A0A087XG58_POEFO Loading...

Isocitrate dehydrogenase [NAD] subunit, mitochondrial

Catalytic subunit of the enzyme which catalyzes the decarboxylation of isocitrate (ICT) into alpha-ketoglutarate. The heterodimer composed of the alpha (IDH3A) and beta (IDH3B) subunits and the heterodimer composed of the alpha (IDH3A) and gamma (IDH3G) subunits, have considerable basal activity but the full activity of the heterotetramer (containing two subunits of IDH3A, one of IDH3B and one of IDH3G) requires the assembly and cooperative function of both heterodimers.

AlphaFold DB , UniProt , Accession A0A087XG58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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	L	34.8	Very low	34.8	Very low	215 Å²	215	154.3 Å²	154.3	100%	1.126	81%	0.807	S	S	*	*				0	95.6	0	-84.3	140.4	0	0	0	107.7
2	K	29.5	Very low	35.3	Very low	178 Å²	178	146.5 Å²	146.5	77%	0.774	78%	0.782	S	S	*	*				74.8	102.8	113.9	-73.4	-161	172.2	176.8	0	113.5
3	I	33.2	Very low	35.8	Very low	155 Å²	155	141.5 Å²	141.5	80%	0.795	77%	0.765	S	S	*	*				83.5	118.6	86.5	-69.3	162.1	0	0	0	111.9
4	A	32.7	Very low	36.1	Very low	100 Å²	100	145.8 Å²	145.8	83%	0.826	77%	0.765	S	S	*	*				146.3	117.3	127.9	0	0	0	0	0	111.1
5	G	31.9	Very low	36.6	Very low	71 Å²	71	141.5 Å²	141.5	73%	0.732	75%	0.747	S	S	*	*			trans	154.5	53.2	167.1	0	0	0	0	0	114.7
6	N	37	Very low	37.1	Very low	170 Å²	170	137.7 Å²	137.7	91%	0.909	73%	0.731	S	S	*	*			trans	-167.4	70	157.5	-98.6	-16.6	0	0	0	110.1
7	M	34.4	Very low	37.3	Very low	167 Å²	167	132.8 Å²	132.8	82%	0.823	71%	0.714	S	S	*	*			trans	-153.2	93.7	167.9	-151.2	-170.5	-43.6	0	0	104.2
8	W	33.3	Very low	37.3	Very low	239 Å²	239	128.9 Å²	128.9	91%	0.905	70%	0.699	S	S	*	*	S	Bend	trans	178.5	6.6	166.9	-102.4	38.9	0	0	0	112.6
9	R	35.8	Very low	37.3	Very low	232 Å²	232	126.6 Å²	126.6	88%	0.875	69%	0.686	S	S	*	*	S	Bend	trans	-107.6	-7.1	173.9	-76.6	-172	174.6	-163.2	-0.7	115.8	S13	R9-S13 PolarHBondContact O-OG 2.92Å
10	S	41.8	Very low	37.4	Very low	79 Å²	79	127.3 Å²	127.3	55%	0.552	68%	0.682	S	S	*	*	S	Bend	trans	-99.9	-20.8	-178.8	77.1	0	0	0	0	115
11	T	38.8	Very low	37.2	Very low	91 Å²	91	126 Å²	126	56%	0.558	68%	0.675	S	S	*	*	H	α-helix	trans	-81.9	-40.6	-179.8	5.4	0	0	0	0	112.5	S13 R14 V15	T11-S13 PolarHBondContact O-N 3.33Å; T11-R14 PolarHBondContact O-N 2.81Å; T11-V15 WeakPolarHBondContact O-CG2 3.17Å; T11-V15 PolarHBondContact O-N 3.09Å
12	A	40.2	Very low	37.1	Very low	61 Å²	61	121.6 Å²	121.6	50%	0.504	65%	0.648	S	S	.	*	H	α-helix	trans	-63.7	-39.1	178.8	0	0	0	0	0	112.5	R14 V15 V16	A12-R14 PolarHBondContact O-N 2.94Å; A12-V15 PolarHBondContact O-N 2.98Å; A12-V16 WeakPolarHBondContact O-CB 3.48Å; A12-V16 VanDerWaalsContact O-CG2 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.31Å; A12-V16 PolarHBondContact O-N 2.84Å
13	S	41.6	Very low	37.4	Very low	81 Å²	81	120.1 Å²	120.1	57%	0.566	65%	0.648	S	S	*	*	H	α-helix	trans	-70.1	-31.3	178.5	-53.9	0	0	0	0	113.1	R9 T11 A17	R9-S13 PolarHBondContact O-OG 2.92Å; T11-S13 PolarHBondContact O-N 3.33Å; S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.3Å; S13-A17 PolarHBondContact O-N 2.89Å; S13-A17 VanDerWaalsContact O-N 3.07Å
14	R	40.1	Very low	37.5	Very low	202 Å²	202	119.2 Å²	119.2	76%	0.762	65%	0.645	S	S	*	*	H	α-helix	trans	-75.4	-37.3	175	-79.8	-178.1	171.9	-178.2	-2.3	112.4	T11 A12 A17 S18	T11-R14 PolarHBondContact O-N 2.81Å; A12-R14 PolarHBondContact O-N 2.94Å; R14-A17 PolarHBondContact O-N 3.38Å; R14-S18 VanDerWaalsContact O-CB 3.3Å; R14-S18 WeakPolarHBondContact O-CB 3.46Å; R14-S18 PolarHBondContact O-N 3.32Å
15	V	43.3	Very low	37.7	Very low	82 Å²	82	121.4 Å²	121.4	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-68.9	-40.6	176	173.6	0	0	0	0	111.2	T11 A12 S18 L19	T11-V15 WeakPolarHBondContact O-CG2 3.17Å; T11-V15 PolarHBondContact O-N 3.09Å; A12-V15 PolarHBondContact O-N 2.98Å; V15-S18 PolarHBondContact O-N 3.07Å; V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 WeakPolarHBondContact O-CD1 3.33Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 2.89Å
16	V	45.4	Very low	37.9	Very low	80 Å²	80	123.1 Å²	123.1	49%	0.485	64%	0.638	S	S	.	*	H	α-helix	trans	-69.7	-34	175.5	174.4	0	0	0	0	112.1	A12 K20	A12-V16 WeakPolarHBondContact O-CB 3.48Å; A12-V16 VanDerWaalsContact O-CG2 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.31Å; A12-V16 PolarHBondContact O-N 2.84Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.47Å
17	A	39.6	Very low	38.2	Very low	55 Å²	55	125.5 Å²	125.5	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-70.5	-37	173	0	0	0	0	0	112.4	S13 R14 N21	S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.3Å; S13-A17 PolarHBondContact O-N 2.89Å; S13-A17 VanDerWaalsContact O-N 3.07Å; R14-A17 PolarHBondContact O-N 3.38Å; A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.5Å
18	S	37.2	Very low	38.3	Very low	62 Å²	62	121.7 Å²	121.7	43%	0.434	63%	0.625	S	S	.	*	H	α-helix	trans	-65.4	-44.6	173.5	-168.5	0	0	0	0	111.6	R14 V15 N21 E22	R14-S18 VanDerWaalsContact O-CB 3.3Å; R14-S18 WeakPolarHBondContact O-CB 3.46Å; R14-S18 PolarHBondContact O-N 3.32Å; V15-S18 PolarHBondContact O-N 3.07Å; S18-N21 PolarHBondContact O-N 2.99Å; S18-E22 PolarHBondContact O-N 3.28Å
19	L	39	Very low	38.8	Very low	86 Å²	86	119.1 Å²	119.1	45%	0.45	62%	0.62	S	S	.	*	H	α-helix	trans	-69.1	-34.9	177.3	-76.5	162.3	0	0	0	112.6	V15 N21 E22 L23	V15-L19 HydrophobicContact CG1-CD1 3.76Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 WeakPolarHBondContact O-CD1 3.33Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 2.89Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-E22 PolarHBondContact O-N 2.97Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.37Å
20	K	37.6	Very low	39.3	Very low	139 Å²	139	112.7 Å²	112.7	60%	0.604	60%	0.602	S	S	*	*	H	α-helix	trans	-66.4	-36.6	170.4	-84.6	-175.2	173.3	-174.3	0	111.7	V16 L24	V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.47Å; K20-L24 VanDerWaalsContact O-CB 3.26Å; K20-L24 WeakPolarHBondContact O-CB 3.49Å; K20-L24 WeakPolarHBondContact O-CD1 3.38Å; K20-L24 WeakPolarHBondContact O-CG 2.99Å; K20-L24 PolarHBondContact O-N 2.72Å
21	N	33.9	Very low	39.8	Very low	101 Å²	101	121.2 Å²	121.2	54%	0.54	62%	0.622	S	S	.	*	H	α-helix	trans	-70.9	-35.2	174.6	-98.9	-1	0	0	0	112.7	A17 S18 L19 L24 Q25	A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.5Å; S18-N21 PolarHBondContact O-N 2.99Å; L19-N21 VanDerWaalsContact C-N 3.34Å; N21-L24 PolarHBondContact O-N 2.63Å; N21-Q25 VanDerWaalsContact O-CB 3.25Å; N21-Q25 WeakPolarHBondContact O-CB 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.39Å; N21-Q25 PolarHBondContact O-N 3.48Å
22	E	33.2	Very low	41.4	Very low	122 Å²	122	118.4 Å²	118.4	57%	0.57	61%	0.611	S	S	*	*	H	α-helix	trans	-71.1	-35.5	174.9	-78.7	176.4	164.9	0	0	112.5	S18 L19 Q25	S18-E22 PolarHBondContact O-N 3.28Å; L19-E22 PolarHBondContact O-N 2.97Å; E22-Q25 PolarHBondContact O-N 3.5Å
23	L	35.7	Very low	43.6	Very low	147 Å²	147	121.3 Å²	121.3	77%	0.77	62%	0.616	S	S	*	*	H	α-helix	trans	-77.6	-21.7	174.8	-79.5	158	0	0	0	113.6	L19	L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 PolarHBondContact O-N 3.37Å
24	L	35.1	Very low	46.1	Very low	137 Å²	137	119.6 Å²	119.6	72%	0.717	60%	0.599	S	S	*	*	H	α-helix	trans	-88.1	-9.2	170.2	-77.4	158.5	0	0	0	112.8	K20 N21 S26	K20-L24 VanDerWaalsContact O-CB 3.26Å; K20-L24 WeakPolarHBondContact O-CB 3.49Å; K20-L24 WeakPolarHBondContact O-CD1 3.38Å; K20-L24 WeakPolarHBondContact O-CG 2.99Å; K20-L24 PolarHBondContact O-N 2.72Å; N21-L24 PolarHBondContact O-N 2.63Å; L24-S26 PolarHBondContact O-N 2.91Å
25	Q	37.6	Very low	48.8	Very low	146 Å²	146	112 Å²	112	68%	0.682	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	75.8	173.2	-80.3	179.2	-1.7	0	0	111.4	N21 E22	N21-Q25 VanDerWaalsContact O-CB 3.25Å; N21-Q25 WeakPolarHBondContact O-CB 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.39Å; N21-Q25 PolarHBondContact O-N 3.48Å; E22-Q25 PolarHBondContact O-N 3.5Å
26	S	35	Very low	51.4	Low	107 Å²	107	108 Å²	108	75%	0.748	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.6	-3.9	152	66	0	0	0	0	115.3	L24 S28	L24-S26 PolarHBondContact O-N 2.91Å; S26-S28 PolarHBondContact O-N 2.79Å; S26-S28 VanDerWaalsContact O-N 3.07Å
27	R	42.8	Very low	53.9	Low	219 Å²	219	104.2 Å²	104.2	83%	0.826	53%	0.528	S	S	*	.			trans	-84.8	73.5	159.8	-70.4	-172	179.8	-177.9	0.8	108.9	F29	R27-F29 PolarHBondContact O-N 3.4Å
28	S	37.3	Very low	56.7	Low	88 Å²	88	101.9 Å²	101.9	62%	0.615	51%	0.508	S	S	*	.			trans	-51.9	110.2	161.6	176.9	0	0	0	0	107.3	S26 I30	S26-S28 PolarHBondContact O-N 2.79Å; S26-S28 VanDerWaalsContact O-N 3.07Å; S28-I30 PolarHBondContact O-N 2.74Å; S28-I30 VanDerWaalsContact OG-CG1 3.31Å; S28-I30 WeakPolarHBondContact OG-CG1 3.17Å
29	F	44.1	Very low	59.6	Low	185 Å²	185	99.1 Å²	99.1	81%	0.811	49%	0.488	S	S	*	.			trans	-66.4	83.9	159.1	-92.2	-91.1	0	0	0	105.9	R27 R31	R27-F29 PolarHBondContact O-N 3.4Å; F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.14Å
30	I	45.8	Very low	62.3	Low	97 Å²	97	95.8 Å²	95.8	50%	0.497	47%	0.472	S	S	.	.			trans	-64.4	100.2	170.8	-59.6	176.1	0	0	0	105.3	S28 G32	S28-I30 PolarHBondContact O-N 2.74Å; S28-I30 VanDerWaalsContact OG-CG1 3.31Å; S28-I30 WeakPolarHBondContact OG-CG1 3.17Å; I30-G32 PolarHBondContact O-N 3.19Å
31	R	52.4	Low	65	Low	258 Å²	258	90.1 Å²	90.1	97%	0.974	45%	0.453	S	S	*	.			trans	-70.4	26.4	169.4	-79.6	-172	174	-146.8	0.1	112.2	F29	F29-R31 VanDerWaalsContact C-N 3.31Å; F29-R31 PolarHBondContact O-N 3.14Å
32	G	73.1	Confident	67.8	Low	32 Å²	32	88.1 Å²	88.1	33%	0.33	44%	0.442	S	S	.	.	S	Bend	trans	-128.2	161.6	-176.4	0	0	0	0	0	110.5	I30 Q34	I30-G32 PolarHBondContact O-N 3.19Å; G32-Q34 PolarHBondContact O-N 2.86Å
33	M	86.2	Confident	70.8	Confident	122 Å²	122	83.9 Å²	83.9	60%	0.601	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-50.9	128.5	174.9	-159.7	77.2	82.6	0	0	110.1	P62 I63 E64	M33-P62 WeakPolarHBondContact CA-O 3.24Å; M33-P62 HydrophobicContact SD-CB 4.49Å; M33-I63 PolarHBondContact SD-N 3.42Å; M33-I63 VanDerWaalsContact SD-N 3.38Å; M33-E64 HydrophobicContact CG-CB 3.84Å
34	Q	93.2	Very high	73.7	Confident	45 Å²	45	77.2 Å²	77.2	21%	0.21	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.7	175.7	-66.1	-173.4	0.8	0	0	110	G32 P62 I63 E64 M320	G32-Q34 PolarHBondContact O-N 2.86Å; Q34-P62 PolarHBondContact N-O 2.85Å; Q34-I63 CarbonylContact O-C 3.53Å; Q34-I63 VanDerWaalsContact O-CA 3.24Å; Q34-I63 WeakPolarHBondContact O-CA 3.47Å; Q34-E64 PolarHBondContact O-N 3.3Å; Q34-M320 HydrophobicContact CB-CE 3.92Å
35	T	96.8	Very high	76.6	Confident	41 Å²	41	70.7 Å²	70.7	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.1	175.7	-46	0	0	0	0	110.3	E64 E66 T93	T35-E64 CarbonylContact C-O 3.59Å; T35-E64 VanDerWaalsContact CA-O 3.28Å; T35-E64 WeakPolarHBondContact CA-O 3.43Å; T35-E66 HydrophobicContact CG2-CB 3.71Å; T35-T93 HydrophobicContact CG2-CG2 3.95Å; T35-T93 WeakPolarHBondContact O-CB 3.42Å; T35-T93 WeakPolarHBondContact O-CG2 3.5Å
36	V	97.9	Very high	79.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.4	177.2	175.2	0	0	0	0	109.3	L38 I63 E64 W65 E66 I95 M316 M320	V36-L38 PolarHBondContact O-N 2.98Å; V36-I63 HydrophobicContact CB-CG2 3.89Å; V36-I63 HydrophobicContact CG2-CD1 4.16Å; V36-I63 HydrophobicContact CG2-CG1 4.31Å; V36-I63 HydrophobicContact CG2-CG2 3.72Å; V36-E64 PolarHBondContact N-O 3.47Å; V36-W65 HydrophobicContact CB-CE3 3.99Å; V36-W65 HydrophobicContact CB-CZ3 3.97Å; V36-W65 HydrophobicContact CG1-CE3 3.99Å; V36-W65 HydrophobicContact CG1-CZ3 3.58Å; V36-E66 PolarHBondContact O-N 3.43Å; V36-I95 HydrophobicContact CG1-CG2 4.15Å; V36-I95 HydrophobicContact CG2-CB 4.47Å; V36-I95 HydrophobicContact CG2-CG2 4.36Å; V36-M316 HydrophobicContact CG1-CE 4.2Å; V36-M316 HydrophobicContact CG1-SD 3.7Å; V36-M316 HydrophobicContact CG2-CE 4.48Å; V36-M320 HydrophobicContact CG2-CE 3.62Å; V36-M320 HydrophobicContact CG2-SD 4.07Å
37	T	98.3	Very high	82.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.5	175.8	-62.2	0	0	0	0	109.5	I39 E66 R68 S89 M90 T93 I95 G96 L97	T37-I39 HydrophobicContact CG2-CG1 4.18Å; T37-E66 CarbonylContact C-O 3.54Å; T37-E66 WeakPolarHBondContact CA-O 3.21Å; T37-R68 HydrophobicContact CG2-CB 4.12Å; T37-R68 HydrophobicContact CG2-CG 4.04Å; T37-S89 PolarHBondContact OG1-OG 3.39Å; T37-M90 VanDerWaalsContact CB-SD 3.59Å; T37-M90 HydrophobicContact CG2-CG 4.15Å; T37-M90 HydrophobicContact CG2-SD 3.96Å; T37-T93 PolarHBondContact OG1-OG1 2.85Å; T37-I95 PolarHBondContact N-O 2.85Å; T37-I95 VanDerWaalsContact N-O 3.08Å; T37-G96 CarbonylContact O-C 3.58Å; T37-G96 WeakPolarHBondContact O-CA 3.34Å; T37-L97 PolarHBondContact O-N 3.22Å
38	L	98.3	Very high	85	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128	173.4	-178.7	64	0	0	0	109.5	V36 P40 V53 W65 E66 E67 R68 L97	V36-L38 PolarHBondContact O-N 2.98Å; L38-P40 HydrophobicContact CG-CG 4.36Å; L38-V53 HydrophobicContact CD2-CG2 3.79Å; L38-W65 HydrophobicContact CB-CB 4.43Å; L38-W65 HydrophobicContact CB-CE3 3.91Å; L38-W65 HydrophobicContact CD1-CE3 4.36Å; L38-W65 HydrophobicContact CD1-CZ3 4.36Å; L38-E66 PolarHBondContact N-O 3.45Å; L38-E67 CarbonylContact O-C 3.55Å; L38-E67 WeakPolarHBondContact O-CA 3.16Å; L38-R68 PolarHBondContact O-N 3.07Å; L38-L97 HydrophobicContact CD1-CB 4.21Å; L38-L97 HydrophobicContact CD1-CD2 4.15Å; L38-L97 HydrophobicContact CD1-CG 4.34Å
39	I	97.6	Very high	87.8	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	94.6	173.5	-58.4	162.2	0	0	0	107	T37 G41 V70 L97 K98 G99 L101	T37-I39 HydrophobicContact CG2-CG1 4.18Å; I39-G41 PolarHBondContact O-N 2.66Å; I39-V70 HydrophobicContact CD1-CG1 3.68Å; I39-V70 HydrophobicContact CG1-CG1 3.92Å; I39-V70 HydrophobicContact CG2-CB 4.33Å; I39-V70 HydrophobicContact CG2-CG1 3.92Å; I39-V70 HydrophobicContact CG2-CG2 3.52Å; I39-L97 PolarHBondContact N-O 3.44Å; I39-K98 HydrophobicContact CB-CB 4.13Å; I39-K98 HydrophobicContact CB-CG 4.19Å; I39-K98 HydrophobicContact CD1-CB 4.37Å; I39-K98 HydrophobicContact CG2-CG 4.22Å; I39-K98 CarbonylContact O-C 3.5Å; I39-K98 WeakPolarHBondContact O-CA 3.38Å; I39-G99 PolarHBondContact O-N 3.42Å; I39-L101 HydrophobicContact CG2-CD2 4.43Å
40	P	96.4	Very high	90.4	Very high	17 Å²	17	42.9 Å²	42.9	11%	0.11	24%	0.239	C	C	.	.			trans	-59.6	-32.5	-174.7	-24.8	33.6	0	0	0	113.2	L38 G45 P46 S49 E67	L38-P40 HydrophobicContact CG-CG 4.36Å; P40-G45 CarbonylContact O-C 3.53Å; P40-G45 WeakPolarHBondContact O-CA 3.35Å; P40-P46 HydrophobicContact CB-CG 4.4Å; P40-S49 WeakPolarHBondContact CA-OG 3.24Å; P40-S49 PolarHBondContact O-OG 3.06Å; P40-E67 HydrophobicContact CG-CG 3.67Å
41	G	93.9	Very high	92.9	Very high	20 Å²	20	38.6 Å²	38.6	21%	0.206	22%	0.218	C	C	.	.			trans	78.3	-154.3	178.4	0	0	0	0	0	113.5	I39 P100	I39-G41 PolarHBondContact O-N 2.66Å; G41-P100 CarbonylContact C-O 3.57Å; G41-P100 WeakPolarHBondContact CA-O 3.5Å
42	D	94.1	Very high	95.1	Very high	58 Å²	58	26.3 Å²	26.3	31%	0.31	17%	0.171	S	C	.	.	S	Bend	trans	-118.2	162.1	-169.6	-57.3	-60.8	0	0	0	112.3	I44 G45 P100 L101 K102 T294	D42-I44 PolarHBondContact O-N 3.46Å; D42-G45 PolarHBondContact O-N 3.4Å; D42-P100 PolarHBondContact N-O 3.4Å; D42-L101 WeakPolarHBondContact OD2-CA 3.45Å; D42-K102 HydrophobicContact CB-CB 4.03Å; D42-K102 PolarHBondContact OD2-N 3.07Å; D42-T294 HydrophobicContact CB-CG2 3.97Å
43	G	94.7	Very high	96.3	Very high	34 Å²	34	26.6 Å²	26.6	35%	0.351	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-119.2	176.6	0	0	0	0	0	111.6	G45 P46 T294 A299	G43-G45 PolarHBondContact O-N 3.36Å; G43-P46 WeakPolarHBondContact O-CD 3.36Å; G43-T294 WeakPolarHBondContact CA-O 2.78Å; G43-A299 VanDerWaalsContact C-CB 3.47Å
44	I	96.2	Very high	96.9	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.036	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.8	174.5	65.4	168.2	0	0	0	113.3	D42 E47 I48 P100 T294 A295 I298 A299 A304	D42-I44 PolarHBondContact O-N 3.46Å; I44-E47 VanDerWaalsContact CA-OE1 3.24Å; I44-E47 WeakPolarHBondContact CA-OE1 3.19Å; I44-E47 HydrophobicContact CB-CG 4.48Å; I44-E47 WeakPolarHBondContact CB-OE1 3.26Å; I44-E47 WeakPolarHBondContact CG2-OE1 3.36Å; I44-E47 WeakPolarHBondContact O-CG 3.34Å; I44-E47 PolarHBondContact O-N 3.22Å; I44-I48 HydrophobicContact CD1-CD1 4.36Å; I44-I48 HydrophobicContact CG1-CD1 4.41Å; I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.3Å; I44-P100 HydrophobicContact CG1-CG 4.06Å; I44-T294 PolarHBondContact N-O 3.17Å; I44-A295 HydrophobicContact CD1-CB 4.05Å; I44-A295 HydrophobicContact CG1-CB 4.32Å; I44-A295 HydrophobicContact CG2-CB 3.81Å; I44-A295 WeakPolarHBondContact CG2-O 3.48Å; I44-I298 HydrophobicContact CG2-CD1 4.1Å; I44-I298 HydrophobicContact CG2-CG1 3.72Å; I44-A299 HydrophobicContact CG2-CB 4.32Å; I44-A304 HydrophobicContact CB-CB 3.85Å; I44-A304 HydrophobicContact CD1-CB 4.09Å; I44-A304 HydrophobicContact CG2-CB 3.93Å
45	G	96.4	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-51.4	-49.6	-172.7	0	0	0	0	0	115.4	P40 D42 G43 E47 I48 S49	P40-G45 CarbonylContact O-C 3.53Å; P40-G45 WeakPolarHBondContact O-CA 3.35Å; D42-G45 PolarHBondContact O-N 3.4Å; G43-G45 PolarHBondContact O-N 3.36Å; G45-E47 VanDerWaalsContact C-N 3.32Å; G45-E47 PolarHBondContact O-N 3.03Å; G45-I48 WeakPolarHBondContact O-CG1 3.34Å; G45-S49 WeakPolarHBondContact O-CB 3.46Å; G45-S49 PolarHBondContact O-N 3.27Å; G45-S49 PolarHBondContact O-OG 3.33Å
46	P	97.1	Very high	97.2	Very high	64 Å²	64	21 Å²	21	42%	0.416	14%	0.135	S	C	.	.	H	α-helix	trans	-58.2	-39	176.6	-28	36.8	0	0	0	114.1	P40 G43 A50	P40-P46 HydrophobicContact CB-CG 4.4Å; G43-P46 WeakPolarHBondContact O-CD 3.36Å; P46-A50 WeakPolarHBondContact O-CB 3.45Å; P46-A50 PolarHBondContact O-N 3.08Å
47	E	96.8	Very high	97.2	Very high	34 Å²	34	25.9 Å²	25.9	16%	0.159	17%	0.165	C	C	.	.	H	α-helix	trans	-71.9	-44.2	-176	91.7	-163.1	112.2	0	0	111.7	I44 G45 A50 A51 D302 A304	I44-E47 VanDerWaalsContact CA-OE1 3.24Å; I44-E47 WeakPolarHBondContact CA-OE1 3.19Å; I44-E47 HydrophobicContact CB-CG 4.48Å; I44-E47 WeakPolarHBondContact CB-OE1 3.26Å; I44-E47 WeakPolarHBondContact CG2-OE1 3.36Å; I44-E47 WeakPolarHBondContact O-CG 3.34Å; I44-E47 PolarHBondContact O-N 3.22Å; G45-E47 VanDerWaalsContact C-N 3.32Å; G45-E47 PolarHBondContact O-N 3.03Å; E47-A50 PolarHBondContact O-N 3.38Å; E47-A51 PolarHBondContact O-N 2.91Å; E47-A51 VanDerWaalsContact O-N 3.09Å; E47-D302 WeakPolarHBondContact OE2-CA 3.35Å; E47-D302 PolarHBondContact OE2-N 2.87Å; E47-D302 VanDerWaalsContact OE2-N 3.16Å; E47-A304 HydrophobicContact CG-CB 3.81Å; E47-A304 WeakPolarHBondContact OE1-CB 3.34Å
