	70 Å²	70	41%	0.407	37%	0.37	S	S	.	.			trans	-53.8	118.8	-176.8	-81.8	170.1	-114.3	0	0	113.2	R245 T248 P252	R245-E250 HydrophobicContact CB-CB 3.98Å; R245-E250 HydrophobicContact CG-CB 3.85Å; R245-E250 IonicContact NE-OE2 3.13Å; R245-E250 PolarHBondContact NE-OE2 2.67Å; R245-E250 PolarHBondContact O-N 2.83Å; T248-E250 WeakPolarHBondContact CB-OE1 3.4Å; T248-E250 PolarHBondContact O-N 3.32Å; T248-E250 VanDerWaalsContact OG1-CD 3.32Å; T248-E250 WeakPolarHBondContact OG1-CG 3.35Å; T248-E250 PolarHBondContact OG1-OE1 2.92Å; E250-P252 HydrophobicContact CB-CG 4.4Å
251	R	66.4	Low	67.1	Low	133 Å²	133	75.2 Å²	75.2	50%	0.502	39%	0.388	S	S	.	.			trans	-125.8	79	170.9	-63.3	166.6	75.7	157.2	1.2	108.8	G249 H253 R261 F262 T263	G249-R251 PolarHBondContact O-N 2.75Å; R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 2.89Å; R251-R261 HydrophobicContact CB-CB 3.49Å; R251-R261 VanDerWaalsContact CB-CB 3.49Å; R251-R261 VanDerWaalsContact CZ-O 3.24Å; R251-R261 PolarHBondContact NE-O 2.82Å; R251-R261 PolarHBondContact NH2-O 3.19Å; R251-R261 PolarHBondContact O-NE 3.49Å; R251-R261 PolarHBondContact O-NH2 2.83Å; R251-F262 CarbonylContact C-O 3.56Å; R251-F262 WeakPolarHBondContact CA-O 3.46Å; R251-T263 HydrophobicContact CG-CG2 4.31Å
252	P	69.5	Low	67.2	Low	61 Å²	61	73.3 Å²	73.3	40%	0.396	38%	0.377	S	S	.	.			trans	-74.9	-13	-169.5	-18.6	34.3	0	0	0	114.6	E250	E250-P252 HydrophobicContact CB-CG 4.4Å
253	H	74.5	Confident	67.3	Low	51 Å²	51	74.4 Å²	74.4	24%	0.236	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	90.6	-173.3	-57.5	-63.3	0	0	0	110.7	R251 R261 F262 T263 N264 K265 L268	R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 2.89Å; H253-R261 CarbonylContact O-C 3.36Å; H253-F262 HydrophobicContact CB-CB 4.34Å; H253-F262 PolarHBondContact N-O 3.42Å; H253-F262 PolarHBondContact O-N 3.19Å; H253-T263 PolarHBondContact CD2-O 3.4Å; H253-N264 VanDerWaalsContact CD2-CA 3.45Å; H253-N264 WeakPolarHBondContact CD2-CA 3.3Å; H253-K265 PolarHBondContact CD2-N 2.97Å; H253-K265 PolarHBondContact NE2-N 2.88Å; H253-L268 HydrophobicContact CB-CB 4.26Å; H253-L268 HydrophobicContact CB-CD2 3.91Å
254	Q	72	Confident	67.3	Low	113 Å²	113	74.8 Å²	74.8	53%	0.528	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142	176.6	-170.2	164.7	-4.4	0	0	111.7	R261 L268	Q254-R261 HydrophobicContact CB-CG 4.2Å; Q254-R261 HydrophobicContact CG-CG 4.12Å; Q254-L268 VanDerWaalsContact O-CD2 3.31Å; Q254-L268 WeakPolarHBondContact O-CD2 3.39Å
255	C	74.4	Confident	67.7	Low	0 Å²	0	75 Å²	75	0%	0	39%	0.39	C	S	.	.			trans	-82	120.6	166.4	-168.8	0	0	0	0	109.2	E257 G259 K260 F262 L268	C255-E257 VanDerWaalsContact C-N 3.25Å; C255-E257 PolarHBondContact O-N 3.32Å; C255-G259 WeakPolarHBondContact O-CA 3.34Å; C255-G259 PolarHBondContact O-N 3.47Å; C255-K260 WeakPolarHBondContact CB-O 3.47Å; C255-K260 PolarHBondContact N-O 3.12Å; C255-F262 HydrophobicContact CB-CE2 4.37Å; C255-L268 HydrophobicContact CB-CD1 3.61Å
256	P	71.7	Confident	67.9	Low	104 Å²	104	76.7 Å²	76.7	68%	0.675	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.2	179.2	27.7	-34	0	0	0	111.7	C258	P256-C258 PolarHBondContact O-N 3.23Å
257	E	72.1	Confident	68.4	Low	69 Å²	69	78.8 Å²	78.8	32%	0.322	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.6	-174.9	-64.9	130.7	-124.5	0	0	114.6	C255 R272 H275	C255-E257 VanDerWaalsContact C-N 3.25Å; C255-E257 PolarHBondContact O-N 3.32Å; E257-R272 IonicContact OE1-CZ 3.56Å; E257-R272 IonicContact OE1-NE 2.75Å; E257-R272 PolarHBondContact OE1-NE 3.16Å; E257-R272 IonicContact OE1-NH2 2.8Å; E257-R272 PolarHBondContact OE1-NH2 2.81Å; E257-R272 IonicContact OE2-NE 3.95Å; E257-H275 HydrophobicContact CB-CB 4.39Å; E257-H275 VanDerWaalsContact OE2-CB 3.27Å; E257-H275 WeakPolarHBondContact OE2-CB 3.25Å; E257-H275 IonicContact OE2-CD2 3.07Å; E257-H275 PolarHBondContact OE2-CD2 2.91Å; E257-H275 IonicContact OE2-CG 3.64Å
258	C	70.2	Confident	69.2	Low	43 Å²	43	75.7 Å²	75.7	29%	0.291	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.3	16.9	178	68.1	0	0	0	0	115.9	P256 K260 H271 H275	P256-C258 PolarHBondContact O-N 3.23Å; C258-K260 PolarHBondContact O-N 3.32Å; C258-H271 PolarHBondContact SG-NE2 2.77Å; C258-H275 WeakPolarHBondContact CB-NE2 3.24Å; C258-H275 PolarHBondContact SG-NE2 3.35Å
259	G	69.7	Low	70	Confident	37 Å²	37	75.5 Å²	75.5	38%	0.381	39%	0.392	S	S	.	.			trans	66.9	-10.4	178.7	0	0	0	0	0	116.8	C255 R261	C255-G259 WeakPolarHBondContact O-CA 3.34Å; C255-G259 PolarHBondContact O-N 3.47Å; G259-R261 PolarHBondContact O-N 3.34Å
260	K	67.6	Low	70.8	Confident	116 Å²	116	74.8 Å²	74.8	50%	0.504	38%	0.379	S	S	.	.			trans	-63.9	121.6	-174.4	-72.2	171.5	-173.2	160.3	0	111.4	C255 C258 F262	C255-K260 WeakPolarHBondContact CB-O 3.47Å; C255-K260 PolarHBondContact N-O 3.12Å; C258-K260 PolarHBondContact O-N 3.32Å; K260-F262 HydrophobicContact CB-CE2 3.88Å; K260-F262 HydrophobicContact CB-CZ 4.12Å; K260-F262 VanDerWaalsContact O-CD2 3.3Å; K260-F262 WeakPolarHBondContact O-CD2 3.35Å; K260-F262 WeakPolarHBondContact O-CE2 3.29Å
261	R	67.8	Low	71.6	Confident	131 Å²	131	71.7 Å²	71.7	49%	0.494	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.9	-177.6	-55.8	178.6	69.7	154.6	3.4	112	R251 H253 Q254 G259	R251-R261 HydrophobicContact CB-CB 3.49Å; R251-R261 VanDerWaalsContact CB-CB 3.49Å; R251-R261 VanDerWaalsContact CZ-O 3.24Å; R251-R261 PolarHBondContact NE-O 2.82Å; R251-R261 PolarHBondContact NH2-O 3.19Å; R251-R261 PolarHBondContact O-NE 3.49Å; R251-R261 PolarHBondContact O-NH2 2.83Å; H253-R261 CarbonylContact O-C 3.36Å; Q254-R261 HydrophobicContact CB-CG 4.2Å; Q254-R261 HydrophobicContact CG-CG 4.12Å; G259-R261 PolarHBondContact O-N 3.34Å
262	F	72.9	Confident	71.9	Confident	42 Å²	42	70.6 Å²	70.6	18%	0.184	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.7	-178.1	-63.7	-87.2	0	0	0	112	R251 H253 C255 K260 L268 H271	R251-F262 CarbonylContact C-O 3.56Å; R251-F262 WeakPolarHBondContact CA-O 3.46Å; H253-F262 HydrophobicContact CB-CB 4.34Å; H253-F262 PolarHBondContact N-O 3.42Å; H253-F262 PolarHBondContact O-N 3.19Å; C255-F262 HydrophobicContact CB-CE2 4.37Å; K260-F262 HydrophobicContact CB-CE2 3.88Å; K260-F262 HydrophobicContact CB-CZ 4.12Å; K260-F262 VanDerWaalsContact O-CD2 3.3Å; K260-F262 WeakPolarHBondContact O-CD2 3.35Å; K260-F262 WeakPolarHBondContact O-CE2 3.29Å; F262-L268 HydrophobicContact CB-CB 4.31Å; F262-L268 HydrophobicContact CD2-CB 4.02Å; F262-L268 HydrophobicContact CD2-CD1 3.95Å; F262-L268 HydrophobicContact CE2-CD1 4.19Å; F262-L268 HydrophobicContact CG-CB 4.29Å; F262-H271 HydrophobicContact CE1-CB 4.1Å; F262-H271 HydrophobicContact CE2-CB 3.98Å; F262-H271 AromaticContact CE2-CD2 3.3Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.44Å; F262-H271 AromaticContact CE2-CG 3.63Å; F262-H271 AromaticContact CE2-NE2 3.89Å; F262-H271 HydrophobicContact CZ-CB 3.61Å; F262-H271 AromaticContact CZ-CD2 3.36Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.39Å; F262-H271 AromaticContact CZ-CE1 3.94Å; F262-H271 AromaticContact CZ-CG 3.24Å; F262-H271 AromaticContact CZ-ND1 3.63Å; F262-H271 AromaticContact CZ-NE2 3.78Å
263	T	67.8	Low	72.4	Confident	32 Å²	32	70 Å²	70	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-69.6	-33.6	176.8	49.6	0	0	0	0	112.7	R245 R251 H253	R245-T263 HydrophobicContact CB-CG2 4.12Å; R245-T263 PolarHBondContact NH1-O 3.01Å; R251-T263 HydrophobicContact CG-CG2 4.31Å; H253-T263 PolarHBondContact CD2-O 3.4Å
264	N	71.1	Confident	72.2	Confident	33 Å²	33	71.5 Å²	71.5	18%	0.176	36%	0.359	C	S	.	.	S	Bend	trans	-133	143.6	-177.5	-52.4	-25.4	0	0	0	113.6	A242 H253 Y267 L268	A242-N264 WeakPolarHBondContact CB-ND2 3.34Å; A242-N264 WeakPolarHBondContact CB-OD1 3.47Å; H253-N264 VanDerWaalsContact CD2-CA 3.45Å; H253-N264 WeakPolarHBondContact CD2-CA 3.3Å; N264-Y267 HydrophobicContact CB-CD2 3.91Å; N264-Y267 PolarHBondContact O-N 2.96Å; N264-Y267 VanDerWaalsContact O-N 3.15Å; N264-L268 PolarHBondContact O-N 3.36Å
265	K	72.4	Confident	72.1	Confident	142 Å²	142	70.5 Å²	70.5	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-53.9	-41.3	176.2	-165.5	170.9	-175.7	172.6	0	114.7	H253 Y267 L268 T269	H253-K265 PolarHBondContact CD2-N 2.97Å; H253-K265 PolarHBondContact NE2-N 2.88Å; K265-Y267 VanDerWaalsContact C-N 3.33Å; K265-Y267 PolarHBondContact O-N 3.18Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.01Å; K265-T269 PolarHBondContact O-N 3.18Å; K265-T269 PolarHBondContact O-OG1 2.95Å
266	P	74.1	Confident	71.8	Confident	96 Å²	96	73.6 Å²	73.6	62%	0.623	37%	0.373	S	S	*	.	H	α-helix	trans	-64.8	-31.3	177.7	-24.3	36.4	0	0	0	114.3	T269 S270	P266-T269 PolarHBondContact O-N 2.72Å; P266-S270 WeakPolarHBondContact O-CB 3.39Å; P266-S270 PolarHBondContact O-N 2.82Å
267	Y	70.5	Confident	71.6	Confident	145 Å²	145	70.5 Å²	70.5	57%	0.569	36%	0.36	S	S	*	.	H	α-helix	trans	-70.7	-37.7	173.7	-69.8	-56	0	0	0	111.3	N264 K265 S270 H271	N264-Y267 HydrophobicContact CB-CD2 3.91Å; N264-Y267 PolarHBondContact O-N 2.96Å; N264-Y267 VanDerWaalsContact O-N 3.15Å; K265-Y267 VanDerWaalsContact C-N 3.33Å; K265-Y267 PolarHBondContact O-N 3.18Å; Y267-S270 PolarHBondContact O-N 3.15Å; Y267-H271 VanDerWaalsContact O-CB 3.27Å; Y267-H271 WeakPolarHBondContact O-CB 3.46Å; Y267-H271 PolarHBondContact O-N 3.25Å
268	L	75.1	Confident	71.5	Confident	21 Å²	21	71.5 Å²	71.5	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-47.1	169.5	171.8	60.4	0	0	0	111.7	H253 Q254 C255 F262 N264 K265 S270 H271 R272	H253-L268 HydrophobicContact CB-CB 4.26Å; H253-L268 HydrophobicContact CB-CD2 3.91Å; Q254-L268 VanDerWaalsContact O-CD2 3.31Å; Q254-L268 WeakPolarHBondContact O-CD2 3.39Å; C255-L268 HydrophobicContact CB-CD1 3.61Å; F262-L268 HydrophobicContact CB-CB 4.31Å; F262-L268 HydrophobicContact CD2-CB 4.02Å; F262-L268 HydrophobicContact CD2-CD1 3.95Å; F262-L268 HydrophobicContact CE2-CD1 4.19Å; F262-L268 HydrophobicContact CG-CB 4.29Å; N264-L268 PolarHBondContact O-N 3.36Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.01Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.4Å; L268-H271 CarbonylContact O-C 3.59Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.31Å; L268-H271 PolarHBondContact O-N 2.79Å; L268-R272 HydrophobicContact CD1-CG 4.02Å; L268-R272 PolarHBondContact O-N 2.83Å
269	T	74.9	Confident	71.8	Confident	77 Å²	77	74.5 Å²	74.5	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-40.2	176.1	-55.1	0	0	0	0	112	K265 P266 H271	K265-T269 PolarHBondContact O-N 3.18Å; K265-T269 PolarHBondContact O-OG1 2.95Å; P266-T269 PolarHBondContact O-N 2.72Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 3.07Å
270	S	72.6	Confident	72.1	Confident	38 Å²	38	75.3 Å²	75.3	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-34.8	174.1	-163.6	0	0	0	0	112.3	P266 Y267 L268 H292	P266-S270 WeakPolarHBondContact O-CB 3.39Å; P266-S270 PolarHBondContact O-N 2.82Å; Y267-S270 PolarHBondContact O-N 3.15Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.4Å; S270-H292 PolarHBondContact OG-CE1 2.95Å; S270-H292 PolarHBondContact OG-ND1 2.92Å; S270-H292 VanDerWaalsContact OG-ND1 3.14Å
271	H	76	Confident	72.7	Confident	21 Å²	21	73.1 Å²	73.1	10%	0.097	36%	0.36	C	S	.	.	H	α-helix	trans	-74.3	-38.5	178.7	177.3	68.3	0	0	0	113.6	C258 F262 Y267 L268 T269 R273 I274	C258-H271 PolarHBondContact SG-NE2 2.77Å; F262-H271 HydrophobicContact CE1-CB 4.1Å; F262-H271 HydrophobicContact CE2-CB 3.98Å; F262-H271 AromaticContact CE2-CD2 3.3Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.44Å; F262-H271 AromaticContact CE2-CG 3.63Å; F262-H271 AromaticContact CE2-NE2 3.89Å; F262-H271 HydrophobicContact CZ-CB 3.61Å; F262-H271 AromaticContact CZ-CD2 3.36Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.39Å; F262-H271 AromaticContact CZ-CE1 3.94Å; F262-H271 AromaticContact CZ-CG 3.24Å; F262-H271 AromaticContact CZ-ND1 3.63Å; F262-H271 AromaticContact CZ-NE2 3.78Å; Y267-H271 VanDerWaalsContact O-CB 3.27Å; Y267-H271 WeakPolarHBondContact O-CB 3.46Å; Y267-H271 PolarHBondContact O-N 3.25Å; L268-H271 CarbonylContact O-C 3.59Å; L268-H271 WeakPolarHBondContact O-CA 3.38Å; L268-H271 WeakPolarHBondContact O-CB 3.31Å; L268-H271 PolarHBondContact O-N 2.79Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 3.07Å; H271-R273 PolarHBondContact O-N 2.68Å; H271-R273 VanDerWaalsContact O-N 3.12Å; H271-I274 WeakPolarHBondContact O-CB 3.43Å; H271-I274 VanDerWaalsContact O-CG1 3.26Å; H271-I274 WeakPolarHBondContact O-CG1 3.4Å; H271-I274 PolarHBondContact O-N 3.34Å
272	R	74.1	Confident	73.1	Confident	110 Å²	110	70.5 Å²	70.5	42%	0.415	36%	0.36	S	S	.	.	H	α-helix	trans	-58.1	-28.2	179	-71.8	-173.6	73.2	-137.9	0.1	113.4	E257 L268 I274 H275 T276	E257-R272 IonicContact OE1-CZ 3.56Å; E257-R272 IonicContact OE1-NE 2.75Å; E257-R272 PolarHBondContact OE1-NE 3.16Å; E257-R272 IonicContact OE1-NH2 2.8Å; E257-R272 PolarHBondContact OE1-NH2 2.81Å; E257-R272 IonicContact OE2-NE 3.95Å; L268-R272 HydrophobicContact CD1-CG 4.02Å; L268-R272 PolarHBondContact O-N 2.83Å; R272-I274 PolarHBondContact O-N 3.23Å; R272-H275 PolarHBondContact O-N 2.86Å; R272-T276 PolarHBondContact O-N 2.84Å
273	R	79.1	Confident	73.5	Confident	50 Å²	50	68.7 Å²	68.7	19%	0.189	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.2	170.6	-59	-177	177.2	165.3	2.9	114.3	H271 T276 E278 Y281 R291	H271-R273 PolarHBondContact O-N 2.68Å; H271-R273 VanDerWaalsContact O-N 3.12Å; R273-T276 WeakPolarHBondContact CA-OG1 3.31Å; R273-E278 HydrophobicContact CB-CB 4.06Å; R273-E278 HydrophobicContact CG-CB 3.98Å; R273-E278 IonicContact NE-OE2 3.42Å; R273-Y281 PolarHBondContact NH1-OH 3.18Å; R273-R291 HydrophobicContact CB-CG 3.69Å; R273-R291 PolarHBondContact NH1-O 3.17Å; R273-R291 PolarHBondContact O-NE 2.97Å; R273-R291 PolarHBondContact O-NH2 3.31Å
274	I	69.3	Low	74	Confident	82 Å²	82	76.9 Å²	76.9	42%	0.421	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-44.2	170.6	-62.2	-173.7	0	0	0	110.5	H271 R272 R291	H271-I274 WeakPolarHBondContact O-CB 3.43Å; H271-I274 VanDerWaalsContact O-CG1 3.26Å; H271-I274 WeakPolarHBondContact O-CG1 3.4Å; H271-I274 PolarHBondContact O-N 3.34Å; R272-I274 PolarHBondContact O-N 3.23Å; I274-R291 VanDerWaalsContact CA-CZ 3.5Å; I274-R291 PolarHBondContact O-NH2 3Å
275	H	70.1	Confident	74.1	Confident	92 Å²	92	79.9 Å²	79.9	43%	0.426	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-48	-179.1	-52.1	-65.6	0	0	0	112.1	E257 C258 R272 G277	E257-H275 HydrophobicContact CB-CB 4.39Å; E257-H275 VanDerWaalsContact OE2-CB 3.27Å; E257-H275 WeakPolarHBondContact OE2-CB 3.25Å; E257-H275 IonicContact OE2-CD2 3.07Å; E257-H275 PolarHBondContact OE2-CD2 2.91Å; E257-H275 IonicContact OE2-CG 3.64Å; C258-H275 WeakPolarHBondContact CB-NE2 3.24Å; C258-H275 PolarHBondContact SG-NE2 3.35Å; R272-H275 PolarHBondContact O-N 2.86Å; H275-G277 PolarHBondContact O-N 3.09Å
276	T	68.6	Low	74.4	Confident	64 Å²	64	75.7 Å²	75.7	39%	0.393	39%	0.386	S	S	.	.	S	Bend	trans	-70.2	4.1	-178.5	64.9	0	0	0	0	114.3	R272 R273 E278	R272-T276 PolarHBondContact O-N 2.84Å; R273-T276 WeakPolarHBondContact CA-OG1 3.31Å; T276-E278 WeakPolarHBondContact CB-OE1 3.5Å; T276-E278 PolarHBondContact O-N 2.89Å; T276-E278 VanDerWaalsContact OG1-CD 3.28Å; T276-E278 WeakPolarHBondContact OG1-CG 3.45Å; T276-E278 PolarHBondContact OG1-OE1 3.13Å
277	G	66.9	Low	74.4	Confident	40 Å²	40	73.4 Å²	73.4	41%	0.412	38%	0.38	S	S	.	.			trans	66.5	-10.6	-177.8	0	0	0	0	0	115.4	H275 K279	H275-G277 PolarHBondContact O-N 3.09Å; G277-K279 PolarHBondContact O-N 2.91Å
278	E	71.5	Confident	74.5	Confident	89 Å²	89	74.4 Å²	74.4	42%	0.416	38%	0.383	S	S	.	.			trans	-49	123.5	-169.8	-83.9	171	-114.3	0	0	113.7	R273 T276 P280	R273-E278 HydrophobicContact CB-CB 4.06Å; R273-E278 HydrophobicContact CG-CB 3.98Å; R273-E278 IonicContact NE-OE2 3.42Å; T276-E278 WeakPolarHBondContact CB-OE1 3.5Å; T276-E278 PolarHBondContact O-N 2.89Å; T276-E278 VanDerWaalsContact OG1-CD 3.28Å; T276-E278 WeakPolarHBondContact OG1-CG 3.45Å; T276-E278 PolarHBondContact OG1-OE1 3.13Å; E278-P280 HydrophobicContact CB-CG 4.39Å
279	K	75.7	Confident	74.5	Confident	107 Å²	107	81 Å²	81	47%	0.465	41%	0.406	S	S	.	.			trans	-124.2	81.2	171.3	-66.4	157.5	-176.6	174.7	0	108.9	G277 Y281 R289 F290	G277-K279 PolarHBondContact O-N 2.91Å; K279-Y281 VanDerWaalsContact C-N 3.26Å; K279-Y281 PolarHBondContact O-N 3.49Å; K279-R289 HydrophobicContact CB-CB 3.46Å; K279-R289 VanDerWaalsContact CB-CB 3.46Å; K279-R289 HydrophobicContact CD-CB 4.17Å; K279-R289 WeakPolarHBondContact CD-O 2.98Å; K279-R289 HydrophobicContact CG-CB 4.35Å; K279-R289 PolarHBondContact O-NE 3.1Å; K279-R289 VanDerWaalsContact O-NE 3.11Å; K279-R289 PolarHBondContact O-NH2 2.91Å; K279-F290 CarbonylContact C-O 3.5Å; K279-F290 VanDerWaalsContact CA-O 3.24Å; K279-F290 WeakPolarHBondContact CA-O 3.29Å
280	P	76.7	Confident	74.5	Confident	53 Å²	53	79.3 Å²	79.3	34%	0.344	39%	0.392	S	S	.	.			trans	-76.5	-6.3	-172.3	-17.2	33.6	0	0	0	114.9	E278 P282 F290	E278-P280 HydrophobicContact CB-CG 4.39Å; P280-P282 VanDerWaalsContact O-CD 3.28Å; P280-P282 WeakPolarHBondContact O-CD 3.47Å; P280-F290 WeakPolarHBondContact CD-O 3.39Å
281	Y	80.4	Confident	74.6	Confident	71 Å²	71	80.8 Å²	80.8	28%	0.278	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	86.4	-174	-52.4	-76.4	0	0	0	110.1	R273 K279 F290 R291 H292 K293	R273-Y281 PolarHBondContact NH1-OH 3.18Å; K279-Y281 VanDerWaalsContact C-N 3.26Å; K279-Y281 PolarHBondContact O-N 3.49Å; Y281-F290 WeakPolarHBondContact CD2-O 3.43Å; Y281-F290 PolarHBondContact N-O 2.78Å; Y281-F290 VanDerWaalsContact N-O 3.09Å; Y281-F290 PolarHBondContact O-N 3.05Å; Y281-R291 WeakPolarHBondContact CE2-O 3.31Å; Y281-H292 VanDerWaalsContact CD2-C 3.42Å; Y281-K293 HydrophobicContact CD1-CB 4.06Å; Y281-K293 HydrophobicContact CD1-CG 4.49Å; Y281-K293 HydrophobicContact CE1-CB 3.94Å; Y281-K293 HydrophobicContact CG-CB 4.46Å
282	P	75.8	Confident	74.5	Confident	75 Å²	75	82.3 Å²	82.3	49%	0.487	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.9	172.5	30.5	-34.5	0	0	0	111.3	P280 R289 L296	P280-P282 VanDerWaalsContact O-CD 3.28Å; P280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-R289 HydrophobicContact CB-CG 4.3Å; P282-L296 VanDerWaalsContact O-CD2 3.32Å; P282-L296 WeakPolarHBondContact O-CD2 3.22Å
283	C	81.5	Confident	74.3	Confident	4 Å²	4	83.2 Å²	83.2	3%	0.027	41%	0.406	C	S	.	.			trans	-79.2	133.4	162.1	169.1	0	0	0	0	109.1	E285 C286 G287 R288 F290 L296 H303	C283-E285 PolarHBondContact SG-OE2 3Å; C283-C286 PolarHBondContact SG-SG 2.87Å; C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.45Å; C283-G287 PolarHBondContact O-N 3.24Å; C283-G287 VanDerWaalsContact O-N 3.08Å; C283-R288 WeakPolarHBondContact CB-O 3.47Å; C283-R288 PolarHBondContact N-O 2.99Å; C283-F290 HydrophobicContact CB-CE2 4.28Å; C283-L296 HydrophobicContact CB-CD1 3.68Å; C283-H303 PolarHBondContact SG-CD2 2.84Å; C283-H303 PolarHBondContact SG-NE2 3.04Å
284	K	77.1	Confident	73.9	Confident	205 Å²	205	85 Å²	85	89%	0.891	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-40.6	179.2	-71.5	-169.6	174.1	-169	0	110.8	C286	K284-C286 PolarHBondContact O-N 3.2Å
285	E	74.7	Confident	74.1	Confident	95 Å²	95	85 Å²	85	44%	0.444	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.7	-171.3	-48.1	98.2	124	0	0	114	C283 S300 H303	C283-E285 PolarHBondContact SG-OE2 3Å; E285-S300 WeakPolarHBondContact OE1-CB 3.34Å; E285-H303 HydrophobicContact CB-CB 3.78Å; E285-H303 HydrophobicContact CG-CB 3.83Å; E285-H303 IonicContact OE1-CD2 3.9Å; E285-H303 IonicContact OE2-CD2 3.59Å
286	C	78.4	Confident	74.4	Confident	54 Å²	54	82 Å²	82	37%	0.365	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	15.1	-177.9	74.9	0	0	0	0	115.4	C283 K284 R288 H299 H303	C283-C286 PolarHBondContact SG-SG 2.87Å; K284-C286 PolarHBondContact O-N 3.2Å; C286-R288 PolarHBondContact O-N 2.76Å; C286-R288 VanDerWaalsContact SG-CG 3.6Å; C286-H299 PolarHBondContact SG-NE2 3Å; C286-H303 PolarHBondContact SG-CE1 3.33Å; C286-H303 PolarHBondContact SG-NE2 2.79Å
287	G	73.6	Confident	74.6	Confident	48 Å²	48	83.4 Å²	83.4	50%	0.495	42%	0.417	S	S	.	.			trans	66.5	-13.9	178.7	0	0	0	0	0	116.8	C283 R289	C283-G287 VanDerWaalsContact O-CA 3.29Å; C283-G287 WeakPolarHBondContact O-CA 3.45Å; C283-G287 PolarHBondContact O-N 3.24Å; C283-G287 VanDerWaalsContact O-N 3.08Å; G287-R289 VanDerWaalsContact O-CG 3.3Å; G287-R289 WeakPolarHBondContact O-CG 3.31Å; G287-R289 PolarHBondContact O-N 3.5Å
288	R	73.2	Confident	74.7	Confident	167 Å²	167	84.1 Å²	84.1	63%	0.63	42%	0.416	S	S	*	.			trans	-56.5	126.3	-175.6	-72.3	-178.2	179.4	-165.1	1.8	111.5	C283 C286 F290	C283-R288 WeakPolarHBondContact CB-O 3.47Å; C283-R288 PolarHBondContact N-O 2.99Å; C286-R288 PolarHBondContact O-N 2.76Å; C286-R288 VanDerWaalsContact SG-CG 3.6Å; R288-F290 HydrophobicContact CB-CE2 3.9Å; R288-F290 HydrophobicContact CB-CZ 4.13Å; R288-F290 WeakPolarHBondContact O-CD2 3.32Å; R288-F290 WeakPolarHBondContact O-CE2 3.12Å
289	R	73.6	Confident	74.9	Confident	158 Å²	158	80.6 Å²	80.6	60%	0.596	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.8	-172.5	-54	179.5	59.8	167.1	1.5	112.2	K279 P282 G287	K279-R289 HydrophobicContact CB-CB 3.46Å; K279-R289 VanDerWaalsContact CB-CB 3.46Å; K279-R289 HydrophobicContact CD-CB 4.17Å; K279-R289 WeakPolarHBondContact CD-O 2.98Å; K279-R289 HydrophobicContact CG-CB 4.35Å; K279-R289 PolarHBondContact O-NE 3.1Å; K279-R289 VanDerWaalsContact O-NE 3.11Å; K279-R289 PolarHBondContact O-NH2 2.91Å; P282-R289 HydrophobicContact CB-CG 4.3Å; G287-R289 VanDerWaalsContact O-CG 3.3Å; G287-R289 WeakPolarHBondContact O-CG 3.31Å; G287-R289 PolarHBondContact O-N 3.5Å
290	F	76.3	Confident	74.6	Confident	42 Å²	42	76.9 Å²	76.9	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.2	-177.4	-62.3	-88.3	0	0	0	112.8	K279 P280 Y281 C283 R288 N295 L296 H299	K279-F290 CarbonylContact C-O 3.5Å; K279-F290 VanDerWaalsContact CA-O 3.24Å; K279-F290 WeakPolarHBondContact CA-O 3.29Å; P280-F290 WeakPolarHBondContact CD-O 3.39Å; Y281-F290 WeakPolarHBondContact CD2-O 3.43Å; Y281-F290 PolarHBondContact N-O 2.78Å; Y281-F290 VanDerWaalsContact N-O 3.09Å; Y281-F290 PolarHBondContact O-N 3.05Å; C283-F290 HydrophobicContact CB-CE2 4.28Å; R288-F290 HydrophobicContact CB-CE2 3.9Å; R288-F290 HydrophobicContact CB-CZ 4.13Å; R288-F290 WeakPolarHBondContact O-CD2 3.32Å; R288-F290 WeakPolarHBondContact O-CE2 3.12Å; F290-N295 HydrophobicContact CB-CB 4.3Å; F290-N295 HydrophobicContact CD1-CB 3.89Å; F290-N295 HydrophobicContact CG-CB 4.39Å; F290-L296 HydrophobicContact CB-CB 4.18Å; F290-L296 HydrophobicContact CD2-CB 3.99Å; F290-L296 HydrophobicContact CD2-CD1 3.95Å; F290-L296 HydrophobicContact CE2-CD1 4.26Å; F290-L296 HydrophobicContact CG-CB 4.2Å; F290-H299 HydrophobicContact CE1-CB 4.04Å; F290-H299 HydrophobicContact CE2-CB 3.94Å; F290-H299 AromaticContact CE2-CD2 3.25Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.47Å; F290-H299 AromaticContact CE2-CG 3.62Å; F290-H299 AromaticContact CE2-NE2 3.94Å; F290-H299 HydrophobicContact CZ-CB 3.55Å; F290-H299 AromaticContact CZ-CD2 3.33Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.3Å; F290-H299 AromaticContact CZ-CG 3.22Å; F290-H299 AromaticContact CZ-ND1 3.76Å; F290-H299 AromaticContact CZ-NE2 3.88Å
291	R	73.5	Confident	74.5	Confident	69 Å²	69	77.6 Å²	77.6	26%	0.26	38%	0.384	S	S	.	.	S	Bend	trans	-80.3	-24.6	-178.8	-171.7	172.2	-78.2	150.7	-11.6	114	R273 I274 Y281	R273-R291 HydrophobicContact CB-CG 3.69Å; R273-R291 PolarHBondContact NH1-O 3.17Å; R273-R291 PolarHBondContact O-NE 2.97Å; R273-R291 PolarHBondContact O-NH2 3.31Å; I274-R291 VanDerWaalsContact CA-CZ 3.5Å; I274-R291 PolarHBondContact O-NH2 3Å; Y281-R291 WeakPolarHBondContact CE2-O 3.31Å
292	H	74.4	Confident	74	Confident	54 Å²	54	77.9 Å²	77.9	25%	0.25	39%	0.39	C	S	.	.	S	Bend	trans	-139.9	141.2	-178.2	-45	-68.7	0	0	0	111.2	S270 Y281 P294 N295 L296	S270-H292 PolarHBondContact OG-CE1 2.95Å; S270-H292 PolarHBondContact OG-ND1 2.92Å; S270-H292 VanDerWaalsContact OG-ND1 3.14Å; Y281-H292 VanDerWaalsContact CD2-C 3.42Å; H292-P294 VanDerWaalsContact C-CD 3.5Å; H292-N295 WeakPolarHBondContact O-CB 3.16Å; H292-N295 PolarHBondContact O-N 3.38Å; H292-N295 VanDerWaalsContact O-N 3.07Å; H292-L296 PolarHBondContact O-N 2.65Å
293	K	70.9	Confident	73.8	Confident	128 Å²	128	75.8 Å²	75.8	56%	0.557	37%	0.373	S	S	*	.	H	α-helix	trans	-54.5	-40.8	-178.9	-169.5	179.1	-179.4	-177.5	0	114.2	Y281 N295 L296 L297	Y281-K293 HydrophobicContact CD1-CB 4.06Å; Y281-K293 HydrophobicContact CD1-CG 4.49Å; Y281-K293 HydrophobicContact CE1-CB 3.94Å; Y281-K293 HydrophobicContact CG-CB 4.46Å; K293-N295 PolarHBondContact O-N 3.08Å; K293-L296 PolarHBondContact O-N 2.77Å; K293-L297 HydrophobicContact CG-CD1 4.1Å; K293-L297 HydrophobicContact CG-CG 4.35Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 2.7Å
294	P	70.1	Confident	72.8	Confident	88 Å²	88	83 Å²	83	57%	0.571	40%	0.404	S	S	*	.	H	α-helix	trans	-61.9	-29.1	177.3	-25.2	36.4	0	0	0	114.1	H292 L297 S298	H292-P294 VanDerWaalsContact C-CD 3.5Å; P294-L297 PolarHBondContact O-N 2.86Å; P294-S298 WeakPolarHBondContact O-CB 3.27Å; P294-S298 PolarHBondContact O-N 3.12Å
295	N	72.6	Confident	71.7	Confident	81 Å²	81	82.8 Å²	82.8	43%	0.433	40%	0.398	S	S	.	.	H	α-helix	trans	-73.9	-37.3	178.5	-61.3	27.4	0	0	0	110.7	F290 H292 K293 S298 H299	F290-N295 HydrophobicContact CB-CB 4.3Å; F290-N295 HydrophobicContact CD1-CB 3.89Å; F290-N295 HydrophobicContact CG-CB 4.39Å; H292-N295 WeakPolarHBondContact O-CB 3.16Å; H292-N295 PolarHBondContact O-N 3.38Å; H292-N295 VanDerWaalsContact O-N 3.07Å; K293-N295 PolarHBondContact O-N 3.08Å; N295-S298 PolarHBondContact O-N 3.02Å; N295-H299 WeakPolarHBondContact O-CB 3.3Å; N295-H299 PolarHBondContact O-N 3.06Å
296	L	76.1	Confident	70.2	Confident	29 Å²	29	82 Å²	82	15%	0.152	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-47.5	169.9	170.4	60.3	0	0	0	111	P282 C283 F290 H292 K293 S298 H299 S300	P282-L296 VanDerWaalsContact O-CD2 3.32Å; P282-L296 WeakPolarHBondContact O-CD2 3.22Å; C283-L296 HydrophobicContact CB-CD1 3.68Å; F290-L296 HydrophobicContact CB-CB 4.18Å; F290-L296 HydrophobicContact CD2-CB 3.99Å; F290-L296 HydrophobicContact CD2-CD1 3.95Å; F290-L296 HydrophobicContact CE2-CD1 4.26Å; F290-L296 HydrophobicContact CG-CB 4.2Å; H292-L296 PolarHBondContact O-N 2.65Å; K293-L296 PolarHBondContact O-N 2.77Å; L296-S298 PolarHBondContact O-N 2.91Å; L296-H299 CarbonylContact O-C 3.53Å; L296-H299 WeakPolarHBondContact O-CA 3.3Å; L296-H299 WeakPolarHBondContact O-CB 3.42Å; L296-H299 PolarHBondContact O-N 3.32Å; L296-S300 PolarHBondContact O-N 3.43Å
297	L	74.6	Confident	68.3	Low	95 Å²	95	87.9 Å²	87.9	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-28.9	178.7	-67.6	171.2	0	0	0	113.1	K293 P294 H299	K293-L297 HydrophobicContact CG-CD1 4.1Å; K293-L297 HydrophobicContact CG-CG 4.35Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 2.7Å; P294-L297 PolarHBondContact O-N 2.86Å; L297-H299 VanDerWaalsContact C-N 3.26Å
298	S	68.2	Low	66.7	Low	55 Å²	55	89 Å²	89	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-77.4	-11.7	170.9	-170.8	0	0	0	0	113.4	P294 N295 L296	P294-S298 WeakPolarHBondContact O-CB 3.27Å; P294-S298 PolarHBondContact O-N 3.12Å; N295-S298 PolarHBondContact O-N 3.02Å; L296-S298 PolarHBondContact O-N 2.91Å
299	H	75	Confident	64.9	Low	14 Å²	14	86.2 Å²	86.2	7%	0.065	44%	0.443	C	S	.	.	H	α-helix	trans	-103.9	-37.8	-176.8	174.1	68.5	0	0	0	113.2	C286 F290 N295 L296 L297 K301 I302 H303	C286-H299 PolarHBondContact SG-NE2 3Å; F290-H299 HydrophobicContact CE1-CB 4.04Å; F290-H299 HydrophobicContact CE2-CB 3.94Å; F290-H299 AromaticContact CE2-CD2 3.25Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.47Å; F290-H299 AromaticContact CE2-CG 3.62Å; F290-H299 AromaticContact CE2-NE2 3.94Å; F290-H299 HydrophobicContact CZ-CB 3.55Å; F290-H299 AromaticContact CZ-CD2 3.33Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.3Å; F290-H299 AromaticContact CZ-CG 3.22Å; F290-H299 AromaticContact CZ-ND1 3.76Å; F290-H299 AromaticContact CZ-NE2 3.88Å; N295-H299 WeakPolarHBondContact O-CB 3.3Å; N295-H299 PolarHBondContact O-N 3.06Å; L296-H299 CarbonylContact O-C 3.53Å; L296-H299 WeakPolarHBondContact O-CA 3.3Å; L296-H299 WeakPolarHBondContact O-CB 3.42Å; L296-H299 PolarHBondContact O-N 3.32Å; L297-H299 VanDerWaalsContact C-N 3.26Å; H299-K301 PolarHBondContact O-N 2.9Å; H299-I302 WeakPolarHBondContact O-CB 3.36Å; H299-I302 VanDerWaalsContact O-CG1 3.29Å; H299-I302 WeakPolarHBondContact O-CG1 3.26Å; H299-I302 PolarHBondContact O-N 3.18Å; H299-H303 AromaticContact CD2-NE2 3.69Å; H299-H303 AromaticContact CE1-CE1 3.86Å; H299-H303 AromaticContact CE1-NE2 3.48Å; H299-H303 PolarHBondContact CE1-NE2 3.16Å; H299-H303 AromaticContact NE2-CE1 3.78Å; H299-H303 AromaticContact NE2-NE2 3.04Å; H299-H303 PolarHBondContact NE2-NE2 3.48Å
300	S	70.2	Confident	63	Low	29 Å²	29	83.1 Å²	83.1	20%	0.203	45%	0.451	C	S	.	.	H	α-helix	trans	-62.1	-26.9	172.1	54.2	0	0	0	0	112.5	E285 L296 I302 H303 K304	E285-S300 WeakPolarHBondContact OE1-CB 3.34Å; L296-S300 PolarHBondContact O-N 3.43Å; S300-I302 PolarHBondContact O-N 3.3Å; S300-H303 PolarHBondContact O-N 2.88Å; S300-K304 PolarHBondContact O-N 3.45Å
301	K	74.2	Confident	60.7	Low	69 Å²	69	90.6 Å²	90.6	30%	0.3	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	1.9	165.1	-70.9	-166.6	175.5	-155.2	0	114.9	H299 R374	H299-K301 PolarHBondContact O-N 2.9Å; K301-R374 PolarHBondContact O-NE 3.5Å; K301-R374 PolarHBondContact O-NH2 3.17Å
302	I	69.3	Low	58.4	Low	76 Å²	76	92.5 Å²	92.5	39%	0.39	52%	0.517	S	S	.	.	H	α-helix	trans	-91.6	-43.3	168.8	-57.6	-178.6	0	0	0	110.9	H299 S300 R305	H299-I302 WeakPolarHBondContact O-CB 3.36Å; H299-I302 VanDerWaalsContact O-CG1 3.29Å; H299-I302 WeakPolarHBondContact O-CG1 3.26Å; H299-I302 PolarHBondContact O-N 3.18Å; S300-I302 PolarHBondContact O-N 3.3Å; I302-R305 PolarHBondContact O-N 2.88Å
303	H	71.7	Confident	56.2	Low	31 Å²	31	94.5 Å²	94.5	14%	0.144	54%	0.543	C	S	.	.	H	α-helix	trans	-78.1	-29	-175.4	-48	-53.9	0	0	0	112.6	C283 E285 C286 H299 S300 R305 S306	C283-H303 PolarHBondContact SG-CD2 2.84Å; C283-H303 PolarHBondContact SG-NE2 3.04Å; E285-H303 HydrophobicContact CB-CB 3.78Å; E285-H303 HydrophobicContact CG-CB 3.83Å; E285-H303 IonicContact OE1-CD2 3.9Å; E285-H303 IonicContact OE2-CD2 3.59Å; C286-H303 PolarHBondContact SG-CE1 3.33Å; C286-H303 PolarHBondContact SG-NE2 2.79Å; H299-H303 AromaticContact CD2-NE2 3.69Å; H299-H303 AromaticContact CE1-CE1 3.86Å; H299-H303 AromaticContact CE1-NE2 3.48Å; H299-H303 PolarHBondContact CE1-NE2 3.16Å; H299-H303 AromaticContact NE2-CE1 3.78Å; H299-H303 AromaticContact NE2-NE2 3.04Å; H299-H303 PolarHBondContact NE2-NE2 3.48Å; S300-H303 PolarHBondContact O-N 2.88Å; H303-R305 PolarHBondContact O-N 3.49Å; H303-S306 PolarHBondContact O-N 3.36Å; H303-S306 PolarHBondContact O-OG 3.2Å
304	K	60.3	Low	54.6	Low	157 Å²	157	94.7 Å²	94.7	68%	0.683	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	32.1	162.9	-68	-152.6	169.6	-152.4	0	114.4	S300	S300-K304 PolarHBondContact O-N 3.45Å
305	R	54.1	Low	52.8	Low	199 Å²	199	93.7 Å²	93.7	75%	0.751	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	-13.8	170.1	-164.7	176.5	178.9	-165.9	-1	112.7	I302 H303	I302-R305 PolarHBondContact O-N 2.88Å; H303-R305 PolarHBondContact O-N 3.49Å
306	S	43.2	Very low	50.9	Low	78 Å²	78	96.4 Å²	96.4	55%	0.545	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-80.3	-24.1	179.9	38.1	0	0	0	0	114	H303 G308	H303-S306 PolarHBondContact O-N 3.36Å; H303-S306 PolarHBondContact O-OG 3.2Å; S306-G308 PolarHBondContact O-N 3.37Å
307	E	40.1	Very low	48.6	Very low	178 Å²	178	98.4 Å²	98.4	83%	0.832	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-80	-3.4	-179.8	-66.5	162	160.8	0	0	113.2
308	G	39.7	Very low	46.3	Very low	73 Å²	73	99.6 Å²	99.6	75%	0.753	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-115	24.7	-179.2	0	0	0	0	0	114.6	S306	S306-G308 PolarHBondContact O-N 3.37Å
309	S	34.7	Very low	44.7	Very low	108 Å²	108	103.3 Å²	103.3	76%	0.755	65%	0.651	S	S	*	*			trans	-157.9	73.3	177.7	-162.6	0	0	0	0	111
310	A	33.8	Very low	42.4	Very low	92 Å²	92	112.1 Å²	112.1	76%	0.76	69%	0.692	S	S	*	*			trans	-143.5	36.9	-174.7	0	0	0	0	0	113.9
311	Q	29.2	Very low	40.4	Very low	200 Å²	200	118.7 Å²	118.7	94%	0.935	73%	0.725	S	S	*	*			trans	-158.1	90.4	165.9	-109.9	168.5	30.4	0	0	110.5
312	A	24.4	Very low	38.7	Very low	109 Å²	109	121.3 Å²	121.3	90%	0.901	75%	0.748	S	S	*	*			trans	-178.9	102.8	159.5	0	0	0	0	0	109.3
313	A	28.9	Very low	36.6	Very low	96 Å²	96	122.8 Å²	122.8	79%	0.793	77%	0.772	S	S	*	*			trans	-154	164.8	170.7	0	0	0	0	0	108.4
314	P	35.7	Very low	34.4	Very low	132 Å²	132	124.6 Å²	124.6	86%	0.857	80%	0.799	S	S	*	*			cis	-98.9	-156.5	-15.1	38.3	-28	0	0	0	110
315	G	32.6	Very low	33.4	Very low	66 Å²	66	122.5 Å²	122.5	68%	0.68	80%	0.802	S	S	*	*			trans	-119.5	157.7	166.4	0	0	0	0	0	111.6
316	P	34.4	Very low	32.2	Very low	139 Å²	139	120.4 Å²	120.4	90%	0.903	80%	0.801	S	S	*	*			trans	-105.4	176.8	159.8	36.1	-26.9	0	0	0	111.6
317	G	27.6	Very low	31.3	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	81%	0.808	S	S	*	*			trans	-112.5	-176.2	-178.2	0	0	0	0	0	114.5
318	S	26.3	Very low	30.8	Very low	121 Å²	121	121 Å²	121	85%	0.846	81%	0.808	S	S	*	*			trans	43.2	121.7	161	-57.7	0	0	0	0	120.2
319	P	33.2	Very low	30.2	Very low	133 Å²	133	122.1 Å²	122.1	86%	0.864	81%	0.81	S	S	*	*			trans	-81	148.1	171.1	34.5	-34.1	0	0	0	112.6
320	Q	27.7	Very low	29.8	Very low	198 Å²	198	121.8 Å²	121.8	93%	0.925	81%	0.813	S	S	*	*			trans	-141.6	157.8	164.9	-164.4	156.4	-15	0	0	109.9
321	L	26.8	Very low	29.4	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	82%	0.816	S	S	*	*			trans	-89.5	164.4	-165.6	-76.1	170	0	0	0	113.9
322	P	38.9	Very low	30	Very low	123 Å²	123	121.3 Å²	121.3	80%	0.799	81%	0.805	S	S	*	*			trans	-103.5	165.8	-155.8	39.7	-37	0	0	0	116.4
323	A	26.3	Very low	30.3	Very low	107 Å²	107	121.4 Å²	121.4	88%	0.884	80%	0.795	S	S	*	*			trans	-148.3	163.3	155.1	0	0	0	0	0	109.1
324	G	23.9	Very low	30.9	Very low	70 Å²	70	122.5 Å²	122.5	72%	0.722	79%	0.794	S	S	*	*			trans	-141.4	-152.6	171.2	0	0	0	0	0	109.7
325	P	40	Very low	30.6	Very low	112 Å²	112	120.4 Å²	120.4	73%	0.727	79%	0.787	S	S	*	*			cis	-136.3	-173.9	-13.6	42.8	-26.2	0	0	0	114.2
326	Q	28	Very low	30.6	Very low	156 Å²	156	123.8 Å²	123.8	73%	0.729	79%	0.794	S	S	*	*			trans	68	162.9	163.8	-67.4	175.9	-97.2	0	0	117
327	E	26.2	Very low	30.8	Very low	150 Å²	150	123.1 Å²	123.1	70%	0.701	79%	0.79	S	S	*	*			cis	-160	154	4.1	-143.6	155.3	-161.9	0	0	115.4
328	S	29.1	Very low	30.9	Very low	118 Å²	118	127.3 Å²	127.3	83%	0.825	80%	0.795	S	S	*	*			trans	61	167.1	157.7	75	0	0	0	0	117.9
329	A	27	Very low	31	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	79%	0.794	S	S	*	*			cis	-170.9	168.7	-10	0	0	0	0	0	107.7
330	A	26.6	Very low	31.2	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	79%	0.79	S	S	*	*			cis	-164	-168.1	-15.6	0	0	0	0	0	110.1
331	E	24.8	Very low	31.3	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	78%	0.784	S	S	*	*			trans	-101	-175.3	176	-89.2	-162	93.9	0	0	112.3
332	P	41.7	Very low	31.6	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	79%	0.785	S	S	*	*			cis	-147.5	-176	17.8	45.9	-24.4	0	0	0	120.6
333	T	31.2	Very low	31.3	Very low	112 Å²	112	129.4 Å²	129.4	69%	0.687	79%	0.789	S	S	*	*			trans	-14.8	169.1	155.9	62.7	0	0	0	0	121.4
334	P	41.7	Very low	32	Very low	119 Å²	119	130 Å²	130	77%	0.773	78%	0.783	S	S	*	*			cis	-155	159	33.6	44.3	-21	0	0	0	124.4
335	A	28.6	Very low	32.7	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	79%	0.786	S	S	*	*			trans	54.6	117.9	132.3	0	0	0	0	0	127.2
336	V	32.2	Very low	32.4	Very low	138 Å²	138	133.3 Å²	133.3	84%	0.836	79%	0.793	S	S	*	*				59.5	130.1	116.4	175	0	0	0	0	119.4
337	P	39.8	Very low	32.9	Very low	124 Å²	124	129.6 Å²	129.6	81%	0.805	80%	0.796	S	S	*	*				-144.6	174.8	57.7	34.9	-12.2	0	0	0	120.2
338	L	29.3	Very low	33.2	Very low	158 Å²	158	127.1 Å²	127.1	83%	0.827	80%	0.801	S	S	*	*			trans	-76.5	167.7	170.1	-64.8	156.1	0	0	0	111
339	K	27.4	Very low	33.4	Very low	190 Å²	190	127 Å²	127	83%	0.826	80%	0.797	S	S	*	*			cis	-165.9	-171	27.5	-131.8	169.8	179.4	-177.8	0	105.9
340	P	37.3	Very low	33.8	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	79%	0.793	S	S	*	*			cis	-127.2	-161.9	-5.4	42.5	-23.6	0	0	0	114.1
341	A	30.1	Very low	33.9	Very low	98 Å²	98	131.5 Å²	131.5	81%	0.81	79%	0.794	S	S	*	*			trans	-83.6	158.4	-171.6	0	0	0	0	0	115.1
342	Q	33.7	Very low	34.2	Very low	192 Å²	192	131.2 Å²	131.2	90%	0.897	79%	0.792	S	S	*	*			trans	-132.3	150	160.6	-69.9	-175.7	-11.8	0	0	108.8
343	E	33.5	Very low	34	Very low	189 Å²	189	131.5 Å²	131.5	88%	0.883	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.2	145.5	-173.8	-60.3	-171.1	120.4	0	0	113
344	P	40.1	Very low	34.1	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.2	141.2	172	32.2	-33.6	0	0	0	111.6
345	P	38.4	Very low	33.5	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.8	149.2	-177.2	29.2	-35.5	0	0	0	113.2
346	P	34.8	Very low	34	Very low	134 Å²	134	137.9 Å²	137.9	87%	0.87	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.4	141.3	-179	32.4	-35.3	0	0	0	112.4
347	G	38.4	Very low	34.3	Very low	77 Å²	77	139 Å²	139	79%	0.794	81%	0.806	S	S	*	*			trans	176.8	11	177	0	0	0	0	0	119.1	P349	G347-P349 WeakPolarHBondContact O-CD 3.18Å
348	A	31	Very low	34.3	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.4	121.5	-178.3	0	0	0	0	0	112.4
349	P	33.7	Very low	34.8	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.7	156.5	168.4	-21.9	35	0	0	0	112.3	G347	G347-P349 WeakPolarHBondContact O-CD 3.18Å