48	I	97.4	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.4	-31.3	177	64	175	0	0	0	112	I44 G45 A51 V52 A304 P306 L309	I44-I48 HydrophobicContact CD1-CD1 4.36Å; I44-I48 HydrophobicContact CG1-CD1 4.41Å; I44-I48 WeakPolarHBondContact O-CG1 3.26Å; I44-I48 PolarHBondContact O-N 3.3Å; G45-I48 WeakPolarHBondContact O-CG1 3.34Å; I48-A51 WeakPolarHBondContact O-CB 3.35Å; I48-A51 PolarHBondContact O-N 3Å; I48-V52 WeakPolarHBondContact O-CG2 3.02Å; I48-V52 PolarHBondContact O-N 3.18Å; I48-A304 HydrophobicContact CG2-CB 3.66Å; I48-P306 HydrophobicContact CB-CB 4.12Å; I48-P306 HydrophobicContact CG2-CB 4.18Å; I48-L309 HydrophobicContact CB-CD2 4.36Å; I48-L309 HydrophobicContact CD1-CB 3.99Å; I48-L309 HydrophobicContact CD1-CD2 3.92Å; I48-L309 HydrophobicContact CG1-CB 4.44Å; I48-L309 HydrophobicContact CG1-CD2 3.7Å
49	S	98	Very high	97.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-67.9	-44.2	175.6	-61.1	0	0	0	0	110.9	P40 G45 A51 V52 V53	P40-S49 WeakPolarHBondContact CA-OG 3.24Å; P40-S49 PolarHBondContact O-OG 3.06Å; G45-S49 WeakPolarHBondContact O-CB 3.46Å; G45-S49 PolarHBondContact O-N 3.27Å; G45-S49 PolarHBondContact O-OG 3.33Å; S49-A51 VanDerWaalsContact C-N 3.28Å; S49-A51 PolarHBondContact O-N 3.08Å; S49-V52 PolarHBondContact O-N 2.9Å; S49-V53 WeakPolarHBondContact O-CG2 3.41Å; S49-V53 PolarHBondContact O-N 2.8Å
50	A	98.2	Very high	97.1	Very high	61 Å²	61	34.3 Å²	34.3	50%	0.504	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-38.3	174.1	0	0	0	0	0	111.9	P46 E47 V53 K54	P46-A50 WeakPolarHBondContact O-CB 3.45Å; P46-A50 PolarHBondContact O-N 3.08Å; E47-A50 PolarHBondContact O-N 3.38Å; A50-V53 PolarHBondContact O-N 3.15Å; A50-K54 WeakPolarHBondContact O-CB 3.49Å; A50-K54 PolarHBondContact O-N 3.35Å
51	A	98.4	Very high	97.2	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-47.4	173.7	0	0	0	0	0	112.4	E47 I48 S49 K54 I55 P306 T357	E47-A51 PolarHBondContact O-N 2.91Å; E47-A51 VanDerWaalsContact O-N 3.09Å; I48-A51 WeakPolarHBondContact O-CB 3.35Å; I48-A51 PolarHBondContact O-N 3Å; S49-A51 VanDerWaalsContact C-N 3.28Å; S49-A51 PolarHBondContact O-N 3.08Å; A51-K54 PolarHBondContact O-N 2.98Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.42Å; A51-P306 HydrophobicContact CB-CB 3.82Å; A51-P306 HydrophobicContact CB-CG 4.21Å; A51-T357 HydrophobicContact CB-CG2 3.9Å; A51-T357 VanDerWaalsContact CB-OG1 3.23Å; A51-T357 WeakPolarHBondContact CB-OG1 3.08Å
52	V	98.5	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177	173.6	0	0	0	0	111.5	I48 S49 K54 I55 F56 L97 L309 L310 A313	I48-V52 WeakPolarHBondContact O-CG2 3.02Å; I48-V52 PolarHBondContact O-N 3.18Å; S49-V52 PolarHBondContact O-N 2.9Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 3.49Å; V52-I55 PolarHBondContact O-N 3.07Å; V52-F56 HydrophobicContact CG1-CD2 3.89Å; V52-F56 HydrophobicContact CG1-CE2 3.77Å; V52-F56 HydrophobicContact CG1-CZ 4.41Å; V52-F56 VanDerWaalsContact O-CD2 3.29Å; V52-F56 WeakPolarHBondContact O-CD2 3.35Å; V52-F56 PolarHBondContact O-N 2.99Å; V52-L97 HydrophobicContact CG1-CD2 3.81Å; V52-L309 HydrophobicContact CG2-CB 4.34Å; V52-L309 HydrophobicContact CG2-CD2 4.23Å; V52-L309 HydrophobicContact CG2-CG 4.09Å; V52-L310 HydrophobicContact CG1-CD1 4.38Å; V52-L310 HydrophobicContact CG2-CB 4.07Å; V52-L310 HydrophobicContact CG2-CD1 4.14Å; V52-A313 HydrophobicContact CG1-CB 3.66Å
53	V	98.4	Very high	97.4	Very high	38 Å²	38	33.2 Å²	33.2	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-44.9	176.7	172	0	0	0	0	110.6	L38 S49 A50 I55 F56 V57 W65	L38-V53 HydrophobicContact CD2-CG2 3.79Å; S49-V53 WeakPolarHBondContact O-CG2 3.41Å; S49-V53 PolarHBondContact O-N 2.8Å; A50-V53 PolarHBondContact O-N 3.15Å; V53-I55 PolarHBondContact O-N 3.01Å; V53-F56 PolarHBondContact O-N 3.11Å; V53-V57 WeakPolarHBondContact O-CG2 3.41Å; V53-V57 PolarHBondContact O-N 3.47Å; V53-W65 HydrophobicContact CG2-CD2 4.34Å; V53-W65 HydrophobicContact CG2-CG 4.32Å; V53-W65 HydrophobicContact CG2-CZ2 4.45Å
54	K	98.5	Very high	97.5	Very high	86 Å²	86	37.1 Å²	37.1	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-42.1	178.4	-171.9	178.5	174.4	-171.1	0	112.3	A50 A51 V52 V57 A58 T357 E358	A50-K54 WeakPolarHBondContact O-CB 3.49Å; A50-K54 PolarHBondContact O-N 3.35Å; A51-K54 PolarHBondContact O-N 2.98Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 3.49Å; K54-V57 PolarHBondContact O-N 2.88Å; K54-A58 PolarHBondContact O-N 3.36Å; K54-T357 HydrophobicContact CB-CG2 4.23Å; K54-T357 HydrophobicContact CD-CG2 3.99Å; K54-T357 HydrophobicContact CG-CG2 4.4Å; K54-E358 WeakPolarHBondContact CE-OE2 3.46Å; K54-E358 IonicContact NZ-OE2 3.42Å; K54-E358 PolarHBondContact NZ-OE2 2.83Å
55	I	98.6	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-40.5	176.4	-67.4	163	0	0	0	110.9	A51 V52 V53 V57 A58 A59 L310 I329 T357 I360	A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 3.42Å; V52-I55 PolarHBondContact O-N 3.07Å; V53-I55 PolarHBondContact O-N 3.01Å; I55-V57 VanDerWaalsContact C-N 3.33Å; I55-V57 PolarHBondContact O-N 3.2Å; I55-A58 PolarHBondContact O-N 3.46Å; I55-A59 WeakPolarHBondContact O-CB 3.33Å; I55-A59 PolarHBondContact O-N 3.01Å; I55-L310 HydrophobicContact CB-CD1 4.39Å; I55-L310 HydrophobicContact CD1-CD1 3.91Å; I55-L310 HydrophobicContact CD1-CD2 3.81Å; I55-L310 HydrophobicContact CD1-CG 4.48Å; I55-L310 HydrophobicContact CG2-CD1 4.1Å; I55-I329 HydrophobicContact CG2-CD1 4.44Å; I55-I329 HydrophobicContact CG2-CG1 4.25Å; I55-I329 HydrophobicContact CG2-CG2 3.68Å; I55-T357 HydrophobicContact CD1-CG2 4.08Å; I55-T357 HydrophobicContact CG1-CG2 3.89Å; I55-I360 HydrophobicContact CD1-CB 4.25Å; I55-I360 HydrophobicContact CD1-CD1 4.26Å; I55-I360 HydrophobicContact CD1-CG2 3.98Å; I55-I360 HydrophobicContact CG1-CB 4.48Å; I55-I360 HydrophobicContact CG1-CG2 4.15Å; I55-I360 HydrophobicContact CG2-CG2 4.12Å
56	F	98.2	Very high	97.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-38	177.5	-87.5	-134.5	0	0	0	112.1	V52 V53 A59 E60 V61 I63 W65 A313 M316 L317 I329	V52-F56 HydrophobicContact CG1-CD2 3.89Å; V52-F56 HydrophobicContact CG1-CE2 3.77Å; V52-F56 HydrophobicContact CG1-CZ 4.41Å; V52-F56 VanDerWaalsContact O-CD2 3.29Å; V52-F56 WeakPolarHBondContact O-CD2 3.35Å; V52-F56 PolarHBondContact O-N 2.99Å; V53-F56 PolarHBondContact O-N 3.11Å; F56-A59 PolarHBondContact O-N 3.46Å; F56-E60 PolarHBondContact O-N 2.88Å; F56-E60 VanDerWaalsContact O-N 3.17Å; F56-V61 HydrophobicContact CB-CB 4.23Å; F56-V61 HydrophobicContact CB-CG2 4.06Å; F56-V61 HydrophobicContact CD1-CB 3.9Å; F56-V61 HydrophobicContact CD1-CG1 3.78Å; F56-V61 HydrophobicContact CD1-CG2 3.89Å; F56-V61 HydrophobicContact CE1-CG1 4.13Å; F56-V61 HydrophobicContact CG-CB 4.26Å; F56-V61 HydrophobicContact CG-CG2 3.91Å; F56-V61 WeakPolarHBondContact O-CG2 3.4Å; F56-V61 PolarHBondContact O-N 2.93Å; F56-I63 HydrophobicContact CD1-CD1 4.28Å; F56-I63 HydrophobicContact CE1-CD1 3.98Å; F56-W65 HydrophobicContact CB-CZ2 4.39Å; F56-W65 HydrophobicContact CD1-CH2 4.09Å; F56-W65 AromaticContact CD1-CZ2 3.42Å; F56-W65 HydrophobicContact CD1-CZ2 3.42Å; F56-W65 VanDerWaalsContact CD1-CZ2 3.42Å; F56-W65 AromaticContact CE1-CH2 3.98Å; F56-W65 HydrophobicContact CE1-CH2 3.98Å; F56-W65 AromaticContact CE1-CZ2 3.8Å; F56-W65 HydrophobicContact CE1-CZ2 3.8Å; F56-W65 AromaticContact CG-CZ2 3.97Å; F56-W65 HydrophobicContact CG-CZ2 3.97Å; F56-A313 HydrophobicContact CE2-CB 3.79Å; F56-A313 HydrophobicContact CZ-CB 3.59Å; F56-M316 HydrophobicContact CE1-CE 3.9Å; F56-M316 HydrophobicContact CZ-CE 4.31Å; F56-L317 HydrophobicContact CE1-CD1 4Å; F56-L317 HydrophobicContact CE1-CD2 3.69Å; F56-L317 HydrophobicContact CE1-CG 3.92Å; F56-L317 HydrophobicContact CE2-CD1 4.18Å; F56-L317 HydrophobicContact CZ-CD1 3.59Å; F56-L317 HydrophobicContact CZ-CD2 4.06Å; F56-L317 HydrophobicContact CZ-CG 3.73Å; F56-I329 HydrophobicContact CD2-CD1 3.91Å; F56-I329 HydrophobicContact CE2-CD1 3.89Å
57	V	97.7	Very high	97.6	Very high	104 Å²	104	43.9 Å²	43.9	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-63.7	-46.2	172.5	171.7	0	0	0	0	110.7	V53 K54 I55 A59 E60	V53-V57 WeakPolarHBondContact O-CG2 3.41Å; V53-V57 PolarHBondContact O-N 3.47Å; K54-V57 PolarHBondContact O-N 2.88Å; I55-V57 VanDerWaalsContact C-N 3.33Å; I55-V57 PolarHBondContact O-N 3.2Å; V57-A59 PolarHBondContact O-N 2.98Å; V57-E60 PolarHBondContact O-N 2.99Å; V57-E60 VanDerWaalsContact O-N 3.09Å
58	A	97.9	Very high	97.6	Very high	15 Å²	15	45.7 Å²	45.7	12%	0.124	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-29.6	177.5	0	0	0	0	0	113.2	K54 I55 E60 C361	K54-A58 PolarHBondContact O-N 3.36Å; I55-A58 PolarHBondContact O-N 3.46Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-C361 HydrophobicContact CB-CB 3.9Å
59	A	97.4	Very high	97.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.6	176.5	0	0	0	0	0	114	I55 F56 V57 V61 H325 I329 V364	I55-A59 WeakPolarHBondContact O-CB 3.33Å; I55-A59 PolarHBondContact O-N 3.01Å; F56-A59 PolarHBondContact O-N 3.46Å; V57-A59 PolarHBondContact O-N 2.98Å; A59-V61 HydrophobicContact CB-CG2 3.85Å; A59-V61 PolarHBondContact O-N 3.49Å; A59-H325 PolarHBondContact O-CD2 3.48Å; A59-H325 VanDerWaalsContact O-CD2 3.3Å; A59-I329 HydrophobicContact CB-CD1 3.75Å; A59-I329 HydrophobicContact CB-CG1 3.71Å; A59-V364 VanDerWaalsContact CA-CG1 3.42Å; A59-V364 HydrophobicContact CB-CG1 3.55Å
60	E	96.6	Very high	97	Very high	167 Å²	167	50.5 Å²	50.5	78%	0.78	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.6	-176.6	-58.5	178.8	-174.2	0	0	112.1	F56 V57 A58 H325	F56-E60 PolarHBondContact O-N 2.88Å; F56-E60 VanDerWaalsContact O-N 3.17Å; V57-E60 PolarHBondContact O-N 2.99Å; V57-E60 VanDerWaalsContact O-N 3.09Å; A58-E60 VanDerWaalsContact C-N 3.33Å; E60-H325 PolarHBondContact O-NE2 3.05Å
61	V	97.3	Very high	96.5	Very high	15 Å²	15	51.3 Å²	51.3	9%	0.091	26%	0.261	C	S	.	.			trans	-68.8	131	176.8	-177.1	0	0	0	0	109	F56 A59 I63 L317 L322 H325 I329	F56-V61 HydrophobicContact CB-CB 4.23Å; F56-V61 HydrophobicContact CB-CG2 4.06Å; F56-V61 HydrophobicContact CD1-CB 3.9Å; F56-V61 HydrophobicContact CD1-CG1 3.78Å; F56-V61 HydrophobicContact CD1-CG2 3.89Å; F56-V61 HydrophobicContact CE1-CG1 4.13Å; F56-V61 HydrophobicContact CG-CB 4.26Å; F56-V61 HydrophobicContact CG-CG2 3.91Å; F56-V61 WeakPolarHBondContact O-CG2 3.4Å; F56-V61 PolarHBondContact O-N 2.93Å; A59-V61 HydrophobicContact CB-CG2 3.85Å; A59-V61 PolarHBondContact O-N 3.49Å; V61-I63 HydrophobicContact CG1-CB 4.14Å; V61-I63 HydrophobicContact CG1-CD1 3.6Å; V61-I63 HydrophobicContact CG1-CG1 3.76Å; V61-I63 PolarHBondContact O-N 3.07Å; V61-L317 HydrophobicContact CG1-CD2 3.64Å; V61-L322 HydrophobicContact CG1-CD1 4.25Å; V61-H325 HydrophobicContact CG2-CB 4.19Å; V61-I329 HydrophobicContact CG2-CD1 3.94Å
62	P	96.8	Very high	95.8	Very high	42 Å²	42	51.7 Å²	51.7	27%	0.273	26%	0.264	S	S	.	.	S	Bend	trans	-78.6	58.4	-178.5	34.3	-37.8	0	0	0	111.8	M33 Q34 L322	M33-P62 WeakPolarHBondContact CA-O 3.24Å; M33-P62 HydrophobicContact SD-CB 4.49Å; Q34-P62 PolarHBondContact N-O 2.85Å; P62-L322 HydrophobicContact CG-CD1 4.21Å; P62-L322 HydrophobicContact CG-CD2 3.87Å
63	I	96.4	Very high	95.3	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.077	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.7	179.6	-70.6	173.2	0	0	0	110.7	M33 Q34 V36 F56 V61 W65 M316 L317 M320 L322	M33-I63 PolarHBondContact SD-N 3.42Å; M33-I63 VanDerWaalsContact SD-N 3.38Å; Q34-I63 CarbonylContact O-C 3.53Å; Q34-I63 VanDerWaalsContact O-CA 3.24Å; Q34-I63 WeakPolarHBondContact O-CA 3.47Å; V36-I63 HydrophobicContact CB-CG2 3.89Å; V36-I63 HydrophobicContact CG2-CD1 4.16Å; V36-I63 HydrophobicContact CG2-CG1 4.31Å; V36-I63 HydrophobicContact CG2-CG2 3.72Å; F56-I63 HydrophobicContact CD1-CD1 4.28Å; F56-I63 HydrophobicContact CE1-CD1 3.98Å; V61-I63 HydrophobicContact CG1-CB 4.14Å; V61-I63 HydrophobicContact CG1-CD1 3.6Å; V61-I63 HydrophobicContact CG1-CG1 3.76Å; V61-I63 PolarHBondContact O-N 3.07Å; I63-W65 HydrophobicContact CG2-CD2 4.05Å; I63-W65 HydrophobicContact CG2-CE3 4.24Å; I63-W65 HydrophobicContact CG2-CH2 4.48Å; I63-W65 HydrophobicContact CG2-CZ2 4.27Å; I63-W65 HydrophobicContact CG2-CZ3 4.45Å; I63-M316 HydrophobicContact CD1-CE 3.97Å; I63-L317 HydrophobicContact CD1-CD2 3.63Å; I63-M320 HydrophobicContact CD1-CE 3.59Å; I63-M320 HydrophobicContact CD1-SD 3.89Å; I63-M320 HydrophobicContact CG1-CE 3.81Å; I63-L322 HydrophobicContact CD1-CD1 4.11Å; I63-L322 HydrophobicContact CG1-CD1 4.26Å
64	E	96.9	Very high	94.7	Very high	116 Å²	116	59 Å²	59	54%	0.542	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.4	166.4	-175.6	176.3	-168.2	0	0	109.4	M33 Q34 T35 V36	M33-E64 HydrophobicContact CG-CB 3.84Å; Q34-E64 PolarHBondContact O-N 3.3Å; T35-E64 CarbonylContact C-O 3.59Å; T35-E64 VanDerWaalsContact CA-O 3.28Å; T35-E64 WeakPolarHBondContact CA-O 3.43Å; V36-E64 PolarHBondContact N-O 3.47Å
65	W	97.7	Very high	93.9	Very high	52 Å²	52	55.6 Å²	55.6	20%	0.197	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.4	-178.2	-61.3	107.4	0	0	0	111.1	V36 L38 V53 F56 I63 L97 M316	V36-W65 HydrophobicContact CB-CE3 3.99Å; V36-W65 HydrophobicContact CB-CZ3 3.97Å; V36-W65 HydrophobicContact CG1-CE3 3.99Å; V36-W65 HydrophobicContact CG1-CZ3 3.58Å; L38-W65 HydrophobicContact CB-CB 4.43Å; L38-W65 HydrophobicContact CB-CE3 3.91Å; L38-W65 HydrophobicContact CD1-CE3 4.36Å; L38-W65 HydrophobicContact CD1-CZ3 4.36Å; V53-W65 HydrophobicContact CG2-CD2 4.34Å; V53-W65 HydrophobicContact CG2-CG 4.32Å; V53-W65 HydrophobicContact CG2-CZ2 4.45Å; F56-W65 HydrophobicContact CB-CZ2 4.39Å; F56-W65 HydrophobicContact CD1-CH2 4.09Å; F56-W65 AromaticContact CD1-CZ2 3.42Å; F56-W65 HydrophobicContact CD1-CZ2 3.42Å; F56-W65 VanDerWaalsContact CD1-CZ2 3.42Å; F56-W65 AromaticContact CE1-CH2 3.98Å; F56-W65 HydrophobicContact CE1-CH2 3.98Å; F56-W65 AromaticContact CE1-CZ2 3.8Å; F56-W65 HydrophobicContact CE1-CZ2 3.8Å; F56-W65 AromaticContact CG-CZ2 3.97Å; F56-W65 HydrophobicContact CG-CZ2 3.97Å; I63-W65 HydrophobicContact CG2-CD2 4.05Å; I63-W65 HydrophobicContact CG2-CE3 4.24Å; I63-W65 HydrophobicContact CG2-CH2 4.48Å; I63-W65 HydrophobicContact CG2-CZ2 4.27Å; I63-W65 HydrophobicContact CG2-CZ3 4.45Å; W65-L97 HydrophobicContact CH2-CB 4.38Å; W65-L97 HydrophobicContact CH2-CD2 3.77Å; W65-L97 HydrophobicContact CZ3-CB 3.97Å; W65-L97 HydrophobicContact CZ3-CD2 4.1Å; W65-M316 HydrophobicContact CH2-CE 3.78Å; W65-M316 HydrophobicContact CZ3-CE 4.17Å
66	E	97.4	Very high	93.1	Very high	33 Å²	33	61.4 Å²	61.4	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	92.8	171.2	-171.6	168.1	168.2	0	0	108.4	T35 V36 T37 L38 R68 S89 K92	T35-E66 HydrophobicContact CG2-CB 3.71Å; V36-E66 PolarHBondContact O-N 3.43Å; T37-E66 CarbonylContact C-O 3.54Å; T37-E66 WeakPolarHBondContact CA-O 3.21Å; L38-E66 PolarHBondContact N-O 3.45Å; E66-R68 PolarHBondContact O-N 2.87Å; E66-R68 IonicContact OE1-CZ 3.36Å; E66-R68 IonicContact OE1-NE 3.62Å; E66-R68 IonicContact OE1-NH2 2.63Å; E66-R68 PolarHBondContact OE1-NH2 3.3Å; E66-S89 VanDerWaalsContact CD-OG 3.28Å; E66-S89 WeakPolarHBondContact CG-OG 3.43Å; E66-S89 PolarHBondContact OE1-OG 3.02Å; E66-K92 IonicContact OE2-NZ 2.84Å; E66-K92 PolarHBondContact OE2-NZ 3.3Å
67	E	97.5	Very high	92.4	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.5	-176.4	-167	179.5	134.8	0	0	111.7	L38 P40	L38-E67 CarbonylContact O-C 3.55Å; L38-E67 WeakPolarHBondContact O-CA 3.16Å; P40-E67 HydrophobicContact CG-CG 3.67Å
68	R	96.6	Very high	91.7	Very high	72 Å²	72	62.2 Å²	62.2	27%	0.272	35%	0.354	S	S	.	.			trans	-136.1	144.8	179.3	-65	-67.7	174.4	-104.8	7.4	111.3	T37 L38 E66 A86	T37-R68 HydrophobicContact CG2-CB 4.12Å; T37-R68 HydrophobicContact CG2-CG 4.04Å; L38-R68 PolarHBondContact O-N 3.07Å; E66-R68 PolarHBondContact O-N 2.87Å; E66-R68 IonicContact OE1-CZ 3.36Å; E66-R68 IonicContact OE1-NE 3.62Å; E66-R68 IonicContact OE1-NH2 2.63Å; E66-R68 PolarHBondContact OE1-NH2 3.3Å; R68-A86 HydrophobicContact CB-CB 4.02Å
69	N	91.4	Very high	91	Very high	98 Å²	98	69.3 Å²	69.3	52%	0.524	38%	0.382	S	S	.	.			trans	-95.9	139.4	172.8	-173.8	-56.9	0	0	0	109.4	T71 P83 A86	N69-T71 WeakPolarHBondContact OD1-CB 3.4Å; N69-T71 PolarHBondContact OD1-N 3.46Å; N69-T71 PolarHBondContact OD1-OG1 2.93Å; N69-P83 WeakPolarHBondContact O-CG 3.45Å; N69-A86 WeakPolarHBondContact O-CB 3.4Å
70	V	91.1	Very high	90.5	Very high	4 Å²	4	73.3 Å²	73.3	2%	0.024	40%	0.397	C	S	.	.			trans	-116.5	16.5	-179.1	-61.5	0	0	0	0	113.7	I39 A72 A86 L101 M112 L116	I39-V70 HydrophobicContact CD1-CG1 3.68Å; I39-V70 HydrophobicContact CG1-CG1 3.92Å; I39-V70 HydrophobicContact CG2-CB 4.33Å; I39-V70 HydrophobicContact CG2-CG1 3.92Å; I39-V70 HydrophobicContact CG2-CG2 3.52Å; V70-A72 PolarHBondContact O-N 2.66Å; V70-A86 HydrophobicContact CG1-CB 3.97Å; V70-L101 HydrophobicContact CG2-CD1 3.64Å; V70-L101 HydrophobicContact CG2-CD2 3.74Å; V70-L101 HydrophobicContact CG2-CG 4.36Å; V70-M112 WeakPolarHBondContact O-CE 3.36Å; V70-L116 HydrophobicContact CG1-CD2 4.22Å; V70-L116 HydrophobicContact CG2-CD1 4.45Å
71	T	87.3	Confident	90.1	Very high	79 Å²	79	67.6 Å²	67.6	49%	0.485	37%	0.371	S	S	.	.			trans	-52.6	131.6	174.9	-62.6	0	0	0	0	110	N69 I73 P83	N69-T71 WeakPolarHBondContact OD1-CB 3.4Å; N69-T71 PolarHBondContact OD1-N 3.46Å; N69-T71 PolarHBondContact OD1-OG1 2.93Å; T71-I73 PolarHBondContact O-N 2.84Å; T71-P83 WeakPolarHBondContact O-CD 3.37Å; T71-P83 VanDerWaalsContact O-CG 3.27Å; T71-P83 WeakPolarHBondContact O-CG 3.32Å
72	A	84.4	Confident	89.9	Confident	14 Å²	14	67 Å²	67	12%	0.116	37%	0.367	C	S	.	.			trans	-57.2	136.2	-173.9	0	0	0	0	0	112	V70 W80 H109 M112	V70-A72 PolarHBondContact O-N 2.66Å; A72-W80 HydrophobicContact CB-CE3 3.72Å; A72-W80 HydrophobicContact CB-CZ3 4.08Å; A72-H109 HydrophobicContact CB-CB 3.67Å; A72-M112 HydrophobicContact CB-CE 4.21Å; A72-M112 HydrophobicContact CB-SD 3.43Å; A72-M112 WeakPolarHBondContact CB-SD 3.34Å
73	I	87.3	Confident	89.7	Confident	62 Å²	62	65.7 Å²	65.7	32%	0.318	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	156.5	170.2	61	165.1	0	0	0	110.3	T71 W80 M81 P83	T71-I73 PolarHBondContact O-N 2.84Å; I73-W80 WeakPolarHBondContact O-CA 3.42Å; I73-M81 HydrophobicContact CD1-CG 4.09Å; I73-M81 HydrophobicContact CG1-CG 3.7Å; I73-M81 WeakPolarHBondContact CG1-O 3.23Å; I73-M81 PolarHBondContact N-O 3Å; I73-M81 PolarHBondContact O-N 3.38Å; I73-P83 HydrophobicContact CG2-CG 4.29Å
74	Q	86.6	Confident	89.5	Confident	131 Å²	131	70.9 Å²	70.9	61%	0.612	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.2	172.1	-69.2	-169.3	-23.7	0	0	109.9	W80	Q74-W80 HydrophobicContact CG-CD2 4.3Å; Q74-W80 HydrophobicContact CG-CE3 3.89Å; Q74-W80 HydrophobicContact CG-CH2 3.87Å; Q74-W80 HydrophobicContact CG-CZ2 4.25Å; Q74-W80 HydrophobicContact CG-CZ3 3.67Å
75	G	81.8	Confident	89.3	Confident	14 Å²	14	69.1 Å²	69.1	14%	0.144	38%	0.376	C	S	.	.			trans	-86.8	-174.2	173.4	0	0	0	0	0	113.4	G77 G78 K79 M81	G75-G77 PolarHBondContact O-N 3.07Å; G75-G78 PolarHBondContact O-N 2.83Å; G75-K79 PolarHBondContact N-O 3.32Å; G75-M81 WeakPolarHBondContact CA-SD 3.29Å
76	P	81.7	Confident	89.2	Confident	121 Å²	121	66.8 Å²	66.8	79%	0.786	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.1	131.3	175.2	-25.6	34.8	0	0	0	112.1	G78	P76-G78 VanDerWaalsContact C-N 3.33Å