350	P	34.8	Very low	35.5	Very low	107 Å²	107	134.7 Å²	134.7	70%	0.695	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.4	147.4	-157.8	28	-36.4	0	0	0	115
351	E	30.4	Very low	36.2	Very low	184 Å²	184	132.5 Å²	132.5	86%	0.86	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.8	134.8	163.6	-63.4	-170	101.4	0	0	110.7
352	H	30.9	Very low	37.2	Very low	168 Å²	168	131.9 Å²	131.9	78%	0.778	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-97.4	147.3	164.9	-89.6	-70.3	0	0	0	110.6
353	P	36.8	Very low	38.7	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.4	147.7	-161.1	-26.5	36.1	0	0	0	115.3	D355	P353-D355 PolarHBondContact O-N 2.89Å; P353-D355 VanDerWaalsContact O-N 3.12Å
354	Q	33.8	Very low	40.5	Very low	182 Å²	182	122.5 Å²	122.5	85%	0.85	73%	0.729	S	S	*	*			trans	-65.3	106.9	171.9	-62.9	177.3	0.3	0	0	110.4
355	D	28.7	Very low	41.9	Very low	154 Å²	154	119.8 Å²	119.8	82%	0.824	71%	0.713	S	S	*	*			trans	-60.3	131.9	167.3	-103	-40.3	0	0	0	109.6	P353 I357	P353-D355 PolarHBondContact O-N 2.89Å; P353-D355 VanDerWaalsContact O-N 3.12Å; D355-I357 PolarHBondContact O-N 3.15Å
356	P	40	Very low	43.5	Very low	115 Å²	115	114.1 Å²	114.1	75%	0.747	68%	0.676	S	S	*	*			trans	-57.7	134	-176	-28.1	35.5	0	0	0	113.7	E358	P356-E358 PolarHBondContact O-N 3.11Å
357	I	37.2	Very low	45.3	Very low	162 Å²	162	114 Å²	114	83%	0.831	67%	0.668	S	S	*	*			trans	-57.4	107.5	179.5	-57.5	175	0	0	0	110	D355 A359	D355-I357 PolarHBondContact O-N 3.15Å; I357-A359 PolarHBondContact O-N 3.18Å
358	E	39.6	Very low	46.7	Very low	182 Å²	182	115 Å²	115	85%	0.85	66%	0.655	S	S	*	*			trans	-58.8	110.2	169.6	-86.6	-158.8	149	0	0	109.1	P356	P356-E358 PolarHBondContact O-N 3.11Å
359	A	39.3	Very low	48.6	Very low	84 Å²	84	113 Å²	113	69%	0.694	64%	0.635	S	S	*	*			trans	-51.9	141.5	-178	0	0	0	0	0	112.1	I357	I357-A359 PolarHBondContact O-N 3.18Å
360	P	42.4	Very low	49.9	Very low	115 Å²	115	110.2 Å²	110.2	75%	0.747	63%	0.627	S	S	*	*			trans	-56.6	137	-171.3	21	-33	0	0	0	111.8	S362	P360-S362 PolarHBondContact O-N 3.48Å
361	P	52.1	Low	51.3	Low	74 Å²	74	112.6 Å²	112.6	48%	0.481	62%	0.622	S	S	.	*			trans	-67.7	104.8	-166.5	26.4	-35.6	0	0	0	111.1	L363	P361-L363 PolarHBondContact O-N 2.81Å; P361-L363 VanDerWaalsContact O-N 3.14Å
362	S	52.4	Low	53	Low	85 Å²	85	107.4 Å²	107.4	59%	0.594	61%	0.606	S	S	*	*			trans	-36.7	112.4	-169	50.7	0	0	0	0	113.8	P360	P360-S362 PolarHBondContact O-N 3.48Å
363	L	64.5	Low	55	Low	95 Å²	95	101.5 Å²	101.5	50%	0.497	58%	0.578	S	S	.	*			trans	-89.3	130	171.1	-63.9	179.2	0	0	0	107.8	P361 S365 R374	P361-L363 PolarHBondContact O-N 2.81Å; P361-L363 VanDerWaalsContact O-N 3.14Å; L363-S365 PolarHBondContact O-N 3.19Å; L363-S365 VanDerWaalsContact O-N 3.12Å; L363-R374 HydrophobicContact CD2-CG 4.23Å
364	Y	71.2	Confident	56.2	Low	89 Å²	89	100.5 Å²	100.5	35%	0.349	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81	95.2	-178.7	-65.1	-91.5	0	0	0	108.4	F373 E376	Y364-F373 PolarHBondContact N-O 3.27Å; Y364-F373 PolarHBondContact O-N 3.41Å; Y364-E376 HydrophobicContact CD1-CB 3.73Å; Y364-E376 HydrophobicContact CD1-CG 3.84Å; Y364-E376 HydrophobicContact CD2-CB 4.26Å; Y364-E376 HydrophobicContact CE1-CB 3.57Å; Y364-E376 HydrophobicContact CE1-CG 3.77Å; Y364-E376 HydrophobicContact CE2-CB 4.11Å; Y364-E376 HydrophobicContact CG-CB 4.07Å
365	S	69.4	Low	58	Low	61 Å²	61	94.2 Å²	94.2	43%	0.427	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	148.1	174.9	42.3	0	0	0	0	112.1	L363 R371 L379	L363-S365 PolarHBondContact O-N 3.19Å; L363-S365 VanDerWaalsContact O-N 3.12Å; S365-R371 CarbonylContact C-O 3.32Å; S365-L379 VanDerWaalsContact O-CD1 3.24Å; S365-L379 WeakPolarHBondContact O-CD1 3.49Å; S365-L379 WeakPolarHBondContact O-CD2 3.3Å
366	C	72.7	Confident	60.2	Low	0 Å²	0	90.6 Å²	90.6	0%	0	51%	0.51	C	S	.	.			trans	-101.9	115.4	168.4	-158.3	0	0	0	0	108.3	D368 C369 G370 R371 F373 L379 H382 Q383 H386	C366-D368 VanDerWaalsContact C-N 3.26Å; C366-D368 PolarHBondContact O-N 2.88Å; C366-D368 PolarHBondContact SG-OD2 3.43Å; C366-C369 PolarHBondContact O-N 2.91Å; C366-G370 WeakPolarHBondContact O-CA 3.46Å; C366-G370 PolarHBondContact O-N 2.88Å; C366-R371 WeakPolarHBondContact CB-O 3.45Å; C366-R371 PolarHBondContact N-O 2.9Å; C366-F373 HydrophobicContact CB-CE2 4.32Å; C366-L379 VanDerWaalsContact CA-CD1 3.46Å; C366-L379 HydrophobicContact CB-CD1 3.46Å; C366-L379 VanDerWaalsContact CB-CD1 3.46Å; C366-H382 PolarHBondContact SG-CD2 3.13Å; C366-Q383 WeakPolarHBondContact SG-CG 3.46Å; C366-H386 VanDerWaalsContact SG-CD2 3.51Å; C366-H386 PolarHBondContact SG-NE2 2.93Å; C366-H386 VanDerWaalsContact SG-NE2 3.42Å
367	D	71.6	Confident	61.8	Low	132 Å²	132	92.8 Å²	92.8	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.1	-170.3	-43.5	-75.3	0	0	0	110.7	C369	D367-C369 VanDerWaalsContact C-N 3.27Å; D367-C369 PolarHBondContact O-N 3.35Å
368	D	68.1	Low	63.5	Low	98 Å²	98	89.7 Å²	89.7	52%	0.524	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.2	177.9	-28.7	-102.3	0	0	0	114.9	C366 H386	C366-D368 VanDerWaalsContact C-N 3.26Å; C366-D368 PolarHBondContact O-N 2.88Å; C366-D368 PolarHBondContact SG-OD2 3.43Å; D368-H386 HydrophobicContact CB-CB 4.27Å; D368-H386 IonicContact OD2-CD2 3.66Å; D368-H386 PolarHBondContact OD2-CD2 3.19Å; D368-H386 VanDerWaalsContact OD2-CD2 3.23Å; D368-H386 IonicContact OD2-NE2 3.74Å
369	C	71.1	Confident	65.2	Low	56 Å²	56	81.8 Å²	81.8	38%	0.378	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.8	17.4	-177.2	80.6	0	0	0	0	116.7	C366 D367 R371 H382 H386	C366-C369 PolarHBondContact O-N 2.91Å; D367-C369 VanDerWaalsContact C-N 3.27Å; D367-C369 PolarHBondContact O-N 3.35Å; C369-R371 PolarHBondContact O-N 3.49Å; C369-H382 PolarHBondContact SG-NE2 3.42Å; C369-H386 VanDerWaalsContact SG-CE1 3.58Å; C369-H386 PolarHBondContact SG-NE2 3.37Å; C369-H386 VanDerWaalsContact SG-NE2 3.45Å
370	G	61.5	Low	66.8	Low	57 Å²	57	85 Å²	85	59%	0.588	44%	0.441	S	S	*	.			trans	65.9	-4.7	178.5	0	0	0	0	0	116.7	C366 S372	C366-G370 WeakPolarHBondContact O-CA 3.46Å; C366-G370 PolarHBondContact O-N 2.88Å; G370-S372 PolarHBondContact O-N 3.49Å
371	R	64.7	Low	68.2	Low	156 Å²	156	82 Å²	82	59%	0.589	43%	0.426	S	S	*	.			trans	-70	120.2	-172.8	-76.1	-177.6	173.3	174.1	1.5	112.1	S365 C366 C369 F373	S365-R371 CarbonylContact C-O 3.32Å; C366-R371 WeakPolarHBondContact CB-O 3.45Å; C366-R371 PolarHBondContact N-O 2.9Å; C369-R371 PolarHBondContact O-N 3.49Å; R371-F373 HydrophobicContact CB-CE2 3.63Å; R371-F373 HydrophobicContact CB-CZ 3.99Å; R371-F373 WeakPolarHBondContact O-CD2 3.44Å; R371-F373 WeakPolarHBondContact O-CE2 3.49Å
372	S	65	Low	69.2	Low	75 Å²	75	78.8 Å²	78.8	52%	0.524	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.4	-178.3	12.6	0	0	0	0	113	G370	G370-S372 PolarHBondContact O-N 3.49Å
373	F	72.7	Confident	70.1	Confident	45 Å²	45	77.2 Å²	77.2	20%	0.197	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.5	-176.3	-65.6	-90.8	0	0	0	112.1	Y364 C366 R371 L375 F378 L379 H382	Y364-F373 PolarHBondContact N-O 3.27Å; Y364-F373 PolarHBondContact O-N 3.41Å; C366-F373 HydrophobicContact CB-CE2 4.32Å; R371-F373 HydrophobicContact CB-CE2 3.63Å; R371-F373 HydrophobicContact CB-CZ 3.99Å; R371-F373 WeakPolarHBondContact O-CD2 3.44Å; R371-F373 WeakPolarHBondContact O-CE2 3.49Å; F373-L375 PolarHBondContact O-N 3.27Å; F373-F378 HydrophobicContact CB-CB 4.23Å; F373-F378 HydrophobicContact CD1-CB 3.88Å; F373-F378 HydrophobicContact CG-CB 4.36Å; F373-L379 HydrophobicContact CB-CB 4.15Å; F373-L379 HydrophobicContact CD2-CB 4.1Å; F373-L379 HydrophobicContact CD2-CD1 4.03Å; F373-L379 HydrophobicContact CE2-CD1 4.42Å; F373-L379 HydrophobicContact CG-CB 4.31Å; F373-H382 HydrophobicContact CE1-CB 3.96Å; F373-H382 HydrophobicContact CE2-CB 3.89Å; F373-H382 AromaticContact CE2-CD2 3.15Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.15Å; F373-H382 AromaticContact CE2-CG 3.63Å; F373-H382 AromaticContact CE2-NE2 3.95Å; F373-H382 HydrophobicContact CZ-CB 3.5Å; F373-H382 VanDerWaalsContact CZ-CB 3.5Å; F373-H382 AromaticContact CZ-CD2 3.28Å; F373-H382 WeakPolarHBondContact CZ-CD2 3.42Å; F373-H382 AromaticContact CZ-CG 3.28Å; F373-H382 AromaticContact CZ-NE2 3.97Å
374	R	62.7	Low	70.5	Confident	94 Å²	94	77.5 Å²	77.5	36%	0.355	38%	0.382	S	S	.	.	S	Bend	trans	-63.6	-11.8	-178.5	-69.1	179.9	171.2	120.4	0.3	115.1	K301 L363	K301-R374 PolarHBondContact O-NE 3.5Å; K301-R374 PolarHBondContact O-NH2 3.17Å; L363-R374 HydrophobicContact CD2-CG 4.23Å
375	L	72.1	Confident	70.1	Confident	50 Å²	50	80 Å²	80	26%	0.262	40%	0.397	S	S	.	.	S	Bend	trans	-154.5	136.1	-179	-64	174.3	0	0	0	110.3	F373 R377 F378 L379	F373-L375 PolarHBondContact O-N 3.27Å; L375-R377 VanDerWaalsContact C-N 3.28Å; L375-R377 HydrophobicContact CB-CG 4.31Å; L375-R377 VanDerWaalsContact CD1-CZ 3.47Å; L375-R377 PolarHBondContact O-N 2.9Å; L375-R377 VanDerWaalsContact O-N 3.16Å; L375-F378 HydrophobicContact CB-CD2 3.99Å; L375-F378 HydrophobicContact CD1-CD2 4.29Å; L375-F378 HydrophobicContact CD1-CE2 3.99Å; L375-F378 WeakPolarHBondContact O-CB 3.23Å; L375-F378 PolarHBondContact O-N 3.37Å; L375-L379 PolarHBondContact O-N 3.09Å
376	E	72.9	Confident	70	Confident	77 Å²	77	80.6 Å²	80.6	36%	0.36	39%	0.393	S	S	.	.	H	α-helix	trans	-48.5	-42.1	179.4	-163.6	-163.4	146.5	0	0	114.2	Y364 F378 L379 R380	Y364-E376 HydrophobicContact CD1-CB 3.73Å; Y364-E376 HydrophobicContact CD1-CG 3.84Å; Y364-E376 HydrophobicContact CD2-CB 4.26Å; Y364-E376 HydrophobicContact CE1-CB 3.57Å; Y364-E376 HydrophobicContact CE1-CG 3.77Å; Y364-E376 HydrophobicContact CE2-CB 4.11Å; Y364-E376 HydrophobicContact CG-CB 4.07Å; E376-F378 PolarHBondContact O-N 2.85Å; E376-F378 VanDerWaalsContact O-N 3.09Å; E376-L379 WeakPolarHBondContact O-CB 3.42Å; E376-L379 PolarHBondContact O-N 2.89Å; E376-R380 PolarHBondContact O-N 3.12Å; E376-R380 IonicContact OE1-CZ 2.71Å; E376-R380 IonicContact OE1-NE 2.84Å; E376-R380 PolarHBondContact OE1-NE 3.33Å; E376-R380 IonicContact OE1-NH2 3.53Å; E376-R380 PolarHBondContact OE1-NH2 3.44Å
377	R	74.2	Confident	69.6	Low	161 Å²	161	85 Å²	85	61%	0.608	42%	0.42	S	S	*	.	H	α-helix	trans	-62.3	-19	178.7	68.6	163.7	-175.6	-100.1	-0.5	114.3	L375 A381	L375-R377 VanDerWaalsContact C-N 3.28Å; L375-R377 HydrophobicContact CB-CG 4.31Å; L375-R377 VanDerWaalsContact CD1-CZ 3.47Å; L375-R377 PolarHBondContact O-N 2.9Å; L375-R377 VanDerWaalsContact O-N 3.16Å; R377-A381 VanDerWaalsContact O-CB 3.3Å; R377-A381 WeakPolarHBondContact O-CB 3.48Å; R377-A381 PolarHBondContact O-N 3.35Å
378	F	72.6	Confident	69.2	Low	98 Å²	98	81 Å²	81	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-91.1	-33.9	174.4	-65.9	-47.5	0	0	0	111.4	F373 L375 E376 A381 H382	F373-F378 HydrophobicContact CB-CB 4.23Å; F373-F378 HydrophobicContact CD1-CB 3.88Å; F373-F378 HydrophobicContact CG-CB 4.36Å; L375-F378 HydrophobicContact CB-CD2 3.99Å; L375-F378 HydrophobicContact CD1-CD2 4.29Å; L375-F378 HydrophobicContact CD1-CE2 3.99Å; L375-F378 WeakPolarHBondContact O-CB 3.23Å; L375-F378 PolarHBondContact O-N 3.37Å; E376-F378 PolarHBondContact O-N 2.85Å; E376-F378 VanDerWaalsContact O-N 3.09Å; F378-A381 PolarHBondContact O-N 2.84Å; F378-H382 WeakPolarHBondContact O-CB 3.39Å; F378-H382 PolarHBondContact O-N 3.06Å
379	L	75.2	Confident	69	Low	16 Å²	16	80.9 Å²	80.9	8%	0.084	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-55.8	165.9	170.8	62.3	0	0	0	110.5	S365 C366 F373 L375 E376 A381 H382 Q383	S365-L379 VanDerWaalsContact O-CD1 3.24Å; S365-L379 WeakPolarHBondContact O-CD1 3.49Å; S365-L379 WeakPolarHBondContact O-CD2 3.3Å; C366-L379 VanDerWaalsContact CA-CD1 3.46Å; C366-L379 HydrophobicContact CB-CD1 3.46Å; C366-L379 VanDerWaalsContact CB-CD1 3.46Å; F373-L379 HydrophobicContact CB-CB 4.15Å; F373-L379 HydrophobicContact CD2-CB 4.1Å; F373-L379 HydrophobicContact CD2-CD1 4.03Å; F373-L379 HydrophobicContact CE2-CD1 4.42Å; F373-L379 HydrophobicContact CG-CB 4.31Å; L375-L379 PolarHBondContact O-N 3.09Å; E376-L379 WeakPolarHBondContact O-CB 3.42Å; E376-L379 PolarHBondContact O-N 2.89Å; L379-A381 PolarHBondContact O-N 2.82Å; L379-A381 VanDerWaalsContact O-N 3.12Å; L379-H382 CarbonylContact O-C 3.57Å; L379-H382 WeakPolarHBondContact O-CA 3.34Å; L379-H382 WeakPolarHBondContact O-CB 3.33Å; L379-H382 PolarHBondContact O-N 2.81Å; L379-Q383 HydrophobicContact CD1-CG 3.79Å; L379-Q383 HydrophobicContact CG-CG 4.2Å; L379-Q383 PolarHBondContact O-N 2.93Å
380	R	73.3	Confident	69	Low	150 Å²	150	84.6 Å²	84.6	57%	0.566	41%	0.412	S	S	*	.	H	α-helix	trans	-59.3	-26.9	177.8	-67.3	-174.1	-173.9	-99.5	5	113.6	E376 H382 R384	E376-R380 PolarHBondContact O-N 3.12Å; E376-R380 IonicContact OE1-CZ 2.71Å; E376-R380 IonicContact OE1-NE 2.84Å; E376-R380 PolarHBondContact OE1-NE 3.33Å; E376-R380 IonicContact OE1-NH2 3.53Å; E376-R380 PolarHBondContact OE1-NH2 3.44Å; R380-H382 VanDerWaalsContact C-N 3.34Å; R380-R384 VanDerWaalsContact O-CG 3.32Å; R380-R384 WeakPolarHBondContact O-CG 3.45Å
381	A	71.8	Confident	69.7	Low	52 Å²	52	85 Å²	85	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-82.8	-12	174.5	0	0	0	0	0	113.5	R377 F378 L379	R377-A381 VanDerWaalsContact O-CB 3.3Å; R377-A381 WeakPolarHBondContact O-CB 3.48Å; R377-A381 PolarHBondContact O-N 3.35Å; F378-A381 PolarHBondContact O-N 2.84Å; L379-A381 PolarHBondContact O-N 2.82Å; L379-A381 VanDerWaalsContact O-N 3.12Å
382	H	73.6	Confident	70.4	Confident	7 Å²	7	80.8 Å²	80.8	3%	0.032	39%	0.391	C	S	.	.	H	α-helix	trans	-100.1	-38.2	175.7	169.5	58.2	0	0	0	112.4	C366 C369 F373 F378 L379 R380 R384 Q385 H386	C366-H382 PolarHBondContact SG-CD2 3.13Å; C369-H382 PolarHBondContact SG-NE2 3.42Å; F373-H382 HydrophobicContact CE1-CB 3.96Å; F373-H382 HydrophobicContact CE2-CB 3.89Å; F373-H382 AromaticContact CE2-CD2 3.15Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.15Å; F373-H382 AromaticContact CE2-CG 3.63Å; F373-H382 AromaticContact CE2-NE2 3.95Å; F373-H382 HydrophobicContact CZ-CB 3.5Å; F373-H382 VanDerWaalsContact CZ-CB 3.5Å; F373-H382 AromaticContact CZ-CD2 3.28Å; F373-H382 WeakPolarHBondContact CZ-CD2 3.42Å; F373-H382 AromaticContact CZ-CG 3.28Å; F373-H382 AromaticContact CZ-NE2 3.97Å; F378-H382 WeakPolarHBondContact O-CB 3.39Å; F378-H382 PolarHBondContact O-N 3.06Å; L379-H382 CarbonylContact O-C 3.57Å; L379-H382 WeakPolarHBondContact O-CA 3.34Å; L379-H382 WeakPolarHBondContact O-CB 3.33Å; L379-H382 PolarHBondContact O-N 2.81Å; R380-H382 VanDerWaalsContact C-N 3.34Å; H382-R384 PolarHBondContact O-N 3.23Å; H382-R384 VanDerWaalsContact O-N 3.17Å; H382-Q385 PolarHBondContact ND1-OE1 3.34Å; H382-Q385 WeakPolarHBondContact O-CA 3.36Å; H382-Q385 WeakPolarHBondContact O-CB 3.44Å; H382-Q385 WeakPolarHBondContact O-CG 3.44Å; H382-Q385 PolarHBondContact O-N 3.5Å; H382-H386 AromaticContact CD2-NE2 3.86Å; H382-H386 AromaticContact CE1-CE1 3.6Å; H382-H386 AromaticContact CE1-NE2 3.42Å; H382-H386 PolarHBondContact CE1-NE2 3.17Å; H382-H386 AromaticContact NE2-CE1 3.72Å; H382-H386 AromaticContact NE2-NE2 3.13Å; H382-H386 PolarHBondContact NE2-NE2 3.4Å; H382-H386 VanDerWaalsContact NE2-NE2 3.13Å
383	Q	71.2	Confident	71	Confident	52 Å²	52	81 Å²	81	24%	0.243	39%	0.389	C	S	.	.	H	α-helix	trans	-53.9	-34.6	171.4	-75.5	167.8	-42.4	0	0	111.6	C366 L379 Q385 H386 T387	C366-Q383 WeakPolarHBondContact SG-CG 3.46Å; L379-Q383 HydrophobicContact CD1-CG 3.79Å; L379-Q383 HydrophobicContact CG-CG 4.2Å; L379-Q383 PolarHBondContact O-N 2.93Å; Q383-Q385 PolarHBondContact O-N 3.22Å; Q383-H386 PolarHBondContact O-N 3.11Å; Q383-T387 PolarHBondContact O-N 3.45Å; Q383-T387 PolarHBondContact O-OG1 3.42Å
384	R	72.1	Confident	71.5	Confident	101 Å²	101	79 Å²	79	38%	0.381	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-9.5	169.9	-71.1	-176.7	165.7	172.2	1.2	116.1	R380 H382 E389	R380-R384 VanDerWaalsContact O-CG 3.32Å; R380-R384 WeakPolarHBondContact O-CG 3.45Å; H382-R384 PolarHBondContact O-N 3.23Å; H382-R384 VanDerWaalsContact O-N 3.17Å; R384-E389 HydrophobicContact CB-CB 4.07Å; R384-E389 HydrophobicContact CG-CB 3.69Å; R384-E389 IonicContact CZ-OE2 3.65Å; R384-E389 IonicContact NE-OE2 2.94Å; R384-E389 PolarHBondContact NE-OE2 2.82Å; R384-E389 IonicContact NH2-OE2 3.63Å; R384-E389 PolarHBondContact NH2-OE2 3.2Å; R384-E389 PolarHBondContact O-N 3.4Å
385	Q	64.4	Low	72.3	Confident	141 Å²	141	79.4 Å²	79.4	66%	0.659	40%	0.404	S	S	*	.	H	α-helix	trans	-88.5	-24.4	172.3	-53.2	-173.9	-67.1	0	0	111.4	H382 Q383	H382-Q385 PolarHBondContact ND1-OE1 3.34Å; H382-Q385 WeakPolarHBondContact O-CA 3.36Å; H382-Q385 WeakPolarHBondContact O-CB 3.44Å; H382-Q385 WeakPolarHBondContact O-CG 3.44Å; H382-Q385 PolarHBondContact O-N 3.5Å; Q383-Q385 PolarHBondContact O-N 3.22Å
386	H	66.2	Low	72.6	Confident	75 Å²	75	82.9 Å²	82.9	35%	0.347	42%	0.419	S	S	.	.	H	α-helix	trans	-89.9	-49.8	175.5	-50.1	-49.9	0	0	0	110.9	C366 D368 C369 H382 Q383 G388	C366-H386 VanDerWaalsContact SG-CD2 3.51Å; C366-H386 PolarHBondContact SG-NE2 2.93Å; C366-H386 VanDerWaalsContact SG-NE2 3.42Å; D368-H386 HydrophobicContact CB-CB 4.27Å; D368-H386 IonicContact OD2-CD2 3.66Å; D368-H386 PolarHBondContact OD2-CD2 3.19Å; D368-H386 VanDerWaalsContact OD2-CD2 3.23Å; D368-H386 IonicContact OD2-NE2 3.74Å; C369-H386 VanDerWaalsContact SG-CE1 3.58Å; C369-H386 PolarHBondContact SG-NE2 3.37Å; C369-H386 VanDerWaalsContact SG-NE2 3.45Å; H382-H386 AromaticContact CD2-NE2 3.86Å; H382-H386 AromaticContact CE1-CE1 3.6Å; H382-H386 AromaticContact CE1-NE2 3.42Å; H382-H386 PolarHBondContact CE1-NE2 3.17Å; H382-H386 AromaticContact NE2-CE1 3.72Å; H382-H386 AromaticContact NE2-NE2 3.13Å; H382-H386 PolarHBondContact NE2-NE2 3.4Å; H382-H386 VanDerWaalsContact NE2-NE2 3.13Å; Q383-H386 PolarHBondContact O-N 3.11Å; H386-G388 PolarHBondContact O-N 3.25Å; H386-G388 VanDerWaalsContact O-N 3.08Å
387	T	65.1	Low	72.8	Confident	91 Å²	91	81.5 Å²	81.5	56%	0.558	42%	0.417	S	S	*	.	S	Bend	trans	-71.8	-1	178.9	65.8	0	0	0	0	114.3	Q383 E389	Q383-T387 PolarHBondContact O-N 3.45Å; Q383-T387 PolarHBondContact O-OG1 3.42Å; T387-E389 PolarHBondContact O-N 3.09Å
388	G	63.8	Low	73	Confident	48 Å²	48	76 Å²	76	50%	0.495	41%	0.411	S	S	.	.			trans	66	-1.5	-175.6	0	0	0	0	0	115.4	H386 R390	H386-G388 PolarHBondContact O-N 3.25Å; H386-G388 VanDerWaalsContact O-N 3.08Å; G388-R390 VanDerWaalsContact O-CG 3.3Å; G388-R390 WeakPolarHBondContact O-CG 3.45Å; G388-R390 PolarHBondContact O-N 3.27Å
389	E	62.8	Low	73.1	Confident	96 Å²	96	77.1 Å²	77.1	45%	0.449	42%	0.416	S	S	.	.			trans	-52.8	108.7	-177.8	-100.9	-166.4	-152.2	0	0	112	R384 T387 P391	R384-E389 HydrophobicContact CB-CB 4.07Å; R384-E389 HydrophobicContact CG-CB 3.69Å; R384-E389 IonicContact CZ-OE2 3.65Å; R384-E389 IonicContact NE-OE2 2.94Å; R384-E389 PolarHBondContact NE-OE2 2.82Å; R384-E389 IonicContact NH2-OE2 3.63Å; R384-E389 PolarHBondContact NH2-OE2 3.2Å; R384-E389 PolarHBondContact O-N 3.4Å; T387-E389 PolarHBondContact O-N 3.09Å; E389-P391 WeakPolarHBondContact O-CD 3.44Å
390	R	71.6	Confident	73.2	Confident	134 Å²	134	79.6 Å²	79.6	51%	0.506	43%	0.429	S	S	.	.			trans	-126.4	70.1	-179.9	-74.1	163.5	73.4	157.9	0.3	110.1	G388 F392 N400 F401	G388-R390 VanDerWaalsContact O-CG 3.3Å; G388-R390 WeakPolarHBondContact O-CG 3.45Å; G388-R390 PolarHBondContact O-N 3.27Å; R390-F392 PolarHBondContact O-N 2.85Å; R390-N400 HydrophobicContact CB-CB 3.53Å; R390-N400 PolarHBondContact NE-O 2.9Å; R390-N400 PolarHBondContact NH2-O 3.32Å; R390-F401 CarbonylContact C-O 3.52Å; R390-F401 WeakPolarHBondContact CA-O 3.49Å
391	P	76.3	Confident	73.5	Confident	66 Å²	66	74.2 Å²	74.2	43%	0.429	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-72.1	15.6	-162.6	-18.1	34.1	0	0	0	116.3	E389	E389-P391 WeakPolarHBondContact O-CD 3.44Å
392	F	78.3	Confident	73.5	Confident	68 Å²	68	73.4 Å²	73.4	30%	0.298	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	81.4	-179.6	-56.8	-72.8	0	0	0	108.9	R390 F401 K403 K404 L407	R390-F392 PolarHBondContact O-N 2.85Å; F392-F401 HydrophobicContact CB-CB 4.32Å; F392-F401 WeakPolarHBondContact CB-O 3.42Å; F392-F401 WeakPolarHBondContact CD2-O 3.27Å; F392-F401 PolarHBondContact N-O 2.83Å; F392-F401 VanDerWaalsContact N-O 3.15Å; F392-F401 PolarHBondContact O-N 3.36Å; F392-K403 VanDerWaalsContact CD2-C 3.44Å; F392-K404 HydrophobicContact CD1-CB 3.78Å; F392-K404 HydrophobicContact CD1-CG 4.23Å; F392-K404 HydrophobicContact CD2-CB 4.45Å; F392-K404 VanDerWaalsContact CD2-N 3.28Å; F392-K404 HydrophobicContact CE1-CB 3.74Å; F392-K404 HydrophobicContact CE1-CD 4.39Å; F392-K404 HydrophobicContact CE1-CG 4.38Å; F392-K404 HydrophobicContact CE2-CB 4.4Å; F392-K404 HydrophobicContact CG-CB 4.15Å; F392-K404 HydrophobicContact CZ-CB 4.06Å; F392-L407 HydrophobicContact CB-CB 4.1Å; F392-L407 HydrophobicContact CB-CD2 3.86Å
393	T	78.8	Confident	73.7	Confident	79 Å²	79	78.7 Å²	78.7	49%	0.485	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.9	176.9	-51.8	0	0	0	0	111.8	N400 L407	T393-N400 VanDerWaalsContact CB-OD1 3.29Å; T393-N400 WeakPolarHBondContact CB-OD1 3.48Å; T393-N400 VanDerWaalsContact CG2-OD1 3.25Å; T393-N400 WeakPolarHBondContact CG2-OD1 3.49Å; T393-N400 PolarHBondContact OG1-OD1 3.14Å; T393-L407 WeakPolarHBondContact O-CD2 3.4Å
394	C	83.4	Confident	74.1	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.014	45%	0.446	C	S	.	.			trans	-84.4	119.6	166.9	-168.3	0	0	0	0	109.6	E396 G398 K399 F401 L407	C394-E396 VanDerWaalsContact C-N 3.27Å; C394-E396 PolarHBondContact O-N 3.07Å; C394-G398 WeakPolarHBondContact O-CA 3.49Å; C394-G398 PolarHBondContact O-N 3.21Å; C394-K399 HydrophobicContact CB-CB 4.44Å; C394-K399 WeakPolarHBondContact CB-O 3.37Å; C394-K399 PolarHBondContact N-O 3.45Å; C394-F401 HydrophobicContact CB-CE2 4.48Å; C394-L407 HydrophobicContact CB-CD1 3.69Å
395	A	78.2	Confident	74.4	Confident	103 Å²	103	82.8 Å²	82.8	85%	0.851	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.2	-178.9	0	0	0	0	0	112.4	C397	A395-C397 PolarHBondContact O-N 3.23Å
396	E	79.5	Confident	75.3	Confident	124 Å²	124	80.8 Å²	80.8	58%	0.579	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	-172.2	-63.5	156.8	-102.1	0	0	114.1	C394 H414	C394-E396 VanDerWaalsContact C-N 3.27Å; C394-E396 PolarHBondContact O-N 3.07Å; E396-H414 WeakPolarHBondContact OE2-CB 3.28Å; E396-H414 IonicContact OE2-CD2 3.97Å; E396-H414 IonicContact OE2-CG 3.23Å
397	C	77.6	Confident	76.2	Confident	47 Å²	47	78.6 Å²	78.6	32%	0.318	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.5	18.2	179.4	71.7	0	0	0	0	115.7	A395 K399 H410 H414	A395-C397 PolarHBondContact O-N 3.23Å; C397-K399 PolarHBondContact O-N 3.46Å; C397-H410 PolarHBondContact SG-NE2 3.04Å; C397-H414 VanDerWaalsContact SG-CE1 3.54Å; C397-H414 PolarHBondContact SG-NE2 2.82Å
398	G	76.5	Confident	77.1	Confident	46 Å²	46	77.4 Å²	77.4	47%	0.474	43%	0.431	S	S	.	.			trans	65	-2.6	177.5	0	0	0	0	0	116.3	C394 N400	C394-G398 WeakPolarHBondContact O-CA 3.49Å; C394-G398 PolarHBondContact O-N 3.21Å; G398-N400 PolarHBondContact O-N 3.48Å; G398-N400 PolarHBondContact O-OD1 3.45Å
399	K	75.1	Confident	78	Confident	122 Å²	122	75.9 Å²	75.9	53%	0.53	41%	0.414	S	S	.	.			trans	-69.7	117.9	-173.6	-73.3	173.3	-169.5	161	0	111.1	C394 C397 F401	C394-K399 HydrophobicContact CB-CB 4.44Å; C394-K399 WeakPolarHBondContact CB-O 3.37Å; C394-K399 PolarHBondContact N-O 3.45Å; C397-K399 PolarHBondContact O-N 3.46Å; K399-F401 HydrophobicContact CB-CE2 3.83Å; K399-F401 HydrophobicContact CB-CZ 4.16Å; K399-F401 VanDerWaalsContact O-CD2 3.24Å; K399-F401 WeakPolarHBondContact O-CD2 3.4Å; K399-F401 WeakPolarHBondContact O-CE2 3.23Å
400	N	77.6	Confident	79.1	Confident	68 Å²	68	72.4 Å²	72.4	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.2	-178.9	-63.9	-36.3	0	0	0	111.9	R390 T393 G398	R390-N400 HydrophobicContact CB-CB 3.53Å; R390-N400 PolarHBondContact NE-O 2.9Å; R390-N400 PolarHBondContact NH2-O 3.32Å; T393-N400 VanDerWaalsContact CB-OD1 3.29Å; T393-N400 WeakPolarHBondContact CB-OD1 3.48Å; T393-N400 VanDerWaalsContact CG2-OD1 3.25Å; T393-N400 WeakPolarHBondContact CG2-OD1 3.49Å; T393-N400 PolarHBondContact OG1-OD1 3.14Å; G398-N400 PolarHBondContact O-N 3.48Å; G398-N400 PolarHBondContact O-OD1 3.45Å
401	F	79.2	Confident	79.6	Confident	37 Å²	37	67.8 Å²	67.8	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.5	176.6	-64.2	-90.8	0	0	0	112.6	R390 F392 C394 K399 K403 H406 L407 H410	R390-F401 CarbonylContact C-O 3.52Å; R390-F401 WeakPolarHBondContact CA-O 3.49Å; F392-F401 HydrophobicContact CB-CB 4.32Å; F392-F401 WeakPolarHBondContact CB-O 3.42Å; F392-F401 WeakPolarHBondContact CD2-O 3.27Å; F392-F401 PolarHBondContact N-O 2.83Å; F392-F401 VanDerWaalsContact N-O 3.15Å; F392-F401 PolarHBondContact O-N 3.36Å; C394-F401 HydrophobicContact CB-CE2 4.48Å; K399-F401 HydrophobicContact CB-CE2 3.83Å; K399-F401 HydrophobicContact CB-CZ 4.16Å; K399-F401 VanDerWaalsContact O-CD2 3.24Å; K399-F401 WeakPolarHBondContact O-CD2 3.4Å; K399-F401 WeakPolarHBondContact O-CE2 3.23Å; F401-K403 VanDerWaalsContact C-N 3.26Å; F401-K403 PolarHBondContact O-N 2.96Å; F401-H406 HydrophobicContact CB-CB 4.27Å; F401-H406 HydrophobicContact CD1-CB 3.78Å; F401-H406 HydrophobicContact CG-CB 4.3Å; F401-L407 HydrophobicContact CB-CB 4.32Å; F401-L407 HydrophobicContact CD2-CB 4.12Å; F401-L407 HydrophobicContact CD2-CD1 4.01Å; F401-L407 HydrophobicContact CE2-CD1 4.32Å; F401-L407 HydrophobicContact CG-CB 4.36Å; F401-H410 HydrophobicContact CE1-CB 4.12Å; F401-H410 HydrophobicContact CE2-CB 4.05Å; F401-H410 AromaticContact CE2-CD2 3.14Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.41Å; F401-H410 AromaticContact CE2-CG 3.71Å; F401-H410 AromaticContact CE2-NE2 3.89Å; F401-H410 HydrophobicContact CZ-CB 3.62Å; F401-H410 AromaticContact CZ-CD2 3.28Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.38Å; F401-H410 AromaticContact CZ-CG 3.36Å; F401-H410 AromaticContact CZ-NE2 3.97Å
402	G	73.2	Confident	80.1	Confident	35 Å²	35	67.2 Å²	67.2	36%	0.361	38%	0.375	S	S	.	.	S	Bend	trans	-75.3	-7.8	176.1	0	0	0	0	0	114.9
403	K	77.6	Confident	80.2	Confident	118 Å²	118	68.8 Å²	68.8	51%	0.513	39%	0.39	S	S	.	.	S	Bend	trans	-144	132	-178.6	-63.3	177.2	-173.5	168.6	0	111	F392 F401 T405 H406 L407	F392-K403 VanDerWaalsContact CD2-C 3.44Å; F401-K403 VanDerWaalsContact C-N 3.26Å; F401-K403 PolarHBondContact O-N 2.96Å; K403-T405 PolarHBondContact O-N 3.09Å; K403-T405 VanDerWaalsContact O-N 3.16Å; K403-H406 WeakPolarHBondContact O-CB 3.39Å; K403-H406 PolarHBondContact O-N 2.95Å; K403-L407 PolarHBondContact O-N 2.91Å
404	K	78.4	Confident	80.4	Confident	136 Å²	136	68.4 Å²	68.4	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-56	-32.4	176.2	-170.4	166.5	-177.6	168.9	0	113.4	F392 H406 L407 V408	F392-K404 HydrophobicContact CD1-CB 3.78Å; F392-K404 HydrophobicContact CD1-CG 4.23Å; F392-K404 HydrophobicContact CD2-CB 4.45Å; F392-K404 VanDerWaalsContact CD2-N 3.28Å; F392-K404 HydrophobicContact CE1-CB 3.74Å; F392-K404 HydrophobicContact CE1-CD 4.39Å; F392-K404 HydrophobicContact CE1-CG 4.38Å; F392-K404 HydrophobicContact CE2-CB 4.4Å; F392-K404 HydrophobicContact CG-CB 4.15Å; F392-K404 HydrophobicContact CZ-CB 4.06Å; K404-H406 VanDerWaalsContact C-N 3.28Å; K404-H406 PolarHBondContact O-N 3.44Å; K404-L407 PolarHBondContact O-N 2.99Å; K404-V408 HydrophobicContact CG-CG2 4.35Å; K404-V408 WeakPolarHBondContact O-CG2 3.3Å; K404-V408 PolarHBondContact O-N 2.79Å
405	T	79.9	Confident	80.3	Confident	102 Å²	102	71.8 Å²	71.8	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-65	-29.4	175.2	49.5	0	0	0	0	113.4	K403 A409	K403-T405 PolarHBondContact O-N 3.09Å; K403-T405 VanDerWaalsContact O-N 3.16Å; T405-A409 VanDerWaalsContact O-CB 3.3Å; T405-A409 WeakPolarHBondContact O-CB 3.47Å; T405-A409 PolarHBondContact O-N 3.48Å; T405-A409 VanDerWaalsContact O-N 3.13Å
406	H	82.9	Confident	80.4	Confident	99 Å²	99	69.2 Å²	69.2	46%	0.458	39%	0.39	S	S	.	.	H	α-helix	trans	-78.8	-38.4	176.5	-66.2	-156.8	0	0	0	110.4	F401 K403 K404 A409 H410	F401-H406 HydrophobicContact CB-CB 4.27Å; F401-H406 HydrophobicContact CD1-CB 3.78Å; F401-H406 HydrophobicContact CG-CB 4.3Å; K403-H406 WeakPolarHBondContact O-CB 3.39Å; K403-H406 PolarHBondContact O-N 2.95Å; K404-H406 VanDerWaalsContact C-N 3.28Å; K404-H406 PolarHBondContact O-N 3.44Å; H406-A409 CarbonylContact O-C 3.56Å; H406-A409 PolarHBondContact O-N 2.88Å; H406-H410 VanDerWaalsContact O-CB 3.31Å; H406-H410 WeakPolarHBondContact O-CB 3.46Å; H406-H410 PolarHBondContact O-N 3.37Å
407	L	84.3	Confident	80.5	Confident	29 Å²	29	67.9 Å²	67.9	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-58.9	-49.3	171.3	174.4	61.1	0	0	0	111.5	F392 T393 C394 F401 K403 K404 A409 H410 S411	F392-L407 HydrophobicContact CB-CB 4.1Å; F392-L407 HydrophobicContact CB-CD2 3.86Å; T393-L407 WeakPolarHBondContact O-CD2 3.4Å; C394-L407 HydrophobicContact CB-CD1 3.69Å; F401-L407 HydrophobicContact CB-CB 4.32Å; F401-L407 HydrophobicContact CD2-CB 4.12Å; F401-L407 HydrophobicContact CD2-CD1 4.01Å; F401-L407 HydrophobicContact CE2-CD1 4.32Å; F401-L407 HydrophobicContact CG-CB 4.36Å; K403-L407 PolarHBondContact O-N 2.91Å; K404-L407 PolarHBondContact O-N 2.99Å; L407-A409 VanDerWaalsContact C-N 3.26Å; L407-A409 PolarHBondContact O-N 2.83Å; L407-H410 CarbonylContact O-C 3.5Å; L407-H410 WeakPolarHBondContact O-CA 3.45Å; L407-H410 WeakPolarHBondContact O-CB 3.41Å; L407-H410 PolarHBondContact O-N 3.15Å; L407-S411 PolarHBondContact O-N 3.36Å
408	V	83.9	Confident	80.8	Confident	67 Å²	67	72.8 Å²	72.8	41%	0.406	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-25.9	177.8	173.3	0	0	0	0	112.7	K404 H410 S411	K404-V408 HydrophobicContact CG-CG2 4.35Å; K404-V408 WeakPolarHBondContact O-CG2 3.3Å; K404-V408 PolarHBondContact O-N 2.79Å; V408-H410 VanDerWaalsContact C-N 3.32Å; V408-S411 PolarHBondContact O-OG 3.37Å
409	A	83.6	Confident	81.2	Confident	15 Å²	15	73.7 Å²	73.7	12%	0.124	39%	0.393	C	S	.	.	H	α-helix	trans	-80.8	-13.9	171.3	0	0	0	0	0	113.2	T405 H406 L407 Q431	T405-A409 VanDerWaalsContact O-CB 3.3Å; T405-A409 WeakPolarHBondContact O-CB 3.47Å; T405-A409 PolarHBondContact O-N 3.48Å; T405-A409 VanDerWaalsContact O-N 3.13Å; H406-A409 CarbonylContact O-C 3.56Å; H406-A409 PolarHBondContact O-N 2.88Å; L407-A409 VanDerWaalsContact C-N 3.26Å; L407-A409 PolarHBondContact O-N 2.83Å; A409-Q431 HydrophobicContact CB-CG 4.21Å
410	H	85.5	Confident	81.7	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.106	38%	0.383	C	S	.	.	H	α-helix	trans	-97.3	-35.7	179.1	165.8	52.1	0	0	0	113	C397 F401 H406 L407 V408 R412 V413 H414	C397-H410 PolarHBondContact SG-NE2 3.04Å; F401-H410 HydrophobicContact CE1-CB 4.12Å; F401-H410 HydrophobicContact CE2-CB 4.05Å; F401-H410 AromaticContact CE2-CD2 3.14Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.41Å; F401-H410 AromaticContact CE2-CG 3.71Å; F401-H410 AromaticContact CE2-NE2 3.89Å; F401-H410 HydrophobicContact CZ-CB 3.62Å; F401-H410 AromaticContact CZ-CD2 3.28Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.38Å; F401-H410 AromaticContact CZ-CG 3.36Å; F401-H410 AromaticContact CZ-NE2 3.97Å; H406-H410 VanDerWaalsContact O-CB 3.31Å; H406-H410 WeakPolarHBondContact O-CB 3.46Å; H406-H410 PolarHBondContact O-N 3.37Å; L407-H410 CarbonylContact O-C 3.5Å; L407-H410 WeakPolarHBondContact O-CA 3.45Å; L407-H410 WeakPolarHBondContact O-CB 3.41Å; L407-H410 PolarHBondContact O-N 3.15Å; V408-H410 VanDerWaalsContact C-N 3.32Å; H410-R412 PolarHBondContact O-N 3.45Å; H410-R412 VanDerWaalsContact O-N 3.12Å; H410-V413 WeakPolarHBondContact O-CB 3.36Å; H410-V413 VanDerWaalsContact O-CG2 3.3Å; H410-V413 WeakPolarHBondContact O-CG2 3.32Å; H410-V413 PolarHBondContact O-N 2.81Å; H410-H414 AromaticContact CE1-NE2 3.55Å; H410-H414 AromaticContact NE2-NE2 3.53Å
411	S	82.8	Confident	82.1	Confident	37 Å²	37	70 Å²	70	26%	0.259	38%	0.381	S	S	.	.	H	α-helix	trans	-57.2	-29.2	175.4	58.4	0	0	0	0	112.3	L407 V408 V413 H414 S415	L407-S411 PolarHBondContact O-N 3.36Å; V408-S411 PolarHBondContact O-OG 3.37Å; S411-V413 PolarHBondContact O-N 3.39Å; S411-V413 VanDerWaalsContact O-N 3.1Å; S411-H414 PolarHBondContact O-N 3.39Å; S411-S415 PolarHBondContact O-N 3.45Å
412	R	85.1	Confident	82.5	Confident	55 Å²	55	68.4 Å²	68.4	21%	0.208	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.5	169.2	-64.1	-165.9	177.9	125.9	13.2	116	H410 G416 E417 S430	H410-R412 PolarHBondContact O-N 3.45Å; H410-R412 VanDerWaalsContact O-N 3.12Å; R412-G416 CarbonylContact O-C 3.58Å; R412-E417 HydrophobicContact CB-CB 3.94Å; R412-E417 HydrophobicContact CG-CB 3.7Å; R412-E417 IonicContact NE-OE2 3.2Å; R412-E417 PolarHBondContact NE-OE2 2.81Å; R412-E417 PolarHBondContact O-N 3.02Å; R412-S430 WeakPolarHBondContact CD-O 3Å; R412-S430 PolarHBondContact NH1-O 3.24Å
413	V	82.3	Confident	83	Confident	100 Å²	100	74.1 Å²	74.1	61%	0.606	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-33	170.8	-179.7	0	0	0	0	110.2	H410 S411	H410-V413 WeakPolarHBondContact O-CB 3.36Å; H410-V413 VanDerWaalsContact O-CG2 3.3Å; H410-V413 WeakPolarHBondContact O-CG2 3.32Å; H410-V413 PolarHBondContact O-N 2.81Å; S411-V413 PolarHBondContact O-N 3.39Å; S411-V413 VanDerWaalsContact O-N 3.1Å
414	H	81.5	Confident	83.2	Confident	72 Å²	72	74.8 Å²	74.8	33%	0.333	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-49	178.4	-55.2	-60.1	0	0	0	111.5	E396 C397 H410 S411 G416	E396-H414 WeakPolarHBondContact OE2-CB 3.28Å; E396-H414 IonicContact OE2-CD2 3.97Å; E396-H414 IonicContact OE2-CG 3.23Å; C397-H414 VanDerWaalsContact SG-CE1 3.54Å; C397-H414 PolarHBondContact SG-NE2 2.82Å; H410-H414 AromaticContact CE1-NE2 3.55Å; H410-H414 AromaticContact NE2-NE2 3.53Å; S411-H414 PolarHBondContact O-N 3.39Å; H414-G416 PolarHBondContact O-N 3.4Å; H414-G416 VanDerWaalsContact O-N 3.07Å
415	S	81.3	Confident	83.4	Confident	72 Å²	72	71.1 Å²	71.1	50%	0.503	39%	0.387	S	S	.	.	S	Bend	trans	-72.8	3.1	178	70.1	0	0	0	0	114.8	S411 E417	S411-S415 PolarHBondContact O-N 3.45Å; S415-E417 PolarHBondContact O-N 3.16Å
416	G	80.8	Confident	83.5	Confident	50 Å²	50	68.7 Å²	68.7	52%	0.515	38%	0.382	S	S	.	.			trans	64.3	-3.3	-176.1	0	0	0	0	0	115.6	R412 H414 R418	R412-G416 CarbonylContact O-C 3.58Å; H414-G416 PolarHBondContact O-N 3.4Å; H414-G416 VanDerWaalsContact O-N 3.07Å; G416-R418 PolarHBondContact O-N 2.96Å; G416-R418 VanDerWaalsContact O-N 3.12Å
417	E	81	Confident	83.5	Confident	96 Å²	96	71.6 Å²	71.6	45%	0.449	39%	0.389	S	S	.	.			trans	-53.2	115.4	-171.9	-97.1	-170.9	-152.2	0	0	113	R412 S415 P419 S430	R412-E417 HydrophobicContact CB-CB 3.94Å; R412-E417 HydrophobicContact CG-CB 3.7Å; R412-E417 IonicContact NE-OE2 3.2Å; R412-E417 PolarHBondContact NE-OE2 2.81Å; R412-E417 PolarHBondContact O-N 3.02Å; S415-E417 PolarHBondContact O-N 3.16Å; E417-P419 WeakPolarHBondContact O-CD 3.15Å; E417-S430 WeakPolarHBondContact O-CB 3.32Å
418	R	84.2	Confident	83.6	Confident	150 Å²	150	76.8 Å²	76.8	57%	0.566	41%	0.407	S	S	*	.			trans	-123.6	79.4	171.2	-70.3	170.7	152.5	-157.7	-6.5	110.6	G416 F420 R428 F429	G416-R418 PolarHBondContact O-N 2.96Å; G416-R418 VanDerWaalsContact O-N 3.12Å; R418-F420 VanDerWaalsContact C-N 3.28Å; R418-F420 PolarHBondContact O-N 2.73Å; R418-R428 HydrophobicContact CB-CB 3.53Å; R418-R428 VanDerWaalsContact CD-O 3.28Å; R418-R428 WeakPolarHBondContact CD-O 3.45Å; R418-R428 HydrophobicContact CG-CB 4.45Å; R418-R428 PolarHBondContact NE-O 2.99Å; R418-R428 PolarHBondContact NH1-O 3.08Å; R418-R428 PolarHBondContact O-NE 3.24Å; R418-R428 PolarHBondContact O-NH2 3.44Å; R418-R428 VanDerWaalsContact O-NH2 3.16Å; R418-F429 CarbonylContact C-O 3.54Å; R418-F429 WeakPolarHBondContact CA-O 3.19Å
419	P	85.1	Confident	83.6	Confident	64 Å²	64	75.6 Å²	75.6	42%	0.416	40%	0.396	S	S	.	.			trans	-70.8	-20.4	-176.4	-19	33.6	0	0	0	114	E417	E417-P419 WeakPolarHBondContact O-CD 3.15Å
420	F	86.1	Confident	83.6	Confident	75 Å²	75	76.1 Å²	76.1	33%	0.329	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	91.9	-171.2	-57.5	-82.3	0	0	0	110.3	R418 F429 Q431 G432 L435	R418-F420 VanDerWaalsContact C-N 3.28Å; R418-F420 PolarHBondContact O-N 2.73Å; F420-F429 HydrophobicContact CB-CB 4.29Å; F420-F429 WeakPolarHBondContact CB-O 3.14Å; F420-F429 WeakPolarHBondContact CD2-O 3.35Å; F420-F429 PolarHBondContact N-O 3.48Å; F420-F429 VanDerWaalsContact N-O 3.08Å; F420-F429 PolarHBondContact O-N 2.72Å; F420-Q431 VanDerWaalsContact CD2-C 3.47Å; F420-G432 VanDerWaalsContact CD2-N 3.32Å; F420-L435 HydrophobicContact CB-CB 4.09Å; F420-L435 HydrophobicContact CB-CD2 3.87Å
421	A	86.2	Confident	83.6	Confident	39 Å²	39	78.1 Å²	78.1	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	148.1	174.2	0	0	0	0	0	112.1	R428 L435	A421-R428 HydrophobicContact CB-CG 4.26Å; A421-L435 WeakPolarHBondContact O-CD2 3.48Å
422	C	87.3	Confident	83.7	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.014	41%	0.41	C	S	.	.			trans	-89.9	122.5	162	-171.1	0	0	0	0	108.7	E424 G426 R427 L435	C422-E424 PolarHBondContact O-N 3.06Å; C422-G426 VanDerWaalsContact O-CA 3.3Å; C422-G426 WeakPolarHBondContact O-CA 3.24Å; C422-G426 PolarHBondContact O-N 3.23Å; C422-R427 PolarHBondContact N-O 3.29Å; C422-L435 HydrophobicContact CB-CD1 3.65Å
423	E	83.4	Confident	83.6	Confident	155 Å²	155	78.3 Å²	78.3	72%	0.724	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.8	179.2	-66.9	113.9	-166.4	0	0	112.3	R439	E423-R439 IonicContact OE1-CZ 3.4Å; E423-R439 IonicContact OE1-NH2 3.24Å; E423-R439 PolarHBondContact OE1-NH2 3.27Å; E423-R439 IonicContact OE2-CZ 3.75Å; E423-R439 IonicContact OE2-NH1 3.76Å; E423-R439 PolarHBondContact OE2-NH1 2.88Å; E423-R439 IonicContact OE2-NH2 2.72Å; E423-R439 PolarHBondContact OE2-NH2 2.96Å