77	G	82.8	Confident	89	Confident	84 Å²	84	68.8 Å²	68.8	87%	0.866	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	74.8	17.4	-177.6	0	0	0	0	0	114.7	G75 K79	G75-G77 PolarHBondContact O-N 3.07Å; G77-K79 VanDerWaalsContact C-N 3.26Å; G77-K79 PolarHBondContact O-N 2.83Å
78	G	82	Confident	88.9	Confident	42 Å²	42	69.6 Å²	69.6	43%	0.433	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	75.3	10.8	174.1	0	0	0	0	0	114.6	G75 P76	G75-G78 PolarHBondContact O-N 2.83Å; P76-G78 VanDerWaalsContact C-N 3.33Å
79	K	84.5	Confident	88.9	Confident	163 Å²	163	66.2 Å²	66.2	71%	0.709	37%	0.368	S	S	*	.			trans	-75.1	131.5	176.8	-69.1	-176	-179.8	179.6	0	110.3	G75 G77	G75-K79 PolarHBondContact N-O 3.32Å; G77-K79 VanDerWaalsContact C-N 3.26Å; G77-K79 PolarHBondContact O-N 2.83Å
80	W	86.7	Confident	89.1	Confident	88 Å²	88	61.6 Å²	61.6	33%	0.333	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134	173.8	-64.8	105.2	0	0	0	111.3	A72 I73 Q74 H109 P110	A72-W80 HydrophobicContact CB-CE3 3.72Å; A72-W80 HydrophobicContact CB-CZ3 4.08Å; I73-W80 WeakPolarHBondContact O-CA 3.42Å; Q74-W80 HydrophobicContact CG-CD2 4.3Å; Q74-W80 HydrophobicContact CG-CE3 3.89Å; Q74-W80 HydrophobicContact CG-CH2 3.87Å; Q74-W80 HydrophobicContact CG-CZ2 4.25Å; Q74-W80 HydrophobicContact CG-CZ3 3.67Å; W80-H109 HydrophobicContact CB-CB 4.46Å; W80-H109 HydrophobicContact CD2-CB 3.43Å; W80-H109 VanDerWaalsContact CD2-CB 3.43Å; W80-H109 HydrophobicContact CE3-CB 3.59Å; W80-H109 HydrophobicContact CG-CB 3.85Å; W80-H109 HydrophobicContact CH2-CB 4.21Å; W80-H109 HydrophobicContact CZ2-CB 4.09Å; W80-H109 HydrophobicContact CZ3-CB 3.97Å; W80-P110 HydrophobicContact CB-CG 3.97Å; W80-P110 VanDerWaalsContact CG-CD 3.46Å; W80-P110 HydrophobicContact CG-CG 4.35Å
81	M	89.1	Confident	89.2	Confident	48 Å²	48	64.4 Å²	64.4	24%	0.236	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.4	177.4	63.7	-171.3	-68.9	0	0	111.2	I73 G75 H84 L115	I73-M81 HydrophobicContact CD1-CG 4.09Å; I73-M81 HydrophobicContact CG1-CG 3.7Å; I73-M81 WeakPolarHBondContact CG1-O 3.23Å; I73-M81 PolarHBondContact N-O 3Å; I73-M81 PolarHBondContact O-N 3.38Å; G75-M81 WeakPolarHBondContact CA-SD 3.29Å; M81-H84 VanDerWaalsContact CE-CE1 3.42Å; M81-H84 WeakPolarHBondContact CE-CE1 3.35Å; M81-L115 VanDerWaalsContact C-CD2 3.49Å
82	I	91.6	Very high	89.6	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.015	36%	0.364	C	S	.	.			trans	-76.3	155.2	169.2	63.3	172.7	0	0	0	110.4	K87 M112 L115 L116 T119 F120	I82-K87 HydrophobicContact CD1-CB 3.91Å; I82-K87 HydrophobicContact CD1-CG 4.39Å; I82-K87 HydrophobicContact CG1-CB 4.26Å; I82-M112 HydrophobicContact CG2-CE 3.73Å; I82-L115 HydrophobicContact CG2-CD2 3.99Å; I82-L115 HydrophobicContact CG2-CG 4.09Å; I82-L116 HydrophobicContact CD1-CD2 4.17Å; I82-L116 HydrophobicContact CG2-CD2 3.87Å; I82-L116 HydrophobicContact CG2-CG 4.31Å; I82-T119 HydrophobicContact CD1-CG2 3.78Å; I82-T119 HydrophobicContact CG1-CG2 4.2Å; I82-F120 HydrophobicContact CD1-CE1 4.45Å; I82-F120 HydrophobicContact CD1-CE2 3.62Å; I82-F120 HydrophobicContact CD1-CZ 3.46Å; I82-F120 VanDerWaalsContact CD1-CZ 3.46Å
83	P	92.3	Very high	90.2	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.091	36%	0.364	C	S	.	.			trans	-53.3	142	172.5	-28.3	38.4	0	0	0	113.2	N69 T71 I73 D85 A86 K87	N69-P83 WeakPolarHBondContact O-CG 3.45Å; T71-P83 WeakPolarHBondContact O-CD 3.37Å; T71-P83 VanDerWaalsContact O-CG 3.27Å; T71-P83 WeakPolarHBondContact O-CG 3.32Å; I73-P83 HydrophobicContact CG2-CG 4.29Å; P83-D85 VanDerWaalsContact C-N 3.34Å; P83-D85 WeakPolarHBondContact CB-OD1 3.49Å; P83-D85 PolarHBondContact O-N 3.08Å; P83-A86 HydrophobicContact CB-CB 4.29Å; P83-A86 PolarHBondContact O-N 3.5Å; P83-K87 PolarHBondContact O-N 2.85Å; P83-K87 VanDerWaalsContact O-N 3.07Å
84	H	92.3	Very high	90.6	Very high	123 Å²	123	68.3 Å²	68.3	57%	0.569	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-38.7	-175.7	-78.2	-76.5	0	0	0	112.8	M81 K87 E88	M81-H84 VanDerWaalsContact CE-CE1 3.42Å; M81-H84 WeakPolarHBondContact CE-CE1 3.35Å; H84-K87 PolarHBondContact O-N 2.9Å; H84-E88 WeakPolarHBondContact O-CB 3.49Å; H84-E88 PolarHBondContact O-N 2.85Å
85	D	94.1	Very high	91.1	Very high	80 Å²	80	62.9 Å²	62.9	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176.6	63.2	-38.8	0	0	0	112.2	P83 E88 S89	P83-D85 VanDerWaalsContact C-N 3.34Å; P83-D85 WeakPolarHBondContact CB-OD1 3.49Å; P83-D85 PolarHBondContact O-N 3.08Å; D85-E88 PolarHBondContact O-N 2.81Å; D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 2.91Å
86	A	93.8	Very high	91.9	Very high	2 Å²	2	62.2 Å²	62.2	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-39.6	174	0	0	0	0	0	111.8	R68 N69 V70 P83 M90	R68-A86 HydrophobicContact CB-CB 4.02Å; N69-A86 WeakPolarHBondContact O-CB 3.4Å; V70-A86 HydrophobicContact CG1-CB 3.97Å; P83-A86 HydrophobicContact CB-CB 4.29Å; P83-A86 PolarHBondContact O-N 3.5Å; A86-M90 PolarHBondContact O-N 3.38Å; A86-M90 VanDerWaalsContact O-N 3.07Å
87	K	94.4	Very high	92.7	Very high	75 Å²	75	56.5 Å²	56.5	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-47.7	174	-171.9	-177.4	177.3	-65.3	0	111.6	I82 P83 H84 S89 M90 D91 T119 F120	I82-K87 HydrophobicContact CD1-CB 3.91Å; I82-K87 HydrophobicContact CD1-CG 4.39Å; I82-K87 HydrophobicContact CG1-CB 4.26Å; P83-K87 PolarHBondContact O-N 2.85Å; P83-K87 VanDerWaalsContact O-N 3.07Å; H84-K87 PolarHBondContact O-N 2.9Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.43Å; K87-M90 PolarHBondContact O-N 3.38Å; K87-D91 IonicContact NZ-OD2 3.95Å; K87-D91 PolarHBondContact NZ-OD2 3.27Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 PolarHBondContact O-N 3.28Å; K87-T119 HydrophobicContact CD-CG2 4.28Å; K87-T119 HydrophobicContact CG-CG2 4.43Å; K87-F120 HydrophobicContact CG-CE1 4.08Å; K87-F120 HydrophobicContact CG-CZ 4.38Å
88	E	95.4	Very high	93.4	Very high	144 Å²	144	52.7 Å²	52.7	67%	0.673	26%	0.255	S	S	*	.	H	α-helix	trans	-61.6	-43.4	179.4	-173.7	176.1	-176.4	0	0	111.7	H84 D85 D91 K92	H84-E88 WeakPolarHBondContact O-CB 3.49Å; H84-E88 PolarHBondContact O-N 2.85Å; D85-E88 PolarHBondContact O-N 2.81Å; E88-D91 PolarHBondContact O-N 2.95Å; E88-K92 WeakPolarHBondContact O-CB 3.35Å; E88-K92 PolarHBondContact O-N 2.97Å
89	S	96.3	Very high	94	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-52.5	173.8	-171.3	0	0	0	0	111.3	T37 E66 D85 K87 D91 K92 T93	T37-S89 PolarHBondContact OG1-OG 3.39Å; E66-S89 VanDerWaalsContact CD-OG 3.28Å; E66-S89 WeakPolarHBondContact CG-OG 3.43Å; E66-S89 PolarHBondContact OE1-OG 3.02Å; D85-S89 WeakPolarHBondContact O-CB 3.49Å; D85-S89 PolarHBondContact O-N 2.91Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.43Å; S89-D91 VanDerWaalsContact C-N 3.35Å; S89-D91 PolarHBondContact O-N 3.22Å; S89-K92 PolarHBondContact O-N 3.45Å; S89-K92 VanDerWaalsContact O-N 3.14Å; S89-T93 WeakPolarHBondContact O-CG2 3.46Å; S89-T93 PolarHBondContact O-N 2.78Å; S89-T93 PolarHBondContact O-OG1 3.06Å
90	M	95.4	Very high	94.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-35.8	178	-79.3	-61.7	-53.1	0	0	113.1	T37 A86 K87 K92 K94 F120 V285 I287	T37-M90 VanDerWaalsContact CB-SD 3.59Å; T37-M90 HydrophobicContact CG2-CG 4.15Å; T37-M90 HydrophobicContact CG2-SD 3.96Å; A86-M90 PolarHBondContact O-N 3.38Å; A86-M90 VanDerWaalsContact O-N 3.07Å; K87-M90 PolarHBondContact O-N 3.38Å; M90-K92 PolarHBondContact O-N 3.45Å; M90-K94 WeakPolarHBondContact O-CA 3.45Å; M90-K94 PolarHBondContact O-N 2.98Å; M90-F120 HydrophobicContact CB-CD1 4.27Å; M90-F120 HydrophobicContact CB-CE1 3.46Å; M90-F120 VanDerWaalsContact CB-CE1 3.46Å; M90-F120 HydrophobicContact CB-CE2 4.1Å; M90-F120 HydrophobicContact CB-CZ 3.36Å; M90-F120 HydrophobicContact CG-CE1 4.24Å; M90-F120 HydrophobicContact CG-CE2 3.96Å; M90-F120 HydrophobicContact CG-CZ 3.66Å; M90-V285 HydrophobicContact CE-CG1 3.9Å; M90-I287 HydrophobicContact CE-CD1 3.93Å; M90-I287 HydrophobicContact CE-CG1 3.57Å; M90-I287 HydrophobicContact SD-CD1 4.44Å; M90-I287 HydrophobicContact SD-CG1 4.38Å
91	D	94.2	Very high	94.7	Very high	63 Å²	63	39.8 Å²	39.8	34%	0.337	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-30.8	175.5	-79.2	-27.2	0	0	0	111.7	K87 E88 S89 K94	K87-D91 IonicContact NZ-OD2 3.95Å; K87-D91 PolarHBondContact NZ-OD2 3.27Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 PolarHBondContact O-N 3.28Å; E88-D91 PolarHBondContact O-N 2.95Å; S89-D91 VanDerWaalsContact C-N 3.35Å; S89-D91 PolarHBondContact O-N 3.22Å; D91-K94 WeakPolarHBondContact O-CD 3.37Å; D91-K94 WeakPolarHBondContact O-CE 3.27Å; D91-K94 PolarHBondContact O-NZ 3.48Å
92	K	95.1	Very high	94.6	Very high	142 Å²	142	44.1 Å²	44.1	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-82.3	-51.6	175.8	178.8	-171.6	166.4	-154.2	0	112.5	E66 E88 S89 M90	E66-K92 IonicContact OE2-NZ 2.84Å; E66-K92 PolarHBondContact OE2-NZ 3.3Å; E88-K92 WeakPolarHBondContact O-CB 3.35Å; E88-K92 PolarHBondContact O-N 2.97Å; S89-K92 PolarHBondContact O-N 3.45Å; S89-K92 VanDerWaalsContact O-N 3.14Å; M90-K92 PolarHBondContact O-N 3.45Å
93	T	96.1	Very high	93.9	Very high	19 Å²	19	46.5 Å²	46.5	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-77.8	-29.2	-174.2	67.7	0	0	0	0	112.6	T35 T37 S89 I95	T35-T93 HydrophobicContact CG2-CG2 3.95Å; T35-T93 WeakPolarHBondContact O-CB 3.42Å; T35-T93 WeakPolarHBondContact O-CG2 3.5Å; T37-T93 PolarHBondContact OG1-OG1 2.85Å; S89-T93 WeakPolarHBondContact O-CG2 3.46Å; S89-T93 PolarHBondContact O-N 2.78Å; S89-T93 PolarHBondContact O-OG1 3.06Å; T93-I95 PolarHBondContact O-N 3.21Å; T93-I95 PolarHBondContact OG1-O 3.3Å
94	K	96.6	Very high	93	Very high	75 Å²	75	48.1 Å²	48.1	33%	0.326	23%	0.233	S	C	.	.			trans	61.1	-26.5	-171.2	-54.7	-58.9	-172.5	-164.1	0	115	M90 D91 V285 A286	M90-K94 WeakPolarHBondContact O-CA 3.45Å; M90-K94 PolarHBondContact O-N 2.98Å; D91-K94 WeakPolarHBondContact O-CD 3.37Å; D91-K94 WeakPolarHBondContact O-CE 3.27Å; D91-K94 PolarHBondContact O-NZ 3.48Å; K94-V285 HydrophobicContact CD-CG2 3.87Å; K94-V285 CarbonylContact O-C 3.59Å; K94-V285 VanDerWaalsContact O-CA 3.23Å; K94-V285 WeakPolarHBondContact O-CA 3.27Å; K94-A286 PolarHBondContact O-N 2.92Å
95	I	97.8	Very high	91.8	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.5	179.1	-51.6	-57.7	0	0	0	109.5	V36 T37 T93 A286 F288 M316 M320	V36-I95 HydrophobicContact CG1-CG2 4.15Å; V36-I95 HydrophobicContact CG2-CB 4.47Å; V36-I95 HydrophobicContact CG2-CG2 4.36Å; T37-I95 PolarHBondContact N-O 2.85Å; T37-I95 VanDerWaalsContact N-O 3.08Å; T93-I95 PolarHBondContact O-N 3.21Å; T93-I95 PolarHBondContact OG1-O 3.3Å; I95-A286 CarbonylContact C-O 3.53Å; I95-A286 WeakPolarHBondContact CA-O 3.5Å; I95-A286 HydrophobicContact CD1-CB 4.06Å; I95-F288 HydrophobicContact CG2-CD2 4.47Å; I95-F288 HydrophobicContact CG2-CE2 4.28Å; I95-M316 HydrophobicContact CG2-CG 3.46Å; I95-M316 VanDerWaalsContact CG2-CG 3.46Å; I95-M316 HydrophobicContact CG2-SD 3.68Å; I95-M320 HydrophobicContact CG1-CG 4.34Å; I95-M320 HydrophobicContact CG2-CG 4.4Å; I95-M320 HydrophobicContact CG2-SD 4.11Å
96	G	97.6	Very high	90.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.5	173	0	0	0	0	0	113.3	T37 A286 I287 F288	T37-G96 CarbonylContact O-C 3.58Å; T37-G96 WeakPolarHBondContact O-CA 3.34Å; G96-A286 PolarHBondContact N-O 3.45Å; G96-I287 WeakPolarHBondContact O-CA 3.28Å; G96-F288 PolarHBondContact O-N 3.11Å
97	L	98.4	Very high	88.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.9	166.9	-177.3	68.2	0	0	0	108.6	T37 L38 I39 V52 W65 F288 L309 A313 M316	T37-L97 PolarHBondContact O-N 3.22Å; L38-L97 HydrophobicContact CD1-CB 4.21Å; L38-L97 HydrophobicContact CD1-CD2 4.15Å; L38-L97 HydrophobicContact CD1-CG 4.34Å; I39-L97 PolarHBondContact N-O 3.44Å; V52-L97 HydrophobicContact CG1-CD2 3.81Å; W65-L97 HydrophobicContact CH2-CB 4.38Å; W65-L97 HydrophobicContact CH2-CD2 3.77Å; W65-L97 HydrophobicContact CZ3-CB 3.97Å; W65-L97 HydrophobicContact CZ3-CD2 4.1Å; L97-F288 HydrophobicContact CD1-CB 4.08Å; L97-L309 HydrophobicContact CD1-CD1 3.76Å; L97-L309 HydrophobicContact CD1-CG 4.41Å; L97-L309 HydrophobicContact CG-CD1 4.15Å; L97-A313 HydrophobicContact CD1-CB 3.94Å; L97-A313 HydrophobicContact CD2-CB 3.89Å; L97-M316 HydrophobicContact CB-SD 4.01Å
98	K	96.9	Very high	87.2	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.8	-169.9	169.8	-166.6	164.6	-65.2	0	111.5	I39 L101 N113 L116 I287 F288 E289 L309	I39-K98 HydrophobicContact CB-CB 4.13Å; I39-K98 HydrophobicContact CB-CG 4.19Å; I39-K98 HydrophobicContact CD1-CB 4.37Å; I39-K98 HydrophobicContact CG2-CG 4.22Å; I39-K98 CarbonylContact O-C 3.5Å; I39-K98 WeakPolarHBondContact O-CA 3.38Å; K98-L101 HydrophobicContact CD-CD1 4.28Å; K98-L101 VanDerWaalsContact CE-CG 3.42Å; K98-N113 WeakPolarHBondContact CE-OD1 3.18Å; K98-N113 PolarHBondContact NZ-OD1 3.21Å; K98-L116 HydrophobicContact CD-CD1 3.82Å; K98-I287 HydrophobicContact CB-CG2 3.75Å; K98-I287 HydrophobicContact CD-CG2 4.12Å; K98-F288 PolarHBondContact N-O 3.45Å; K98-E289 HydrophobicContact CB-CB 4.32Å; K98-E289 HydrophobicContact CD-CB 4.46Å; K98-E289 WeakPolarHBondContact CE-OE2 3.03Å; K98-E289 IonicContact NZ-OE2 3.26Å; K98-E289 PolarHBondContact NZ-OE2 2.92Å; K98-E289 WeakPolarHBondContact O-CA 3.31Å; K98-E289 WeakPolarHBondContact O-CB 3.33Å; K98-L309 WeakPolarHBondContact O-CD1 3.31Å
99	G	95.9	Very high	86.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.291	C	S	.	.			trans	-75.5	175.7	166.6	0	0	0	0	0	113.7	I39	I39-G99 PolarHBondContact O-N 3.42Å
100	P	93.7	Very high	85.1	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.026	31%	0.309	C	S	.	.			trans	-60.5	143.3	178.1	26.1	-35.7	0	0	0	111.8	G41 D42 I44 G293 T294	G41-P100 CarbonylContact C-O 3.57Å; G41-P100 WeakPolarHBondContact CA-O 3.5Å; D42-P100 PolarHBondContact N-O 3.4Å; I44-P100 HydrophobicContact CG1-CG 4.06Å; P100-G293 VanDerWaalsContact CB-C 3.49Å; P100-G293 VanDerWaalsContact CB-O 3.32Å; P100-G293 WeakPolarHBondContact CB-O 3.39Å; P100-T294 HydrophobicContact CB-CG2 4.01Å
101	L	91.7	Very high	84.6	Confident	17 Å²	17	52 Å²	52	9%	0.089	32%	0.321	C	S	.	.			trans	-116	136.4	175.9	-65.3	178.5	0	0	0	110.7	I39 D42 V70 K98 T103 M112 L116	I39-L101 HydrophobicContact CG2-CD2 4.43Å; D42-L101 WeakPolarHBondContact OD2-CA 3.45Å; V70-L101 HydrophobicContact CG2-CD1 3.64Å; V70-L101 HydrophobicContact CG2-CD2 3.74Å; V70-L101 HydrophobicContact CG2-CG 4.36Å; K98-L101 HydrophobicContact CD-CD1 4.28Å; K98-L101 VanDerWaalsContact CE-CG 3.42Å; L101-T103 PolarHBondContact O-N 3.13Å; L101-M112 HydrophobicContact CB-CB 4.46Å; L101-M112 HydrophobicContact CD1-CB 3.67Å; L101-L116 HydrophobicContact CD1-CD1 3.8Å
102	K	85.9	Confident	84.2	Confident	140 Å²	140	49.2 Å²	49.2	61%	0.609	31%	0.306	S	S	*	.			trans	-73.1	128.2	175.2	-171.6	174.5	179	-178.4	0	109.3	D42 T294	D42-K102 HydrophobicContact CB-CB 4.03Å; D42-K102 PolarHBondContact OD2-N 3.07Å; K102-T294 HydrophobicContact CB-CG2 4.1Å
103	T	76.9	Confident	83.7	Confident	53 Å²	53	43.9 Å²	43.9	33%	0.325	29%	0.285	S	S	.	.			trans	-109.1	124.8	169.1	-60.9	0	0	0	0	108.5	L101 S111	L101-T103 PolarHBondContact O-N 3.13Å; T103-S111 PolarHBondContact OG1-OG 2.84Å
104	P	74.1	Confident	83.2	Confident	47 Å²	47	45.3 Å²	45.3	31%	0.305	29%	0.291	S	S	.	.			trans	-68.2	141.1	174.7	28.9	-33	0	0	0	110.5	A107 H109	P104-A107 WeakPolarHBondContact CB-O 3.37Å; P104-H109 WeakPolarHBondContact CD-CE1 3.3Å
105	V	68.2	Low	82.7	Confident	146 Å²	146	43 Å²	43	89%	0.885	28%	0.282	S	S	*	.	S	Bend	trans	-96.3	127.8	-178.1	-177.9	0	0	0	0	109.4	A107	V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.34Å; V105-A107 VanDerWaalsContact O-N 3.13Å
106	G	57.3	Low	82.4	Confident	87 Å²	87	42.3 Å²	42.3	90%	0.897	28%	0.279	S	S	*	.	S	Bend	trans	79.6	-19.1	169.2	0	0	0	0	0	117
107	A	60.1	Low	82.1	Confident	79 Å²	79	43.9 Å²	43.9	65%	0.653	29%	0.285	S	S	*	.	S	Bend	trans	-156.1	149.5	173.8	0	0	0	0	0	111.4	P104 V105	P104-A107 WeakPolarHBondContact CB-O 3.37Å; V105-A107 VanDerWaalsContact C-N 3.26Å; V105-A107 PolarHBondContact O-N 3.34Å; V105-A107 VanDerWaalsContact O-N 3.13Å
108	G	68.4	Low	81.6	Confident	59 Å²	59	49 Å²	49	61%	0.608	31%	0.307	S	S	*	.	S	Bend	trans	115.9	-152.6	176.4	0	0	0	0	0	113.9
109	H	72.9	Confident	81.3	Confident	41 Å²	41	51.3 Å²	51.3	19%	0.19	32%	0.321	C	S	.	.	S	Bend	trans	-71.1	151.8	177.2	65.5	72	0	0	0	111.2	A72 W80 P104	A72-H109 HydrophobicContact CB-CB 3.67Å; W80-H109 HydrophobicContact CB-CB 4.46Å; W80-H109 HydrophobicContact CD2-CB 3.43Å; W80-H109 VanDerWaalsContact CD2-CB 3.43Å; W80-H109 HydrophobicContact CE3-CB 3.59Å; W80-H109 HydrophobicContact CG-CB 3.85Å; W80-H109 HydrophobicContact CH2-CB 4.21Å; W80-H109 HydrophobicContact CZ2-CB 4.09Å; W80-H109 HydrophobicContact CZ3-CB 3.97Å; P104-H109 WeakPolarHBondContact CD-CE1 3.3Å
110	P	74.8	Confident	81.1	Confident	60 Å²	60	51.9 Å²	51.9	39%	0.39	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-60.7	166	171.6	28.5	-36.1	0	0	0	110.9	W80 M112	W80-P110 HydrophobicContact CB-CG 3.97Å; W80-P110 VanDerWaalsContact CG-CD 3.46Å; W80-P110 HydrophobicContact CG-CG 4.35Å; P110-M112 PolarHBondContact O-N 3.07Å; P110-M112 VanDerWaalsContact O-N 3.17Å
111	S	82.9	Confident	81.1	Confident	36 Å²	36	54.6 Å²	54.6	25%	0.252	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-52.6	125.5	177.9	-177.1	0	0	0	0	111.7	T103 N113 L114 L115	T103-S111 PolarHBondContact OG1-OG 2.84Å; S111-N113 PolarHBondContact O-N 3.27Å; S111-N113 PolarHBondContact OG-N 3.13Å; S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 2.93Å; S111-L114 VanDerWaalsContact O-N 3.12Å; S111-L115 PolarHBondContact O-N 3.47Å
112	M	86	Confident	81.3	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-31.8	178.3	-67.4	-48.1	-55.6	0	0	112.4	V70 A72 I82 L101 P110 L114 L115 L116	V70-M112 WeakPolarHBondContact O-CE 3.36Å; A72-M112 HydrophobicContact CB-CE 4.21Å; A72-M112 HydrophobicContact CB-SD 3.43Å; A72-M112 WeakPolarHBondContact CB-SD 3.34Å; I82-M112 HydrophobicContact CG2-CE 3.73Å; L101-M112 HydrophobicContact CB-CB 4.46Å; L101-M112 HydrophobicContact CD1-CB 3.67Å; P110-M112 PolarHBondContact O-N 3.07Å; P110-M112 VanDerWaalsContact O-N 3.17Å; M112-L114 VanDerWaalsContact C-N 3.32Å; M112-L114 PolarHBondContact O-N 3.35Å; M112-L115 HydrophobicContact CE-CB 4.31Å; M112-L115 HydrophobicContact CE-CD2 3.56Å; M112-L115 HydrophobicContact CE-CG 4.44Å; M112-L115 PolarHBondContact O-N 3.26Å; M112-L115 HydrophobicContact SD-CD2 3.97Å; M112-L116 WeakPolarHBondContact O-CB 3.21Å; M112-L116 WeakPolarHBondContact O-CG 3.33Å; M112-L116 PolarHBondContact O-N 2.94Å
113	N	86.3	Confident	81.9	Confident	31 Å²	31	48.7 Å²	48.7	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-43.8	173.6	-59.2	-53.3	0	0	0	110.5	K98 S111 R117	K98-N113 WeakPolarHBondContact CE-OD1 3.18Å; K98-N113 PolarHBondContact NZ-OD1 3.21Å; S111-N113 PolarHBondContact O-N 3.27Å; S111-N113 PolarHBondContact OG-N 3.13Å; N113-R117 WeakPolarHBondContact O-CD 3.33Å; N113-R117 WeakPolarHBondContact O-CG 3.12Å; N113-R117 PolarHBondContact O-N 3.5Å