424	E	82.1	Confident	83.7	Confident	133 Å²	133	77.8 Å²	77.8	62%	0.621	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.5	-170.5	-158.7	179.8	137.3	0	0	114.4	C422 H442	C422-E424 PolarHBondContact O-N 3.06Å; E424-H442 VanDerWaalsContact OE1-CB 3.29Å; E424-H442 WeakPolarHBondContact OE1-CB 3.31Å; E424-H442 IonicContact OE1-CE1 3.48Å; E424-H442 IonicContact OE1-CG 3.81Å; E424-H442 VanDerWaalsContact OE1-CG 3.27Å; E424-H442 IonicContact OE1-ND1 2.72Å; E424-H442 PolarHBondContact OE1-ND1 3.14Å; E424-H442 VanDerWaalsContact OE2-CB 3.31Å; E424-H442 WeakPolarHBondContact OE2-CB 3.3Å; E424-H442 IonicContact OE2-CG 3.14Å; E424-H442 IonicContact OE2-ND1 2.76Å
425	C	82.4	Confident	83.8	Confident	58 Å²	58	75.1 Å²	75.1	39%	0.392	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	13.5	177.7	67.6	0	0	0	0	114.9	R427 H438 H442	C425-R427 PolarHBondContact O-N 2.77Å; C425-H438 PolarHBondContact SG-NE2 3.18Å; C425-H442 PolarHBondContact SG-NE2 3.12Å
426	G	81.2	Confident	83.9	Confident	51 Å²	51	74.4 Å²	74.4	53%	0.526	40%	0.4	S	S	.	.			trans	66.1	-10.8	-178.9	0	0	0	0	0	116.1	C422 R428	C422-G426 VanDerWaalsContact O-CA 3.3Å; C422-G426 WeakPolarHBondContact O-CA 3.24Å; C422-G426 PolarHBondContact O-N 3.23Å; G426-R428 VanDerWaalsContact O-CG 3.23Å; G426-R428 WeakPolarHBondContact O-CG 3.41Å; G426-R428 PolarHBondContact O-N 3.34Å
427	R	84.1	Confident	83.8	Confident	161 Å²	161	73.9 Å²	73.9	61%	0.608	39%	0.391	S	S	*	.			trans	-58.2	126.8	-175.4	-75.2	-177.5	169.4	-174.6	-0.4	111.4	C422 C425 F429	C422-R427 PolarHBondContact N-O 3.29Å; C425-R427 PolarHBondContact O-N 2.77Å; R427-F429 HydrophobicContact CB-CE2 3.8Å; R427-F429 HydrophobicContact CB-CZ 4.11Å; R427-F429 WeakPolarHBondContact O-CD2 3.36Å; R427-F429 VanDerWaalsContact O-CE2 3.3Å; R427-F429 WeakPolarHBondContact O-CE2 3.39Å
428	R	85.8	Confident	84	Confident	138 Å²	138	70 Å²	70	52%	0.521	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.3	-175.2	-48.6	-174.9	64.5	133.3	-0.5	112.1	R418 A421 G426	R418-R428 HydrophobicContact CB-CB 3.53Å; R418-R428 VanDerWaalsContact CD-O 3.28Å; R418-R428 WeakPolarHBondContact CD-O 3.45Å; R418-R428 HydrophobicContact CG-CB 4.45Å; R418-R428 PolarHBondContact NE-O 2.99Å; R418-R428 PolarHBondContact NH1-O 3.08Å; R418-R428 PolarHBondContact O-NE 3.24Å; R418-R428 PolarHBondContact O-NH2 3.44Å; R418-R428 VanDerWaalsContact O-NH2 3.16Å; A421-R428 HydrophobicContact CB-CG 4.26Å; G426-R428 VanDerWaalsContact O-CG 3.23Å; G426-R428 WeakPolarHBondContact O-CG 3.41Å; G426-R428 PolarHBondContact O-N 3.34Å
429	F	84.8	Confident	83.8	Confident	41 Å²	41	68.1 Å²	68.1	18%	0.18	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.6	-175.8	-60.2	-94.1	0	0	0	111.4	R418 F420 R427 Q431 H434 L435 H438	R418-F429 CarbonylContact C-O 3.54Å; R418-F429 WeakPolarHBondContact CA-O 3.19Å; F420-F429 HydrophobicContact CB-CB 4.29Å; F420-F429 WeakPolarHBondContact CB-O 3.14Å; F420-F429 WeakPolarHBondContact CD2-O 3.35Å; F420-F429 PolarHBondContact N-O 3.48Å; F420-F429 VanDerWaalsContact N-O 3.08Å; F420-F429 PolarHBondContact O-N 2.72Å; R427-F429 HydrophobicContact CB-CE2 3.8Å; R427-F429 HydrophobicContact CB-CZ 4.11Å; R427-F429 WeakPolarHBondContact O-CD2 3.36Å; R427-F429 VanDerWaalsContact O-CE2 3.3Å; R427-F429 WeakPolarHBondContact O-CE2 3.39Å; F429-Q431 VanDerWaalsContact C-N 3.33Å; F429-H434 HydrophobicContact CB-CB 4.36Å; F429-H434 HydrophobicContact CD1-CB 3.81Å; F429-H434 HydrophobicContact CG-CB 4.37Å; F429-L435 HydrophobicContact CB-CB 4.48Å; F429-L435 HydrophobicContact CD2-CB 4.21Å; F429-L435 HydrophobicContact CD2-CD1 4Å; F429-L435 HydrophobicContact CE2-CD1 4.23Å; F429-L435 HydrophobicContact CG-CB 4.45Å; F429-H438 HydrophobicContact CE1-CB 4.04Å; F429-H438 HydrophobicContact CE2-CB 4.06Å; F429-H438 AromaticContact CE2-CD2 3.3Å; F429-H438 WeakPolarHBondContact CE2-CD2 3.25Å; F429-H438 AromaticContact CE2-CG 3.87Å; F429-H438 HydrophobicContact CZ-CB 3.55Å; F429-H438 AromaticContact CZ-CD2 3.25Å; F429-H438 WeakPolarHBondContact CZ-CD2 3.37Å; F429-H438 AromaticContact CZ-CG 3.39Å
430	S	82.3	Confident	83.3	Confident	27 Å²	27	71.1 Å²	71.1	19%	0.189	37%	0.369	C	S	.	.	S	Bend	trans	-80.7	-12.6	176.2	54.8	0	0	0	0	113.7	R412 E417	R412-S430 WeakPolarHBondContact CD-O 3Å; R412-S430 PolarHBondContact NH1-O 3.24Å; E417-S430 WeakPolarHBondContact O-CB 3.32Å
431	Q	85.4	Confident	82.6	Confident	64 Å²	64	71.6 Å²	71.6	30%	0.299	38%	0.375	S	S	.	.	S	Bend	trans	-138.7	134.2	178.7	-53.7	-174.4	25.9	0	0	111.8	A409 F420 F429 S433 H434 L435	A409-Q431 HydrophobicContact CB-CG 4.21Å; F420-Q431 VanDerWaalsContact CD2-C 3.47Å; F429-Q431 VanDerWaalsContact C-N 3.33Å; Q431-S433 WeakPolarHBondContact CB-OG 3.36Å; Q431-S433 PolarHBondContact O-N 3.46Å; Q431-S433 PolarHBondContact OE1-OG 3.3Å; Q431-H434 PolarHBondContact O-N 2.98Å; Q431-L435 PolarHBondContact O-N 3.27Å
432	G	84.4	Confident	82	Confident	28 Å²	28	72 Å²	72	29%	0.289	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-21.8	176.3	0	0	0	0	0	114.3	F420 L435 A436	F420-G432 VanDerWaalsContact CD2-N 3.32Å; G432-L435 PolarHBondContact O-N 2.9Å; G432-A436 WeakPolarHBondContact O-CB 3.49Å; G432-A436 PolarHBondContact O-N 2.87Å
433	S	83.2	Confident	81	Confident	68 Å²	68	74 Å²	74	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-40.1	169.3	44.5	0	0	0	0	112.3	Q431 A436 A437	Q431-S433 WeakPolarHBondContact CB-OG 3.36Å; Q431-S433 PolarHBondContact O-N 3.46Å; Q431-S433 PolarHBondContact OE1-OG 3.3Å; S433-A436 PolarHBondContact O-N 3.33Å; S433-A437 PolarHBondContact O-N 3.26Å
434	H	84.7	Confident	80	Confident	90 Å²	90	72.6 Å²	72.6	42%	0.417	39%	0.391	S	S	.	.	H	α-helix	trans	-74.4	-37.7	176.6	-58.5	162.4	0	0	0	110.9	F429 Q431 A436 A437 H438	F429-H434 HydrophobicContact CB-CB 4.36Å; F429-H434 HydrophobicContact CD1-CB 3.81Å; F429-H434 HydrophobicContact CG-CB 4.37Å; Q431-H434 PolarHBondContact O-N 2.98Å; H434-A436 VanDerWaalsContact C-N 3.34Å; H434-A436 PolarHBondContact O-N 3.48Å; H434-A437 WeakPolarHBondContact O-CB 3.41Å; H434-A437 PolarHBondContact O-N 3.34Å; H434-A437 VanDerWaalsContact O-N 3.15Å; H434-H438 WeakPolarHBondContact O-CB 3.33Å; H434-H438 PolarHBondContact O-N 3.05Å
435	L	85	Confident	79.3	Confident	16 Å²	16	71 Å²	71	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-40.7	169.8	178.4	62.7	0	0	0	111.8	F420 A421 C422 F429 Q431 G432 A437 H438 R439	F420-L435 HydrophobicContact CB-CB 4.09Å; F420-L435 HydrophobicContact CB-CD2 3.87Å; A421-L435 WeakPolarHBondContact O-CD2 3.48Å; C422-L435 HydrophobicContact CB-CD1 3.65Å; F429-L435 HydrophobicContact CB-CB 4.48Å; F429-L435 HydrophobicContact CD2-CB 4.21Å; F429-L435 HydrophobicContact CD2-CD1 4Å; F429-L435 HydrophobicContact CE2-CD1 4.23Å; F429-L435 HydrophobicContact CG-CB 4.45Å; Q431-L435 PolarHBondContact O-N 3.27Å; G432-L435 PolarHBondContact O-N 2.9Å; L435-A437 VanDerWaalsContact C-N 3.27Å; L435-A437 PolarHBondContact O-N 2.95Å; L435-H438 PolarHBondContact O-N 2.94Å; L435-R439 HydrophobicContact CD1-CG 3.93Å; L435-R439 HydrophobicContact CG-CG 4.22Å; L435-R439 WeakPolarHBondContact O-CB 3.22Å; L435-R439 WeakPolarHBondContact O-CG 3.25Å; L435-R439 PolarHBondContact O-N 3.25Å
436	A	82.2	Confident	78.8	Confident	57 Å²	57	75.2 Å²	75.2	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-76.8	-9.6	176.2	0	0	0	0	0	114.1	G432 S433 H434 R440	G432-A436 WeakPolarHBondContact O-CB 3.49Å; G432-A436 PolarHBondContact O-N 2.87Å; S433-A436 PolarHBondContact O-N 3.33Å; H434-A436 VanDerWaalsContact C-N 3.34Å; H434-A436 PolarHBondContact O-N 3.48Å; A436-R440 PolarHBondContact O-NE 3.01Å; A436-R440 PolarHBondContact O-NH2 3.29Å; A436-R440 VanDerWaalsContact O-NH2 3.17Å
437	A	79.9	Confident	78.6	Confident	39 Å²	39	76 Å²	76	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-80.9	-52.5	161.6	0	0	0	0	0	109.7	S433 H434 L435 R439 R440	S433-A437 PolarHBondContact O-N 3.26Å; H434-A437 WeakPolarHBondContact O-CB 3.41Å; H434-A437 PolarHBondContact O-N 3.34Å; H434-A437 VanDerWaalsContact O-N 3.15Å; L435-A437 VanDerWaalsContact C-N 3.27Å; L435-A437 PolarHBondContact O-N 2.95Å; A437-R439 PolarHBondContact O-N 2.9Å; A437-R440 VanDerWaalsContact O-CB 3.27Å; A437-R440 WeakPolarHBondContact O-CB 3.41Å; A437-R440 PolarHBondContact O-N 3.06Å
438	H	83.9	Confident	78.4	Confident	15 Å²	15	71 Å²	71	7%	0.069	37%	0.373	C	S	.	.	H	α-helix	trans	-66.1	-35.6	-176.8	178.7	49.1	0	0	0	114.8	C425 F429 H434 L435 R440 D441 H442	C425-H438 PolarHBondContact SG-NE2 3.18Å; F429-H438 HydrophobicContact CE1-CB 4.04Å; F429-H438 HydrophobicContact CE2-CB 4.06Å; F429-H438 AromaticContact CE2-CD2 3.3Å; F429-H438 WeakPolarHBondContact CE2-CD2 3.25Å; F429-H438 AromaticContact CE2-CG 3.87Å; F429-H438 HydrophobicContact CZ-CB 3.55Å; F429-H438 AromaticContact CZ-CD2 3.25Å; F429-H438 WeakPolarHBondContact CZ-CD2 3.37Å; F429-H438 AromaticContact CZ-CG 3.39Å; H434-H438 WeakPolarHBondContact O-CB 3.33Å; H434-H438 PolarHBondContact O-N 3.05Å; L435-H438 PolarHBondContact O-N 2.94Å; H438-R440 PolarHBondContact O-N 2.86Å; H438-D441 WeakPolarHBondContact CA-OD2 3.18Å; H438-D441 IonicContact CE1-OD2 3.55Å; H438-D441 IonicContact CG-OD2 3.05Å; H438-D441 IonicContact ND1-OD2 2.7Å; H438-D441 PolarHBondContact ND1-OD2 3.15Å; H438-D441 VanDerWaalsContact O-CB 3.23Å; H438-D441 WeakPolarHBondContact O-CB 3.29Å; H438-D441 PolarHBondContact O-N 3.26Å; H438-H442 AromaticContact CE1-CD2 3.91Å; H438-H442 AromaticContact CE1-NE2 3.5Å; H438-H442 PolarHBondContact CE1-NE2 3.19Å; H438-H442 AromaticContact NE2-CD2 3.87Å; H438-H442 AromaticContact NE2-NE2 3.3Å; H438-H442 PolarHBondContact NE2-NE2 3.26Å
439	R	79.4	Confident	78.3	Confident	109 Å²	109	68.3 Å²	68.3	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-12.7	170.4	-78.1	-171.8	-171	-131	4.1	113.2	E423 L435 A437	E423-R439 IonicContact OE1-CZ 3.4Å; E423-R439 IonicContact OE1-NH2 3.24Å; E423-R439 PolarHBondContact OE1-NH2 3.27Å; E423-R439 IonicContact OE2-CZ 3.75Å; E423-R439 IonicContact OE2-NH1 3.76Å; E423-R439 PolarHBondContact OE2-NH1 2.88Å; E423-R439 IonicContact OE2-NH2 2.72Å; E423-R439 PolarHBondContact OE2-NH2 2.96Å; L435-R439 HydrophobicContact CD1-CG 3.93Å; L435-R439 HydrophobicContact CG-CG 4.22Å; L435-R439 WeakPolarHBondContact O-CB 3.22Å; L435-R439 WeakPolarHBondContact O-CG 3.25Å; L435-R439 PolarHBondContact O-N 3.25Å; A437-R439 PolarHBondContact O-N 2.9Å
440	R	76	Confident	78.4	Confident	127 Å²	127	66.3 Å²	66.3	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-74.8	-47.3	164.8	-71.9	171.6	-94	168.4	-4.1	110.4	A436 A437 H438 H442 A443 R458	A436-R440 PolarHBondContact O-NE 3.01Å; A436-R440 PolarHBondContact O-NH2 3.29Å; A436-R440 VanDerWaalsContact O-NH2 3.17Å; A437-R440 VanDerWaalsContact O-CB 3.27Å; A437-R440 WeakPolarHBondContact O-CB 3.41Å; A437-R440 PolarHBondContact O-N 3.06Å; H438-R440 PolarHBondContact O-N 2.86Å; R440-H442 PolarHBondContact O-N 2.9Å; R440-A443 PolarHBondContact O-N 3.1Å; R440-R458 VanDerWaalsContact C-CZ 3.45Å; R440-R458 VanDerWaalsContact C-NE 3.31Å; R440-R458 PolarHBondContact O-NE 3.43Å; R440-R458 VanDerWaalsContact O-NE 3.08Å; R440-R458 PolarHBondContact O-NH1 2.73Å; R440-R458 VanDerWaalsContact O-NH1 3.13Å; R440-R458 PolarHBondContact O-NH2 2.8Å
441	D	71.6	Confident	78.3	Confident	86 Å²	86	69.9 Å²	69.9	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-44.4	-37.4	-177	-56.3	-26.8	0	0	0	113.8	H438 R458	H438-D441 WeakPolarHBondContact CA-OD2 3.18Å; H438-D441 IonicContact CE1-OD2 3.55Å; H438-D441 IonicContact CG-OD2 3.05Å; H438-D441 IonicContact ND1-OD2 2.7Å; H438-D441 PolarHBondContact ND1-OD2 3.15Å; H438-D441 VanDerWaalsContact O-CB 3.23Å; H438-D441 WeakPolarHBondContact O-CB 3.29Å; H438-D441 PolarHBondContact O-N 3.26Å; D441-R458 VanDerWaalsContact C-NH1 3.33Å; D441-R458 PolarHBondContact O-NH1 3.48Å
442	H	73.3	Confident	78.2	Confident	48 Å²	48	70.2 Å²	70.2	22%	0.222	39%	0.389	C	S	.	.	H	α-helix	trans	-66.1	-45.5	174.8	-77.6	-68.1	0	0	0	116.1	E424 C425 H438 R440	E424-H442 VanDerWaalsContact OE1-CB 3.29Å; E424-H442 WeakPolarHBondContact OE1-CB 3.31Å; E424-H442 IonicContact OE1-CE1 3.48Å; E424-H442 IonicContact OE1-CG 3.81Å; E424-H442 VanDerWaalsContact OE1-CG 3.27Å; E424-H442 IonicContact OE1-ND1 2.72Å; E424-H442 PolarHBondContact OE1-ND1 3.14Å; E424-H442 VanDerWaalsContact OE2-CB 3.31Å; E424-H442 WeakPolarHBondContact OE2-CB 3.3Å; E424-H442 IonicContact OE2-CG 3.14Å; E424-H442 IonicContact OE2-ND1 2.76Å; C425-H442 PolarHBondContact SG-NE2 3.12Å; H438-H442 AromaticContact CE1-CD2 3.91Å; H438-H442 AromaticContact CE1-NE2 3.5Å; H438-H442 PolarHBondContact CE1-NE2 3.19Å; H438-H442 AromaticContact NE2-CD2 3.87Å; H438-H442 AromaticContact NE2-NE2 3.3Å; H438-H442 PolarHBondContact NE2-NE2 3.26Å; R440-H442 PolarHBondContact O-N 2.9Å
443	A	66.4	Low	78.2	Confident	43 Å²	43	71.3 Å²	71.3	36%	0.355	39%	0.392	S	S	.	.	S	Bend	trans	-59.4	135.1	-177.3	0	0	0	0	0	110.1	R440 D445 R458	R440-A443 PolarHBondContact O-N 3.1Å; A443-D445 PolarHBondContact O-N 3.03Å; A443-R458 PolarHBondContact O-NH1 2.93Å; A443-R458 PolarHBondContact O-NH2 2.81Å
444	P	60.8	Low	78	Confident	126 Å²	126	70.6 Å²	70.6	82%	0.818	40%	0.395	S	S	*	.	S	Bend	trans	-67.2	-20.5	-176.9	24.9	-33.8	0	0	0	113.2	R446	P444-R446 PolarHBondContact O-N 2.99Å
445	D	68.3	Low	77.7	Confident	100 Å²	100	72.4 Å²	72.4	54%	0.535	40%	0.402	S	S	.	.			trans	-58.3	114.5	179.7	177.8	30.2	0	0	0	113.2	A443 P447 R458	A443-D445 PolarHBondContact O-N 3.03Å; D445-P447 WeakPolarHBondContact O-CD 3.26Å; D445-P447 WeakPolarHBondContact OD1-CB 3.18Å; D445-P447 VanDerWaalsContact OD1-CD 3.29Å; D445-P447 WeakPolarHBondContact OD1-CD 3.3Å; D445-R458 PolarHBondContact O-NH2 2.95Å
446	R	72.2	Confident	77.6	Confident	146 Å²	146	73 Å²	73	55%	0.551	41%	0.409	S	S	*	.			trans	-119.1	73	174.4	-68	173.7	174.3	-143.5	14	108.7	P444 F448 A456 F457	P444-R446 PolarHBondContact O-N 2.99Å; R446-F448 PolarHBondContact O-N 3.19Å; R446-A456 HydrophobicContact CB-CB 3.64Å; R446-A456 WeakPolarHBondContact CD-O 3.21Å; R446-A456 HydrophobicContact CG-CB 4.47Å; R446-A456 PolarHBondContact NH1-O 2.94Å; R446-F457 CarbonylContact C-O 3.2Å
447	P	76.6	Confident	77.4	Confident	68 Å²	68	72.5 Å²	72.5	44%	0.442	40%	0.396	S	S	.	.			trans	-76.4	12.7	-161.2	30.7	-35	0	0	0	114.4	D445	D445-P447 WeakPolarHBondContact O-CD 3.26Å; D445-P447 WeakPolarHBondContact OD1-CB 3.18Å; D445-P447 VanDerWaalsContact OD1-CD 3.29Å; D445-P447 WeakPolarHBondContact OD1-CD 3.3Å
448	F	80.8	Confident	77.1	Confident	54 Å²	54	73 Å²	73	24%	0.237	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	78	-179.8	-50.1	-57.9	0	0	0	109.7	R446 F457 K460 L463	R446-F448 PolarHBondContact O-N 3.19Å; F448-F457 HydrophobicContact CB-CB 4.42Å; F448-F457 WeakPolarHBondContact CB-O 3.44Å; F448-F457 PolarHBondContact N-O 2.91Å; F448-F457 WeakPolarHBondContact O-CB 3.48Å; F448-F457 PolarHBondContact O-N 2.92Å; F448-K460 HydrophobicContact CD1-CD 4.32Å; F448-K460 HydrophobicContact CD1-CG 3.52Å; F448-K460 HydrophobicContact CD2-CG 4.16Å; F448-K460 HydrophobicContact CE1-CD 4.01Å; F448-K460 HydrophobicContact CE1-CG 3.46Å; F448-K460 VanDerWaalsContact CE1-CG 3.46Å; F448-K460 HydrophobicContact CE2-CG 4.08Å; F448-K460 HydrophobicContact CG-CG 3.89Å; F448-K460 HydrophobicContact CZ-CD 4.47Å; F448-K460 HydrophobicContact CZ-CG 3.74Å; F448-L463 HydrophobicContact CB-CB 4.22Å; F448-L463 HydrophobicContact CB-CD2 3.88Å
449	V	82.5	Confident	76.8	Confident	82 Å²	82	75.1 Å²	75.1	50%	0.497	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.9	175.7	-175.8	0	0	0	0	110.4	A456	V449-A456 HydrophobicContact CG2-CB 4.14Å
450	C	86.8	Confident	76.8	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.41	C	S	.	.			trans	-79.9	118.4	170	-158.6	0	0	0	0	109.6	D452 C453 G454 K455 F457 L463 H466	C450-D452 PolarHBondContact O-N 3.38Å; C450-D452 PolarHBondContact SG-OD2 2.86Å; C450-C453 PolarHBondContact O-N 2.89Å; C450-G454 WeakPolarHBondContact O-CA 3.41Å; C450-G454 PolarHBondContact O-N 3.07Å; C450-K455 WeakPolarHBondContact CB-O 3.43Å; C450-K455 PolarHBondContact N-O 2.75Å; C450-F457 HydrophobicContact CB-CE2 4.26Å; C450-L463 HydrophobicContact CB-CD1 3.63Å; C450-H466 PolarHBondContact SG-CD2 2.86Å
451	P	80.9	Confident	77.1	Confident	102 Å²	102	75.2 Å²	75.2	66%	0.662	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.1	179.7	26.4	-32.9	0	0	0	110.9	C453	P451-C453 VanDerWaalsContact C-N 3.27Å; P451-C453 PolarHBondContact O-N 2.97Å
452	D	82.9	Confident	77.5	Confident	71 Å²	71	78.3 Å²	78.3	38%	0.38	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.2	-171.8	-22.2	-101.2	0	0	0	113.4	C450 R467 H470	C450-D452 PolarHBondContact O-N 3.38Å; C450-D452 PolarHBondContact SG-OD2 2.86Å; D452-R467 IonicContact OD1-CZ 2.78Å; D452-R467 IonicContact OD1-NE 3.79Å; D452-R467 IonicContact OD1-NH2 3.71Å; D452-R467 PolarHBondContact OD1-NH2 2.78Å; D452-R467 IonicContact OD2-CZ 3.44Å; D452-R467 IonicContact OD2-NE 3.27Å; D452-R467 PolarHBondContact OD2-NE 2.71Å; D452-R467 IonicContact OD2-NH2 2.72Å; D452-H470 HydrophobicContact CB-CB 4.28Å; D452-H470 IonicContact OD2-CD2 2.72Å
453	C	84	Confident	78.1	Confident	51 Å²	51	77.3 Å²	77.3	35%	0.345	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.7	13	-179.3	69.5	0	0	0	0	116.5	C450 P451 K455 H466 H470	C450-C453 PolarHBondContact O-N 2.89Å; P451-C453 VanDerWaalsContact C-N 3.27Å; P451-C453 PolarHBondContact O-N 2.97Å; C453-K455 PolarHBondContact O-N 2.86Å; C453-H466 PolarHBondContact SG-NE2 3.37Å; C453-H470 PolarHBondContact SG-NE2 3.19Å
454	G	78.9	Confident	78.9	Confident	53 Å²	53	77.8 Å²	77.8	55%	0.546	42%	0.423	S	S	.	.			trans	67.6	-7	179.7	0	0	0	0	0	116.8	C450 A456	C450-G454 WeakPolarHBondContact O-CA 3.41Å; C450-G454 PolarHBondContact O-N 3.07Å; G454-A456 PolarHBondContact O-N 3.46Å
455	K	80.3	Confident	79.9	Confident	128 Å²	128	72.8 Å²	72.8	56%	0.557	39%	0.392	S	S	*	.			trans	-66.4	121.4	-176	-71.6	175.9	-178.6	170.3	0	111.4	C450 C453 F457	C450-K455 WeakPolarHBondContact CB-O 3.43Å; C450-K455 PolarHBondContact N-O 2.75Å; C453-K455 PolarHBondContact O-N 2.86Å; K455-F457 HydrophobicContact CB-CE2 3.78Å; K455-F457 HydrophobicContact CB-CZ 4.13Å; K455-F457 WeakPolarHBondContact O-CD2 3.38Å; K455-F457 WeakPolarHBondContact O-CE2 3.31Å
456	A	81	Confident	80.7	Confident	29 Å²	29	69.1 Å²	69.1	24%	0.24	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.5	-176.6	0	0	0	0	0	113	R446 V449 G454	R446-A456 HydrophobicContact CB-CB 3.64Å; R446-A456 WeakPolarHBondContact CD-O 3.21Å; R446-A456 HydrophobicContact CG-CB 4.47Å; R446-A456 PolarHBondContact NH1-O 2.94Å; V449-A456 HydrophobicContact CG2-CB 4.14Å; G454-A456 PolarHBondContact O-N 3.46Å