114	L	83.7	Confident	82.9	Confident	48 Å²	48	46.1 Å²	46.1	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-41	175.7	-175.3	64	0	0	0	111.6	S111 M112 R117 K118	S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 2.93Å; S111-L114 VanDerWaalsContact O-N 3.12Å; M112-L114 VanDerWaalsContact C-N 3.32Å; M112-L114 PolarHBondContact O-N 3.35Å; L114-R117 PolarHBondContact O-N 3.03Å; L114-K118 HydrophobicContact CD1-CD 4.46Å; L114-K118 HydrophobicContact CD1-CG 4.48Å; L114-K118 HydrophobicContact CG-CD 4.33Å; L114-K118 WeakPolarHBondContact O-CG 3.33Å; L114-K118 PolarHBondContact O-N 3.23Å
115	L	87.7	Confident	84	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-43.1	-179.9	-167.9	59.8	0	0	0	111.9	M81 I82 S111 M112 K118 T119	M81-L115 VanDerWaalsContact C-CD2 3.49Å; I82-L115 HydrophobicContact CG2-CD2 3.99Å; I82-L115 HydrophobicContact CG2-CG 4.09Å; S111-L115 PolarHBondContact O-N 3.47Å; M112-L115 HydrophobicContact CE-CB 4.31Å; M112-L115 HydrophobicContact CE-CD2 3.56Å; M112-L115 HydrophobicContact CE-CG 4.44Å; M112-L115 PolarHBondContact O-N 3.26Å; M112-L115 HydrophobicContact SD-CD2 3.97Å; L115-K118 PolarHBondContact O-N 3.19Å; L115-T119 VanDerWaalsContact O-CB 3.26Å; L115-T119 WeakPolarHBondContact O-CB 3.26Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.44Å
116	L	91.3	Very high	85.4	Confident	5 Å²	5	37 Å²	37	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-47.8	174.1	-73.1	168.1	0	0	0	111.3	V70 I82 K98 L101 M112 K118 T119 F120	V70-L116 HydrophobicContact CG1-CD2 4.22Å; V70-L116 HydrophobicContact CG2-CD1 4.45Å; I82-L116 HydrophobicContact CD1-CD2 4.17Å; I82-L116 HydrophobicContact CG2-CD2 3.87Å; I82-L116 HydrophobicContact CG2-CG 4.31Å; K98-L116 HydrophobicContact CD-CD1 3.82Å; L101-L116 HydrophobicContact CD1-CD1 3.8Å; M112-L116 WeakPolarHBondContact O-CB 3.21Å; M112-L116 WeakPolarHBondContact O-CG 3.33Å; M112-L116 PolarHBondContact O-N 2.94Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3.34Å; L116-T119 PolarHBondContact O-N 2.95Å; L116-F120 HydrophobicContact CD2-CD2 4.25Å; L116-F120 HydrophobicContact CD2-CE2 3.69Å; L116-F120 VanDerWaalsContact O-CD2 3.3Å; L116-F120 WeakPolarHBondContact O-CD2 3.14Å; L116-F120 PolarHBondContact O-N 3.48Å
117	R	90.6	Very high	87.3	Confident	32 Å²	32	33.6 Å²	33.6	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-43.3	179.2	-70.5	163.6	-173.9	174.9	11.1	112.3	N113 L114 D121 L122 N150 N279 E289	N113-R117 WeakPolarHBondContact O-CD 3.33Å; N113-R117 WeakPolarHBondContact O-CG 3.12Å; N113-R117 PolarHBondContact O-N 3.5Å; L114-R117 PolarHBondContact O-N 3.03Å; R117-D121 CarbonylContact O-C 3.51Å; R117-D121 WeakPolarHBondContact O-CA 3.37Å; R117-D121 PolarHBondContact O-N 3.05Å; R117-L122 HydrophobicContact CB-CB 4.45Å; R117-L122 HydrophobicContact CG-CB 4.39Å; R117-L122 HydrophobicContact CG-CD1 4.47Å; R117-L122 PolarHBondContact O-N 3.43Å; R117-N150 VanDerWaalsContact CD-ND2 3.3Å; R117-N150 WeakPolarHBondContact CD-ND2 3.38Å; R117-N150 WeakPolarHBondContact CD-OD1 3.41Å; R117-N150 WeakPolarHBondContact CG-ND2 3.48Å; R117-N150 PolarHBondContact NH1-OD1 3.1Å; R117-N279 PolarHBondContact NE-OD1 2.64Å; R117-E289 IonicContact NH2-OE1 2.69Å; R117-E289 PolarHBondContact NH2-OE1 2.93Å
118	K	88	Confident	88.9	Confident	109 Å²	109	30.5 Å²	30.5	47%	0.474	17%	0.172	S	C	.	.	H	α-helix	trans	-70.1	-43.1	176.5	-72.3	-175.7	177	-177.9	0	112.5	L114 L115 L116 F120 D121	L114-K118 HydrophobicContact CD1-CD 4.46Å; L114-K118 HydrophobicContact CD1-CG 4.48Å; L114-K118 HydrophobicContact CG-CD 4.33Å; L114-K118 WeakPolarHBondContact O-CG 3.33Å; L114-K118 PolarHBondContact O-N 3.23Å; L115-K118 PolarHBondContact O-N 3.19Å; L116-K118 VanDerWaalsContact C-N 3.34Å; L116-K118 PolarHBondContact O-N 3.34Å; K118-F120 VanDerWaalsContact C-N 3.26Å; K118-F120 PolarHBondContact O-N 2.95Å; K118-D121 PolarHBondContact O-N 3.19Å
119	T	90.4	Very high	90.1	Very high	52 Å²	52	27.8 Å²	27.8	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-63	-35.7	-177.2	-58.6	0	0	0	0	111.9	I82 K87 L115 L116	I82-T119 HydrophobicContact CD1-CG2 3.78Å; I82-T119 HydrophobicContact CG1-CG2 4.2Å; K87-T119 HydrophobicContact CD-CG2 4.28Å; K87-T119 HydrophobicContact CG-CG2 4.43Å; L115-T119 VanDerWaalsContact O-CB 3.26Å; L115-T119 WeakPolarHBondContact O-CB 3.26Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.44Å; L116-T119 PolarHBondContact O-N 2.95Å
120	F	93.1	Very high	91.1	Very high	13 Å²	13	29 Å²	29	6%	0.057	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	11	-176.6	-60.6	-59.3	0	0	0	114	I82 K87 M90 L116 K118 L122 V285 I287	I82-F120 HydrophobicContact CD1-CE1 4.45Å; I82-F120 HydrophobicContact CD1-CE2 3.62Å; I82-F120 HydrophobicContact CD1-CZ 3.46Å; I82-F120 VanDerWaalsContact CD1-CZ 3.46Å; K87-F120 HydrophobicContact CG-CE1 4.08Å; K87-F120 HydrophobicContact CG-CZ 4.38Å; M90-F120 HydrophobicContact CB-CD1 4.27Å; M90-F120 HydrophobicContact CB-CE1 3.46Å; M90-F120 VanDerWaalsContact CB-CE1 3.46Å; M90-F120 HydrophobicContact CB-CE2 4.1Å; M90-F120 HydrophobicContact CB-CZ 3.36Å; M90-F120 HydrophobicContact CG-CE1 4.24Å; M90-F120 HydrophobicContact CG-CE2 3.96Å; M90-F120 HydrophobicContact CG-CZ 3.66Å; L116-F120 HydrophobicContact CD2-CD2 4.25Å; L116-F120 HydrophobicContact CD2-CE2 3.69Å; L116-F120 VanDerWaalsContact O-CD2 3.3Å; L116-F120 WeakPolarHBondContact O-CD2 3.14Å; L116-F120 PolarHBondContact O-N 3.48Å; K118-F120 VanDerWaalsContact C-N 3.26Å; K118-F120 PolarHBondContact O-N 2.95Å; F120-L122 VanDerWaalsContact C-N 3.26Å; F120-L122 HydrophobicContact CB-CD1 4.25Å; F120-L122 HydrophobicContact CB-CD2 3.9Å; F120-L122 HydrophobicContact CB-CG 3.8Å; F120-L122 PolarHBondContact O-N 3.12Å; F120-V285 HydrophobicContact CB-CG1 4.02Å; F120-V285 HydrophobicContact CG-CG1 4.42Å; F120-I287 HydrophobicContact CD2-CD1 3.9Å; F120-I287 HydrophobicContact CE2-CD1 4.25Å
121	D	93.6	Very high	91.9	Very high	60 Å²	60	27.9 Å²	27.9	32%	0.321	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	48.4	-176.9	-171.1	35.5	0	0	0	113.3	R117 K118 Y123 R180 G281	R117-D121 CarbonylContact O-C 3.51Å; R117-D121 WeakPolarHBondContact O-CA 3.37Å; R117-D121 PolarHBondContact O-N 3.05Å; K118-D121 PolarHBondContact O-N 3.19Å; D121-Y123 VanDerWaalsContact C-N 3.32Å; D121-Y123 PolarHBondContact O-N 3.41Å; D121-R180 IonicContact OD1-CZ 2.64Å; D121-R180 IonicContact OD1-NH1 2.74Å; D121-R180 PolarHBondContact OD1-NH1 3.34Å; D121-R180 IonicContact OD1-NH2 2.82Å; D121-R180 PolarHBondContact OD1-NH2 2.99Å; D121-R180 IonicContact OD2-CZ 2.65Å; D121-R180 IonicContact OD2-NH1 2.95Å; D121-R180 PolarHBondContact OD2-NH1 3.46Å; D121-G281 WeakPolarHBondContact O-CA 3.36Å
122	L	95.9	Very high	92	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.			trans	-80.3	78.5	-178.2	-53.2	174.2	0	0	0	110.6	R117 F120 N150 N279 I280 V285 I287	R117-L122 HydrophobicContact CB-CB 4.45Å; R117-L122 HydrophobicContact CG-CB 4.39Å; R117-L122 HydrophobicContact CG-CD1 4.47Å; R117-L122 PolarHBondContact O-N 3.43Å; F120-L122 VanDerWaalsContact C-N 3.26Å; F120-L122 HydrophobicContact CB-CD1 4.25Å; F120-L122 HydrophobicContact CB-CD2 3.9Å; F120-L122 HydrophobicContact CB-CG 3.8Å; F120-L122 PolarHBondContact O-N 3.12Å; L122-N150 WeakPolarHBondContact O-CB 3.49Å; L122-N150 PolarHBondContact O-ND2 3.01Å; L122-N279 HydrophobicContact CB-CB 3.85Å; L122-N279 HydrophobicContact CD1-CB 3.85Å; L122-N279 HydrophobicContact CG-CB 4.37Å; L122-I280 CarbonylContact C-O 2.96Å; L122-V285 HydrophobicContact CD2-CB 4.35Å; L122-V285 HydrophobicContact CD2-CG1 3.92Å; L122-I287 HydrophobicContact CD1-CB 3.95Å; L122-I287 HydrophobicContact CD1-CD1 3.65Å; L122-I287 HydrophobicContact CD1-CG1 3.74Å
123	Y	96.8	Very high	91.7	Very high	31 Å²	31	32.1 Å²	32.1	12%	0.122	16%	0.16	C	C	.	.			trans	-81.1	-20.9	-165.1	73.1	-94.4	0	0	0	116.9	D121 N150 R180 I181 Y184 I280	D121-Y123 VanDerWaalsContact C-N 3.32Å; D121-Y123 PolarHBondContact O-N 3.41Å; Y123-N150 WeakPolarHBondContact O-CB 3.39Å; Y123-N150 PolarHBondContact O-N 3.04Å; Y123-R180 VanDerWaalsContact CB-NH2 3.25Å; Y123-R180 HydrophobicContact CD2-CB 4.42Å; Y123-R180 HydrophobicContact CD2-CG 3.68Å; Y123-R180 HydrophobicContact CE2-CB 4.1Å; Y123-R180 HydrophobicContact CE2-CG 3.87Å; Y123-R180 HydrophobicContact CG-CG 4.19Å; Y123-I181 HydrophobicContact CD2-CD1 4.27Å; Y123-I181 HydrophobicContact CE2-CD1 4.49Å; Y123-Y184 HydrophobicContact CE2-CG 4.36Å; Y123-I280 PolarHBondContact N-O 3.2Å
124	A	97.9	Very high	91.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.9	179	0	0	0	0	0	110	I181 Y184 N279 I280	A124-I181 HydrophobicContact CB-CD1 3.46Å; A124-I181 VanDerWaalsContact CB-CD1 3.46Å; A124-Y184 HydrophobicContact CB-CD1 3.73Å; A124-Y184 HydrophobicContact CB-CE1 3.91Å; A124-Y184 HydrophobicContact CB-CG 4.12Å; A124-N279 CarbonylContact O-C 3.52Å; A124-N279 WeakPolarHBondContact O-CA 3.13Å; A124-I280 HydrophobicContact CB-CB 4.34Å; A124-I280 PolarHBondContact N-O 3.06Å; A124-I280 PolarHBondContact O-N 3.45Å
125	N	97.8	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115	168.1	-171.4	-82.2	0	0	0	108.7	R127 I147 R148 N150 N279	N125-R127 WeakPolarHBondContact OD1-CD 3.25Å; N125-R127 WeakPolarHBondContact OD1-CG 3.42Å; N125-R127 PolarHBondContact OD1-NE 2.95Å; N125-I147 WeakPolarHBondContact O-CA 3.46Å; N125-R148 HydrophobicContact CB-CB 4.13Å; N125-R148 HydrophobicContact CB-CG 4.34Å; N125-R148 PolarHBondContact N-O 3.35Å; N125-R148 PolarHBondContact O-N 2.82Å; N125-N150 HydrophobicContact CB-CB 4.14Å; N125-N279 PolarHBondContact ND2-OD1 2.87Å
126	V	98	Very high	91.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.9	-178.3	-173.9	0	0	0	0	108.8	V145 T146 Y184 Y188 S277 G278 I280 M315	V126-V145 HydrophobicContact CG1-CG1 3.7Å; V126-T146 WeakPolarHBondContact CA-O 3.39Å; V126-Y184 HydrophobicContact CG2-CE1 3.54Å; V126-Y184 WeakPolarHBondContact CG2-OH 3.34Å; V126-Y188 HydrophobicContact CG1-CD2 4.31Å; V126-Y188 HydrophobicContact CG1-CE2 3.72Å; V126-S277 WeakPolarHBondContact O-CA 3.34Å; V126-G278 PolarHBondContact N-O 2.77Å; V126-G278 PolarHBondContact O-N 2.92Å; V126-I280 HydrophobicContact CG2-CG1 4.11Å; V126-M315 HydrophobicContact CB-CE 4.5Å; V126-M315 HydrophobicContact CG1-CE 4.32Å
127	R	96.8	Very high	91	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	95.3	179	-72.8	172	-177.6	-154.7	-6.2	109.9	N125 T146 S262 D263 V291	N125-R127 WeakPolarHBondContact OD1-CD 3.25Å; N125-R127 WeakPolarHBondContact OD1-CG 3.42Å; N125-R127 PolarHBondContact OD1-NE 2.95Å; R127-T146 WeakPolarHBondContact CB-OG1 3.33Å; R127-T146 PolarHBondContact N-O 3.46Å; R127-T146 PolarHBondContact O-N 2.86Å; R127-T146 PolarHBondContact O-OG1 2.86Å; R127-S262 VanDerWaalsContact CD-OG 3.27Å; R127-S262 WeakPolarHBondContact CD-OG 3.15Å; R127-S262 PolarHBondContact NH1-OG 3.29Å; R127-D263 IonicContact NH1-OD1 2.86Å; R127-D263 PolarHBondContact NH1-OD1 3.43Å; R127-V291 HydrophobicContact CG-CG2 4.35Å
128	P	95	Very high	91.1	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.3	167.3	-17.9	32.4	0	0	0	110.5	V145 M315	P128-V145 HydrophobicContact CB-CG2 4.24Å; P128-V145 HydrophobicContact CG-CG1 4.48Å; P128-M315 HydrophobicContact CG-CE 3.72Å; P128-M315 HydrophobicContact CG-SD 3.81Å
129	C	93.4	Very high	91.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	104.2	174.4	-177.4	0	0	0	0	107.5	N143 L144 C265 I269	C129-N143 WeakPolarHBondContact O-CA 3.33Å; C129-L144 HydrophobicContact CB-CD1 3.82Å; C129-L144 HydrophobicContact CB-CG 4.1Å; C129-L144 PolarHBondContact N-O 2.75Å; C129-L144 PolarHBondContact O-N 3.39Å; C129-C265 HydrophobicContact CB-CB 3.88Å; C129-C265 VanDerWaalsContact SG-C 3.53Å; C129-C265 PolarHBondContact SG-O 2.84Å; C129-I269 WeakPolarHBondContact SG-CG2 3.43Å
130	M	92.4	Very high	91.3	Very high	66 Å²	66	43.7 Å²	43.7	33%	0.325	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.7	-177.8	-61.1	-172.8	-56.9	0	0	109.5	I132 V142	M130-I132 PolarHBondContact O-N 3.17Å; M130-V142 CarbonylContact C-O 3.54Å; M130-V142 VanDerWaalsContact CA-O 3.22Å; M130-V142 WeakPolarHBondContact CA-O 3.23Å
131	S	91.5	Very high	91.1	Very high	37 Å²	37	49.4 Å²	49.4	26%	0.259	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-56.3	132.6	171.2	-71.7	0	0	0	0	109.5	D141 V142	S131-D141 PolarHBondContact OG-N 2.83Å; S131-V142 PolarHBondContact N-O 2.83Å; S131-V142 WeakPolarHBondContact OG-CB 3.45Å; S131-V142 WeakPolarHBondContact OG-CG2 3.48Å; S131-V142 PolarHBondContact OG-N 2.62Å
132	I	85.6	Confident	91.1	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.056	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-90	124	179.5	-65	177.5	0	0	0	108.5	M130 G134 Y135 V274 F334 I337	M130-I132 PolarHBondContact O-N 3.17Å; I132-G134 PolarHBondContact O-N 3.42Å; I132-Y135 PolarHBondContact O-N 2.72Å; I132-Y135 VanDerWaalsContact O-N 3.13Å; I132-V274 HydrophobicContact CD1-CB 3.48Å; I132-V274 VanDerWaalsContact CD1-CB 3.48Å; I132-V274 HydrophobicContact CD1-CG1 3.83Å; I132-V274 HydrophobicContact CD1-CG2 3.9Å; I132-F334 HydrophobicContact CG1-CE1 4.28Å; I132-F334 HydrophobicContact CG2-CD1 4.03Å; I132-F334 HydrophobicContact CG2-CE1 4.18Å; I132-I337 HydrophobicContact CG2-CD1 3.98Å; I132-I337 HydrophobicContact CG2-CG2 4.07Å
133	E	79.5	Confident	91.1	Very high	119 Å²	119	50.2 Å²	50.2	56%	0.556	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128.8	176.9	-168.1	173.1	172.4	0	0	110.4	Y135 Q338	E133-Y135 VanDerWaalsContact C-N 3.33Å; E133-Y135 PolarHBondContact O-N 2.92Å; E133-Q338 PolarHBondContact OE1-NE2 3.19Å
134	G	76.6	Confident	91.1	Very high	23 Å²	23	48.7 Å²	48.7	24%	0.237	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-3.8	-178.6	0	0	0	0	0	115.8	I132 K340	I132-G134 PolarHBondContact O-N 3.42Å; G134-K340 WeakPolarHBondContact O-CE 3.34Å
135	Y	83.1	Confident	91.1	Very high	59 Å²	59	48.7 Å²	48.7	23%	0.231	27%	0.267	C	S	.	.			trans	-106.3	107.5	171.6	-169.1	-103.5	0	0	0	111	I132 E133 T137 G270 D346 L347	I132-Y135 PolarHBondContact O-N 2.72Å; I132-Y135 VanDerWaalsContact O-N 3.13Å; E133-Y135 VanDerWaalsContact C-N 3.33Å; E133-Y135 PolarHBondContact O-N 2.92Å; Y135-T137 HydrophobicContact CD1-CG2 3.75Å; Y135-T137 HydrophobicContact CE1-CG2 3.96Å; Y135-T137 PolarHBondContact O-N 3.19Å; Y135-G270 VanDerWaalsContact CE1-CA 3.44Å; Y135-D346 PolarHBondContact OH-O 3.26Å; Y135-L347 HydrophobicContact CD2-CD2 3.77Å; Y135-L347 HydrophobicContact CE2-CB 4.29Å; Y135-L347 HydrophobicContact CE2-CD2 3.66Å; Y135-L347 HydrophobicContact CG-CD2 4.44Å
136	D	85.4	Confident	91.2	Very high	129 Å²	129	48.8 Å²	48.8	69%	0.69	27%	0.268	S	S	*	.			trans	-75.8	123.8	-173.4	-59.9	-50.3	0	0	0	110.9	K340	D136-K340 IonicContact OD2-NZ 3.93Å; D136-K340 PolarHBondContact OD2-NZ 3.06Å
137	T	90.4	Very high	91.2	Very high	33 Å²	33	48.7 Å²	48.7	20%	0.202	27%	0.267	C	S	.	.			trans	-129.6	167.8	171.8	88.8	0	0	0	0	109.8	Y135 Y139 L268	Y135-T137 HydrophobicContact CD1-CG2 3.75Å; Y135-T137 HydrophobicContact CE1-CG2 3.96Å; Y135-T137 PolarHBondContact O-N 3.19Å; T137-Y139 PolarHBondContact O-N 3.4Å; T137-Y139 VanDerWaalsContact O-N 3.1Å; T137-Y139 PolarHBondContact OG1-N 3.36Å; T137-Y139 PolarHBondContact OG1-O 3.06Å; T137-L268 PolarHBondContact OG1-O 2.76Å; T137-L268 VanDerWaalsContact OG1-O 3.08Å
138	P	91.9	Very high	91.3	Very high	130 Å²	130	48.1 Å²	48.1	84%	0.844	27%	0.265	S	S	*	.	S	Bend	trans	-60.4	-15.1	172.2	-24.5	35.7	0	0	0	114.6
139	Y	92.8	Very high	91.4	Very high	66 Å²	66	47.7 Å²	47.7	26%	0.259	26%	0.262	S	S	.	.			trans	-113	143.4	180	-60	-86.5	0	0	0	110.9	T137 V242 P245 L268	T137-Y139 PolarHBondContact O-N 3.4Å; T137-Y139 VanDerWaalsContact O-N 3.1Å; T137-Y139 PolarHBondContact OG1-N 3.36Å; T137-Y139 PolarHBondContact OG1-O 3.06Å; Y139-V242 VanDerWaalsContact CE1-O 3.25Å; Y139-V242 WeakPolarHBondContact CE1-O 3.43Å; Y139-V242 PolarHBondContact OH-O 3.09Å; Y139-P245 HydrophobicContact CD1-CG 3.92Å; Y139-L268 HydrophobicContact CD1-CD2 4.36Å; Y139-L268 HydrophobicContact CD2-CB 4.16Å; Y139-L268 HydrophobicContact CD2-CD2 3.72Å; Y139-L268 HydrophobicContact CE1-CD2 4.1Å; Y139-L268 HydrophobicContact CE2-CD2 3.42Å; Y139-L268 VanDerWaalsContact CE2-CD2 3.42Å; Y139-L268 HydrophobicContact CG-CB 4.43Å; Y139-L268 HydrophobicContact CG-CD2 4.19Å
140	T	89.5	Confident	91.5	Very high	107 Å²	107	47.7 Å²	47.7	66%	0.656	26%	0.262	S	S	*	.			trans	-120.1	155.7	173.8	62	0	0	0	0	109.9	V142	T140-V142 PolarHBondContact O-N 3.38Å; T140-V142 VanDerWaalsContact O-N 3.08Å
141	D	88.4	Confident	91.5	Very high	133 Å²	133	46.1 Å²	46.1	71%	0.711	26%	0.256	S	S	*	.	S	Bend	trans	55.7	29	172.3	-50.1	-50	0	0	0	115	S131 N143	S131-D141 PolarHBondContact OG-N 2.83Å; D141-N143 PolarHBondContact O-N 3.37Å
142	V	95	Very high	91.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.248	C	C	.	.			trans	-65.3	126.8	171.5	-176	0	0	0	0	107.8	M130 S131 T140 L144 P245 L268 I269	M130-V142 CarbonylContact C-O 3.54Å; M130-V142 VanDerWaalsContact CA-O 3.22Å; M130-V142 WeakPolarHBondContact CA-O 3.23Å; S131-V142 PolarHBondContact N-O 2.83Å; S131-V142 WeakPolarHBondContact OG-CB 3.45Å; S131-V142 WeakPolarHBondContact OG-CG2 3.48Å; S131-V142 PolarHBondContact OG-N 2.62Å; T140-V142 PolarHBondContact O-N 3.38Å; T140-V142 VanDerWaalsContact O-N 3.08Å; V142-L144 HydrophobicContact CG1-CD2 4.17Å; V142-L144 HydrophobicContact CG1-CG 4.43Å; V142-P245 HydrophobicContact CG1-CB 4.33Å; V142-P245 HydrophobicContact CG2-CB 4.36Å; V142-P245 HydrophobicContact CG2-CG 3.77Å; V142-L268 HydrophobicContact CG1-CD1 4.48Å; V142-L268 HydrophobicContact CG2-CB 4.26Å; V142-I269 HydrophobicContact CB-CG2 3.87Å; V142-I269 HydrophobicContact CG1-CG2 3.9Å; V142-I269 HydrophobicContact CG2-CG2 4.3Å
143	N	95.9	Very high	91.9	Very high	75 Å²	75	44.7 Å²	44.7	40%	0.401	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	76.3	177.9	-175.8	6.9	0	0	0	112.3	C129 D141 R194	C129-N143 WeakPolarHBondContact O-CA 3.33Å; D141-N143 PolarHBondContact O-N 3.37Å; N143-R194 PolarHBondContact O-NH1 3.37Å; N143-R194 VanDerWaalsContact O-NH1 3.1Å; N143-R194 PolarHBondContact OD1-NH1 2.95Å; N143-R194 PolarHBondContact OD1-NH2 2.98Å
144	L	96.9	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	165.6	-178.7	63.7	89.1	0	0	0	111.4	C129 V142 T146 M241 P245 F248 D249 L251 C265	C129-L144 HydrophobicContact CB-CD1 3.82Å; C129-L144 HydrophobicContact CB-CG 4.1Å; C129-L144 PolarHBondContact N-O 2.75Å; C129-L144 PolarHBondContact O-N 3.39Å; V142-L144 HydrophobicContact CG1-CD2 4.17Å; V142-L144 HydrophobicContact CG1-CG 4.43Å; L144-T146 HydrophobicContact CD1-CG2 4.06Å; L144-M241 HydrophobicContact CD2-CE 3.8Å; L144-M241 HydrophobicContact CD2-SD 3.39Å; L144-M241 WeakPolarHBondContact CD2-SD 3.35Å; L144-P245 HydrophobicContact CD2-CB 4.29Å; L144-F248 HydrophobicContact CB-CB 4.27Å; L144-F248 HydrophobicContact CD2-CB 4.24Å; L144-D249 CarbonylContact C-O 3.57Å; L144-D249 VanDerWaalsContact CA-O 3.24Å; L144-D249 WeakPolarHBondContact CA-O 3.44Å; L144-D249 WeakPolarHBondContact CB-O 3.1Å; L144-L251 HydrophobicContact CD1-CD1 4.35Å; L144-C265 HydrophobicContact CD1-CB 4.23Å; L144-C265 VanDerWaalsContact CD1-SG 3.59Å
145	V	98	Very high	93	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128	176.2	-174.9	0	0	0	0	109.5	V126 P128 I147 Y188 D249 V250 L251	V126-V145 HydrophobicContact CG1-CG1 3.7Å; P128-V145 HydrophobicContact CB-CG2 4.24Å; P128-V145 HydrophobicContact CG-CG1 4.48Å; V145-I147 HydrophobicContact CG1-CG1 4.3Å; V145-Y188 HydrophobicContact CB-CE1 4.03Å; V145-Y188 HydrophobicContact CG1-CE1 3.75Å; V145-Y188 HydrophobicContact CG2-CE1 3.91Å; V145-D249 PolarHBondContact N-O 2.94Å; V145-V250 CarbonylContact O-C 3.51Å; V145-V250 WeakPolarHBondContact O-CA 3.41Å; V145-L251 PolarHBondContact O-N 3.11Å
146	T	98.3	Very high	93.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.8	170.1	60.5	0	0	0	0	110.1	V126 R127 L144 L251 M253 S262	V126-T146 WeakPolarHBondContact CA-O 3.39Å; R127-T146 WeakPolarHBondContact CB-OG1 3.33Å; R127-T146 PolarHBondContact N-O 3.46Å; R127-T146 PolarHBondContact O-N 2.86Å; R127-T146 PolarHBondContact O-OG1 2.86Å; L144-T146 HydrophobicContact CD1-CG2 4.06Å; T146-L251 HydrophobicContact CG2-CB 4.45Å; T146-L251 HydrophobicContact CG2-CD1 4.27Å; T146-M253 HydrophobicContact CG2-CE 4.18Å; T146-S262 WeakPolarHBondContact OG1-CB 3.33Å
147	I	98.6	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104	176.7	-62.5	-179.1	0	0	0	106.9	N125 V145 I181 Y184 A185 Y188 V250 L251 V252 M253	N125-I147 WeakPolarHBondContact O-CA 3.46Å; V145-I147 HydrophobicContact CG1-CG1 4.3Å; I147-I181 HydrophobicContact CG2-CD1 3.59Å; I147-I181 HydrophobicContact CG2-CG1 4.12Å; I147-Y184 HydrophobicContact CD1-CD1 4.33Å; I147-Y184 HydrophobicContact CD1-CE1 4.27Å; I147-Y184 HydrophobicContact CG2-CD1 3.9Å; I147-Y184 HydrophobicContact CG2-CE1 4.32Å; I147-A185 HydrophobicContact CB-CB 4.48Å; I147-A185 HydrophobicContact CD1-CB 3.83Å; I147-A185 HydrophobicContact CG2-CB 4.22Å; I147-Y188 HydrophobicContact CD1-CD1 3.88Å; I147-Y188 HydrophobicContact CD1-CG 3.82Å; I147-V250 HydrophobicContact CD1-CG1 3.53Å; I147-V250 HydrophobicContact CG1-CG1 4.11Å; I147-L251 PolarHBondContact N-O 2.89Å; I147-V252 HydrophobicContact CG2-CG2 4.34Å; I147-V252 WeakPolarHBondContact O-CA 3.26Å; I147-M253 PolarHBondContact O-N 2.67Å
148	R	98.1	Very high	92.9	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.2	-174.2	163.1	-175.4	179.8	178.7	8	110	N125 N150 N255 D259	N125-R148 HydrophobicContact CB-CB 4.13Å; N125-R148 HydrophobicContact CB-CG 4.34Å; N125-R148 PolarHBondContact N-O 3.35Å; N125-R148 PolarHBondContact O-N 2.82Å; R148-N150 PolarHBondContact O-N 3.24Å; R148-N255 PolarHBondContact NE-O 2.92Å; R148-N255 PolarHBondContact NE-OD1 3.41Å; R148-N255 PolarHBondContact NH2-OD1 2.97Å; R148-D259 IonicContact CZ-OD1 3.03Å; R148-D259 VanDerWaalsContact NH1-CG 3.34Å; R148-D259 IonicContact NH1-OD1 2.78Å; R148-D259 PolarHBondContact NH1-OD1 3.45Å; R148-D259 IonicContact NH2-OD1 2.8Å; R148-D259 PolarHBondContact NH2-OD1 3.47Å; R148-D259 IonicContact NH2-OD2 2.86Å
149	E	97.7	Very high	92.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	131	163.8	-163.1	-64.7	124.8	0	0	109.1	T151 E152 I181 M253 N255	E149-T151 WeakPolarHBondContact OE1-CA 3.36Å; E149-T151 WeakPolarHBondContact OE1-CB 3.44Å; E149-T151 PolarHBondContact OE1-N 3.21Å; E149-T151 PolarHBondContact OE1-OG1 2.87Å; E149-T151 PolarHBondContact OE2-N 2.81Å; E149-E152 VanDerWaalsContact CD-CG 3.46Å; E149-E152 HydrophobicContact CG-CG 4.32Å; E149-E152 PolarHBondContact OE1-N 2.85Å; E149-E152 VanDerWaalsContact OE2-CG 3.26Å; E149-E152 WeakPolarHBondContact OE2-CG 3.49Å; E149-E152 PolarHBondContact OE2-N 3.11Å; E149-I181 HydrophobicContact CB-CB 4.5Å; E149-I181 HydrophobicContact CB-CG1 4.16Å; E149-I181 HydrophobicContact CB-CG2 4.35Å; E149-I181 HydrophobicContact CG-CB 4.46Å; E149-I181 HydrophobicContact CG-CG2 4.28Å; E149-M253 PolarHBondContact N-O 2.97Å; E149-N255 WeakPolarHBondContact O-CA 3.47Å; E149-N255 WeakPolarHBondContact O-CB 3.22Å; E149-N255 PolarHBondContact O-ND2 3.5Å; E149-N255 PolarHBondContact O-OD1 3.28Å
150	N	95.4	Very high	92.8	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.225	C	C	.	.			trans	-126	10.3	-163.8	-159.8	35.5	0	0	0	114.1	R117 L122 Y123 N125 R148 N279	R117-N150 VanDerWaalsContact CD-ND2 3.3Å; R117-N150 WeakPolarHBondContact CD-ND2 3.38Å; R117-N150 WeakPolarHBondContact CD-OD1 3.41Å; R117-N150 WeakPolarHBondContact CG-ND2 3.48Å; R117-N150 PolarHBondContact NH1-OD1 3.1Å; L122-N150 WeakPolarHBondContact O-CB 3.49Å; L122-N150 PolarHBondContact O-ND2 3.01Å; Y123-N150 WeakPolarHBondContact O-CB 3.39Å; Y123-N150 PolarHBondContact O-N 3.04Å; N125-N150 HydrophobicContact CB-CB 4.14Å; R148-N150 PolarHBondContact O-N 3.24Å; N150-N279 PolarHBondContact ND2-OD1 3.49Å
151	T	92	Very high	93.1	Very high	33 Å²	33	40.5 Å²	40.5	20%	0.202	22%	0.222	C	C	.	.	S	Bend	trans	-117.9	-26.3	-177	62	0	0	0	0	115.2	E149 R180	E149-T151 WeakPolarHBondContact OE1-CA 3.36Å; E149-T151 WeakPolarHBondContact OE1-CB 3.44Å; E149-T151 PolarHBondContact OE1-N 3.21Å; E149-T151 PolarHBondContact OE1-OG1 2.87Å; E149-T151 PolarHBondContact OE2-N 2.81Å; T151-R180 PolarHBondContact OG1-NH2 3.34Å
152	E	93.1	Very high	93.5	Very high	17 Å²	17	38.7 Å²	38.7	8%	0.079	21%	0.211	C	C	.	.	S	Bend	trans	-135.5	-149.2	-173.6	59.5	173.7	-145.1	0	0	112	E149 I173 T174 A177 N255	E149-E152 VanDerWaalsContact CD-CG 3.46Å; E149-E152 HydrophobicContact CG-CG 4.32Å; E149-E152 PolarHBondContact OE1-N 2.85Å; E149-E152 VanDerWaalsContact OE2-CG 3.26Å; E149-E152 WeakPolarHBondContact OE2-CG 3.49Å; E149-E152 PolarHBondContact OE2-N 3.11Å; E152-I173 VanDerWaalsContact OE1-CA 3.3Å; E152-I173 WeakPolarHBondContact OE1-CA 3.41Å; E152-T174 PolarHBondContact OE1-N 3.27Å; E152-T174 VanDerWaalsContact OE2-CB 3.29Å; E152-T174 WeakPolarHBondContact OE2-CB 3.24Å; E152-T174 WeakPolarHBondContact OE2-CG2 3.3Å; E152-T174 PolarHBondContact OE2-N 2.95Å; E152-T174 PolarHBondContact OE2-OG1 2.87Å; E152-A177 HydrophobicContact CG-CB 3.93Å; E152-A177 WeakPolarHBondContact OE1-CB 3.26Å; E152-A177 WeakPolarHBondContact OE2-CB 3.34Å; E152-N255 WeakPolarHBondContact O-CB 3.46Å; E152-N255 PolarHBondContact O-ND2 2.79Å
153	G	93.4	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	79.8	-144.1	-174	0	0	0	0	0	112.7	Y155 S156 L172	G153-Y155 PolarHBondContact O-N 3.21Å; G153-S156 WeakPolarHBondContact O-CB 3.43Å; G153-S156 PolarHBondContact O-N 3.01Å; G153-S156 PolarHBondContact O-OG 3.05Å; G153-L172 WeakPolarHBondContact CA-O 3.43Å; G153-L172 PolarHBondContact N-O 3.19Å; G153-L172 PolarHBondContact O-N 3.28Å
154	E	92.3	Very high	93.6	Very high	42 Å²	42	47 Å²	47	20%	0.196	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-67.4	-18.5	177.3	-59.5	83.8	173.3	0	0	111.8	S156 K171 L256	E154-S156 PolarHBondContact O-N 3.34Å; E154-K171 HydrophobicContact CG-CB 4.32Å; E154-K171 HydrophobicContact CG-CD 4.27Å; E154-K171 HydrophobicContact CG-CG 4.2Å; E154-K171 WeakPolarHBondContact OE1-CD 3.48Å; E154-K171 WeakPolarHBondContact OE1-CE 3.44Å; E154-K171 IonicContact OE1-NZ 3.39Å; E154-K171 PolarHBondContact OE1-NZ 3.42Å; E154-L256 HydrophobicContact CB-CB 4.09Å; E154-L256 HydrophobicContact CB-CD2 4.16Å; E154-L256 VanDerWaalsContact CD-CB 3.47Å; E154-L256 HydrophobicContact CG-CB 4.02Å; E154-L256 HydrophobicContact CG-CD2 3.74Å; E154-L256 WeakPolarHBondContact OE2-CB 3.28Å
155	Y	86.6	Confident	93.6	Very high	78 Å²	78	50.6 Å²	50.6	31%	0.306	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-87.3	8.2	-179.2	-71.4	-116.3	0	0	0	112.5	G153 G157 N255 L256 D259	G153-Y155 PolarHBondContact O-N 3.21Å; Y155-G157 PolarHBondContact O-N 2.84Å; Y155-N255 HydrophobicContact CD2-CB 4.21Å; Y155-L256 HydrophobicContact CD2-CB 4.46Å; Y155-L256 HydrophobicContact CE2-CB 3.91Å; Y155-L256 HydrophobicContact CE2-CD1 3.77Å; Y155-L256 HydrophobicContact CE2-CG 4.44Å; Y155-D259 PolarHBondContact OH-OD2 3.22Å
156	S	85	Confident	93.6	Very high	22 Å²	22	53.8 Å²	53.8	15%	0.154	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.5	-25	172.1	71.2	0	0	0	0	112	G153 E154 I158 I170	G153-S156 WeakPolarHBondContact O-CB 3.43Å; G153-S156 PolarHBondContact O-N 3.01Å; G153-S156 PolarHBondContact O-OG 3.05Å; E154-S156 PolarHBondContact O-N 3.34Å; S156-I158 VanDerWaalsContact C-N 3.28Å; S156-I170 PolarHBondContact OG-O 3.41Å
157	G	83.6	Confident	93.5	Very high	59 Å²	59	58.4 Å²	58.4	61%	0.608	34%	0.343	S	S	*	.			trans	72	22.1	178.4	0	0	0	0	0	113.2	Y155 E159	Y155-G157 PolarHBondContact O-N 2.84Å; G157-E159 PolarHBondContact O-N 2.95Å
158	I	88.3	Confident	93.4	Very high	69 Å²	69	62.4 Å²	62.4	35%	0.354	36%	0.361	S	S	.	.			trans	-91.4	97.2	-179.1	-56.5	172.9	0	0	0	108.5	S156 I170 L172	S156-I158 VanDerWaalsContact C-N 3.28Å; I158-I170 HydrophobicContact CB-CB 4.15Å; I158-I170 HydrophobicContact CG2-CB 4.06Å; I158-I170 HydrophobicContact CG2-CD1 3.85Å; I158-I170 HydrophobicContact CG2-CG1 4.16Å; I158-I170 PolarHBondContact O-N 3.24Å; I158-L172 HydrophobicContact CD1-CD1 3.32Å; I158-L172 HydrophobicContact CD1-CG 4.04Å
159	E	91	Very high	93.2	Very high	130 Å²	130	65.3 Å²	65.3	61%	0.607	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.4	-179	-53.9	-167.1	114	0	0	110.6	G157 Q168 S169	G157-E159 PolarHBondContact O-N 2.95Å; E159-Q168 VanDerWaalsContact CA-O 3.23Å; E159-Q168 WeakPolarHBondContact CA-O 3.34Å; E159-S169 WeakPolarHBondContact OE1-CB 3.42Å; E159-S169 PolarHBondContact OE1-OG 3.29Å
160	H	92.6	Very high	93.1	Very high	81 Å²	81	67.7 Å²	67.7	38%	0.375	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.5	174.7	57.1	-77.3	0	0	0	111.5	Q168	H160-Q168 PolarHBondContact CE1-OE1 3.38Å; H160-Q168 PolarHBondContact N-O 3.31Å; H160-Q168 PolarHBondContact NE2-OE1 2.97Å; H160-Q168 PolarHBondContact O-N 2.71Å
161	V	96.1	Very high	93.1	Very high	97 Å²	97	69.5 Å²	69.5	59%	0.588	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.9	171.2	-178	0	0	0	0	107.3	V163 V166 V167	V161-V163 WeakPolarHBondContact CG1-O 3.28Å; V161-V166 CarbonylContact C-O 3.55Å; V161-V166 WeakPolarHBondContact CA-O 3.42Å; V161-V167 HydrophobicContact CG2-CG2 4.31Å
162	I	96.4	Very high	93.3	Very high	95 Å²	95	71.5 Å²	71.5	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-51.3	177.2	-59.9	-176.8	0	0	0	109.1	V166 Q168	I162-V166 HydrophobicContact CB-CG1 4.19Å; I162-V166 HydrophobicContact CD1-CG1 4.34Å; I162-V166 PolarHBondContact N-O 2.96Å; I162-Q168 HydrophobicContact CD1-CB 3.84Å; I162-Q168 HydrophobicContact CG1-CB 4.04Å
163	V	96.3	Very high	93.6	Very high	86 Å²	86	71.8 Å²	71.8	52%	0.521	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.6	173.1	-66.9	0	0	0	0	108	V161 G165 V166	V161-V163 WeakPolarHBondContact CG1-O 3.28Å; V163-G165 PolarHBondContact O-N 3.16Å; V163-V166 HydrophobicContact CG2-CB 3.72Å; V163-V166 HydrophobicContact CG2-CG2 3.55Å; V163-V166 PolarHBondContact O-N 3.43Å
164	D	96.7	Very high	93.8	Very high	168 Å²	168	74.7 Å²	74.7	90%	0.898	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	128.8	178.9	-170.2	32.2	0	0	0	111.5	V166	D164-V166 VanDerWaalsContact C-N 3.32Å; D164-V166 PolarHBondContact O-N 3.3Å
165	G	96.2	Very high	94.1	Very high	75 Å²	75	77.6 Å²	77.6	77%	0.773	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	0.4	-174.1	0	0	0	0	0	117	V163	V163-G165 PolarHBondContact O-N 3.16Å
166	V	97.5	Very high	94.6	Very high	67 Å²	67	81.1 Å²	81.1	41%	0.406	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.1	-179.9	-177.3	0	0	0	0	111.1	V161 I162 V163 D164	V161-V166 CarbonylContact C-O 3.55Å; V161-V166 WeakPolarHBondContact CA-O 3.42Å; I162-V166 HydrophobicContact CB-CG1 4.19Å; I162-V166 HydrophobicContact CD1-CG1 4.34Å; I162-V166 PolarHBondContact N-O 2.96Å; V163-V166 HydrophobicContact CG2-CB 3.72Å; V163-V166 HydrophobicContact CG2-CG2 3.55Å; V163-V166 PolarHBondContact O-N 3.43Å; D164-V166 VanDerWaalsContact C-N 3.32Å; D164-V166 PolarHBondContact O-N 3.3Å
167	V	96.4	Very high	95.2	Very high	99 Å²	99	80.2 Å²	80.2	60%	0.6	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.5	179.9	-174.4	0	0	0	0	110	V161	V161-V167 HydrophobicContact CG2-CG2 4.31Å
168	Q	96	Very high	95.9	Very high	83 Å²	83	77.4 Å²	77.4	39%	0.388	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.9	170.9	-178.5	173.5	38.4	0	0	110.3	E159 H160 I162 I170	E159-Q168 VanDerWaalsContact CA-O 3.23Å; E159-Q168 WeakPolarHBondContact CA-O 3.34Å; H160-Q168 PolarHBondContact CE1-OE1 3.38Å; H160-Q168 PolarHBondContact N-O 3.31Å; H160-Q168 PolarHBondContact NE2-OE1 2.97Å; H160-Q168 PolarHBondContact O-N 2.71Å; I162-Q168 HydrophobicContact CD1-CB 3.84Å; I162-Q168 HydrophobicContact CG1-CB 4.04Å; Q168-I170 HydrophobicContact CG-CG1 4.28Å
169	S	94.3	Very high	96.4	Very high	64 Å²	64	77 Å²	77	45%	0.448	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.4	168.4	-166.7	0	0	0	0	109	E159	E159-S169 WeakPolarHBondContact OE1-CB 3.42Å; E159-S169 PolarHBondContact OE1-OG 3.29Å
170	I	95.8	Very high	96.7	Very high	54 Å²	54	73.2 Å²	73.2	28%	0.277	41%	0.406	S	S	.	.			trans	-104	114.8	-176	-57.8	-176.5	0	0	0	110.2	S156 I158 Q168 L172	S156-I170 PolarHBondContact OG-O 3.41Å; I158-I170 HydrophobicContact CB-CB 4.15Å; I158-I170 HydrophobicContact CG2-CB 4.06Å; I158-I170 HydrophobicContact CG2-CD1 3.85Å; I158-I170 HydrophobicContact CG2-CG1 4.16Å; I158-I170 PolarHBondContact O-N 3.24Å; Q168-I170 HydrophobicContact CG-CG1 4.28Å; I170-L172 HydrophobicContact CG2-CD2 3.88Å; I170-L172 HydrophobicContact CG2-CG 4.25Å
171	K	96.4	Very high	97	Very high	40 Å²	40	69.4 Å²	69.4	17%	0.174	39%	0.388	C	S	.	.			trans	-79.2	119.5	167	178.1	-178.9	-178.6	156.8	0	110.2	E154 I173 M206 D210 Y257	E154-K171 HydrophobicContact CG-CB 4.32Å; E154-K171 HydrophobicContact CG-CD 4.27Å; E154-K171 HydrophobicContact CG-CG 4.2Å; E154-K171 WeakPolarHBondContact OE1-CD 3.48Å; E154-K171 WeakPolarHBondContact OE1-CE 3.44Å; E154-K171 IonicContact OE1-NZ 3.39Å; E154-K171 PolarHBondContact OE1-NZ 3.42Å; K171-I173 HydrophobicContact CG-CG1 4.32Å; K171-M206 HydrophobicContact CD-SD 3.81Å; K171-M206 PolarHBondContact NZ-SD 3.16Å; K171-D210 WeakPolarHBondContact CE-OD1 3.13Å; K171-D210 IonicContact NZ-OD1 2.68Å; K171-D210 PolarHBondContact NZ-OD1 2.77Å; K171-Y257 PolarHBondContact NZ-OH 3.09Å
172	L	96.3	Very high	97.1	Very high	75 Å²	75	64.8 Å²	64.8	39%	0.393	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-103.8	126.2	173.9	-68	-177.4	0	0	0	110.6	G153 I158 I170	G153-L172 WeakPolarHBondContact CA-O 3.43Å; G153-L172 PolarHBondContact N-O 3.19Å; G153-L172 PolarHBondContact O-N 3.28Å; I158-L172 HydrophobicContact CD1-CD1 3.32Å; I158-L172 HydrophobicContact CD1-CG 4.04Å; I170-L172 HydrophobicContact CG2-CD2 3.88Å; I170-L172 HydrophobicContact CG2-CG 4.25Å
173	I	98.1	Very high	97.2	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.118	35%	0.348	C	S	.	.			trans	-126.3	126.3	168.9	-60.9	-65.2	0	0	0	107.6	E152 K171 S178 L212 F213 P254	E152-I173 VanDerWaalsContact OE1-CA 3.3Å; E152-I173 WeakPolarHBondContact OE1-CA 3.41Å; K171-I173 HydrophobicContact CG-CG1 4.32Å; I173-S178 WeakPolarHBondContact CG2-OG 3.49Å; I173-L212 HydrophobicContact CG2-CD2 4.3Å; I173-L212 HydrophobicContact CG2-CG 4.48Å; I173-F213 HydrophobicContact CG2-CB 4.31Å; I173-P254 HydrophobicContact CD1-CB 4.18Å
174	T	98.3	Very high	97.3	Very high	61 Å²	61	60.1 Å²	60.1	37%	0.374	33%	0.329	S	S	.	.			trans	-113.4	152.9	179.6	69.5	0	0	0	0	111.2	E152 Q176 A177 S178	E152-T174 PolarHBondContact OE1-N 3.27Å; E152-T174 VanDerWaalsContact OE2-CB 3.29Å; E152-T174 WeakPolarHBondContact OE2-CB 3.24Å; E152-T174 WeakPolarHBondContact OE2-CG2 3.3Å; E152-T174 PolarHBondContact OE2-N 2.95Å; E152-T174 PolarHBondContact OE2-OG1 2.87Å; T174-Q176 VanDerWaalsContact C-N 3.35Å; T174-A177 WeakPolarHBondContact OG1-CB 3.21Å; T174-A177 PolarHBondContact OG1-N 3.45Å; T174-S178 VanDerWaalsContact O-CB 3.26Å; T174-S178 WeakPolarHBondContact O-CB 3.39Å; T174-S178 PolarHBondContact O-N 2.92Å; T174-S178 VanDerWaalsContact O-N 3.08Å; T174-S178 PolarHBondContact O-OG 3.4Å
175	E	98.4	Very high	97.4	Very high	104 Å²	104	52.1 Å²	52.1	49%	0.486	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-43.6	178.5	171.8	160.9	-172.3	0	0	111.6	S178 Q179 L212 K216	E175-S178 PolarHBondContact O-N 2.8Å; E175-Q179 VanDerWaalsContact O-CB 3.28Å; E175-Q179 WeakPolarHBondContact O-CB 3.38Å; E175-Q179 PolarHBondContact O-N 3.13Å; E175-L212 HydrophobicContact CB-CD1 4.26Å; E175-K216 HydrophobicContact CG-CD 3.97Å; E175-K216 VanDerWaalsContact OE1-CE 3.31Å; E175-K216 WeakPolarHBondContact OE1-CE 3.2Å; E175-K216 IonicContact OE1-NZ 2.72Å; E175-K216 PolarHBondContact OE1-NZ 2.93Å
176	Q	97.7	Very high	97.5	Very high	151 Å²	151	48.6 Å²	48.6	71%	0.706	25%	0.25	S	C	*	.	H	α-helix	trans	-64.6	-47.4	-177.5	-173.9	-179.9	19.3	0	0	112	T174 Q179 R180	T174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-Q179 PolarHBondContact O-N 2.68Å; Q176-R180 WeakPolarHBondContact O-CG 3.49Å; Q176-R180 PolarHBondContact O-N 2.81Å; Q176-R180 VanDerWaalsContact O-N 3.08Å
177	A	97.4	Very high	97.5	Very high	3 Å²	3	50 Å²	50	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-41.9	179.4	0	0	0	0	0	111.6	E152 T174 Q179 R180 I181	E152-A177 HydrophobicContact CG-CB 3.93Å; E152-A177 WeakPolarHBondContact OE1-CB 3.26Å; E152-A177 WeakPolarHBondContact OE2-CB 3.34Å; T174-A177 WeakPolarHBondContact OG1-CB 3.21Å; T174-A177 PolarHBondContact OG1-N 3.45Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.84Å; A177-R180 VanDerWaalsContact O-CG 3.28Å; A177-R180 WeakPolarHBondContact O-CG 3.49Å; A177-R180 PolarHBondContact O-N 2.92Å; A177-I181 VanDerWaalsContact O-CG2 3.31Å; A177-I181 WeakPolarHBondContact O-CG2 3.49Å; A177-I181 PolarHBondContact O-N 2.8Å; A177-I181 VanDerWaalsContact O-N 3.14Å
178	S	98.6	Very high	97.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-38.6	175.3	-64.7	0	0	0	0	112.5	I173 T174 E175 I181 A182	I173-S178 WeakPolarHBondContact CG2-OG 3.49Å; T174-S178 VanDerWaalsContact O-CB 3.26Å; T174-S178 WeakPolarHBondContact O-CB 3.39Å; T174-S178 PolarHBondContact O-N 2.92Å; T174-S178 VanDerWaalsContact O-N 3.08Å; T174-S178 PolarHBondContact O-OG 3.4Å; E175-S178 PolarHBondContact O-N 2.8Å; S178-I181 WeakPolarHBondContact O-CG2 3.08Å; S178-A182 VanDerWaalsContact O-CB 3.27Å; S178-A182 WeakPolarHBondContact O-CB 3.41Å; S178-A182 PolarHBondContact O-N 3.08Å
179	Q	98.5	Very high	97.6	Very high	61 Å²	61	42.9 Å²	42.9	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-51.9	177.6	-175.3	170.6	-1.1	0	0	111.7	E175 Q176 A177 I181 A182 E183 K216	E175-Q179 VanDerWaalsContact O-CB 3.28Å; E175-Q179 WeakPolarHBondContact O-CB 3.38Å; E175-Q179 PolarHBondContact O-N 3.13Å; Q176-Q179 PolarHBondContact O-N 2.68Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.84Å; Q179-I181 VanDerWaalsContact C-N 3.34Å; Q179-I181 PolarHBondContact O-N 2.81Å; Q179-A182 PolarHBondContact O-N 3.32Å; Q179-E183 HydrophobicContact CG-CG 4.36Å; Q179-E183 PolarHBondContact NE2-OE1 3.32Å; Q179-E183 WeakPolarHBondContact O-CG 3.2Å; Q179-E183 PolarHBondContact O-N 3.26Å; Q179-K216 HydrophobicContact CB-CD 4.1Å