457	F	79.4	Confident	81.3	Confident	45 Å²	45	66.5 Å²	66.5	20%	0.197	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150	-177.3	-64.6	-89.5	0	0	0	113	R446 F448 C450 K455 L463 H466	R446-F457 CarbonylContact C-O 3.2Å; F448-F457 HydrophobicContact CB-CB 4.42Å; F448-F457 WeakPolarHBondContact CB-O 3.44Å; F448-F457 PolarHBondContact N-O 2.91Å; F448-F457 WeakPolarHBondContact O-CB 3.48Å; F448-F457 PolarHBondContact O-N 2.92Å; C450-F457 HydrophobicContact CB-CE2 4.26Å; K455-F457 HydrophobicContact CB-CE2 3.78Å; K455-F457 HydrophobicContact CB-CZ 4.13Å; K455-F457 WeakPolarHBondContact O-CD2 3.38Å; K455-F457 WeakPolarHBondContact O-CE2 3.31Å; F457-L463 HydrophobicContact CB-CB 4.19Å; F457-L463 HydrophobicContact CD2-CB 4.18Å; F457-L463 HydrophobicContact CD2-CD1 3.96Å; F457-L463 HydrophobicContact CE2-CD1 4.34Å; F457-L463 HydrophobicContact CG-CB 4.3Å; F457-H466 HydrophobicContact CE1-CB 3.98Å; F457-H466 HydrophobicContact CE2-CB 3.97Å; F457-H466 AromaticContact CE2-CD2 3.24Å; F457-H466 WeakPolarHBondContact CE2-CD2 3.48Å; F457-H466 AromaticContact CE2-CG 3.64Å; F457-H466 AromaticContact CE2-NE2 3.94Å; F457-H466 HydrophobicContact CZ-CB 3.55Å; F457-H466 AromaticContact CZ-CD2 3.32Å; F457-H466 WeakPolarHBondContact CZ-CD2 3.29Å; F457-H466 AromaticContact CZ-CG 3.24Å; F457-H466 AromaticContact CZ-ND1 3.79Å; F457-H466 AromaticContact CZ-NE2 3.9Å
458	R	74.1	Confident	81.7	Confident	50 Å²	50	65.9 Å²	65.9	19%	0.189	35%	0.351	C	S	.	.	S	Bend	trans	-80.5	-23.5	-178.9	168.6	142.6	-97.5	120.8	17.2	114.2	R440 D441 A443 D445	R440-R458 VanDerWaalsContact C-CZ 3.45Å; R440-R458 VanDerWaalsContact C-NE 3.31Å; R440-R458 PolarHBondContact O-NE 3.43Å; R440-R458 VanDerWaalsContact O-NE 3.08Å; R440-R458 PolarHBondContact O-NH1 2.73Å; R440-R458 VanDerWaalsContact O-NH1 3.13Å; R440-R458 PolarHBondContact O-NH2 2.8Å; D441-R458 VanDerWaalsContact C-NH1 3.33Å; D441-R458 PolarHBondContact O-NH1 3.48Å; A443-R458 PolarHBondContact O-NH1 2.93Å; A443-R458 PolarHBondContact O-NH2 2.81Å; D445-R458 PolarHBondContact O-NH2 2.95Å
459	H	77.1	Confident	81.7	Confident	59 Å²	59	68.6 Å²	68.6	27%	0.273	37%	0.367	S	S	.	.	S	Bend	trans	-142.7	140.1	179.3	-57.5	-61.5	0	0	0	112.6	P461 Y462 L463	H459-P461 VanDerWaalsContact C-CD 3.44Å; H459-P461 VanDerWaalsContact C-N 3.34Å; H459-Y462 HydrophobicContact CB-CD2 3.94Å; H459-Y462 HydrophobicContact CB-CE2 4.42Å; H459-Y462 AromaticContact CD2-CD2 3.96Å; H459-Y462 AromaticContact CD2-CE2 3.76Å; H459-Y462 PolarHBondContact O-N 2.79Å; H459-L463 PolarHBondContact O-N 3.27Å
460	K	79.6	Confident	81.6	Confident	145 Å²	145	68.5 Å²	68.5	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-48.7	-41.2	178.4	-66.3	-167.6	176	-167.8	0	114.9	F448 Y462 L463 A464	F448-K460 HydrophobicContact CD1-CD 4.32Å; F448-K460 HydrophobicContact CD1-CG 3.52Å; F448-K460 HydrophobicContact CD2-CG 4.16Å; F448-K460 HydrophobicContact CE1-CD 4.01Å; F448-K460 HydrophobicContact CE1-CG 3.46Å; F448-K460 VanDerWaalsContact CE1-CG 3.46Å; F448-K460 HydrophobicContact CE2-CG 4.08Å; F448-K460 HydrophobicContact CG-CG 3.89Å; F448-K460 HydrophobicContact CZ-CD 4.47Å; F448-K460 HydrophobicContact CZ-CG 3.74Å; K460-Y462 VanDerWaalsContact C-N 3.29Å; K460-Y462 PolarHBondContact O-N 3.1Å; K460-L463 PolarHBondContact O-N 3.07Å; K460-A464 WeakPolarHBondContact O-CB 3.42Å; K460-A464 PolarHBondContact O-N 3.34Å
461	P	81.4	Confident	81.3	Confident	93 Å²	93	71.4 Å²	71.4	60%	0.604	38%	0.378	S	S	*	.	H	α-helix	trans	-64.5	-29.4	178	-24.2	36.3	0	0	0	114.1	H459 A465	H459-P461 VanDerWaalsContact C-CD 3.44Å; H459-P461 VanDerWaalsContact C-N 3.34Å; P461-A465 WeakPolarHBondContact O-CB 3.24Å; P461-A465 PolarHBondContact O-N 3.31Å
462	Y	81.2	Confident	81.3	Confident	151 Å²	151	68.6 Å²	68.6	59%	0.592	37%	0.368	S	S	*	.	H	α-helix	trans	-76.7	-37.5	175.8	-63.5	-46.2	0	0	0	111.8	H459 K460 A465 H466	H459-Y462 HydrophobicContact CB-CD2 3.94Å; H459-Y462 HydrophobicContact CB-CE2 4.42Å; H459-Y462 AromaticContact CD2-CD2 3.96Å; H459-Y462 AromaticContact CD2-CE2 3.76Å; H459-Y462 PolarHBondContact O-N 2.79Å; K460-Y462 VanDerWaalsContact C-N 3.29Å; K460-Y462 PolarHBondContact O-N 3.1Å; Y462-A465 PolarHBondContact O-N 3.45Å; Y462-H466 VanDerWaalsContact O-CB 3.26Å; Y462-H466 WeakPolarHBondContact O-CB 3.2Å; Y462-H466 PolarHBondContact O-N 3.32Å
463	L	84.3	Confident	81.2	Confident	28 Å²	28	69.6 Å²	69.6	15%	0.147	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-47.2	168.2	172.4	59.1	0	0	0	110.9	F448 C450 F457 H459 K460 A465 H466 R467	F448-L463 HydrophobicContact CB-CB 4.22Å; F448-L463 HydrophobicContact CB-CD2 3.88Å; C450-L463 HydrophobicContact CB-CD1 3.63Å; F457-L463 HydrophobicContact CB-CB 4.19Å; F457-L463 HydrophobicContact CD2-CB 4.18Å; F457-L463 HydrophobicContact CD2-CD1 3.96Å; F457-L463 HydrophobicContact CE2-CD1 4.34Å; F457-L463 HydrophobicContact CG-CB 4.3Å; H459-L463 PolarHBondContact O-N 3.27Å; K460-L463 PolarHBondContact O-N 3.07Å; L463-A465 PolarHBondContact O-N 3.34Å; L463-H466 WeakPolarHBondContact O-CB 3.5Å; L463-H466 PolarHBondContact O-N 3.48Å; L463-H466 VanDerWaalsContact O-N 3.1Å; L463-R467 HydrophobicContact CD1-CG 3.96Å; L463-R467 HydrophobicContact CG-CG 4.48Å; L463-R467 WeakPolarHBondContact O-CG 3.14Å; L463-R467 PolarHBondContact O-N 3.12Å
464	A	83.1	Confident	81.2	Confident	53 Å²	53	73.2 Å²	73.2	44%	0.438	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-41.9	178.4	0	0	0	0	0	112.6	K460 H466	K460-A464 WeakPolarHBondContact O-CB 3.42Å; K460-A464 PolarHBondContact O-N 3.34Å; A464-H466 VanDerWaalsContact C-N 3.3Å; A464-H466 PolarHBondContact O-N 3.28Å
465	A	83	Confident	81.5	Confident	21 Å²	21	74 Å²	74	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-68.7	-27.5	174.3	0	0	0	0	0	113.2	P461 Y462 L463	P461-A465 WeakPolarHBondContact O-CB 3.24Å; P461-A465 PolarHBondContact O-N 3.31Å; Y462-A465 PolarHBondContact O-N 3.45Å; L463-A465 PolarHBondContact O-N 3.34Å
466	H	85.5	Confident	81.8	Confident	23 Å²	23	71.3 Å²	71.3	11%	0.106	36%	0.362	C	S	.	.	H	α-helix	trans	-76.4	-40.2	175	175.5	61.1	0	0	0	112.7	C450 C453 F457 Y462 L463 A464 R468 I469 H470	C450-H466 PolarHBondContact SG-CD2 2.86Å; C453-H466 PolarHBondContact SG-NE2 3.37Å; F457-H466 HydrophobicContact CE1-CB 3.98Å; F457-H466 HydrophobicContact CE2-CB 3.97Å; F457-H466 AromaticContact CE2-CD2 3.24Å; F457-H466 WeakPolarHBondContact CE2-CD2 3.48Å; F457-H466 AromaticContact CE2-CG 3.64Å; F457-H466 AromaticContact CE2-NE2 3.94Å; F457-H466 HydrophobicContact CZ-CB 3.55Å; F457-H466 AromaticContact CZ-CD2 3.32Å; F457-H466 WeakPolarHBondContact CZ-CD2 3.29Å; F457-H466 AromaticContact CZ-CG 3.24Å; F457-H466 AromaticContact CZ-ND1 3.79Å; F457-H466 AromaticContact CZ-NE2 3.9Å; Y462-H466 VanDerWaalsContact O-CB 3.26Å; Y462-H466 WeakPolarHBondContact O-CB 3.2Å; Y462-H466 PolarHBondContact O-N 3.32Å; L463-H466 WeakPolarHBondContact O-CB 3.5Å; L463-H466 PolarHBondContact O-N 3.48Å; L463-H466 VanDerWaalsContact O-N 3.1Å; A464-H466 VanDerWaalsContact C-N 3.3Å; A464-H466 PolarHBondContact O-N 3.28Å; H466-R468 PolarHBondContact O-N 3.25Å; H466-R468 VanDerWaalsContact O-N 3.13Å; H466-I469 VanDerWaalsContact O-CB 3.26Å; H466-I469 WeakPolarHBondContact O-CB 3.28Å; H466-I469 WeakPolarHBondContact O-CG1 3.32Å; H466-I469 PolarHBondContact O-N 3.3Å; H466-H470 AromaticContact CD2-NE2 3.89Å; H466-H470 AromaticContact CE1-NE2 3.75Å; H466-H470 AromaticContact NE2-CE1 3.95Å; H466-H470 AromaticContact NE2-NE2 3.22Å; H466-H470 PolarHBondContact NE2-NE2 3.36Å
467	R	84.1	Confident	82.2	Confident	90 Å²	90	73.9 Å²	73.9	34%	0.34	38%	0.375	S	S	.	.	H	α-helix	trans	-58.9	-26.9	179	-72.6	-164.4	74.1	-118.3	-1.7	113.6	D452 L463 I469 H470 T471	D452-R467 IonicContact OD1-CZ 2.78Å; D452-R467 IonicContact OD1-NE 3.79Å; D452-R467 IonicContact OD1-NH2 3.71Å; D452-R467 PolarHBondContact OD1-NH2 2.78Å; D452-R467 IonicContact OD2-CZ 3.44Å; D452-R467 IonicContact OD2-NE 3.27Å; D452-R467 PolarHBondContact OD2-NE 2.71Å; D452-R467 IonicContact OD2-NH2 2.72Å; L463-R467 HydrophobicContact CD1-CG 3.96Å; L463-R467 HydrophobicContact CG-CG 4.48Å; L463-R467 WeakPolarHBondContact O-CG 3.14Å; L463-R467 PolarHBondContact O-N 3.12Å; R467-I469 PolarHBondContact O-N 2.74Å; R467-I469 VanDerWaalsContact O-N 3.15Å; R467-H470 WeakPolarHBondContact O-CB 3.29Å; R467-H470 PolarHBondContact O-N 2.96Å; R467-T471 PolarHBondContact O-N 2.93Å; R467-T471 PolarHBondContact O-OG1 2.86Å
468	R	84.1	Confident	82.7	Confident	55 Å²	55	71.8 Å²	71.8	21%	0.208	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-14.8	171.2	-62.7	-172.8	-178.7	146.2	3.7	115.2	H466 T471 G472 E473 S486	H466-R468 PolarHBondContact O-N 3.25Å; H466-R468 VanDerWaalsContact O-N 3.13Å; R468-T471 WeakPolarHBondContact CA-OG1 3.36Å; R468-G472 CarbonylContact O-C 3.59Å; R468-G472 WeakPolarHBondContact O-CA 3.21Å; R468-G472 PolarHBondContact O-N 3.01Å; R468-E473 HydrophobicContact CB-CB 4.07Å; R468-E473 HydrophobicContact CG-CB 3.84Å; R468-E473 IonicContact NE-OE2 2.8Å; R468-E473 PolarHBondContact O-N 3.26Å; R468-S486 WeakPolarHBondContact CD-O 3.4Å; R468-S486 PolarHBondContact NH1-O 3.12Å
469	I	81.3	Confident	83.3	Confident	112 Å²	112	74.3 Å²	74.3	57%	0.574	39%	0.389	S	S	*	.	H	α-helix	trans	-74.7	-35.7	171.2	-58	178.9	0	0	0	109.8	H466 R467	H466-I469 VanDerWaalsContact O-CB 3.26Å; H466-I469 WeakPolarHBondContact O-CB 3.28Å; H466-I469 WeakPolarHBondContact O-CG1 3.32Å; H466-I469 PolarHBondContact O-N 3.3Å; R467-I469 PolarHBondContact O-N 2.74Å; R467-I469 VanDerWaalsContact O-N 3.15Å
470	H	80.9	Confident	83.7	Confident	79 Å²	79	75 Å²	75	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-83.5	-42.2	178.8	-51.1	-52.2	0	0	0	112.2	D452 C453 H466 R467 G472	D452-H470 HydrophobicContact CB-CB 4.28Å; D452-H470 IonicContact OD2-CD2 2.72Å; C453-H470 PolarHBondContact SG-NE2 3.19Å; H466-H470 AromaticContact CD2-NE2 3.89Å; H466-H470 AromaticContact CE1-NE2 3.75Å; H466-H470 AromaticContact NE2-CE1 3.95Å; H466-H470 AromaticContact NE2-NE2 3.22Å; H466-H470 PolarHBondContact NE2-NE2 3.36Å; R467-H470 WeakPolarHBondContact O-CB 3.29Å; R467-H470 PolarHBondContact O-N 2.96Å; H470-G472 VanDerWaalsContact C-N 3.26Å; H470-G472 PolarHBondContact O-N 3.04Å
471	T	80.5	Confident	84.1	Confident	62 Å²	62	70.6 Å²	70.6	38%	0.38	38%	0.381	S	S	.	.	S	Bend	trans	-80.5	-3	177.9	61.8	0	0	0	0	113.8	R467 R468 E473	R467-T471 PolarHBondContact O-N 2.93Å; R467-T471 PolarHBondContact O-OG1 2.86Å; R468-T471 WeakPolarHBondContact CA-OG1 3.36Å; T471-E473 WeakPolarHBondContact CB-OE1 3.48Å; T471-E473 PolarHBondContact O-N 3.17Å; T471-E473 VanDerWaalsContact OG1-CD 3.25Å; T471-E473 WeakPolarHBondContact OG1-CG 3.44Å; T471-E473 PolarHBondContact OG1-OE1 3.1Å
472	G	80.3	Confident	84.2	Confident	43 Å²	43	68.6 Å²	68.6	44%	0.443	38%	0.378	S	S	.	.			trans	66.3	-3.3	-176.7	0	0	0	0	0	115.5	R468 H470 K474	R468-G472 CarbonylContact O-C 3.59Å; R468-G472 WeakPolarHBondContact O-CA 3.21Å; R468-G472 PolarHBondContact O-N 3.01Å; H470-G472 VanDerWaalsContact C-N 3.26Å; H470-G472 PolarHBondContact O-N 3.04Å; G472-K474 WeakPolarHBondContact O-CG 3.39Å; G472-K474 PolarHBondContact O-N 3.16Å
473	E	80.3	Confident	84.5	Confident	92 Å²	92	67.8 Å²	67.8	43%	0.43	38%	0.377	S	S	.	.			trans	-51.5	123	-175.6	-83.4	169.4	-118.1	0	0	113.1	R468 T471 P475 S486	R468-E473 HydrophobicContact CB-CB 4.07Å; R468-E473 HydrophobicContact CG-CB 3.84Å; R468-E473 IonicContact NE-OE2 2.8Å; R468-E473 PolarHBondContact O-N 3.26Å; T471-E473 WeakPolarHBondContact CB-OE1 3.48Å; T471-E473 PolarHBondContact O-N 3.17Å; T471-E473 VanDerWaalsContact OG1-CD 3.25Å; T471-E473 WeakPolarHBondContact OG1-CG 3.44Å; T471-E473 PolarHBondContact OG1-OE1 3.1Å; E473-P475 HydrophobicContact CB-CG 4.48Å; E473-P475 WeakPolarHBondContact O-CD 3.43Å; E473-S486 WeakPolarHBondContact O-CB 3.39Å
474	K	84.9	Confident	84.6	Confident	126 Å²	126	68.4 Å²	68.4	55%	0.548	39%	0.386	S	S	.	.			trans	-124	69.2	177.1	-72.1	157	-177.9	172.3	0	111.6	G472 Y476 A484 F485	G472-K474 WeakPolarHBondContact O-CG 3.39Å; G472-K474 PolarHBondContact O-N 3.16Å; K474-Y476 PolarHBondContact O-N 2.78Å; K474-A484 HydrophobicContact CB-CB 3.6Å; K474-A484 HydrophobicContact CD-CB 4.33Å; K474-A484 WeakPolarHBondContact CD-O 3.46Å; K474-A484 HydrophobicContact CG-CB 4.48Å; K474-F485 CarbonylContact C-O 3.12Å; K474-F485 VanDerWaalsContact CA-O 3.3Å; K474-F485 WeakPolarHBondContact CA-O 3.17Å
475	P	84.9	Confident	84.7	Confident	69 Å²	69	68.1 Å²	68.1	45%	0.448	38%	0.375	S	S	.	.			trans	-70.5	-1.7	-170.7	-18.2	33.7	0	0	0	115.4	E473	E473-P475 HydrophobicContact CB-CG 4.48Å; E473-P475 WeakPolarHBondContact O-CD 3.43Å
476	Y	86.9	Confident	84.7	Confident	72 Å²	72	68.4 Å²	68.4	28%	0.282	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	84.7	-176.8	-52.9	-67.9	0	0	0	109.7	K474 F485 K488	K474-Y476 PolarHBondContact O-N 2.78Å; Y476-F485 WeakPolarHBondContact CB-O 3.48Å; Y476-F485 WeakPolarHBondContact CD2-O 3.24Å; Y476-F485 PolarHBondContact N-O 3Å; Y476-F485 PolarHBondContact O-N 3.3Å; Y476-K488 HydrophobicContact CD1-CB 3.99Å; Y476-K488 HydrophobicContact CD1-CG 4.41Å; Y476-K488 HydrophobicContact CD2-CB 4.31Å; Y476-K488 VanDerWaalsContact CD2-N 3.26Å; Y476-K488 HydrophobicContact CE1-CB 3.92Å; Y476-K488 HydrophobicContact CE2-CB 4.22Å; Y476-K488 HydrophobicContact CG-CB 4.19Å
477	V	88.9	Confident	84.5	Confident	84 Å²	84	71 Å²	71	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.8	176.3	-175	0	0	0	0	110.4	A484 L491	V477-A484 HydrophobicContact CG2-CB 4.09Å; V477-L491 WeakPolarHBondContact O-CD2 3.39Å
478	C	90.1	Very high	84.5	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.401	C	S	.	.			trans	-81	117.8	170.3	-161.2	0	0	0	0	109.6	D480 C481 G482 K483 F485 L491 H494 H498	C478-D480 PolarHBondContact O-N 3.42Å; C478-D480 PolarHBondContact SG-OD2 2.83Å; C478-C481 PolarHBondContact O-N 3.19Å; C478-G482 WeakPolarHBondContact O-CA 3.4Å; C478-G482 PolarHBondContact O-N 2.92Å; C478-K483 VanDerWaalsContact CB-O 3.26Å; C478-K483 WeakPolarHBondContact CB-O 3.35Å; C478-K483 PolarHBondContact N-O 2.95Å; C478-F485 HydrophobicContact CB-CE2 4.45Å; C478-L491 HydrophobicContact CB-CD1 3.66Å; C478-H494 PolarHBondContact SG-CD2 3.42Å; C478-H498 PolarHBondContact SG-NE2 3.21Å
479	P	86.9	Confident	84.5	Confident	103 Å²	103	73.9 Å²	73.9	67%	0.669	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.6	178.9	27.2	-33.1	0	0	0	110.9	C481	P479-C481 VanDerWaalsContact C-N 3.3Å; P479-C481 PolarHBondContact O-N 3.16Å
480	D	86.1	Confident	84.7	Confident	74 Å²	74	72 Å²	72	40%	0.396	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.2	-171.9	-25.5	-88.8	0	0	0	113.5	C478 R495 H498	C478-D480 PolarHBondContact O-N 3.42Å; C478-D480 PolarHBondContact SG-OD2 2.83Å; D480-R495 IonicContact OD1-CZ 3.98Å; D480-R495 IonicContact OD1-NE 3.64Å; D480-R495 IonicContact OD1-NH2 2.98Å; D480-R495 PolarHBondContact OD1-NH2 2.85Å; D480-R495 IonicContact OD2-CZ 3.75Å; D480-R495 IonicContact OD2-NE 3.16Å; D480-R495 PolarHBondContact OD2-NE 3.43Å; D480-R495 IonicContact OD2-NH2 2.73Å; D480-H498 HydrophobicContact CB-CB 4.37Å; D480-H498 IonicContact OD2-CD2 2.72Å
481	C	87.6	Confident	85	Confident	52 Å²	52	69.3 Å²	69.3	35%	0.351	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.2	13.9	-179.2	74.6	0	0	0	0	116.4	C478 P479 K483 H494 H498	C478-C481 PolarHBondContact O-N 3.19Å; P479-C481 VanDerWaalsContact C-N 3.3Å; P479-C481 PolarHBondContact O-N 3.16Å; C481-K483 PolarHBondContact O-N 3.08Å; C481-H494 PolarHBondContact SG-NE2 3.36Å; C481-H498 VanDerWaalsContact SG-CE1 3.56Å; C481-H498 PolarHBondContact SG-NE2 2.81Å
482	G	84.4	Confident	85.3	Confident	52 Å²	52	69.9 Å²	69.9	54%	0.536	40%	0.396	S	S	.	.			trans	69	-10.9	179.7	0	0	0	0	0	117	C478 A484	C478-G482 WeakPolarHBondContact O-CA 3.4Å; C478-G482 PolarHBondContact O-N 2.92Å; G482-A484 PolarHBondContact O-N 3.27Å
483	K	86.3	Confident	85.5	Confident	133 Å²	133	69 Å²	69	58%	0.578	38%	0.383	S	S	*	.			trans	-65.3	125.5	-175.5	-70.1	178.2	-179.2	175.2	0	111.8	C478 C481 F485	C478-K483 VanDerWaalsContact CB-O 3.26Å; C478-K483 WeakPolarHBondContact CB-O 3.35Å; C478-K483 PolarHBondContact N-O 2.95Å; C481-K483 PolarHBondContact O-N 3.08Å; K483-F485 HydrophobicContact CB-CE2 4.05Å; K483-F485 HydrophobicContact CB-CZ 4.21Å; K483-F485 WeakPolarHBondContact O-CD2 3.37Å; K483-F485 VanDerWaalsContact O-CE2 3.24Å; K483-F485 WeakPolarHBondContact O-CE2 3.44Å
484	A	86.7	Confident	85.8	Confident	41 Å²	41	65.7 Å²	65.7	34%	0.339	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.7	-171.9	0	0	0	0	0	113.3	K474 V477 G482	K474-A484 HydrophobicContact CB-CB 3.6Å; K474-A484 HydrophobicContact CD-CB 4.33Å; K474-A484 WeakPolarHBondContact CD-O 3.46Å; K474-A484 HydrophobicContact CG-CB 4.48Å; V477-A484 HydrophobicContact CG2-CB 4.09Å; G482-A484 PolarHBondContact O-N 3.27Å
485	F	84.8	Confident	85.9	Confident	47 Å²	47	64.4 Å²	64.4	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.9	-175.2	-58.8	-88.8	0	0	0	112.6	K474 Y476 C478 K483 Q487 N490 L491 H494	K474-F485 CarbonylContact C-O 3.12Å; K474-F485 VanDerWaalsContact CA-O 3.3Å; K474-F485 WeakPolarHBondContact CA-O 3.17Å; Y476-F485 WeakPolarHBondContact CB-O 3.48Å; Y476-F485 WeakPolarHBondContact CD2-O 3.24Å; Y476-F485 PolarHBondContact N-O 3Å; Y476-F485 PolarHBondContact O-N 3.3Å; C478-F485 HydrophobicContact CB-CE2 4.45Å; K483-F485 HydrophobicContact CB-CE2 4.05Å; K483-F485 HydrophobicContact CB-CZ 4.21Å; K483-F485 WeakPolarHBondContact O-CD2 3.37Å; K483-F485 VanDerWaalsContact O-CE2 3.24Å; K483-F485 WeakPolarHBondContact O-CE2 3.44Å; F485-Q487 VanDerWaalsContact C-N 3.34Å; F485-N490 HydrophobicContact CB-CB 4.29Å; F485-N490 HydrophobicContact CD1-CB 3.88Å; F485-N490 HydrophobicContact CG-CB 4.31Å; F485-L491 HydrophobicContact CB-CB 4.4Å; F485-L491 HydrophobicContact CD2-CB 3.96Å; F485-L491 HydrophobicContact CD2-CD1 4.11Å; F485-L491 HydrophobicContact CE2-CD1 4.3Å; F485-L491 HydrophobicContact CG-CB 4.37Å; F485-H494 HydrophobicContact CE1-CB 4.18Å; F485-H494 HydrophobicContact CE2-CB 3.89Å; F485-H494 AromaticContact CE2-CD2 3.38Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.44Å; F485-H494 AromaticContact CE2-CG 3.7Å; F485-H494 HydrophobicContact CZ-CB 3.54Å; F485-H494 AromaticContact CZ-CD2 3.46Å; F485-H494 VanDerWaalsContact CZ-CD2 3.46Å; F485-H494 WeakPolarHBondContact CZ-CD2 3.44Å; F485-H494 AromaticContact CZ-CG 3.34Å; F485-H494 AromaticContact CZ-ND1 3.96Å
486	S	82.6	Confident	86	Confident	28 Å²	28	63.4 Å²	63.4	20%	0.196	35%	0.346	C	S	.	.	S	Bend	trans	-78.3	-15.4	176.5	57	0	0	0	0	114	R468 E473	R468-S486 WeakPolarHBondContact CD-O 3.4Å; R468-S486 PolarHBondContact NH1-O 3.12Å; E473-S486 WeakPolarHBondContact O-CB 3.39Å
487	Q	82	Confident	85.9	Confident	76 Å²	76	65.5 Å²	65.5	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-133.9	136	-180	-57.1	-173	20.4	0	0	112.4	F485 S489 N490 L491	F485-Q487 VanDerWaalsContact C-N 3.34Å; Q487-S489 VanDerWaalsContact C-N 3.28Å; Q487-S489 PolarHBondContact O-N 3.35Å; Q487-N490 PolarHBondContact O-N 2.91Å; Q487-L491 PolarHBondContact O-N 3.18Å