180	R	97.7	Very high	97.7	Very high	50 Å²	50	45 Å²	45	19%	0.189	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-36.3	-176.4	67.6	-179.2	178.2	171.7	-0.9	113	D121 Y123 T151 Q176 A177 Y184	D121-R180 IonicContact OD1-CZ 2.64Å; D121-R180 IonicContact OD1-NH1 2.74Å; D121-R180 PolarHBondContact OD1-NH1 3.34Å; D121-R180 IonicContact OD1-NH2 2.82Å; D121-R180 PolarHBondContact OD1-NH2 2.99Å; D121-R180 IonicContact OD2-CZ 2.65Å; D121-R180 IonicContact OD2-NH1 2.95Å; D121-R180 PolarHBondContact OD2-NH1 3.46Å; Y123-R180 VanDerWaalsContact CB-NH2 3.25Å; Y123-R180 HydrophobicContact CD2-CB 4.42Å; Y123-R180 HydrophobicContact CD2-CG 3.68Å; Y123-R180 HydrophobicContact CE2-CB 4.1Å; Y123-R180 HydrophobicContact CE2-CG 3.87Å; Y123-R180 HydrophobicContact CG-CG 4.19Å; T151-R180 PolarHBondContact OG1-NH2 3.34Å; Q176-R180 WeakPolarHBondContact O-CG 3.49Å; Q176-R180 PolarHBondContact O-N 2.81Å; Q176-R180 VanDerWaalsContact O-N 3.08Å; A177-R180 VanDerWaalsContact O-CG 3.28Å; A177-R180 WeakPolarHBondContact O-CG 3.49Å; A177-R180 PolarHBondContact O-N 2.92Å; R180-Y184 WeakPolarHBondContact O-CB 3.32Å; R180-Y184 PolarHBondContact O-N 3.34Å
181	I	98.6	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.4	-36.7	178.3	-165.5	63.8	0	0	0	111.5	Y123 A124 I147 E149 A177 S178 Q179 A185 F213 V252	Y123-I181 HydrophobicContact CD2-CD1 4.27Å; Y123-I181 HydrophobicContact CE2-CD1 4.49Å; A124-I181 HydrophobicContact CB-CD1 3.46Å; A124-I181 VanDerWaalsContact CB-CD1 3.46Å; I147-I181 HydrophobicContact CG2-CD1 3.59Å; I147-I181 HydrophobicContact CG2-CG1 4.12Å; E149-I181 HydrophobicContact CB-CB 4.5Å; E149-I181 HydrophobicContact CB-CG1 4.16Å; E149-I181 HydrophobicContact CB-CG2 4.35Å; E149-I181 HydrophobicContact CG-CB 4.46Å; E149-I181 HydrophobicContact CG-CG2 4.28Å; A177-I181 VanDerWaalsContact O-CG2 3.31Å; A177-I181 WeakPolarHBondContact O-CG2 3.49Å; A177-I181 PolarHBondContact O-N 2.8Å; A177-I181 VanDerWaalsContact O-N 3.14Å; S178-I181 WeakPolarHBondContact O-CG2 3.08Å; Q179-I181 VanDerWaalsContact C-N 3.34Å; Q179-I181 PolarHBondContact O-N 2.81Å; I181-A185 WeakPolarHBondContact O-CB 3.47Å; I181-A185 PolarHBondContact O-N 3.35Å; I181-F213 HydrophobicContact CG2-CE2 4.03Å; I181-V252 HydrophobicContact CG1-CG2 4.07Å
182	A	98.6	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-51.2	174.7	0	0	0	0	0	111.1	S178 Q179 Y184 A185 F186 A220	S178-A182 VanDerWaalsContact O-CB 3.27Å; S178-A182 WeakPolarHBondContact O-CB 3.41Å; S178-A182 PolarHBondContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 3.32Å; A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.07Å; A182-A185 PolarHBondContact O-N 2.67Å; A182-A185 VanDerWaalsContact O-N 3.11Å; A182-F186 VanDerWaalsContact O-CD2 3.3Å; A182-F186 WeakPolarHBondContact O-CD2 3.16Å; A182-F186 PolarHBondContact O-N 3.01Å; A182-A220 HydrophobicContact CB-CB 3.88Å
183	E	98.2	Very high	97.5	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-46.1	176.9	-71.7	176.9	172.2	0	0	110.8	Q179 A185 F186 E187 A220 K223	Q179-E183 HydrophobicContact CG-CG 4.36Å; Q179-E183 PolarHBondContact NE2-OE1 3.32Å; Q179-E183 WeakPolarHBondContact O-CG 3.2Å; Q179-E183 PolarHBondContact O-N 3.26Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.28Å; E183-F186 PolarHBondContact O-N 3.35Å; E183-E187 WeakPolarHBondContact O-CG 3.35Å; E183-E187 PolarHBondContact O-N 2.96Å; E183-A220 HydrophobicContact CG-CB 4.34Å; E183-K223 IonicContact OE1-NZ 3.12Å; E183-K223 PolarHBondContact OE1-NZ 3.22Å
184	Y	98.1	Very high	97.5	Very high	32 Å²	32	54.6 Å²	54.6	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-41.1	175.3	-177.8	-90.5	0	0	0	112.8	Y123 A124 V126 I147 R180 A182 F186 E187 Y188 I280	Y123-Y184 HydrophobicContact CE2-CG 4.36Å; A124-Y184 HydrophobicContact CB-CD1 3.73Å; A124-Y184 HydrophobicContact CB-CE1 3.91Å; A124-Y184 HydrophobicContact CB-CG 4.12Å; V126-Y184 HydrophobicContact CG2-CE1 3.54Å; V126-Y184 WeakPolarHBondContact CG2-OH 3.34Å; I147-Y184 HydrophobicContact CD1-CD1 4.33Å; I147-Y184 HydrophobicContact CD1-CE1 4.27Å; I147-Y184 HydrophobicContact CG2-CD1 3.9Å; I147-Y184 HydrophobicContact CG2-CE1 4.32Å; R180-Y184 WeakPolarHBondContact O-CB 3.32Å; R180-Y184 PolarHBondContact O-N 3.34Å; A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.07Å; Y184-F186 PolarHBondContact O-N 3.16Å; Y184-E187 PolarHBondContact O-N 3.43Å; Y184-Y188 HydrophobicContact CE1-CD2 4.35Å; Y184-Y188 VanDerWaalsContact O-CB 3.23Å; Y184-Y188 WeakPolarHBondContact O-CB 3.41Å; Y184-Y188 PolarHBondContact O-N 3.42Å; Y184-I280 HydrophobicContact CE2-CB 4.26Å; Y184-I280 HydrophobicContact CE2-CG2 3.85Å; Y184-I280 WeakPolarHBondContact OH-CG1 3.22Å
185	A	98.6	Very high	97.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-41.3	-179.5	0	0	0	0	0	113.1	I147 I181 A182 E183 A189 V197 V252	I147-A185 HydrophobicContact CB-CB 4.48Å; I147-A185 HydrophobicContact CD1-CB 3.83Å; I147-A185 HydrophobicContact CG2-CB 4.22Å; I181-A185 WeakPolarHBondContact O-CB 3.47Å; I181-A185 PolarHBondContact O-N 3.35Å; A182-A185 PolarHBondContact O-N 2.67Å; A182-A185 VanDerWaalsContact O-N 3.11Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.06Å; A185-V197 HydrophobicContact CB-CG1 4.35Å; A185-V252 HydrophobicContact CB-CB 3.68Å; A185-V252 HydrophobicContact CB-CG1 4.24Å; A185-V252 HydrophobicContact CB-CG2 3.74Å
186	F	98.6	Very high	97.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-41.1	175.5	-78.6	-81	0	0	0	112.4	A182 E183 Y184 Y188 A189 K190 V197 A220 A221 H224 I227 F229	A182-F186 VanDerWaalsContact O-CD2 3.3Å; A182-F186 WeakPolarHBondContact O-CD2 3.16Å; A182-F186 PolarHBondContact O-N 3.01Å; E183-F186 PolarHBondContact O-N 3.35Å; Y184-F186 PolarHBondContact O-N 3.16Å; F186-Y188 VanDerWaalsContact C-N 3.34Å; F186-A189 PolarHBondContact O-N 2.88Å; F186-K190 WeakPolarHBondContact O-CB 3.36Å; F186-K190 PolarHBondContact O-N 3.39Å; F186-V197 HydrophobicContact CD1-CB 4.39Å; F186-V197 HydrophobicContact CD1-CG2 4.08Å; F186-V197 HydrophobicContact CE1-CB 4.01Å; F186-V197 HydrophobicContact CE1-CG2 4.2Å; F186-V197 HydrophobicContact CE2-CG1 4.23Å; F186-V197 HydrophobicContact CG-CG2 4.43Å; F186-V197 HydrophobicContact CZ-CB 4.11Å; F186-V197 HydrophobicContact CZ-CG1 4.16Å; F186-A220 HydrophobicContact CD2-CB 3.69Å; F186-A220 HydrophobicContact CE2-CB 3.83Å; F186-A221 HydrophobicContact CE1-CB 4.19Å; F186-A221 HydrophobicContact CE2-CB 4.18Å; F186-A221 HydrophobicContact CZ-CB 3.54Å; F186-H224 HydrophobicContact CB-CB 4.03Å; F186-H224 VanDerWaalsContact CB-CD2 3.49Å; F186-H224 WeakPolarHBondContact CB-CD2 3.48Å; F186-H224 HydrophobicContact CD1-CB 3.57Å; F186-H224 HydrophobicContact CE1-CB 4.27Å; F186-H224 HydrophobicContact CG-CB 3.96Å; F186-H224 AromaticContact CG-CD2 3.92Å; F186-I227 HydrophobicContact CD1-CB 3.83Å; F186-I227 HydrophobicContact CD1-CG1 4.28Å; F186-I227 HydrophobicContact CD1-CG2 3.82Å; F186-I227 HydrophobicContact CE1-CB 4.03Å; F186-I227 HydrophobicContact CE1-CG2 3.87Å; F186-F229 HydrophobicContact CE1-CB 4.44Å; F186-F229 HydrophobicContact CE1-CD2 4.48Å; F186-F229 HydrophobicContact CE2-CD2 4.33Å; F186-F229 HydrophobicContact CZ-CB 4.17Å; F186-F229 AromaticContact CZ-CD2 3.57Å; F186-F229 HydrophobicContact CZ-CD2 3.57Å; F186-F229 HydrophobicContact CZ-CE2 4.26Å; F186-F229 HydrophobicContact CZ-CG 4.09Å
187	E	96.8	Very high	97.5	Very high	98 Å²	98	44 Å²	44	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-42.9	173.7	-73	-176.8	172.4	0	0	111.7	E183 Y184 K190 N191	E183-E187 WeakPolarHBondContact O-CG 3.35Å; E183-E187 PolarHBondContact O-N 2.96Å; Y184-E187 PolarHBondContact O-N 3.43Å; E187-K190 PolarHBondContact O-N 3.48Å; E187-N191 VanDerWaalsContact O-CB 3.27Å; E187-N191 WeakPolarHBondContact O-CB 3.17Å; E187-N191 PolarHBondContact O-N 2.89Å; E187-N191 PolarHBondContact O-ND2 2.83Å; E187-N191 VanDerWaalsContact O-ND2 3.1Å
188	Y	97.1	Very high	97.5	Very high	31 Å²	31	44.1 Å²	44.1	12%	0.122	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.6	-179.5	-84.3	0	0	0	110.7	V126 V145 I147 Y184 F186 K190 N191 N192 V250	V126-Y188 HydrophobicContact CG1-CD2 4.31Å; V126-Y188 HydrophobicContact CG1-CE2 3.72Å; V145-Y188 HydrophobicContact CB-CE1 4.03Å; V145-Y188 HydrophobicContact CG1-CE1 3.75Å; V145-Y188 HydrophobicContact CG2-CE1 3.91Å; I147-Y188 HydrophobicContact CD1-CD1 3.88Å; I147-Y188 HydrophobicContact CD1-CG 3.82Å; Y184-Y188 HydrophobicContact CE1-CD2 4.35Å; Y184-Y188 VanDerWaalsContact O-CB 3.23Å; Y184-Y188 WeakPolarHBondContact O-CB 3.41Å; Y184-Y188 PolarHBondContact O-N 3.42Å; F186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-K190 VanDerWaalsContact C-N 3.33Å; Y188-K190 PolarHBondContact O-N 2.97Å; Y188-N191 PolarHBondContact O-N 2.69Å; Y188-N192 WeakPolarHBondContact CD2-ND2 3.5Å; Y188-N192 HydrophobicContact CE1-CB 4.25Å; Y188-N192 VanDerWaalsContact CE2-ND2 3.34Å; Y188-N192 WeakPolarHBondContact CE2-ND2 3.24Å; Y188-N192 WeakPolarHBondContact O-CB 3.49Å; Y188-N192 PolarHBondContact O-N 3.38Å; Y188-N192 PolarHBondContact O-ND2 2.72Å; Y188-V250 HydrophobicContact CD1-CG2 4.22Å; Y188-V250 HydrophobicContact CE1-CG2 4.44Å
189	A	98.1	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-48.9	179	0	0	0	0	0	111	A185 F186 N192 Q193 R194 V197 I227 V250	A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.06Å; F186-A189 PolarHBondContact O-N 2.88Å; A189-N192 CarbonylContact O-C 3.47Å; A189-N192 PolarHBondContact O-N 3.05Å; A189-Q193 PolarHBondContact O-N 3.05Å; A189-Q193 VanDerWaalsContact O-N 3.09Å; A189-R194 HydrophobicContact CB-CB 4Å; A189-R194 PolarHBondContact O-N 2.9Å; A189-V197 HydrophobicContact CB-CG2 3.72Å; A189-I227 HydrophobicContact CB-CD1 4.13Å; A189-I227 HydrophobicContact CB-CG1 4.44Å; A189-I227 HydrophobicContact CB-CG2 4.3Å; A189-V250 HydrophobicContact CB-CG2 4.08Å
190	K	96.6	Very high	97.6	Very high	108 Å²	108	41.2 Å²	41.2	47%	0.47	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-47.8	178.1	-173.6	170.9	-171.1	131.3	0	113.2	F186 E187 Y188 N192 Q193 D226	F186-K190 WeakPolarHBondContact O-CB 3.36Å; F186-K190 PolarHBondContact O-N 3.39Å; E187-K190 PolarHBondContact O-N 3.48Å; Y188-K190 VanDerWaalsContact C-N 3.33Å; Y188-K190 PolarHBondContact O-N 2.97Å; K190-N192 PolarHBondContact O-N 3.23Å; K190-Q193 PolarHBondContact O-N 3.48Å; K190-D226 IonicContact NZ-OD1 3.8Å; K190-D226 IonicContact NZ-OD2 2.81Å; K190-D226 PolarHBondContact NZ-OD2 3.25Å
191	N	93.4	Very high	97.6	Very high	100 Å²	100	39.3 Å²	39.3	54%	0.535	19%	0.194	S	C	.	.	H	α-helix	trans	-67.7	-24.7	-177	-72.4	-30.4	0	0	0	113.2	E187 Y188	E187-N191 VanDerWaalsContact O-CB 3.27Å; E187-N191 WeakPolarHBondContact O-CB 3.17Å; E187-N191 PolarHBondContact O-N 2.89Å; E187-N191 PolarHBondContact O-ND2 2.83Å; E187-N191 VanDerWaalsContact O-ND2 3.1Å; Y188-N191 PolarHBondContact O-N 2.69Å
192	N	94.1	Very high	97.6	Very high	73 Å²	73	41 Å²	41	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	17.8	179.8	-62.8	-81.8	0	0	0	112.9	Y188 A189 K190 R194	Y188-N192 WeakPolarHBondContact CD2-ND2 3.5Å; Y188-N192 HydrophobicContact CE1-CB 4.25Å; Y188-N192 VanDerWaalsContact CE2-ND2 3.34Å; Y188-N192 WeakPolarHBondContact CE2-ND2 3.24Å; Y188-N192 WeakPolarHBondContact O-CB 3.49Å; Y188-N192 PolarHBondContact O-N 3.38Å; Y188-N192 PolarHBondContact O-ND2 2.72Å; A189-N192 CarbonylContact O-C 3.47Å; A189-N192 PolarHBondContact O-N 3.05Å; K190-N192 PolarHBondContact O-N 3.23Å; N192-R194 HydrophobicContact CB-CG 4.32Å; N192-R194 PolarHBondContact O-N 2.9Å; N192-R194 VanDerWaalsContact O-N 3.15Å
193	Q	95.8	Very high	97.5	Very high	178 Å²	178	41.9 Å²	41.9	83%	0.832	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	35.3	174.8	-62.5	149.9	43.3	0	0	113.2	A189 K190	A189-Q193 PolarHBondContact O-N 3.05Å; A189-Q193 VanDerWaalsContact O-N 3.09Å; K190-Q193 PolarHBondContact O-N 3.48Å
194	R	97.6	Very high	97.3	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.166	21%	0.214	C	C	.	.			trans	-83.9	155.2	171.4	-57.2	-47.6	-163.7	127.8	-11.5	110.1	N143 A189 N192 I227 D249 V250	N143-R194 PolarHBondContact O-NH1 3.37Å; N143-R194 VanDerWaalsContact O-NH1 3.1Å; N143-R194 PolarHBondContact OD1-NH1 2.95Å; N143-R194 PolarHBondContact OD1-NH2 2.98Å; A189-R194 HydrophobicContact CB-CB 4Å; A189-R194 PolarHBondContact O-N 2.9Å; N192-R194 HydrophobicContact CB-CG 4.32Å; N192-R194 PolarHBondContact O-N 2.9Å; N192-R194 VanDerWaalsContact O-N 3.15Å; R194-I227 WeakPolarHBondContact O-CD1 3.3Å; R194-D249 WeakPolarHBondContact CB-OD1 3.36Å; R194-D249 WeakPolarHBondContact CB-OD2 3.46Å; R194-D249 WeakPolarHBondContact CD-OD1 3.25Å; R194-D249 WeakPolarHBondContact CG-OD1 3.24Å; R194-D249 IonicContact CZ-OD1 2.83Å; R194-D249 IonicContact NE-OD1 4Å; R194-D249 IonicContact NH1-OD1 3.42Å; R194-D249 PolarHBondContact NH1-OD1 3.03Å; R194-V250 HydrophobicContact CB-CG2 3.81Å; R194-V250 HydrophobicContact CG-CG2 3.74Å
195	S	97.3	Very high	97.3	Very high	78 Å²	78	46.8 Å²	46.8	55%	0.545	24%	0.238	S	C	.	.			trans	-102.4	-27.3	-170.2	66.2	0	0	0	0	113.2	K228 D249	S195-K228 PolarHBondContact O-N 3.46Å; S195-D249 PolarHBondContact N-OD2 2.79Å; S195-D249 PolarHBondContact OG-OD2 2.92Å
196	S	98.4	Very high	97.2	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.4	-174.2	69.5	0	0	0	0	114.3	K228 D249 V250	S196-K228 CarbonylContact C-O 3.46Å; S196-K228 WeakPolarHBondContact CA-O 3.24Å; S196-K228 WeakPolarHBondContact CB-O 3.13Å; S196-D249 PolarHBondContact N-OD2 3.27Å; S196-D249 VanDerWaalsContact N-OD2 3.17Å; S196-D249 WeakPolarHBondContact OG-CB 3.37Å; S196-V250 WeakPolarHBondContact O-CB 3.23Å; S196-V250 PolarHBondContact O-N 2.7Å; S196-V250 VanDerWaalsContact O-N 3.15Å
197	V	98.8	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.7	172.4	172.6	0	0	0	0	108.4	A185 F186 A189 I227 K228 F229 T230 V250 V252	A185-V197 HydrophobicContact CB-CG1 4.35Å; F186-V197 HydrophobicContact CD1-CB 4.39Å; F186-V197 HydrophobicContact CD1-CG2 4.08Å; F186-V197 HydrophobicContact CE1-CB 4.01Å; F186-V197 HydrophobicContact CE1-CG2 4.2Å; F186-V197 HydrophobicContact CE2-CG1 4.23Å; F186-V197 HydrophobicContact CG-CG2 4.43Å; F186-V197 HydrophobicContact CZ-CB 4.11Å; F186-V197 HydrophobicContact CZ-CG1 4.16Å; A189-V197 HydrophobicContact CB-CG2 3.72Å; V197-I227 HydrophobicContact CB-CG2 4.17Å; V197-I227 HydrophobicContact CG2-CG2 3.73Å; V197-K228 PolarHBondContact N-O 3.26Å; V197-F229 WeakPolarHBondContact O-CA 3.5Å; V197-F229 WeakPolarHBondContact O-CD2 3.5Å; V197-T230 PolarHBondContact O-N 3.17Å; V197-V250 CarbonylContact C-O 3.49Å; V197-V250 VanDerWaalsContact CA-O 3.32Å; V197-V250 WeakPolarHBondContact CA-O 3.4Å; V197-V250 HydrophobicContact CG2-CB 4.01Å; V197-V250 HydrophobicContact CG2-CG1 4.15Å; V197-V252 HydrophobicContact CG1-CB 4.45Å; V197-V252 HydrophobicContact CG1-CG1 3.73Å
198	T	98.8	Very high	97.2	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119	175.4	-64	0	0	0	0	109.9	T230 M232 V250 L251 V252	T198-T230 CarbonylContact C-O 3.45Å; T198-T230 VanDerWaalsContact CA-O 3.26Å; T198-T230 WeakPolarHBondContact CA-O 3.49Å; T198-M232 HydrophobicContact CG2-CB 4.03Å; T198-M232 HydrophobicContact CG2-CG 3.86Å; T198-M232 HydrophobicContact CG2-SD 4.02Å; T198-V250 PolarHBondContact N-O 3.32Å; T198-L251 HydrophobicContact CG2-CD2 3.87Å; T198-L251 WeakPolarHBondContact O-CA 3.3Å; T198-V252 PolarHBondContact O-N 2.99Å
199	A	98.8	Very high	97.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.8	171.8	0	0	0	0	0	110.3	F213 C217 F229 T230 M232 V252	A199-F213 HydrophobicContact CB-CE1 4.27Å; A199-C217 HydrophobicContact CB-CB 4.01Å; A199-F229 HydrophobicContact CB-CE2 3.73Å; A199-F229 HydrophobicContact CB-CZ 3.89Å; A199-T230 PolarHBondContact N-O 3.37Å; A199-M232 PolarHBondContact O-N 3.4Å; A199-V252 WeakPolarHBondContact CA-O 3.4Å; A199-V252 HydrophobicContact CB-CG1 4.15Å
200	V	98.8	Very high	97.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.9	179.5	-169	0	0	0	0	110.4	M232 L234 V237 L251 V252 M253 P254 L261	V200-M232 WeakPolarHBondContact CA-O 3.43Å; V200-L234 HydrophobicContact CG1-CB 4.13Å; V200-L234 HydrophobicContact CG1-CD1 4.07Å; V200-V237 HydrophobicContact CG1-CB 4.27Å; V200-V237 HydrophobicContact CG1-CG2 3.94Å; V200-V237 HydrophobicContact CG2-CG1 4.48Å; V200-V237 HydrophobicContact CG2-CG2 4.07Å; V200-L251 HydrophobicContact CG2-CB 4.35Å; V200-L251 HydrophobicContact CG2-CD2 3.58Å; V200-V252 PolarHBondContact N-O 3.41Å; V200-M253 HydrophobicContact CB-CB 3.92Å; V200-M253 HydrophobicContact CB-SD 4.49Å; V200-M253 HydrophobicContact CG2-CE 4.01Å; V200-P254 WeakPolarHBondContact O-CD 3.47Å; V200-L261 HydrophobicContact CB-CD1 4.4Å; V200-L261 HydrophobicContact CG1-CD1 3.84Å; V200-L261 HydrophobicContact CG2-CD1 4.25Å
201	H	98.5	Very high	97.3	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	175.7	-173.2	69.1	110.6	0	0	0	113.5	A203 D210 L214 M232 Y233 L234	H201-A203 WeakPolarHBondContact ND1-CB 3.32Å; H201-A203 PolarHBondContact ND1-N 2.86Å; H201-D210 HydrophobicContact CB-CB 4.35Å; H201-L214 HydrophobicContact CB-CD1 3.28Å; H201-L214 VanDerWaalsContact CD2-CD1 3.49Å; H201-L214 WeakPolarHBondContact CD2-CD1 3.39Å; H201-L214 VanDerWaalsContact CE1-CD2 3.41Å; H201-L214 WeakPolarHBondContact CE1-CD2 3.34Å; H201-M232 PolarHBondContact CD2-O 2.94Å; H201-M232 PolarHBondContact N-O 2.88Å; H201-M232 VanDerWaalsContact N-O 3.08Å; H201-Y233 AromaticContact CE1-CD1 3.63Å; H201-Y233 AromaticContact CE1-CE1 3.48Å; H201-Y233 VanDerWaalsContact CE1-CE1 3.48Å; H201-Y233 WeakPolarHBondContact CE1-CE1 3.38Å; H201-Y233 AromaticContact NE2-CD1 3.97Å; H201-Y233 CarbonylContact O-C 3.32Å; H201-Y233 WeakPolarHBondContact O-CA 3.47Å; H201-L234 PolarHBondContact O-N 2.62Å
202	K	97.8	Very high	97.5	Very high	36 Å²	36	54 Å²	54	16%	0.157	27%	0.272	C	S	.	.			trans	-136.1	42.6	169.9	-157.1	67.7	179.3	159.3	0	111.4	N204 I205 M206 D210 D235	K202-N204 WeakPolarHBondContact CD-OD1 3.3Å; K202-N204 PolarHBondContact O-N 3.13Å; K202-N204 VanDerWaalsContact O-N 3.09Å; K202-N204 PolarHBondContact O-OD1 2.83Å; K202-I205 HydrophobicContact CG-CB 4.38Å; K202-I205 HydrophobicContact CG-CG1 4.29Å; K202-I205 PolarHBondContact O-N 3.36Å; K202-M206 HydrophobicContact CB-CE 3.81Å; K202-M206 HydrophobicContact CG-CE 4.28Å; K202-M206 PolarHBondContact O-N 2.86Å; K202-D210 WeakPolarHBondContact CA-OD2 3.47Å; K202-D210 PolarHBondContact N-OD2 2.77Å; K202-D235 IonicContact NZ-OD1 2.69Å; K202-D235 PolarHBondContact NZ-OD1 3.07Å; K202-D235 IonicContact NZ-OD2 2.63Å; K202-D235 PolarHBondContact NZ-OD2 3.5Å