488	K	84.9	Confident	85.6	Confident	138 Å²	138	65.3 Å²	65.3	60%	0.6	36%	0.355	S	S	*	.	H	α-helix	trans	-62.5	-31.7	-178.9	-174.9	171.7	-179.3	172.3	0	113.2	Y476 N490 L491 V492	Y476-K488 HydrophobicContact CD1-CB 3.99Å; Y476-K488 HydrophobicContact CD1-CG 4.41Å; Y476-K488 HydrophobicContact CD2-CB 4.31Å; Y476-K488 VanDerWaalsContact CD2-N 3.26Å; Y476-K488 HydrophobicContact CE1-CB 3.92Å; Y476-K488 HydrophobicContact CE2-CB 4.22Å; Y476-K488 HydrophobicContact CG-CB 4.19Å; K488-N490 VanDerWaalsContact C-N 3.26Å; K488-N490 PolarHBondContact O-N 3.23Å; K488-L491 PolarHBondContact O-N 3.14Å; K488-V492 HydrophobicContact CG-CG2 4.42Å; K488-V492 WeakPolarHBondContact O-CG2 3.35Å; K488-V492 PolarHBondContact O-N 2.84Å
489	S	83	Confident	85.3	Confident	68 Å²	68	68.8 Å²	68.8	48%	0.476	38%	0.376	S	S	.	.	H	α-helix	trans	-56.1	-41	172.5	42.7	0	0	0	0	112.3	Q487 V492 S493	Q487-S489 VanDerWaalsContact C-N 3.28Å; Q487-S489 PolarHBondContact O-N 3.35Å; S489-V492 PolarHBondContact O-N 2.84Å; S489-S493 WeakPolarHBondContact O-CB 3.47Å; S489-S493 PolarHBondContact O-N 3.31Å
490	N	85.6	Confident	85.1	Confident	72 Å²	72	66.3 Å²	66.3	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-75.8	-39.6	-174.2	-58	17.8	0	0	0	109.7	F485 Q487 K488 S493 H494	F485-N490 HydrophobicContact CB-CB 4.29Å; F485-N490 HydrophobicContact CD1-CB 3.88Å; F485-N490 HydrophobicContact CG-CB 4.31Å; Q487-N490 PolarHBondContact O-N 2.91Å; K488-N490 VanDerWaalsContact C-N 3.26Å; K488-N490 PolarHBondContact O-N 3.23Å; N490-S493 PolarHBondContact O-N 3.38Å; N490-H494 VanDerWaalsContact O-CB 3.24Å; N490-H494 WeakPolarHBondContact O-CB 3.43Å; N490-H494 PolarHBondContact O-N 2.84Å
491	L	87.8	Confident	84.9	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-49.5	168.7	172	59.9	0	0	0	111.7	V477 C478 F485 Q487 K488 S493 H494 R495	V477-L491 WeakPolarHBondContact O-CD2 3.39Å; C478-L491 HydrophobicContact CB-CD1 3.66Å; F485-L491 HydrophobicContact CB-CB 4.4Å; F485-L491 HydrophobicContact CD2-CB 3.96Å; F485-L491 HydrophobicContact CD2-CD1 4.11Å; F485-L491 HydrophobicContact CE2-CD1 4.3Å; F485-L491 HydrophobicContact CG-CB 4.37Å; Q487-L491 PolarHBondContact O-N 3.18Å; K488-L491 PolarHBondContact O-N 3.14Å; L491-S493 VanDerWaalsContact C-N 3.3Å; L491-S493 PolarHBondContact O-N 2.89Å; L491-H494 WeakPolarHBondContact O-CB 3.34Å; L491-H494 PolarHBondContact O-N 2.93Å; L491-R495 HydrophobicContact CD1-CG 3.97Å; L491-R495 WeakPolarHBondContact O-CG 3.46Å; L491-R495 PolarHBondContact O-N 3.37Å
492	V	86.1	Confident	84.7	Confident	75 Å²	75	72.2 Å²	72.2	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-40.3	179	170.1	0	0	0	0	111.4	K488 S489 H494	K488-V492 HydrophobicContact CG-CG2 4.42Å; K488-V492 WeakPolarHBondContact O-CG2 3.35Å; K488-V492 PolarHBondContact O-N 2.84Å; S489-V492 PolarHBondContact O-N 2.84Å; V492-H494 VanDerWaalsContact C-N 3.32Å
493	S	84.4	Confident	84.7	Confident	23 Å²	23	73 Å²	73	16%	0.161	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-25.8	175.3	-169.5	0	0	0	0	113.6	S489 N490 L491 Q515	S489-S493 WeakPolarHBondContact O-CB 3.47Å; S489-S493 PolarHBondContact O-N 3.31Å; N490-S493 PolarHBondContact O-N 3.38Å; L491-S493 VanDerWaalsContact C-N 3.3Å; L491-S493 PolarHBondContact O-N 2.89Å; S493-Q515 VanDerWaalsContact OG-CG 3.3Å; S493-Q515 WeakPolarHBondContact OG-CG 3.46Å
494	H	87.6	Confident	84.7	Confident	23 Å²	23	70.2 Å²	70.2	11%	0.106	37%	0.365	C	S	.	.	H	α-helix	trans	-77.5	-39.6	177.3	172.7	58.6	0	0	0	111.9	C478 C481 F485 N490 L491 V492 R496 I497 H498	C478-H494 PolarHBondContact SG-CD2 3.42Å; C481-H494 PolarHBondContact SG-NE2 3.36Å; F485-H494 HydrophobicContact CE1-CB 4.18Å; F485-H494 HydrophobicContact CE2-CB 3.89Å; F485-H494 AromaticContact CE2-CD2 3.38Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.44Å; F485-H494 AromaticContact CE2-CG 3.7Å; F485-H494 HydrophobicContact CZ-CB 3.54Å; F485-H494 AromaticContact CZ-CD2 3.46Å; F485-H494 VanDerWaalsContact CZ-CD2 3.46Å; F485-H494 WeakPolarHBondContact CZ-CD2 3.44Å; F485-H494 AromaticContact CZ-CG 3.34Å; F485-H494 AromaticContact CZ-ND1 3.96Å; N490-H494 VanDerWaalsContact O-CB 3.24Å; N490-H494 WeakPolarHBondContact O-CB 3.43Å; N490-H494 PolarHBondContact O-N 2.84Å; L491-H494 WeakPolarHBondContact O-CB 3.34Å; L491-H494 PolarHBondContact O-N 2.93Å; V492-H494 VanDerWaalsContact C-N 3.32Å; H494-R496 PolarHBondContact O-N 2.97Å; H494-R496 VanDerWaalsContact O-N 3.1Å; H494-I497 VanDerWaalsContact O-CB 3.29Å; H494-I497 WeakPolarHBondContact O-CB 3.4Å; H494-I497 WeakPolarHBondContact O-CG1 3.15Å; H494-I497 PolarHBondContact O-N 2.91Å; H494-H498 AromaticContact CD2-NE2 3.84Å; H494-H498 AromaticContact CE1-CE1 3.94Å; H494-H498 AromaticContact CE1-NE2 3.68Å; H494-H498 AromaticContact NE2-CE1 3.79Å; H494-H498 AromaticContact NE2-NE2 3.16Å; H494-H498 PolarHBondContact NE2-NE2 2.79Å; H494-H498 VanDerWaalsContact NE2-NE2 3.16Å
495	R	86.8	Confident	84.7	Confident	100 Å²	100	71 Å²	71	38%	0.377	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-22.8	178.1	-68.8	-168	76.6	-126.9	0.2	113.8	D480 L491 I497 H498 T499	D480-R495 IonicContact OD1-CZ 3.98Å; D480-R495 IonicContact OD1-NE 3.64Å; D480-R495 IonicContact OD1-NH2 2.98Å; D480-R495 PolarHBondContact OD1-NH2 2.85Å; D480-R495 IonicContact OD2-CZ 3.75Å; D480-R495 IonicContact OD2-NE 3.16Å; D480-R495 PolarHBondContact OD2-NE 3.43Å; D480-R495 IonicContact OD2-NH2 2.73Å; L491-R495 HydrophobicContact CD1-CG 3.97Å; L491-R495 WeakPolarHBondContact O-CG 3.46Å; L491-R495 PolarHBondContact O-N 3.37Å; R495-I497 PolarHBondContact O-N 2.99Å; R495-H498 PolarHBondContact O-N 3.41Å; R495-T499 PolarHBondContact O-N 2.8Å; R495-T499 PolarHBondContact O-OG1 2.81Å
496	R	86.3	Confident	84.6	Confident	47 Å²	47	69.2 Å²	69.2	18%	0.177	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-17.2	170.7	-66.2	-172.5	171.5	156.9	1.7	114.9	H494 G500 E501 Y504 S514	H494-R496 PolarHBondContact O-N 2.97Å; H494-R496 VanDerWaalsContact O-N 3.1Å; R496-G500 CarbonylContact O-C 3.51Å; R496-G500 WeakPolarHBondContact O-CA 3.48Å; R496-G500 PolarHBondContact O-N 2.99Å; R496-E501 HydrophobicContact CB-CB 4.12Å; R496-E501 HydrophobicContact CG-CB 3.91Å; R496-E501 IonicContact NE-OE2 3.59Å; R496-E501 PolarHBondContact O-N 3.28Å; R496-Y504 PolarHBondContact NH1-OH 3.26Å; R496-S514 WeakPolarHBondContact CD-O 3.47Å; R496-S514 PolarHBondContact NH1-O 2.81Å
497	I	84.2	Confident	84.4	Confident	116 Å²	116	72.7 Å²	72.7	60%	0.595	39%	0.387	S	S	*	.	H	α-helix	trans	-72.6	-43.2	171.5	-57.6	179.2	0	0	0	109.2	H494 R495	H494-I497 VanDerWaalsContact O-CB 3.29Å; H494-I497 WeakPolarHBondContact O-CB 3.4Å; H494-I497 WeakPolarHBondContact O-CG1 3.15Å; H494-I497 PolarHBondContact O-N 2.91Å; R495-I497 PolarHBondContact O-N 2.99Å
498	H	84.3	Confident	84.1	Confident	80 Å²	80	71.5 Å²	71.5	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-74	-36.8	-180	-51	-46.9	0	0	0	112.9	C478 D480 C481 H494 R495	C478-H498 PolarHBondContact SG-NE2 3.21Å; D480-H498 HydrophobicContact CB-CB 4.37Å; D480-H498 IonicContact OD2-CD2 2.72Å; C481-H498 VanDerWaalsContact SG-CE1 3.56Å; C481-H498 PolarHBondContact SG-NE2 2.81Å; H494-H498 AromaticContact CD2-NE2 3.84Å; H494-H498 AromaticContact CE1-CE1 3.94Å; H494-H498 AromaticContact CE1-NE2 3.68Å; H494-H498 AromaticContact NE2-CE1 3.79Å; H494-H498 AromaticContact NE2-NE2 3.16Å; H494-H498 PolarHBondContact NE2-NE2 2.79Å; H494-H498 VanDerWaalsContact NE2-NE2 3.16Å; R495-H498 PolarHBondContact O-N 3.41Å
499	T	82.9	Confident	83.9	Confident	73 Å²	73	66 Å²	66	45%	0.448	36%	0.362	S	S	.	.	S	Bend	trans	-87.4	-2.1	177.8	64.1	0	0	0	0	114.2	R495 E501	R495-T499 PolarHBondContact O-N 2.8Å; R495-T499 PolarHBondContact O-OG1 2.81Å; T499-E501 PolarHBondContact O-N 3.48Å; T499-E501 WeakPolarHBondContact OG1-CG 3.46Å
500	G	82.1	Confident	83.7	Confident	52 Å²	52	70.3 Å²	70.3	54%	0.536	38%	0.379	S	S	.	.			trans	64.3	3.2	-175.1	0	0	0	0	0	115.4	R496 R502	R496-G500 CarbonylContact O-C 3.51Å; R496-G500 WeakPolarHBondContact O-CA 3.48Å; R496-G500 PolarHBondContact O-N 2.99Å; G500-R502 WeakPolarHBondContact O-CG 3.37Å; G500-R502 PolarHBondContact O-N 2.88Å
501	E	82.6	Confident	83.4	Confident	96 Å²	96	74.6 Å²	74.6	45%	0.449	39%	0.39	S	S	.	.			trans	-58.2	121.2	-176.6	-87.6	180	-142.9	0	0	112.5	R496 T499 P503 S514	R496-E501 HydrophobicContact CB-CB 4.12Å; R496-E501 HydrophobicContact CG-CB 3.91Å; R496-E501 IonicContact NE-OE2 3.59Å; R496-E501 PolarHBondContact O-N 3.28Å; T499-E501 PolarHBondContact O-N 3.48Å; T499-E501 WeakPolarHBondContact OG1-CG 3.46Å; E501-P503 HydrophobicContact CB-CG 4.29Å; E501-P503 WeakPolarHBondContact O-CD 3.31Å; E501-S514 WeakPolarHBondContact O-CB 3.29Å
502	R	83.9	Confident	83.2	Confident	153 Å²	153	75.2 Å²	75.2	58%	0.577	40%	0.396	S	S	*	.			trans	-123.2	67.1	176	-65.6	168.7	83	134.6	-0.1	111.5	G500 Y504 S512 F513	G500-R502 WeakPolarHBondContact O-CG 3.37Å; G500-R502 PolarHBondContact O-N 2.88Å; R502-Y504 PolarHBondContact O-N 3.23Å; R502-S512 VanDerWaalsContact CZ-O 3.22Å; R502-S512 PolarHBondContact NE-O 3.33Å; R502-S512 PolarHBondContact NH2-O 3.17Å; R502-F513 CarbonylContact C-O 3.55Å; R502-F513 WeakPolarHBondContact CA-O 3.39Å
503	P	84.6	Confident	83.1	Confident	69 Å²	69	73.3 Å²	73.3	45%	0.448	38%	0.382	S	S	.	.			trans	-74.3	10.3	-166.9	-15.9	33.6	0	0	0	115.7	E501	E501-P503 HydrophobicContact CB-CG 4.29Å; E501-P503 WeakPolarHBondContact O-CD 3.31Å
504	Y	85.4	Confident	83.1	Confident	74 Å²	74	73.7 Å²	73.7	29%	0.29	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	80.2	-177.9	-51.5	-62.9	0	0	0	109.6	R496 R502 S512 F513 S514 K516	R496-Y504 PolarHBondContact NH1-OH 3.26Å; R502-Y504 PolarHBondContact O-N 3.23Å; Y504-S512 CarbonylContact O-C 3.4Å; Y504-F513 WeakPolarHBondContact CB-O 3.49Å; Y504-F513 WeakPolarHBondContact CD2-O 3.48Å; Y504-F513 PolarHBondContact N-O 2.82Å; Y504-F513 VanDerWaalsContact N-O 3.13Å; Y504-F513 PolarHBondContact O-N 2.83Å; Y504-S514 WeakPolarHBondContact CE2-O 3.44Å; Y504-K516 HydrophobicContact CD1-CB 4.25Å; Y504-K516 HydrophobicContact CD2-CB 4.25Å; Y504-K516 VanDerWaalsContact CD2-N 3.32Å; Y504-K516 HydrophobicContact CE1-CB 4.16Å; Y504-K516 HydrophobicContact CE2-CB 4.13Å; Y504-K516 HydrophobicContact CG-CB 4.31Å
505	A	86.4	Confident	82.9	Confident	58 Å²	58	76.2 Å²	76.2	48%	0.479	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	145.3	167.8	0	0	0	0	0	111.2	S512 L519	A505-S512 WeakPolarHBondContact CA-OG 3.31Å; A505-L519 WeakPolarHBondContact O-CD2 3.41Å
506	C	82.7	Confident	82.7	Confident	9 Å²	9	77.6 Å²	77.6	6%	0.061	41%	0.405	C	S	.	.			trans	-74.3	138.6	159.9	-153.3	0	0	0	0	108.4	D508 C509 R511 L519	C506-D508 PolarHBondContact SG-OD2 3.38Å; C506-C509 WeakPolarHBondContact CB-O 3.46Å; C506-C509 VanDerWaalsContact O-O 3.05Å; C506-R511 WeakPolarHBondContact CB-O 3.38Å; C506-R511 PolarHBondContact N-O 2.86Å; C506-L519 HydrophobicContact CB-CD1 3.86Å
507	P	79.1	Confident	82.6	Confident	101 Å²	101	78.3 Å²	78.3	66%	0.656	42%	0.417	S	S	*	.	S	Bend	trans	-77.8	-15	168.8	31.6	-31.3	0	0	0	111.7
508	D	75.4	Confident	82.6	Confident	52 Å²	52	75.8 Å²	75.8	28%	0.278	41%	0.405	S	S	.	.	S	Bend	trans	-102.8	-3.3	-170.6	-32.9	-74.9	0	0	0	112.6	C506 R523 H526 A535	C506-D508 PolarHBondContact SG-OD2 3.38Å; D508-R523 IonicContact OD1-CZ 2.86Å; D508-R523 IonicContact OD1-NE 3.47Å; D508-R523 IonicContact OD1-NH2 3.65Å; D508-R523 PolarHBondContact OD1-NH2 3.01Å; D508-R523 WeakPolarHBondContact OD2-CD 3.46Å; D508-R523 WeakPolarHBondContact OD2-CG 3.26Å; D508-R523 IonicContact OD2-CZ 3.75Å; D508-R523 IonicContact OD2-NE 2.82Å; D508-R523 PolarHBondContact OD2-NE 2.93Å; D508-R523 IonicContact OD2-NH2 3.54Å; D508-R523 PolarHBondContact OD2-NH2 3.41Å; D508-H526 PolarHBondContact O-NE2 3.24Å; D508-A535 WeakPolarHBondContact O-CB 3.46Å
509	C	80.9	Confident	82.6	Confident	22 Å²	22	73.2 Å²	73.2	15%	0.149	39%	0.394	C	S	.	.	S	Bend	trans	-172.1	170.2	165.7	65.9	0	0	0	0	111.5	C506 R511 H522 H526	C506-C509 WeakPolarHBondContact CB-O 3.46Å; C506-C509 VanDerWaalsContact O-O 3.05Å; C509-R511 PolarHBondContact O-N 2.92Å; C509-H522 PolarHBondContact SG-NE2 2.87Å; C509-H526 WeakPolarHBondContact CB-NE2 3.44Å; C509-H526 PolarHBondContact SG-NE2 2.95Å
510	D	79.3	Confident	82.5	Confident	158 Å²	158	73.8 Å²	73.8	85%	0.845	39%	0.393	S	S	*	.	S	Bend	trans	-64.6	-2.9	-176.8	-60.1	-63.9	0	0	0	116.4	S512	D510-S512 PolarHBondContact O-N 3.16Å
511	R	78.8	Confident	82.4	Confident	163 Å²	163	75.8 Å²	75.8	62%	0.615	40%	0.395	S	S	*	.			trans	-69.2	106.5	-177.1	-68.7	-175.9	173.3	-173.8	0.4	111.3	C506 C509 F513	C506-R511 WeakPolarHBondContact CB-O 3.38Å; C506-R511 PolarHBondContact N-O 2.86Å; C509-R511 PolarHBondContact O-N 2.92Å; R511-F513 HydrophobicContact CB-CE2 3.8Å; R511-F513 HydrophobicContact CB-CZ 3.97Å; R511-F513 WeakPolarHBondContact O-CD2 3.43Å; R511-F513 WeakPolarHBondContact O-CE2 3.45Å
512	S	84.3	Confident	82.3	Confident	36 Å²	36	72 Å²	72	25%	0.252	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151.4	171.7	-66	0	0	0	0	113	R502 Y504 A505 D510	R502-S512 VanDerWaalsContact CZ-O 3.22Å; R502-S512 PolarHBondContact NE-O 3.33Å; R502-S512 PolarHBondContact NH2-O 3.17Å; Y504-S512 CarbonylContact O-C 3.4Å; A505-S512 WeakPolarHBondContact CA-OG 3.31Å; D510-S512 PolarHBondContact O-N 3.16Å
513	F	83.8	Confident	81.9	Confident	35 Å²	35	70.5 Å²	70.5	15%	0.154	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.4	-175.6	-61.4	-92.4	0	0	0	113.1	R502 Y504 R511 N518 L519 H522	R502-F513 CarbonylContact C-O 3.55Å; R502-F513 WeakPolarHBondContact CA-O 3.39Å; Y504-F513 WeakPolarHBondContact CB-O 3.49Å; Y504-F513 WeakPolarHBondContact CD2-O 3.48Å; Y504-F513 PolarHBondContact N-O 2.82Å; Y504-F513 VanDerWaalsContact N-O 3.13Å; Y504-F513 PolarHBondContact O-N 2.83Å; R511-F513 HydrophobicContact CB-CE2 3.8Å; R511-F513 HydrophobicContact CB-CZ 3.97Å; R511-F513 WeakPolarHBondContact O-CD2 3.43Å; R511-F513 WeakPolarHBondContact O-CE2 3.45Å; F513-N518 HydrophobicContact CB-CB 4.34Å; F513-N518 HydrophobicContact CD1-CB 3.75Å; F513-N518 HydrophobicContact CG-CB 4.28Å; F513-L519 HydrophobicContact CB-CB 4.45Å; F513-L519 HydrophobicContact CD2-CB 4.09Å; F513-L519 HydrophobicContact CD2-CD1 4.24Å; F513-L519 HydrophobicContact CE2-CD1 4.48Å; F513-L519 HydrophobicContact CG-CB 4.43Å; F513-H522 HydrophobicContact CE1-CB 4.23Å; F513-H522 HydrophobicContact CE2-CB 3.99Å; F513-H522 AromaticContact CE2-CD2 3.26Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.26Å; F513-H522 AromaticContact CE2-CG 3.83Å; F513-H522 HydrophobicContact CZ-CB 3.58Å; F513-H522 AromaticContact CZ-CD2 3.4Å; F513-H522 VanDerWaalsContact CZ-CD2 3.4Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.23Å; F513-H522 AromaticContact CZ-CG 3.51Å
514	S	82.9	Confident	81.4	Confident	30 Å²	30	72.4 Å²	72.4	21%	0.21	37%	0.373	C	S	.	.	S	Bend	trans	-78.2	-18.1	174.9	57.3	0	0	0	0	113.7	R496 E501 Y504	R496-S514 WeakPolarHBondContact CD-O 3.47Å; R496-S514 PolarHBondContact NH1-O 2.81Å; E501-S514 WeakPolarHBondContact O-CB 3.29Å; Y504-S514 WeakPolarHBondContact CE2-O 3.44Å
515	Q	83.5	Confident	80.7	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.36	38%	0.375	S	S	.	.	S	Bend	trans	-129.9	138.3	179.9	-59.6	-168.3	35.4	0	0	112.6	S493 S517 N518 L519	S493-Q515 VanDerWaalsContact OG-CG 3.3Å; S493-Q515 WeakPolarHBondContact OG-CG 3.46Å; Q515-S517 VanDerWaalsContact C-N 3.32Å; Q515-S517 WeakPolarHBondContact CB-OG 3.25Å; Q515-S517 PolarHBondContact O-N 3.03Å; Q515-S517 PolarHBondContact OE1-OG 3.37Å; Q515-N518 HydrophobicContact CB-CB 4.48Å; Q515-N518 PolarHBondContact O-N 3.37Å; Q515-L519 PolarHBondContact O-N 3.19Å
516	K	83.5	Confident	79.8	Confident	129 Å²	129	70.3 Å²	70.3	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-68.8	-28.4	179.9	-177.2	170.1	-179.6	171.9	0	113.1	Y504 N518 L519 I520	Y504-K516 HydrophobicContact CD1-CB 4.25Å; Y504-K516 HydrophobicContact CD2-CB 4.25Å; Y504-K516 VanDerWaalsContact CD2-N 3.32Å; Y504-K516 HydrophobicContact CE1-CB 4.16Å; Y504-K516 HydrophobicContact CE2-CB 4.13Å; Y504-K516 HydrophobicContact CG-CB 4.31Å; K516-N518 VanDerWaalsContact C-N 3.29Å; K516-N518 PolarHBondContact O-N 2.91Å; K516-L519 PolarHBondContact O-N 3.16Å; K516-I520 HydrophobicContact CG-CD1 4Å; K516-I520 HydrophobicContact CG-CG1 4.43Å; K516-I520 VanDerWaalsContact O-CG1 3.29Å; K516-I520 WeakPolarHBondContact O-CG1 3.3Å; K516-I520 PolarHBondContact O-N 3.37Å
517	S	83.6	Confident	78.9	Confident	61 Å²	61	75.9 Å²	75.9	43%	0.427	39%	0.389	S	S	.	.	H	α-helix	trans	-54.7	-47.4	169.8	39.9	0	0	0	0	111.3	Q515 I520 T521	Q515-S517 VanDerWaalsContact C-N 3.32Å; Q515-S517 WeakPolarHBondContact CB-OG 3.25Å; Q515-S517 PolarHBondContact O-N 3.03Å; Q515-S517 PolarHBondContact OE1-OG 3.37Å; S517-I520 PolarHBondContact O-N 2.85Å; S517-I520 VanDerWaalsContact O-N 3.07Å; S517-T521 PolarHBondContact O-N 3.29Å; S517-T521 PolarHBondContact O-OG1 2.99Å
518	N	84.4	Confident	77.5	Confident	64 Å²	64	80.2 Å²	80.2	34%	0.342	39%	0.392	S	S	.	.	H	α-helix	trans	-70.7	-37.6	-174.1	-57.6	26.6	0	0	0	110.8	F513 Q515 K516 T521 H522	F513-N518 HydrophobicContact CB-CB 4.34Å; F513-N518 HydrophobicContact CD1-CB 3.75Å; F513-N518 HydrophobicContact CG-CB 4.28Å; Q515-N518 HydrophobicContact CB-CB 4.48Å; Q515-N518 PolarHBondContact O-N 3.37Å; K516-N518 VanDerWaalsContact C-N 3.29Å; K516-N518 PolarHBondContact O-N 2.91Å; N518-T521 WeakPolarHBondContact CA-OG1 3.29Å; N518-T521 PolarHBondContact O-N 2.95Å; N518-T521 PolarHBondContact O-OG1 3.32Å; N518-H522 VanDerWaalsContact O-CB 3.29Å; N518-H522 WeakPolarHBondContact O-CB 3.15Å; N518-H522 PolarHBondContact O-N 3.28Å
519	L	84.9	Confident	76.4	Confident	25 Å²	25	84 Å²	84	13%	0.131	41%	0.412	C	S	.	.	H	α-helix	trans	-61.2	-41.7	167.8	172.8	60.6	0	0	0	111.7	A505 C506 F513 Q515 K516 H522 R523	A505-L519 WeakPolarHBondContact O-CD2 3.41Å; C506-L519 HydrophobicContact CB-CD1 3.86Å; F513-L519 HydrophobicContact CB-CB 4.45Å; F513-L519 HydrophobicContact CD2-CB 4.09Å; F513-L519 HydrophobicContact CD2-CD1 4.24Å; F513-L519 HydrophobicContact CE2-CD1 4.48Å; F513-L519 HydrophobicContact CG-CB 4.43Å; Q515-L519 PolarHBondContact O-N 3.19Å; K516-L519 PolarHBondContact O-N 3.16Å; L519-H522 PolarHBondContact O-N 3.33Å; L519-R523 VanDerWaalsContact O-CB 3.31Å; L519-R523 WeakPolarHBondContact O-CB 3.1Å; L519-R523 PolarHBondContact O-N 3.4Å
520	I	80.9	Confident	75.1	Confident	85 Å²	85	85.4 Å²	85.4	44%	0.436	43%	0.431	S	S	.	.	H	α-helix	trans	-68.2	-35.5	179	-69.9	165.4	0	0	0	111.9	K516 S517 K524	K516-I520 HydrophobicContact CG-CD1 4Å; K516-I520 HydrophobicContact CG-CG1 4.43Å; K516-I520 VanDerWaalsContact O-CG1 3.29Å; K516-I520 WeakPolarHBondContact O-CG1 3.3Å; K516-I520 PolarHBondContact O-N 3.37Å; S517-I520 PolarHBondContact O-N 2.85Å; S517-I520 VanDerWaalsContact O-N 3.07Å; I520-K524 WeakPolarHBondContact O-CG 3.49Å; I520-K524 PolarHBondContact O-N 3.21Å