203	A	96.7	Very high	97.8	Very high	19 Å²	19	50.6 Å²	50.6	16%	0.157	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	-176.6	0	0	0	0	0	114.5	H201 I205 R207 D210	H201-A203 WeakPolarHBondContact ND1-CB 3.32Å; H201-A203 PolarHBondContact ND1-N 2.86Å; A203-I205 VanDerWaalsContact C-N 3.28Å; A203-R207 WeakPolarHBondContact O-CA 3.43Å; A203-R207 WeakPolarHBondContact O-CG 3.24Å; A203-D210 HydrophobicContact CB-CB 3.88Å
204	N	95.1	Very high	97.9	Very high	64 Å²	64	42.4 Å²	42.4	34%	0.342	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.8	170.8	65.3	-36.2	0	0	0	112.1	K202 Y233	K202-N204 WeakPolarHBondContact CD-OD1 3.3Å; K202-N204 PolarHBondContact O-N 3.13Å; K202-N204 VanDerWaalsContact O-N 3.09Å; K202-N204 PolarHBondContact O-OD1 2.83Å; N204-Y233 HydrophobicContact CB-CE1 3.97Å
205	I	97	Very high	97.9	Very high	123 Å²	123	46 Å²	46	63%	0.631	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-54.4	175	-55.5	-56.5	0	0	0	110	K202 A203 R207	K202-I205 HydrophobicContact CG-CB 4.38Å; K202-I205 HydrophobicContact CG-CG1 4.29Å; K202-I205 PolarHBondContact O-N 3.36Å; A203-I205 VanDerWaalsContact C-N 3.28Å; I205-R207 PolarHBondContact O-N 3.03Å; I205-R207 VanDerWaalsContact O-N 3.15Å
206	M	97	Very high	98	Very high	56 Å²	56	43 Å²	43	28%	0.276	21%	0.206	S	C	.	.	S	Bend	trans	-90.9	65.9	-178.8	-82.3	169.2	-72.4	0	0	111.8	K171 K202 M208 D210 Y257	K171-M206 HydrophobicContact CD-SD 3.81Å; K171-M206 PolarHBondContact NZ-SD 3.16Å; K202-M206 HydrophobicContact CB-CE 3.81Å; K202-M206 HydrophobicContact CG-CE 4.28Å; K202-M206 PolarHBondContact O-N 2.86Å; M206-M208 VanDerWaalsContact C-N 3.26Å; M206-M208 PolarHBondContact O-N 3Å; M206-M208 VanDerWaalsContact O-N 3.16Å; M206-D210 HydrophobicContact CB-CB 4.21Å; M206-D210 WeakPolarHBondContact O-CB 3.48Å; M206-D210 PolarHBondContact O-N 2.95Å; M206-Y257 WeakPolarHBondContact CE-OH 3.43Å
207	R	96.9	Very high	98	Very high	198 Å²	198	42.3 Å²	42.3	75%	0.747	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.5	-170.9	-62.1	-178	-174.5	177	2	114.6	A203 I205 G211	A203-R207 WeakPolarHBondContact O-CA 3.43Å; A203-R207 WeakPolarHBondContact O-CG 3.24Å; I205-R207 PolarHBondContact O-N 3.03Å; I205-R207 VanDerWaalsContact O-N 3.15Å; R207-G211 WeakPolarHBondContact O-CA 3.5Å; R207-G211 PolarHBondContact O-N 2.79Å
208	M	98	Very high	98	Very high	166 Å²	166	47.6 Å²	47.6	82%	0.818	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-54.6	-175.6	-65.8	-177.8	69.8	0	0	112.6	M206 L212	M206-M208 VanDerWaalsContact C-N 3.26Å; M206-M208 PolarHBondContact O-N 3Å; M206-M208 VanDerWaalsContact O-N 3.16Å; M208-L212 WeakPolarHBondContact O-CB 3.45Å; M208-L212 PolarHBondContact O-N 3.2Å
209	S	97.8	Very high	98	Very high	29 Å²	29	50.6 Å²	50.6	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-59.6	-176.3	43.4	0	0	0	0	111.3	G211 L212 F213	S209-G211 VanDerWaalsContact C-N 3.26Å; S209-G211 PolarHBondContact O-N 2.91Å; S209-L212 WeakPolarHBondContact O-CB 3.43Å; S209-L212 PolarHBondContact O-N 2.77Å; S209-L212 VanDerWaalsContact O-N 3.14Å; S209-F213 PolarHBondContact O-N 3.29Å
210	D	98.3	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-27.3	178	-74.5	24.1	0	0	0	112.1	K171 H201 K202 A203 M206 L212 F213 L214 Y257	K171-D210 WeakPolarHBondContact CE-OD1 3.13Å; K171-D210 IonicContact NZ-OD1 2.68Å; K171-D210 PolarHBondContact NZ-OD1 2.77Å; H201-D210 HydrophobicContact CB-CB 4.35Å; K202-D210 WeakPolarHBondContact CA-OD2 3.47Å; K202-D210 PolarHBondContact N-OD2 2.77Å; A203-D210 HydrophobicContact CB-CB 3.88Å; M206-D210 HydrophobicContact CB-CB 4.21Å; M206-D210 WeakPolarHBondContact O-CB 3.48Å; M206-D210 PolarHBondContact O-N 2.95Å; D210-L212 VanDerWaalsContact C-N 3.33Å; D210-F213 PolarHBondContact O-N 2.94Å; D210-L214 WeakPolarHBondContact O-CB 3.39Å; D210-L214 PolarHBondContact O-N 2.98Å; D210-Y257 WeakPolarHBondContact OD2-CE2 3.49Å; D210-Y257 PolarHBondContact OD2-OH 2.95Å
211	G	98.4	Very high	98	Very high	11 Å²	11	51.2 Å²	51.2	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-36	171.6	0	0	0	0	0	112.8	R207 S209 R215	R207-G211 WeakPolarHBondContact O-CA 3.5Å; R207-G211 PolarHBondContact O-N 2.79Å; S209-G211 VanDerWaalsContact C-N 3.26Å; S209-G211 PolarHBondContact O-N 2.91Å; G211-R215 WeakPolarHBondContact O-CG 3.32Å; G211-R215 PolarHBondContact O-N 3.06Å; G211-R215 VanDerWaalsContact O-N 3.12Å; G211-R215 PolarHBondContact O-NH1 3.35Å
212	L	98.8	Very high	98	Very high	28 Å²	28	57 Å²	57	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-47.9	172.9	174.5	60.9	0	0	0	111.2	I173 E175 M208 S209 D210 L214 R215 K216	I173-L212 HydrophobicContact CG2-CD2 4.3Å; I173-L212 HydrophobicContact CG2-CG 4.48Å; E175-L212 HydrophobicContact CB-CD1 4.26Å; M208-L212 WeakPolarHBondContact O-CB 3.45Å; M208-L212 PolarHBondContact O-N 3.2Å; S209-L212 WeakPolarHBondContact O-CB 3.43Å; S209-L212 PolarHBondContact O-N 2.77Å; S209-L212 VanDerWaalsContact O-N 3.14Å; D210-L212 VanDerWaalsContact C-N 3.33Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 3.06Å; L212-R215 VanDerWaalsContact CD1-NH2 3.33Å; L212-R215 PolarHBondContact O-N 2.83Å; L212-K216 PolarHBondContact O-N 3.1Å
213	F	98.8	Very high	97.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-54.4	-49.5	174.8	170.2	-102.4	0	0	0	111.7	I173 I181 A199 S209 D210 R215 K216 C217 V252 P254	I173-F213 HydrophobicContact CG2-CB 4.31Å; I181-F213 HydrophobicContact CG2-CE2 4.03Å; A199-F213 HydrophobicContact CB-CE1 4.27Å; S209-F213 PolarHBondContact O-N 3.29Å; D210-F213 PolarHBondContact O-N 2.94Å; F213-R215 PolarHBondContact O-N 2.93Å; F213-K216 PolarHBondContact O-N 3.09Å; F213-K216 VanDerWaalsContact O-N 3.13Å; F213-C217 WeakPolarHBondContact CZ-SG 3.37Å; F213-C217 PolarHBondContact O-N 2.88Å; F213-C217 PolarHBondContact O-SG 2.81Å; F213-V252 HydrophobicContact CE2-CG2 4.5Å; F213-V252 HydrophobicContact CZ-CG1 4.45Å; F213-V252 HydrophobicContact CZ-CG2 4.26Å; F213-P254 HydrophobicContact CB-CG 4.5Å; F213-P254 HydrophobicContact CD1-CG 3.96Å; F213-P254 HydrophobicContact CD2-CG 4.18Å; F213-P254 HydrophobicContact CE1-CG 4.24Å; F213-P254 HydrophobicContact CE2-CG 4.43Å; F213-P254 HydrophobicContact CG-CG 3.95Å; F213-P254 HydrophobicContact CZ-CG 4.47Å
214	L	98.4	Very high	98	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-41.9	179	-114.5	68.7	0	0	0	113.6	H201 D210 L212 K216 C217 R218 E231	H201-L214 HydrophobicContact CB-CD1 3.28Å; H201-L214 VanDerWaalsContact CD2-CD1 3.49Å; H201-L214 WeakPolarHBondContact CD2-CD1 3.39Å; H201-L214 VanDerWaalsContact CE1-CD2 3.41Å; H201-L214 WeakPolarHBondContact CE1-CD2 3.34Å; D210-L214 WeakPolarHBondContact O-CB 3.39Å; D210-L214 PolarHBondContact O-N 2.98Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 3.06Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.84Å; L214-C217 PolarHBondContact O-N 3.41Å; L214-R218 WeakPolarHBondContact O-CG 3.47Å; L214-R218 PolarHBondContact O-N 3.06Å; L214-E231 HydrophobicContact CD2-CG 4.4Å; L214-E231 VanDerWaalsContact CD2-OE2 3.23Å; L214-E231 WeakPolarHBondContact CD2-OE2 3.27Å; L214-E231 HydrophobicContact CG-CG 4.48Å
215	R	98.6	Very high	97.9	Very high	121 Å²	121	66.3 Å²	66.3	46%	0.457	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-44.1	176.4	-76.1	-169.2	-54.9	-88.9	6.3	111	G211 L212 F213 R218 E219	G211-R215 WeakPolarHBondContact O-CG 3.32Å; G211-R215 PolarHBondContact O-N 3.06Å; G211-R215 VanDerWaalsContact O-N 3.12Å; G211-R215 PolarHBondContact O-NH1 3.35Å; L212-R215 VanDerWaalsContact CD1-NH2 3.33Å; L212-R215 PolarHBondContact O-N 2.83Å; F213-R215 PolarHBondContact O-N 2.93Å; R215-R218 WeakPolarHBondContact O-CB 3.39Å; R215-R218 PolarHBondContact O-N 3.11Å; R215-E219 WeakPolarHBondContact O-CG 3.31Å; R215-E219 PolarHBondContact O-N 3.25Å
216	K	98.8	Very high	97.8	Very high	13 Å²	13	65 Å²	65	6%	0.057	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-35.7	178.9	-63.2	-67.2	140.2	-177.3	0	112.6	E175 Q179 L212 F213 L214 E219 A220	E175-K216 HydrophobicContact CG-CD 3.97Å; E175-K216 VanDerWaalsContact OE1-CE 3.31Å; E175-K216 WeakPolarHBondContact OE1-CE 3.2Å; E175-K216 IonicContact OE1-NZ 2.72Å; E175-K216 PolarHBondContact OE1-NZ 2.93Å; Q179-K216 HydrophobicContact CB-CD 4.1Å; L212-K216 PolarHBondContact O-N 3.1Å; F213-K216 PolarHBondContact O-N 3.09Å; F213-K216 VanDerWaalsContact O-N 3.13Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.84Å; K216-E219 WeakPolarHBondContact CE-OE1 3.41Å; K216-E219 WeakPolarHBondContact CE-OE2 3.45Å; K216-E219 VanDerWaalsContact NZ-CD 3.33Å; K216-E219 IonicContact NZ-OE1 3.07Å; K216-E219 PolarHBondContact NZ-OE1 3.33Å; K216-E219 VanDerWaalsContact NZ-OE1 3.12Å; K216-E219 IonicContact NZ-OE2 3.46Å; K216-E219 PolarHBondContact NZ-OE2 3.39Å; K216-E219 PolarHBondContact O-N 2.8Å; K216-A220 PolarHBondContact O-N 3.1Å
217	C	98.8	Very high	97.9	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-42.2	170.6	-66.4	0	0	0	0	112.8	A199 F213 L214 A220 A221 F229	A199-C217 HydrophobicContact CB-CB 4.01Å; F213-C217 WeakPolarHBondContact CZ-SG 3.37Å; F213-C217 PolarHBondContact O-N 2.88Å; F213-C217 PolarHBondContact O-SG 2.81Å; L214-C217 PolarHBondContact O-N 3.41Å; C217-A220 PolarHBondContact O-N 3.31Å; C217-A221 WeakPolarHBondContact O-CB 3.2Å; C217-A221 PolarHBondContact O-N 3.12Å; C217-F229 HydrophobicContact CB-CE2 3.96Å; C217-F229 HydrophobicContact CB-CZ 3.76Å
218	R	98.8	Very high	98	Very high	111 Å²	111	60.4 Å²	60.4	42%	0.419	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-45.2	176.2	-69.3	166.4	-177.1	168.5	1.3	111.9	L214 R215 A220 A221 E222 F229 E231	L214-R218 WeakPolarHBondContact O-CG 3.47Å; L214-R218 PolarHBondContact O-N 3.06Å; R215-R218 WeakPolarHBondContact O-CB 3.39Å; R215-R218 PolarHBondContact O-N 3.11Å; R218-A220 VanDerWaalsContact C-N 3.31Å; R218-A220 PolarHBondContact O-N 2.82Å; R218-A221 WeakPolarHBondContact O-CB 3.38Å; R218-A221 PolarHBondContact O-N 3.17Å; R218-A221 VanDerWaalsContact O-N 3.16Å; R218-E222 PolarHBondContact O-N 3Å; R218-F229 HydrophobicContact CG-CE1 3.93Å; R218-F229 HydrophobicContact CG-CZ 4.47Å; R218-E231 VanDerWaalsContact CG-OE1 3.25Å; R218-E231 WeakPolarHBondContact CG-OE1 3.47Å; R218-E231 IonicContact CZ-OE1 3.56Å; R218-E231 IonicContact CZ-OE2 2.79Å; R218-E231 IonicContact NE-OE1 3.57Å; R218-E231 PolarHBondContact NE-OE1 3.34Å; R218-E231 IonicContact NE-OE2 3.62Å; R218-E231 IonicContact NH2-OE1 2.72Å; R218-E231 PolarHBondContact NH2-OE1 2.87Å; R218-E231 IonicContact NH2-OE2 3.68Å; R218-E231 PolarHBondContact NH2-OE2 3.4Å
219	E	98.6	Very high	98	Very high	70 Å²	70	55 Å²	55	33%	0.327	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-40.6	175.6	-71.9	170.2	-149.1	0	0	111.7	R215 K216 E222	R215-E219 WeakPolarHBondContact O-CG 3.31Å; R215-E219 PolarHBondContact O-N 3.25Å; K216-E219 WeakPolarHBondContact CE-OE1 3.41Å; K216-E219 WeakPolarHBondContact CE-OE2 3.45Å; K216-E219 VanDerWaalsContact NZ-CD 3.33Å; K216-E219 IonicContact NZ-OE1 3.07Å; K216-E219 PolarHBondContact NZ-OE1 3.33Å; K216-E219 VanDerWaalsContact NZ-OE1 3.12Å; K216-E219 IonicContact NZ-OE2 3.46Å; K216-E219 PolarHBondContact NZ-OE2 3.39Å; K216-E219 PolarHBondContact O-N 2.8Å; E219-E222 PolarHBondContact O-N 3.15Å
220	A	98.4	Very high	98	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-44.2	173.2	0	0	0	0	0	111.5	A182 E183 F186 K216 C217 R218 E222 K223 H224	A182-A220 HydrophobicContact CB-CB 3.88Å; E183-A220 HydrophobicContact CG-CB 4.34Å; F186-A220 HydrophobicContact CD2-CB 3.69Å; F186-A220 HydrophobicContact CE2-CB 3.83Å; K216-A220 PolarHBondContact O-N 3.1Å; C217-A220 PolarHBondContact O-N 3.31Å; R218-A220 VanDerWaalsContact C-N 3.31Å; R218-A220 PolarHBondContact O-N 2.82Å; A220-E222 PolarHBondContact O-N 2.78Å; A220-K223 WeakPolarHBondContact O-CB 3.34Å; A220-K223 PolarHBondContact O-N 3.29Å; A220-H224 PolarHBondContact O-CD2 3.37Å; A220-H224 VanDerWaalsContact O-CD2 3.25Å; A220-H224 PolarHBondContact O-N 2.71Å
221	A	98.4	Very high	98	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-31.5	176.4	0	0	0	0	0	112.8	F186 C217 R218 K223 H224 F229	F186-A221 HydrophobicContact CE1-CB 4.19Å; F186-A221 HydrophobicContact CE2-CB 4.18Å; F186-A221 HydrophobicContact CZ-CB 3.54Å; C217-A221 WeakPolarHBondContact O-CB 3.2Å; C217-A221 PolarHBondContact O-N 3.12Å; R218-A221 WeakPolarHBondContact O-CB 3.38Å; R218-A221 PolarHBondContact O-N 3.17Å; R218-A221 VanDerWaalsContact O-N 3.16Å; A221-K223 VanDerWaalsContact C-N 3.29Å; A221-K223 PolarHBondContact O-N 3.5Å; A221-H224 CarbonylContact O-C 3.59Å; A221-H224 PolarHBondContact O-N 3.22Å; A221-F229 HydrophobicContact CB-CB 3.75Å; A221-F229 HydrophobicContact CB-CD1 3.72Å; A221-F229 HydrophobicContact CB-CD2 4.16Å; A221-F229 HydrophobicContact CB-CE1 4.35Å; A221-F229 HydrophobicContact CB-CG 3.6Å
222	E	98	Very high	98	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	27%	0.271	S	S	*	.	H	α-helix	trans	-65	-31.9	174.3	-72.8	177.8	176.7	0	0	113.6	R218 E219 A220 K225	R218-E222 PolarHBondContact O-N 3Å; E219-E222 PolarHBondContact O-N 3.15Å; A220-E222 PolarHBondContact O-N 2.78Å; E222-K225 VanDerWaalsContact O-CE 3.25Å; E222-K225 WeakPolarHBondContact O-CE 3.39Å
223	K	97.4	Very high	98	Very high	123 Å²	123	63.1 Å²	63.1	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-79.9	-19.8	176.4	-57.3	175.5	-168.7	175.5	0	112.8	E183 A220 A221	E183-K223 IonicContact OE1-NZ 3.12Å; E183-K223 PolarHBondContact OE1-NZ 3.22Å; A220-K223 WeakPolarHBondContact O-CB 3.34Å; A220-K223 PolarHBondContact O-N 3.29Å; A221-K223 VanDerWaalsContact C-N 3.29Å; A221-K223 PolarHBondContact O-N 3.5Å
224	H	96.9	Very high	98	Very high	30 Å²	30	64.3 Å²	64.3	14%	0.139	29%	0.289	C	S	.	.			trans	-123.7	59.7	-172.6	-64.4	-81.4	0	0	0	112.4	F186 A220 A221 D226 I227	F186-H224 HydrophobicContact CB-CB 4.03Å; F186-H224 VanDerWaalsContact CB-CD2 3.49Å; F186-H224 WeakPolarHBondContact CB-CD2 3.48Å; F186-H224 HydrophobicContact CD1-CB 3.57Å; F186-H224 HydrophobicContact CE1-CB 4.27Å; F186-H224 HydrophobicContact CG-CB 3.96Å; F186-H224 AromaticContact CG-CD2 3.92Å; A220-H224 PolarHBondContact O-CD2 3.37Å; A220-H224 VanDerWaalsContact O-CD2 3.25Å; A220-H224 PolarHBondContact O-N 2.71Å; A221-H224 CarbonylContact O-C 3.59Å; A221-H224 PolarHBondContact O-N 3.22Å; H224-D226 PolarHBondContact O-N 3.12Å; H224-D226 VanDerWaalsContact O-N 3.11Å; H224-I227 PolarHBondContact O-N 2.97Å; H224-I227 VanDerWaalsContact O-N 3.11Å
225	K	94.6	Very high	97.9	Very high	162 Å²	162	68.1 Å²	68.1	70%	0.704	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.7	-177.5	-60.9	-60.1	-172.1	-175	0	114.7	E222 I227	E222-K225 VanDerWaalsContact O-CE 3.25Å; E222-K225 WeakPolarHBondContact O-CE 3.39Å; K225-I227 VanDerWaalsContact C-N 3.31Å
226	D	95.2	Very high	97.8	Very high	95 Å²	95	64.8 Å²	64.8	51%	0.508	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.6	175	52.3	-39.4	0	0	0	113.7	K190 H224	K190-D226 IonicContact NZ-OD1 3.8Å; K190-D226 IonicContact NZ-OD2 2.81Å; K190-D226 PolarHBondContact NZ-OD2 3.25Å; H224-D226 PolarHBondContact O-N 3.12Å; H224-D226 VanDerWaalsContact O-N 3.11Å
227	I	98.3	Very high	97.8	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.067	30%	0.3	C	S	.	.	S	Bend	trans	-108.9	128.3	179.1	-58.1	-62.2	0	0	0	109.5	F186 A189 R194 V197 H224 K225 F229	F186-I227 HydrophobicContact CD1-CB 3.83Å; F186-I227 HydrophobicContact CD1-CG1 4.28Å; F186-I227 HydrophobicContact CD1-CG2 3.82Å; F186-I227 HydrophobicContact CE1-CB 4.03Å; F186-I227 HydrophobicContact CE1-CG2 3.87Å; A189-I227 HydrophobicContact CB-CD1 4.13Å; A189-I227 HydrophobicContact CB-CG1 4.44Å; A189-I227 HydrophobicContact CB-CG2 4.3Å; R194-I227 WeakPolarHBondContact O-CD1 3.3Å; V197-I227 HydrophobicContact CB-CG2 4.17Å; V197-I227 HydrophobicContact CG2-CG2 3.73Å; H224-I227 PolarHBondContact O-N 2.97Å; H224-I227 VanDerWaalsContact O-N 3.11Å; K225-I227 VanDerWaalsContact C-N 3.31Å; I227-F229 PolarHBondContact O-N 3.49Å
228	K	98.4	Very high	97.7	Very high	144 Å²	144	65.7 Å²	65.7	63%	0.626	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	123	175.6	178	-174.9	175.2	-170.8	0	109.4	S195 S196 V197	S195-K228 PolarHBondContact O-N 3.46Å; S196-K228 CarbonylContact C-O 3.46Å; S196-K228 WeakPolarHBondContact CA-O 3.24Å; S196-K228 WeakPolarHBondContact CB-O 3.13Å; V197-K228 PolarHBondContact N-O 3.26Å
229	F	98.7	Very high	97.7	Very high	52 Å²	52	64.9 Å²	64.9	23%	0.228	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	176.8	179.6	-117.5	0	0	0	111.6	F186 V197 A199 C217 R218 A221 I227 E231	F186-F229 HydrophobicContact CE1-CB 4.44Å; F186-F229 HydrophobicContact CE1-CD2 4.48Å; F186-F229 HydrophobicContact CE2-CD2 4.33Å; F186-F229 HydrophobicContact CZ-CB 4.17Å; F186-F229 AromaticContact CZ-CD2 3.57Å; F186-F229 HydrophobicContact CZ-CD2 3.57Å; F186-F229 HydrophobicContact CZ-CE2 4.26Å; F186-F229 HydrophobicContact CZ-CG 4.09Å; V197-F229 WeakPolarHBondContact O-CA 3.5Å; V197-F229 WeakPolarHBondContact O-CD2 3.5Å; A199-F229 HydrophobicContact CB-CE2 3.73Å; A199-F229 HydrophobicContact CB-CZ 3.89Å; C217-F229 HydrophobicContact CB-CE2 3.96Å; C217-F229 HydrophobicContact CB-CZ 3.76Å; R218-F229 HydrophobicContact CG-CE1 3.93Å; R218-F229 HydrophobicContact CG-CZ 4.47Å; A221-F229 HydrophobicContact CB-CB 3.75Å; A221-F229 HydrophobicContact CB-CD1 3.72Å; A221-F229 HydrophobicContact CB-CD2 4.16Å; A221-F229 HydrophobicContact CB-CE1 4.35Å; A221-F229 HydrophobicContact CB-CG 3.6Å; I227-F229 PolarHBondContact O-N 3.49Å; F229-E231 HydrophobicContact CE1-CG 3.69Å; F229-E231 VanDerWaalsContact CE1-OE1 3.29Å; F229-E231 WeakPolarHBondContact CE1-OE1 3.21Å; F229-E231 HydrophobicContact CZ-CG 3.64Å
230	T	98.3	Very high	97.6	Very high	44 Å²	44	63.3 Å²	63.3	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.8	175.7	-47.3	0	0	0	0	110	V197 T198 A199 M232	V197-T230 PolarHBondContact O-N 3.17Å; T198-T230 CarbonylContact C-O 3.45Å; T198-T230 VanDerWaalsContact CA-O 3.26Å; T198-T230 WeakPolarHBondContact CA-O 3.49Å; A199-T230 PolarHBondContact N-O 3.37Å; T230-M232 HydrophobicContact CG2-CG 4.12Å
231	E	98.3	Very high	97.5	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.9	173.5	-65.9	172.8	-164.4	0	0	108.7	L214 R218 F229	L214-E231 HydrophobicContact CD2-CG 4.4Å; L214-E231 VanDerWaalsContact CD2-OE2 3.23Å; L214-E231 WeakPolarHBondContact CD2-OE2 3.27Å; L214-E231 HydrophobicContact CG-CG 4.48Å; R218-E231 VanDerWaalsContact CG-OE1 3.25Å; R218-E231 WeakPolarHBondContact CG-OE1 3.47Å; R218-E231 IonicContact CZ-OE1 3.56Å; R218-E231 IonicContact CZ-OE2 2.79Å; R218-E231 IonicContact NE-OE1 3.57Å; R218-E231 PolarHBondContact NE-OE1 3.34Å; R218-E231 IonicContact NE-OE2 3.62Å; R218-E231 IonicContact NH2-OE1 2.72Å; R218-E231 PolarHBondContact NH2-OE1 2.87Å; R218-E231 IonicContact NH2-OE2 3.68Å; R218-E231 PolarHBondContact NH2-OE2 3.4Å; F229-E231 HydrophobicContact CE1-CG 3.69Å; F229-E231 VanDerWaalsContact CE1-OE1 3.29Å; F229-E231 WeakPolarHBondContact CE1-OE1 3.21Å; F229-E231 HydrophobicContact CZ-CG 3.64Å