521	T	78.8	Confident	74.2	Confident	94 Å²	94	79 Å²	79	58%	0.577	40%	0.4	S	S	*	.	H	α-helix	trans	-72.9	-38.5	174.3	48.9	0	0	0	0	112	S517 N518 K524 S525	S517-T521 PolarHBondContact O-N 3.29Å; S517-T521 PolarHBondContact O-OG1 2.99Å; N518-T521 WeakPolarHBondContact CA-OG1 3.29Å; N518-T521 PolarHBondContact O-N 2.95Å; N518-T521 PolarHBondContact O-OG1 3.32Å; T521-K524 WeakPolarHBondContact O-CB 3.42Å; T521-K524 PolarHBondContact O-N 3.09Å; T521-S525 PolarHBondContact O-N 2.78Å
522	H	80.2	Confident	73.5	Confident	16 Å²	16	74.4 Å²	74.4	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-67.9	-41.2	174.1	170.7	43.8	0	0	0	112.3	C509 F513 N518 L519 K524 S525	C509-H522 PolarHBondContact SG-NE2 2.87Å; F513-H522 HydrophobicContact CE1-CB 4.23Å; F513-H522 HydrophobicContact CE2-CB 3.99Å; F513-H522 AromaticContact CE2-CD2 3.26Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.26Å; F513-H522 AromaticContact CE2-CG 3.83Å; F513-H522 HydrophobicContact CZ-CB 3.58Å; F513-H522 AromaticContact CZ-CD2 3.4Å; F513-H522 VanDerWaalsContact CZ-CD2 3.4Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.23Å; F513-H522 AromaticContact CZ-CG 3.51Å; N518-H522 VanDerWaalsContact O-CB 3.29Å; N518-H522 WeakPolarHBondContact O-CB 3.15Å; N518-H522 PolarHBondContact O-N 3.28Å; L519-H522 PolarHBondContact O-N 3.33Å; H522-K524 PolarHBondContact O-N 3.09Å; H522-K524 VanDerWaalsContact O-N 3.1Å; H522-S525 PolarHBondContact ND1-OG 3.37Å; H522-S525 WeakPolarHBondContact O-CA 3.22Å; H522-S525 PolarHBondContact O-N 3.03Å; H522-S525 PolarHBondContact O-OG 3.08Å
523	R	76.9	Confident	72.5	Confident	122 Å²	122	74.1 Å²	74.1	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-23.2	175	-164.6	168.9	-157.4	-121.3	-5.5	112.6	D508 L519	D508-R523 IonicContact OD1-CZ 2.86Å; D508-R523 IonicContact OD1-NE 3.47Å; D508-R523 IonicContact OD1-NH2 3.65Å; D508-R523 PolarHBondContact OD1-NH2 3.01Å; D508-R523 WeakPolarHBondContact OD2-CD 3.46Å; D508-R523 WeakPolarHBondContact OD2-CG 3.26Å; D508-R523 IonicContact OD2-CZ 3.75Å; D508-R523 IonicContact OD2-NE 2.82Å; D508-R523 PolarHBondContact OD2-NE 2.93Å; D508-R523 IonicContact OD2-NH2 3.54Å; D508-R523 PolarHBondContact OD2-NH2 3.41Å; L519-R523 VanDerWaalsContact O-CB 3.31Å; L519-R523 WeakPolarHBondContact O-CB 3.1Å; L519-R523 PolarHBondContact O-N 3.4Å
524	K	73.8	Confident	71.6	Confident	110 Å²	110	72.6 Å²	72.6	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-75	-28.5	168.8	-70.6	175.9	178.9	-168.8	0	113.1	I520 T521 H522 H526 I527 R528	I520-K524 WeakPolarHBondContact O-CG 3.49Å; I520-K524 PolarHBondContact O-N 3.21Å; T521-K524 WeakPolarHBondContact O-CB 3.42Å; T521-K524 PolarHBondContact O-N 3.09Å; H522-K524 PolarHBondContact O-N 3.09Å; H522-K524 VanDerWaalsContact O-N 3.1Å; K524-H526 PolarHBondContact O-N 3.44Å; K524-I527 CarbonylContact O-C 3.52Å; K524-I527 WeakPolarHBondContact O-CA 3.47Å; K524-I527 PolarHBondContact O-N 3.28Å; K524-R528 WeakPolarHBondContact O-CB 3.47Å; K524-R528 PolarHBondContact O-N 2.91Å
525	S	70.6	Confident	70.6	Confident	47 Å²	47	73.3 Å²	73.3	33%	0.329	38%	0.384	S	S	.	.	H	α-helix	trans	-70.6	-10	175.4	74.7	0	0	0	0	113.6	T521 H522	T521-S525 PolarHBondContact O-N 2.78Å; H522-S525 PolarHBondContact ND1-OG 3.37Å; H522-S525 WeakPolarHBondContact O-CA 3.22Å; H522-S525 PolarHBondContact O-N 3.03Å; H522-S525 PolarHBondContact O-OG 3.08Å
526	H	67.3	Low	69.7	Low	40 Å²	40	75.1 Å²	75.1	19%	0.185	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	1.7	165.2	-63.3	-68.1	0	0	0	113.2	D508 C509 K524 C533	D508-H526 PolarHBondContact O-NE2 3.24Å; C509-H526 WeakPolarHBondContact CB-NE2 3.44Å; C509-H526 PolarHBondContact SG-NE2 2.95Å; K524-H526 PolarHBondContact O-N 3.44Å; H526-C533 WeakPolarHBondContact CE1-CB 3.17Å
527	I	63.5	Low	69	Low	127 Å²	127	71.6 Å²	71.6	65%	0.651	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-27.4	-168.1	-50.7	175.2	0	0	0	112.7	K524	K524-I527 CarbonylContact O-C 3.52Å; K524-I527 WeakPolarHBondContact O-CA 3.47Å; K524-I527 PolarHBondContact O-N 3.28Å
528	R	50.8	Low	67.9	Low	191 Å²	191	71.3 Å²	71.3	72%	0.721	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-24.4	-155.7	-163.3	169.4	-156.9	-159	-2.3	116	K524	K524-R528 WeakPolarHBondContact O-CB 3.47Å; K524-R528 PolarHBondContact O-N 2.91Å
529	D	51	Low	67	Low	131 Å²	131	73.2 Å²	73.2	70%	0.701	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	19.4	-169.9	-53.7	-33.9	0	0	0	111.7	A531	D529-A531 PolarHBondContact O-N 3.48Å
530	G	53.5	Low	65.9	Low	52 Å²	52	76.7 Å²	76.7	54%	0.536	42%	0.421	S	S	.	.	S	Bend	trans	72.7	-27.6	-172.6	0	0	0	0	0	113.9
531	A	60.7	Low	65.3	Low	24 Å²	24	74.1 Å²	74.1	20%	0.198	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-87.5	130	-177.4	0	0	0	0	0	114	D529 F541	D529-A531 PolarHBondContact O-N 3.48Å; A531-F541 CarbonylContact C-O 3.58Å; A531-F541 WeakPolarHBondContact CA-O 3.43Å
532	F	64.2	Low	64.7	Low	66 Å²	66	74.8 Å²	74.8	29%	0.289	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.1	172.9	-64.7	-100.4	0	0	0	109.7	F541 E544 L547	F532-F541 PolarHBondContact N-O 3.11Å; F532-F541 PolarHBondContact O-N 3.11Å; F532-E544 HydrophobicContact CD1-CB 3.87Å; F532-E544 HydrophobicContact CD1-CG 3.91Å; F532-E544 HydrophobicContact CD2-CB 4.49Å; F532-E544 HydrophobicContact CE1-CB 3.54Å; F532-E544 HydrophobicContact CE1-CG 3.72Å; F532-E544 HydrophobicContact CE2-CB 4.22Å; F532-E544 HydrophobicContact CG-CB 4.35Å; F532-E544 HydrophobicContact CZ-CB 3.74Å; F532-E544 HydrophobicContact CZ-CG 4.41Å; F532-L547 HydrophobicContact CB-CB 3.98Å; F532-L547 HydrophobicContact CB-CD2 3.73Å; F532-L547 HydrophobicContact CB-CG 4.42Å
533	C	62.9	Low	64	Low	31 Å²	31	76.5 Å²	76.5	21%	0.209	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.9	-174.2	-52.1	0	0	0	0	112.6	H526 A535 Q539	H526-C533 WeakPolarHBondContact CE1-CB 3.17Å; C533-A535 PolarHBondContact O-N 3.19Å; C533-Q539 CarbonylContact C-O 3.34Å; C533-Q539 WeakPolarHBondContact CA-O 3.32Å
534	C	65.6	Low	63.7	Low	3 Å²	3	76.3 Å²	76.3	2%	0.02	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-69.4	121.8	170.7	-178.8	0	0	0	0	111.2	I536 C537 G538 Q539 F541 L547 H550	C534-I536 PolarHBondContact O-N 3.03Å; C534-C537 VanDerWaalsContact CB-SG 3.57Å; C534-G538 VanDerWaalsContact O-CA 3.25Å; C534-G538 WeakPolarHBondContact O-CA 3.3Å; C534-G538 PolarHBondContact O-N 3.05Å; C534-Q539 PolarHBondContact N-O 3.35Å; C534-F541 HydrophobicContact CB-CE2 3.96Å; C534-L547 HydrophobicContact CB-CD1 3.76Å; C534-H550 VanDerWaalsContact SG-CD2 3.52Å
535	A	61.6	Low	63.9	Low	45 Å²	45	78.7 Å²	78.7	37%	0.372	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.7	-179.2	0	0	0	0	0	113.6	D508 C533	D508-A535 WeakPolarHBondContact O-CB 3.46Å; C533-A535 PolarHBondContact O-N 3.19Å
536	I	64.4	Low	64.1	Low	115 Å²	115	82.7 Å²	82.7	59%	0.59	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-46.3	-173.1	-56.9	171.9	0	0	0	111.4	C534 H554	C534-I536 PolarHBondContact O-N 3.03Å; I536-H554 HydrophobicContact CD1-CB 3.54Å; I536-H554 HydrophobicContact CG2-CB 4.46Å
537	C	69.4	Low	64.4	Low	55 Å²	55	81.6 Å²	81.6	37%	0.372	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-8.1	-173.9	71.3	0	0	0	0	114.9	C534 Q539 H550	C534-C537 VanDerWaalsContact CB-SG 3.57Å; C537-Q539 VanDerWaalsContact C-N 3.29Å; C537-Q539 PolarHBondContact O-N 3.05Å; C537-H550 PolarHBondContact SG-NE2 2.81Å
538	G	61.2	Low	65	Low	55 Å²	55	79.5 Å²	79.5	57%	0.567	43%	0.427	S	S	*	.			trans	76.5	1.1	-179.6	0	0	0	0	0	116.4	C534	C534-G538 VanDerWaalsContact O-CA 3.25Å; C534-G538 WeakPolarHBondContact O-CA 3.3Å; C534-G538 PolarHBondContact O-N 3.05Å
539	Q	64.3	Low	66.3	Low	104 Å²	104	73 Å²	73	49%	0.486	41%	0.414	S	S	.	.			trans	-64.7	147.5	177.2	-69.8	178.8	2.4	0	0	112.1	C533 C534 C537 F541 H550	C533-Q539 CarbonylContact C-O 3.34Å; C533-Q539 WeakPolarHBondContact CA-O 3.32Å; C534-Q539 PolarHBondContact N-O 3.35Å; C537-Q539 VanDerWaalsContact C-N 3.29Å; C537-Q539 PolarHBondContact O-N 3.05Å; Q539-F541 HydrophobicContact CB-CE2 3.63Å; Q539-F541 HydrophobicContact CB-CZ 3.71Å; Q539-F541 WeakPolarHBondContact O-CE2 3.36Å; Q539-H550 PolarHBondContact OE1-CE1 3.17Å
540	T	63.3	Low	67.6	Low	97 Å²	97	68.1 Å²	68.1	60%	0.595	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.4	-175.5	52.3	0	0	0	0	111.1
541	F	67.5	Low	68.6	Low	32 Å²	32	68.4 Å²	68.4	14%	0.14	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.5	-175.6	-61.4	-84.7	0	0	0	111	A531 F532 C534 Q539 D543 R546 L547 H550	A531-F541 CarbonylContact C-O 3.58Å; A531-F541 WeakPolarHBondContact CA-O 3.43Å; F532-F541 PolarHBondContact N-O 3.11Å; F532-F541 PolarHBondContact O-N 3.11Å; C534-F541 HydrophobicContact CB-CE2 3.96Å; Q539-F541 HydrophobicContact CB-CE2 3.63Å; Q539-F541 HydrophobicContact CB-CZ 3.71Å; Q539-F541 WeakPolarHBondContact O-CE2 3.36Å; F541-D543 VanDerWaalsContact C-N 3.26Å; F541-D543 PolarHBondContact O-N 3.12Å; F541-R546 HydrophobicContact CB-CB 4.26Å; F541-R546 HydrophobicContact CD1-CB 4.1Å; F541-R546 HydrophobicContact CG-CB 4.49Å; F541-L547 HydrophobicContact CB-CB 4.29Å; F541-L547 HydrophobicContact CD2-CB 4.23Å; F541-L547 HydrophobicContact CD2-CD1 3.92Å; F541-L547 HydrophobicContact CE2-CD1 4.27Å; F541-L547 HydrophobicContact CG-CB 4.4Å; F541-H550 HydrophobicContact CE1-CB 3.94Å; F541-H550 AromaticContact CE1-CG 3.96Å; F541-H550 HydrophobicContact CE2-CB 4.17Å; F541-H550 AromaticContact CE2-CD2 3.76Å; F541-H550 AromaticContact CE2-CG 3.81Å; F541-H550 HydrophobicContact CZ-CB 3.7Å; F541-H550 AromaticContact CZ-CD2 3.67Å; F541-H550 AromaticContact CZ-CE1 3.78Å; F541-H550 AromaticContact CZ-CG 3.29Å; F541-H550 AromaticContact CZ-ND1 3.38Å; F541-H550 WeakPolarHBondContact CZ-ND1 3.48Å; F541-H550 AromaticContact CZ-NE2 3.97Å
542	D	67	Low	69.5	Low	108 Å²	108	74.3 Å²	74.3	58%	0.578	40%	0.396	S	S	*	.	S	Bend	trans	-71.3	-13.2	-177.1	51.1	-34.2	0	0	0	114.8	R546	D542-R546 WeakPolarHBondContact OD1-CD 3.12Å; D542-R546 IonicContact OD1-CZ 3.5Å; D542-R546 IonicContact OD1-NE 3.18Å; D542-R546 IonicContact OD1-NH1 2.7Å; D542-R546 PolarHBondContact OD1-NH1 3.45Å; D542-R546 IonicContact OD2-CZ 3.46Å; D542-R546 IonicContact OD2-NH1 2.71Å; D542-R546 PolarHBondContact OD2-NH1 2.87Å; D542-R546 IonicContact OD2-NH2 3.89Å
543	D	65.2	Low	70.2	Confident	51 Å²	51	78.9 Å²	78.9	27%	0.273	42%	0.415	S	S	.	.	S	Bend	trans	-143.6	164.7	172.6	69.7	58.7	0	0	0	112.8	F541 E545 R546 L547	F541-D543 VanDerWaalsContact C-N 3.26Å; F541-D543 PolarHBondContact O-N 3.12Å; D543-E545 PolarHBondContact OD1-N 3.04Å; D543-R546 WeakPolarHBondContact OD1-CB 3.18Å; D543-R546 VanDerWaalsContact OD1-CG 3.29Å; D543-R546 WeakPolarHBondContact OD1-CG 3.08Å; D543-R546 PolarHBondContact OD1-N 2.97Å; D543-R546 WeakPolarHBondContact OD2-CD 3.25Å; D543-R546 WeakPolarHBondContact OD2-CG 3.45Å; D543-R546 IonicContact OD2-CZ 3.56Å; D543-R546 IonicContact OD2-NE 3.69Å; D543-R546 PolarHBondContact OD2-NE 3.38Å; D543-R546 IonicContact OD2-NH2 3.97Å; D543-L547 PolarHBondContact O-N 2.99Å
544	E	71.1	Confident	70.8	Confident	119 Å²	119	80.7 Å²	80.7	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-72.6	-29.7	-177.2	-163.8	167.9	-173.9	0	0	112.5	F532 L547 L548	F532-E544 HydrophobicContact CD1-CB 3.87Å; F532-E544 HydrophobicContact CD1-CG 3.91Å; F532-E544 HydrophobicContact CD2-CB 4.49Å; F532-E544 HydrophobicContact CE1-CB 3.54Å; F532-E544 HydrophobicContact CE1-CG 3.72Å; F532-E544 HydrophobicContact CE2-CB 4.22Å; F532-E544 HydrophobicContact CG-CB 4.35Å; F532-E544 HydrophobicContact CZ-CB 3.74Å; F532-E544 HydrophobicContact CZ-CG 4.41Å; E544-L547 PolarHBondContact O-N 3.4Å; E544-L548 HydrophobicContact CG-CD1 4.27Å; E544-L548 VanDerWaalsContact O-CG 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.47Å; E544-L548 PolarHBondContact O-N 3.25Å
545	E	76.5	Confident	70.7	Confident	160 Å²	160	87.2 Å²	87.2	75%	0.748	46%	0.455	S	S	*	.	H	α-helix	trans	-74.4	-39.1	-175.7	-172.3	166.5	-162.1	0	0	111.4	D543 L548 A549	D543-E545 PolarHBondContact OD1-N 3.04Å; E545-L548 PolarHBondContact O-N 2.82Å; E545-A549 VanDerWaalsContact O-CB 3.28Å; E545-A549 WeakPolarHBondContact O-CB 3.24Å; E545-A549 PolarHBondContact O-N 2.94Å
546	R	74.4	Confident	70.2	Confident	130 Å²	130	93.6 Å²	93.6	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-39.5	169.2	-70.8	175.2	-165.3	-168.7	1.1	111.9	F541 D542 D543 A549 H550	F541-R546 HydrophobicContact CB-CB 4.26Å; F541-R546 HydrophobicContact CD1-CB 4.1Å; F541-R546 HydrophobicContact CG-CB 4.49Å; D542-R546 WeakPolarHBondContact OD1-CD 3.12Å; D542-R546 IonicContact OD1-CZ 3.5Å; D542-R546 IonicContact OD1-NE 3.18Å; D542-R546 IonicContact OD1-NH1 2.7Å; D542-R546 PolarHBondContact OD1-NH1 3.45Å; D542-R546 IonicContact OD2-CZ 3.46Å; D542-R546 IonicContact OD2-NH1 2.71Å; D542-R546 PolarHBondContact OD2-NH1 2.87Å; D542-R546 IonicContact OD2-NH2 3.89Å; D543-R546 WeakPolarHBondContact OD1-CB 3.18Å; D543-R546 VanDerWaalsContact OD1-CG 3.29Å; D543-R546 WeakPolarHBondContact OD1-CG 3.08Å; D543-R546 PolarHBondContact OD1-N 2.97Å; D543-R546 WeakPolarHBondContact OD2-CD 3.25Å; D543-R546 WeakPolarHBondContact OD2-CG 3.45Å; D543-R546 IonicContact OD2-CZ 3.56Å; D543-R546 IonicContact OD2-NE 3.69Å; D543-R546 PolarHBondContact OD2-NE 3.38Å; D543-R546 IonicContact OD2-NH2 3.97Å; R546-A549 PolarHBondContact O-N 3.5Å; R546-H550 WeakPolarHBondContact O-CB 3.3Å; R546-H550 PolarHBondContact O-N 3.13Å
547	L	74.9	Confident	70.5	Confident	17 Å²	17	92.6 Å²	92.6	9%	0.089	48%	0.484	C	S	.	.	H	α-helix	trans	-60.4	-49.5	172.2	171.7	61.1	0	0	0	110.5	F532 C534 F541 D543 E544 A549 H550 Q551	F532-L547 HydrophobicContact CB-CB 3.98Å; F532-L547 HydrophobicContact CB-CD2 3.73Å; F532-L547 HydrophobicContact CB-CG 4.42Å; C534-L547 HydrophobicContact CB-CD1 3.76Å; F541-L547 HydrophobicContact CB-CB 4.29Å; F541-L547 HydrophobicContact CD2-CB 4.23Å; F541-L547 HydrophobicContact CD2-CD1 3.92Å; F541-L547 HydrophobicContact CE2-CD1 4.27Å; F541-L547 HydrophobicContact CG-CB 4.4Å; D543-L547 PolarHBondContact O-N 2.99Å; E544-L547 PolarHBondContact O-N 3.4Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.35Å; L547-H550 PolarHBondContact O-N 3.27Å; L547-Q551 HydrophobicContact CD1-CG 3.89Å; L547-Q551 HydrophobicContact CG-CG 4.34Å; L547-Q551 WeakPolarHBondContact O-CB 3.47Å; L547-Q551 WeakPolarHBondContact O-CG 3.2Å; L547-Q551 PolarHBondContact O-N 3.26Å
548	L	75.4	Confident	70.6	Confident	84 Å²	84	94.5 Å²	94.5	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-37.6	179.9	-70.8	166.3	0	0	0	112.3	E544 E545 H550 K552	E544-L548 HydrophobicContact CG-CD1 4.27Å; E544-L548 VanDerWaalsContact O-CG 3.3Å; E544-L548 WeakPolarHBondContact O-CG 3.47Å; E544-L548 PolarHBondContact O-N 3.25Å; E545-L548 PolarHBondContact O-N 2.82Å; L548-H550 VanDerWaalsContact C-N 3.34Å; L548-K552 WeakPolarHBondContact O-CG 3.24Å; L548-K552 PolarHBondContact O-N 3.05Å
549	A	79	Confident	71.1	Confident	53 Å²	53	96.7 Å²	96.7	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-70	-29.5	174.4	0	0	0	0	0	112.9	E545 R546 L547	E545-A549 VanDerWaalsContact O-CB 3.28Å; E545-A549 WeakPolarHBondContact O-CB 3.24Å; E545-A549 PolarHBondContact O-N 2.94Å; R546-A549 PolarHBondContact O-N 3.5Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.35Å
550	H	78.4	Confident	71.5	Confident	29 Å²	29	96.3 Å²	96.3	13%	0.134	49%	0.486	C	S	.	.	H	α-helix	trans	-76.3	-42.1	172.6	173.7	90	0	0	0	112	C534 C537 Q539 F541 R546 L547 L548 K552 K553 H554	C534-H550 VanDerWaalsContact SG-CD2 3.52Å; C537-H550 PolarHBondContact SG-NE2 2.81Å; Q539-H550 PolarHBondContact OE1-CE1 3.17Å; F541-H550 HydrophobicContact CE1-CB 3.94Å; F541-H550 AromaticContact CE1-CG 3.96Å; F541-H550 HydrophobicContact CE2-CB 4.17Å; F541-H550 AromaticContact CE2-CD2 3.76Å; F541-H550 AromaticContact CE2-CG 3.81Å; F541-H550 HydrophobicContact CZ-CB 3.7Å; F541-H550 AromaticContact CZ-CD2 3.67Å; F541-H550 AromaticContact CZ-CE1 3.78Å; F541-H550 AromaticContact CZ-CG 3.29Å; F541-H550 AromaticContact CZ-ND1 3.38Å; F541-H550 WeakPolarHBondContact CZ-ND1 3.48Å; F541-H550 AromaticContact CZ-NE2 3.97Å; R546-H550 WeakPolarHBondContact O-CB 3.3Å; R546-H550 PolarHBondContact O-N 3.13Å; L547-H550 PolarHBondContact O-N 3.27Å; L548-H550 VanDerWaalsContact C-N 3.34Å; H550-K552 VanDerWaalsContact C-N 3.3Å; H550-K552 PolarHBondContact O-N 2.91Å; H550-K553 WeakPolarHBondContact O-CB 3.47Å; H550-K553 PolarHBondContact O-N 2.94Å; H550-H554 AromaticContact CD2-NE2 3.55Å; H550-H554 AromaticContact CE1-NE2 3.58Å; H550-H554 AromaticContact NE2-CD2 3.87Å; H550-H554 AromaticContact NE2-CE1 3.88Å; H550-H554 AromaticContact NE2-NE2 2.92Å; H550-H554 PolarHBondContact NE2-NE2 3.03Å; H550-H554 PolarHBondContact O-CD2 3.02Å
551	Q	73.1	Confident	72	Confident	59 Å²	59	96.3 Å²	96.3	28%	0.276	48%	0.479	S	S	.	.	H	α-helix	trans	-57.7	-42.3	178	-78.8	174.9	-16	0	0	111.7	L547 K553 H554	L547-Q551 HydrophobicContact CD1-CG 3.89Å; L547-Q551 HydrophobicContact CG-CG 4.34Å; L547-Q551 WeakPolarHBondContact O-CB 3.47Å; L547-Q551 WeakPolarHBondContact O-CG 3.2Å; L547-Q551 PolarHBondContact O-N 3.26Å; Q551-K553 PolarHBondContact O-N 2.73Å; Q551-H554 PolarHBondContact O-N 3.12Å
552	K	81.1	Confident	72.3	Confident	148 Å²	148	100.5 Å²	100.5	64%	0.643	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-11.1	173.5	-71.4	170.5	-176.8	175.2	0	115.2	L548 H550	L548-K552 WeakPolarHBondContact O-CG 3.24Å; L548-K552 PolarHBondContact O-N 3.05Å; H550-K552 VanDerWaalsContact C-N 3.3Å; H550-K552 PolarHBondContact O-N 2.91Å
553	K	78.7	Confident	72.7	Confident	162 Å²	162	100 Å²	100	70%	0.704	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.7	173.9	-56.9	-175.8	-178.8	-175.1	0	113.7	H550 Q551	H550-K553 WeakPolarHBondContact O-CB 3.47Å; H550-K553 PolarHBondContact O-N 2.94Å; Q551-K553 PolarHBondContact O-N 2.73Å
554	H	75.8	Confident	73.3	Confident	68 Å²	68	103.8 Å²	103.8	32%	0.315	51%	0.513	S	S	.	.	S	Bend	trans	-106.5	-7.6	169.6	-57.5	-95.7	0	0	0	112.4	I536 H550 Q551 V556	I536-H554 HydrophobicContact CD1-CB 3.54Å; I536-H554 HydrophobicContact CG2-CB 4.46Å; H550-H554 AromaticContact CD2-NE2 3.55Å; H550-H554 AromaticContact CE1-NE2 3.58Å; H550-H554 AromaticContact NE2-CD2 3.87Å; H550-H554 AromaticContact NE2-CE1 3.88Å; H550-H554 AromaticContact NE2-NE2 2.92Å; H550-H554 PolarHBondContact NE2-NE2 3.03Å; H550-H554 PolarHBondContact O-CD2 3.02Å; Q551-H554 PolarHBondContact O-N 3.12Å; H554-V556 PolarHBondContact O-N 2.81Å
555	D	62.3	Low	73.5	Confident	140 Å²	140	102.5 Å²	102.5	75%	0.749	51%	0.51	S	S	*	.			trans	-89.6	22.9	171.4	-74.2	-55.8	0	0	0	112
556	V	52.1	Low	73.2	Confident	180 Å²	180	97.3 Å²	97.3	100%	1.091	49%	0.488	S	S	*	.			trans	-135.8	0	179.9	-175.3	0	0	0	0	109.6	H554	H554-V556 PolarHBondContact O-N 2.81Å

Retrieved 556 of 556 residues in 123.9 ms (Link to these results)

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