232	M	98.4	Very high	97.3	Very high	33 Å²	33	65.5 Å²	65.5	16%	0.163	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.2	-179.7	-66.6	-174.2	70	0	0	112	T198 A199 V200 H201 T230 T236 V237 F248	T198-M232 HydrophobicContact CG2-CB 4.03Å; T198-M232 HydrophobicContact CG2-CG 3.86Å; T198-M232 HydrophobicContact CG2-SD 4.02Å; A199-M232 PolarHBondContact O-N 3.4Å; V200-M232 WeakPolarHBondContact CA-O 3.43Å; H201-M232 PolarHBondContact CD2-O 2.94Å; H201-M232 PolarHBondContact N-O 2.88Å; H201-M232 VanDerWaalsContact N-O 3.08Å; T230-M232 HydrophobicContact CG2-CG 4.12Å; M232-T236 HydrophobicContact CE-CG2 3.77Å; M232-V237 HydrophobicContact CB-CG2 3.48Å; M232-V237 VanDerWaalsContact CB-CG2 3.48Å; M232-V237 HydrophobicContact CE-CG2 4.27Å; M232-V237 HydrophobicContact CG-CG2 4.45Å; M232-V237 HydrophobicContact SD-CG2 4.28Å; M232-F248 HydrophobicContact CE-CE1 4.29Å; M232-F248 HydrophobicContact CE-CZ 4.4Å; M232-F248 HydrophobicContact SD-CE1 3.81Å; M232-F248 HydrophobicContact SD-CZ 4.48Å
233	Y	98.4	Very high	97.2	Very high	101 Å²	101	65.6 Å²	65.6	40%	0.396	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.2	173.8	-58.7	-54	0	0	0	111.4	H201 N204 D235 T236 V237	H201-Y233 AromaticContact CE1-CD1 3.63Å; H201-Y233 AromaticContact CE1-CE1 3.48Å; H201-Y233 VanDerWaalsContact CE1-CE1 3.48Å; H201-Y233 WeakPolarHBondContact CE1-CE1 3.38Å; H201-Y233 AromaticContact NE2-CD1 3.97Å; H201-Y233 CarbonylContact O-C 3.32Å; H201-Y233 WeakPolarHBondContact O-CA 3.47Å; N204-Y233 HydrophobicContact CB-CE1 3.97Å; Y233-D235 VanDerWaalsContact C-N 3.31Å; Y233-D235 WeakPolarHBondContact CB-OD1 3.36Å; Y233-D235 PolarHBondContact O-N 3.3Å; Y233-T236 WeakPolarHBondContact O-CB 3.35Å; Y233-T236 PolarHBondContact O-N 3.27Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.24Å
234	L	97.6	Very high	97.1	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-50	-48.3	-179.2	173.5	63	0	0	0	113.2	V200 H201 V237 C238 Y257 L261	V200-L234 HydrophobicContact CG1-CB 4.13Å; V200-L234 HydrophobicContact CG1-CD1 4.07Å; H201-L234 PolarHBondContact O-N 2.62Å; L234-V237 PolarHBondContact O-N 2.79Å; L234-C238 PolarHBondContact O-N 3.45Å; L234-C238 PolarHBondContact O-SG 3.29Å; L234-Y257 HydrophobicContact CD1-CG 4.3Å; L234-Y257 HydrophobicContact CD2-CD1 3.53Å; L234-Y257 HydrophobicContact CD2-CE1 3.91Å; L234-Y257 HydrophobicContact CD2-CG 3.94Å; L234-L261 HydrophobicContact CD1-CD1 3.64Å; L234-L261 HydrophobicContact CD1-CD2 4.46Å; L234-L261 HydrophobicContact CD1-CG 3.85Å
235	D	96.9	Very high	97.1	Very high	84 Å²	84	62.1 Å²	62.1	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-40.7	178.8	52.7	-20.5	0	0	0	112.7	K202 Y233 V237 C238 L239	K202-D235 IonicContact NZ-OD1 2.69Å; K202-D235 PolarHBondContact NZ-OD1 3.07Å; K202-D235 IonicContact NZ-OD2 2.63Å; K202-D235 PolarHBondContact NZ-OD2 3.5Å; Y233-D235 VanDerWaalsContact C-N 3.31Å; Y233-D235 WeakPolarHBondContact CB-OD1 3.36Å; Y233-D235 PolarHBondContact O-N 3.3Å; D235-V237 VanDerWaalsContact C-N 3.34Å; D235-C238 PolarHBondContact O-N 2.6Å; D235-L239 WeakPolarHBondContact O-CB 3.41Å; D235-L239 PolarHBondContact O-N 2.98Å
236	T	97.4	Very high	97	Very high	51 Å²	51	58 Å²	58	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-41.8	173.2	-51.8	0	0	0	0	111.2	M232 Y233 L239 N240	M232-T236 HydrophobicContact CE-CG2 3.77Å; Y233-T236 WeakPolarHBondContact O-CB 3.35Å; Y233-T236 PolarHBondContact O-N 3.27Å; T236-L239 PolarHBondContact O-N 2.97Å; T236-N240 VanDerWaalsContact O-CB 3.26Å; T236-N240 WeakPolarHBondContact O-CB 3.32Å; T236-N240 VanDerWaalsContact O-CG 3.31Å; T236-N240 PolarHBondContact O-N 3.44Å; T236-N240 PolarHBondContact O-OD1 3.22Å
237	V	97.9	Very high	97	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-48.2	175.4	176.1	0	0	0	0	110.4	V200 M232 Y233 L234 D235 L239 N240 M241 F248 L251 L261	V200-V237 HydrophobicContact CG1-CB 4.27Å; V200-V237 HydrophobicContact CG1-CG2 3.94Å; V200-V237 HydrophobicContact CG2-CG1 4.48Å; V200-V237 HydrophobicContact CG2-CG2 4.07Å; M232-V237 HydrophobicContact CB-CG2 3.48Å; M232-V237 VanDerWaalsContact CB-CG2 3.48Å; M232-V237 HydrophobicContact CE-CG2 4.27Å; M232-V237 HydrophobicContact CG-CG2 4.45Å; M232-V237 HydrophobicContact SD-CG2 4.28Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.24Å; L234-V237 PolarHBondContact O-N 2.79Å; D235-V237 VanDerWaalsContact C-N 3.34Å; V237-L239 VanDerWaalsContact C-N 3.33Å; V237-L239 PolarHBondContact O-N 3Å; V237-N240 PolarHBondContact O-N 2.74Å; V237-M241 HydrophobicContact CG1-CE 4.21Å; V237-M241 WeakPolarHBondContact O-CB 3.37Å; V237-M241 PolarHBondContact O-N 3.08Å; V237-F248 HydrophobicContact CG1-CE1 4.25Å; V237-F248 HydrophobicContact CG1-CZ 4.14Å; V237-F248 HydrophobicContact CG2-CE1 4.41Å; V237-L251 HydrophobicContact CG1-CD2 4.4Å; V237-L261 HydrophobicContact CB-CD1 4.48Å; V237-L261 HydrophobicContact CG1-CD1 3.87Å; V237-L261 HydrophobicContact CG1-CD2 3.94Å
238	C	97.4	Very high	97	Very high	32 Å²	32	57.5 Å²	57.5	22%	0.216	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-46.3	177.5	-68.6	0	0	0	0	112.2	L234 D235 V242 L261 L264	L234-C238 PolarHBondContact O-N 3.45Å; L234-C238 PolarHBondContact O-SG 3.29Å; D235-C238 PolarHBondContact O-N 2.6Å; C238-V242 PolarHBondContact O-N 3.38Å; C238-L261 VanDerWaalsContact SG-CD2 3.58Å; C238-L264 HydrophobicContact CB-CD1 4.34Å
239	L	97.3	Very high	97	Very high	95 Å²	95	51.4 Å²	51.4	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-50.5	178.6	178.3	65.3	0	0	0	111.8	D235 T236 V237 M241 V242 Q243	D235-L239 WeakPolarHBondContact O-CB 3.41Å; D235-L239 PolarHBondContact O-N 2.98Å; T236-L239 PolarHBondContact O-N 2.97Å; V237-L239 VanDerWaalsContact C-N 3.33Å; V237-L239 PolarHBondContact O-N 3Å; L239-M241 VanDerWaalsContact C-N 3.32Å; L239-M241 PolarHBondContact O-N 3.4Å; L239-V242 WeakPolarHBondContact O-CG2 3.28Å; L239-V242 PolarHBondContact O-N 3.4Å; L239-Q243 WeakPolarHBondContact O-CG 3.35Å; L239-Q243 PolarHBondContact O-N 2.56Å
240	N	97.2	Very high	97	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-35.8	-177.7	-77.6	23	0	0	0	111.8	T236 V237 V242 Q243 D244 Q247 F248	T236-N240 VanDerWaalsContact O-CB 3.26Å; T236-N240 WeakPolarHBondContact O-CB 3.32Å; T236-N240 VanDerWaalsContact O-CG 3.31Å; T236-N240 PolarHBondContact O-N 3.44Å; T236-N240 PolarHBondContact O-OD1 3.22Å; V237-N240 PolarHBondContact O-N 2.74Å; N240-V242 PolarHBondContact O-N 3.08Å; N240-Q243 PolarHBondContact O-N 2.91Å; N240-D244 CarbonylContact O-C 3.32Å; N240-D244 PolarHBondContact O-N 2.86Å; N240-Q247 PolarHBondContact ND2-OE1 3.39Å; N240-Q247 VanDerWaalsContact ND2-OE1 3.1Å; N240-Q247 PolarHBondContact O-NE2 2.93Å; N240-F248 HydrophobicContact CB-CE2 4.09Å; N240-F248 HydrophobicContact CB-CZ 3.82Å
241	M	96.5	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-40	-179.3	-176	68.8	72.5	0	0	112.3	L144 V237 L239 Q243 P245 F248 L251 L264 L268	L144-M241 HydrophobicContact CD2-CE 3.8Å; L144-M241 HydrophobicContact CD2-SD 3.39Å; L144-M241 WeakPolarHBondContact CD2-SD 3.35Å; V237-M241 HydrophobicContact CG1-CE 4.21Å; V237-M241 WeakPolarHBondContact O-CB 3.37Å; V237-M241 PolarHBondContact O-N 3.08Å; L239-M241 VanDerWaalsContact C-N 3.32Å; L239-M241 PolarHBondContact O-N 3.4Å; M241-Q243 VanDerWaalsContact C-N 3.33Å; M241-P245 WeakPolarHBondContact O-CD 3.36Å; M241-P245 HydrophobicContact SD-CB 3.87Å; M241-F248 HydrophobicContact CB-CE2 4.07Å; M241-F248 HydrophobicContact CE-CB 4.35Å; M241-F248 HydrophobicContact CE-CD2 3.5Å; M241-F248 VanDerWaalsContact CE-CD2 3.5Å; M241-F248 HydrophobicContact CE-CE2 3.9Å; M241-F248 HydrophobicContact CE-CG 3.91Å; M241-F248 HydrophobicContact SD-CD2 3.7Å; M241-F248 HydrophobicContact SD-CE2 4.12Å; M241-L251 HydrophobicContact CE-CD1 3.5Å; M241-L251 VanDerWaalsContact CE-CD1 3.5Å; M241-L264 HydrophobicContact CB-CD2 4.16Å; M241-L264 HydrophobicContact CG-CD2 3.4Å; M241-L268 HydrophobicContact CG-CD1 3.89Å; M241-L268 HydrophobicContact SD-CD1 3.92Å
242	V	95.2	Very high	97	Very high	60 Å²	60	43.9 Å²	43.9	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-79.6	-17.3	177	-59.5	0	0	0	0	113	Y139 C238 L239 N240 L264	Y139-V242 VanDerWaalsContact CE1-O 3.25Å; Y139-V242 WeakPolarHBondContact CE1-O 3.43Å; Y139-V242 PolarHBondContact OH-O 3.09Å; C238-V242 PolarHBondContact O-N 3.38Å; L239-V242 WeakPolarHBondContact O-CG2 3.28Å; L239-V242 PolarHBondContact O-N 3.4Å; N240-V242 PolarHBondContact O-N 3.08Å; V242-L264 HydrophobicContact CG1-CD1 4.24Å; V242-L264 HydrophobicContact CG1-CD2 4.17Å; V242-L264 HydrophobicContact CG1-CG 4.43Å
243	Q	95.5	Very high	97	Very high	134 Å²	134	42.3 Å²	42.3	63%	0.626	22%	0.224	S	C	*	.	H	α-helix	trans	-87	-49.5	177	-74.1	179	-24.1	0	0	112	L239 N240 M241	L239-Q243 WeakPolarHBondContact O-CG 3.35Å; L239-Q243 PolarHBondContact O-N 2.56Å; N240-Q243 PolarHBondContact O-N 2.91Å; M241-Q243 VanDerWaalsContact C-N 3.33Å
244	D	95.4	Very high	97	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	21%	0.205	S	C	.	.			trans	-152.6	93.4	-179.9	178.3	11.5	0	0	0	110	N240 S246 Q247	N240-D244 CarbonylContact O-C 3.32Å; N240-D244 PolarHBondContact O-N 2.86Å; D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 VanDerWaalsContact OD1-CB 3.31Å; D244-S246 WeakPolarHBondContact OD1-CB 3.18Å; D244-S246 PolarHBondContact OD1-N 3.39Å; D244-S246 PolarHBondContact OD1-OG 2.96Å; D244-S246 PolarHBondContact OD2-OG 3.5Å; D244-Q247 WeakPolarHBondContact O-CG 3.47Å; D244-Q247 PolarHBondContact O-NE2 2.89Å
245	P	95.4	Very high	96.9	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.039	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70.6	-15.6	178.8	27.6	-33.9	0	0	0	113.8	Y139 V142 L144 M241 Q247 F248 L268	Y139-P245 HydrophobicContact CD1-CG 3.92Å; V142-P245 HydrophobicContact CG1-CB 4.33Å; V142-P245 HydrophobicContact CG2-CB 4.36Å; V142-P245 HydrophobicContact CG2-CG 3.77Å; L144-P245 HydrophobicContact CD2-CB 4.29Å; M241-P245 WeakPolarHBondContact O-CD 3.36Å; M241-P245 HydrophobicContact SD-CB 3.87Å; P245-Q247 PolarHBondContact O-N 2.85Å; P245-F248 PolarHBondContact O-N 3.49Å; P245-L268 HydrophobicContact CB-CD1 3.83Å; P245-L268 HydrophobicContact CG-CD1 4.28Å
246	S	94.3	Very high	96.9	Very high	77 Å²	77	34.8 Å²	34.8	54%	0.538	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-67.8	-16.5	-176.6	76.7	0	0	0	0	113.5	D244 F248	D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 VanDerWaalsContact OD1-CB 3.31Å; D244-S246 WeakPolarHBondContact OD1-CB 3.18Å; D244-S246 PolarHBondContact OD1-N 3.39Å; D244-S246 PolarHBondContact OD1-OG 2.96Å; D244-S246 PolarHBondContact OD2-OG 3.5Å; S246-F248 PolarHBondContact O-N 3.13Å
247	Q	94.5	Very high	96.9	Very high	87 Å²	87	32.8 Å²	32.8	41%	0.407	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-71.4	-13.2	176	77.3	-170.1	-88.8	0	0	113.7	N240 D244 P245	N240-Q247 PolarHBondContact ND2-OE1 3.39Å; N240-Q247 VanDerWaalsContact ND2-OE1 3.1Å; N240-Q247 PolarHBondContact O-NE2 2.93Å; D244-Q247 WeakPolarHBondContact O-CG 3.47Å; D244-Q247 PolarHBondContact O-NE2 2.89Å; P245-Q247 PolarHBondContact O-N 2.85Å
248	F	97.3	Very high	96.8	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.039	18%	0.177	C	C	.	.			trans	-105.5	143.9	-175.4	-60.4	-70.5	0	0	0	112.2	L144 M232 V237 N240 M241 P245 S246 L251	L144-F248 HydrophobicContact CB-CB 4.27Å; L144-F248 HydrophobicContact CD2-CB 4.24Å; M232-F248 HydrophobicContact CE-CE1 4.29Å; M232-F248 HydrophobicContact CE-CZ 4.4Å; M232-F248 HydrophobicContact SD-CE1 3.81Å; M232-F248 HydrophobicContact SD-CZ 4.48Å; V237-F248 HydrophobicContact CG1-CE1 4.25Å; V237-F248 HydrophobicContact CG1-CZ 4.14Å; V237-F248 HydrophobicContact CG2-CE1 4.41Å; N240-F248 HydrophobicContact CB-CE2 4.09Å; N240-F248 HydrophobicContact CB-CZ 3.82Å; M241-F248 HydrophobicContact CB-CE2 4.07Å; M241-F248 HydrophobicContact CE-CB 4.35Å; M241-F248 HydrophobicContact CE-CD2 3.5Å; M241-F248 VanDerWaalsContact CE-CD2 3.5Å; M241-F248 HydrophobicContact CE-CE2 3.9Å; M241-F248 HydrophobicContact CE-CG 3.91Å; M241-F248 HydrophobicContact SD-CD2 3.7Å; M241-F248 HydrophobicContact SD-CE2 4.12Å; P245-F248 PolarHBondContact O-N 3.49Å; S246-F248 PolarHBondContact O-N 3.13Å; F248-L251 HydrophobicContact CB-CD1 4.2Å; F248-L251 HydrophobicContact CD1-CD1 4.41Å; F248-L251 HydrophobicContact CD1-CD2 3.85Å; F248-L251 HydrophobicContact CD1-CG 4.46Å; F248-L251 HydrophobicContact CE1-CD2 4.34Å; F248-L251 HydrophobicContact CG-CD1 4.33Å
249	D	97.9	Very high	96.6	Very high	16 Å²	16	33.4 Å²	33.4	9%	0.086	18%	0.178	C	C	.	.	S	Bend	trans	-119.9	-92.7	176.9	-167	0.3	0	0	0	109.5	L144 V145 R194 S195 S196	L144-D249 CarbonylContact C-O 3.57Å; L144-D249 VanDerWaalsContact CA-O 3.24Å; L144-D249 WeakPolarHBondContact CA-O 3.44Å; L144-D249 WeakPolarHBondContact CB-O 3.1Å; V145-D249 PolarHBondContact N-O 2.94Å; R194-D249 WeakPolarHBondContact CB-OD1 3.36Å; R194-D249 WeakPolarHBondContact CB-OD2 3.46Å; R194-D249 WeakPolarHBondContact CD-OD1 3.25Å; R194-D249 WeakPolarHBondContact CG-OD1 3.24Å; R194-D249 IonicContact CZ-OD1 2.83Å; R194-D249 IonicContact NE-OD1 4Å; R194-D249 IonicContact NH1-OD1 3.42Å; R194-D249 PolarHBondContact NH1-OD1 3.03Å; S195-D249 PolarHBondContact N-OD2 2.79Å; S195-D249 PolarHBondContact OG-OD2 2.92Å; S196-D249 PolarHBondContact N-OD2 3.27Å; S196-D249 VanDerWaalsContact N-OD2 3.17Å; S196-D249 WeakPolarHBondContact OG-CB 3.37Å
250	V	98.7	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.5	172.4	-177.8	0	0	0	0	110.3	V145 I147 Y188 A189 R194 S196 V197 T198	V145-V250 CarbonylContact O-C 3.51Å; V145-V250 WeakPolarHBondContact O-CA 3.41Å; I147-V250 HydrophobicContact CD1-CG1 3.53Å; I147-V250 HydrophobicContact CG1-CG1 4.11Å; Y188-V250 HydrophobicContact CD1-CG2 4.22Å; Y188-V250 HydrophobicContact CE1-CG2 4.44Å; A189-V250 HydrophobicContact CB-CG2 4.08Å; R194-V250 HydrophobicContact CB-CG2 3.81Å; R194-V250 HydrophobicContact CG-CG2 3.74Å; S196-V250 WeakPolarHBondContact O-CB 3.23Å; S196-V250 PolarHBondContact O-N 2.7Å; S196-V250 VanDerWaalsContact O-N 3.15Å; V197-V250 CarbonylContact C-O 3.49Å; V197-V250 VanDerWaalsContact CA-O 3.32Å; V197-V250 WeakPolarHBondContact CA-O 3.4Å; V197-V250 HydrophobicContact CG2-CB 4.01Å; V197-V250 HydrophobicContact CG2-CG1 4.15Å; T198-V250 PolarHBondContact N-O 3.32Å
251	L	98.8	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.7	176.1	-69.3	156.3	0	0	0	109.6	L144 V145 T146 I147 T198 V200 V237 M241 F248 M253	L144-L251 HydrophobicContact CD1-CD1 4.35Å; V145-L251 PolarHBondContact O-N 3.11Å; T146-L251 HydrophobicContact CG2-CB 4.45Å; T146-L251 HydrophobicContact CG2-CD1 4.27Å; I147-L251 PolarHBondContact N-O 2.89Å; T198-L251 HydrophobicContact CG2-CD2 3.87Å; T198-L251 WeakPolarHBondContact O-CA 3.3Å; V200-L251 HydrophobicContact CG2-CB 4.35Å; V200-L251 HydrophobicContact CG2-CD2 3.58Å; V237-L251 HydrophobicContact CG1-CD2 4.4Å; M241-L251 HydrophobicContact CE-CD1 3.5Å; M241-L251 VanDerWaalsContact CE-CD1 3.5Å; F248-L251 HydrophobicContact CB-CD1 4.2Å; F248-L251 HydrophobicContact CD1-CD1 4.41Å; F248-L251 HydrophobicContact CD1-CD2 3.85Å; F248-L251 HydrophobicContact CD1-CG 4.46Å; F248-L251 HydrophobicContact CE1-CD2 4.34Å; F248-L251 HydrophobicContact CG-CD1 4.33Å; L251-M253 HydrophobicContact CB-CE 3.45Å; L251-M253 VanDerWaalsContact CB-CE 3.45Å
252	V	98.8	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.2	176	63.9	0	0	0	0	110.8	I147 I181 A185 V197 T198 A199 V200 F213	I147-V252 HydrophobicContact CG2-CG2 4.34Å; I147-V252 WeakPolarHBondContact O-CA 3.26Å; I181-V252 HydrophobicContact CG1-CG2 4.07Å; A185-V252 HydrophobicContact CB-CB 3.68Å; A185-V252 HydrophobicContact CB-CG1 4.24Å; A185-V252 HydrophobicContact CB-CG2 3.74Å; V197-V252 HydrophobicContact CG1-CB 4.45Å; V197-V252 HydrophobicContact CG1-CG1 3.73Å; T198-V252 PolarHBondContact O-N 2.99Å; A199-V252 WeakPolarHBondContact CA-O 3.4Å; A199-V252 HydrophobicContact CB-CG1 4.15Å; V200-V252 PolarHBondContact N-O 3.41Å; F213-V252 HydrophobicContact CE2-CG2 4.5Å; F213-V252 HydrophobicContact CZ-CG1 4.45Å; F213-V252 HydrophobicContact CZ-CG2 4.26Å
253	M	98.6	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.7	-172.7	65.3	-160	85.5	0	0	115.1	T146 I147 E149 V200 L251 Y257 G258 L261	T146-M253 HydrophobicContact CG2-CE 4.18Å; I147-M253 PolarHBondContact O-N 2.67Å; E149-M253 PolarHBondContact N-O 2.97Å; V200-M253 HydrophobicContact CB-CB 3.92Å; V200-M253 HydrophobicContact CB-SD 4.49Å; V200-M253 HydrophobicContact CG2-CE 4.01Å; L251-M253 HydrophobicContact CB-CE 3.45Å; L251-M253 VanDerWaalsContact CB-CE 3.45Å; M253-Y257 VanDerWaalsContact SD-C 3.51Å; M253-G258 VanDerWaalsContact CG-CA 3.5Å; M253-G258 WeakPolarHBondContact SD-CA 3.13Å; M253-G258 PolarHBondContact SD-N 2.71Å; M253-G258 VanDerWaalsContact SD-N 3.38Å; M253-L261 HydrophobicContact CE-CD1 4.06Å; M253-L261 HydrophobicContact SD-CB 4Å; M253-L261 HydrophobicContact SD-CD1 3.59Å; M253-L261 VanDerWaalsContact SD-CD1 3.59Å; M253-L261 HydrophobicContact SD-CG 4.36Å
254	P	98.2	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.			trans	-60.4	164.6	168.1	-22.8	34.2	0	0	0	113.6	I173 V200 F213 L256 Y257 G258	I173-P254 HydrophobicContact CD1-CB 4.18Å; V200-P254 WeakPolarHBondContact O-CD 3.47Å; F213-P254 HydrophobicContact CB-CG 4.5Å; F213-P254 HydrophobicContact CD1-CG 3.96Å; F213-P254 HydrophobicContact CD2-CG 4.18Å; F213-P254 HydrophobicContact CE1-CG 4.24Å; F213-P254 HydrophobicContact CE2-CG 4.43Å; F213-P254 HydrophobicContact CG-CG 3.95Å; F213-P254 HydrophobicContact CZ-CG 4.47Å; P254-L256 PolarHBondContact O-N 3.22Å; P254-Y257 HydrophobicContact CB-CD2 4.29Å; P254-Y257 HydrophobicContact CB-CE2 4.42Å; P254-Y257 HydrophobicContact CG-CD2 4.11Å; P254-Y257 HydrophobicContact CG-CE2 4.14Å; P254-Y257 PolarHBondContact O-N 3.25Å; P254-G258 PolarHBondContact O-N 3.3Å
255	N	96.5	Very high	96.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-55.2	-56.3	-164.7	-158.8	-27.5	0	0	0	115.5	R148 E149 E152 Y155 Y257 G258 D259	R148-N255 PolarHBondContact NE-O 2.92Å; R148-N255 PolarHBondContact NE-OD1 3.41Å; R148-N255 PolarHBondContact NH2-OD1 2.97Å; E149-N255 WeakPolarHBondContact O-CA 3.47Å; E149-N255 WeakPolarHBondContact O-CB 3.22Å; E149-N255 PolarHBondContact O-ND2 3.5Å; E149-N255 PolarHBondContact O-OD1 3.28Å; E152-N255 WeakPolarHBondContact O-CB 3.46Å; E152-N255 PolarHBondContact O-ND2 2.79Å; Y155-N255 HydrophobicContact CD2-CB 4.21Å; N255-Y257 VanDerWaalsContact C-N 3.31Å; N255-Y257 PolarHBondContact O-N 2.99Å; N255-G258 PolarHBondContact O-N 3.1Å; N255-D259 PolarHBondContact O-N 3.28Å
256	L	95.8	Very high	96.1	Very high	53 Å²	53	23.7 Å²	23.7	28%	0.277	13%	0.128	S	C	.	.	H	α-helix	trans	-62.8	-37.5	-178.1	178.2	61.9	0	0	0	112.8	E154 Y155 P254 G258 D259 I260	E154-L256 HydrophobicContact CB-CB 4.09Å; E154-L256 HydrophobicContact CB-CD2 4.16Å; E154-L256 VanDerWaalsContact CD-CB 3.47Å; E154-L256 HydrophobicContact CG-CB 4.02Å; E154-L256 HydrophobicContact CG-CD2 3.74Å; E154-L256 WeakPolarHBondContact OE2-CB 3.28Å; Y155-L256 HydrophobicContact CD2-CB 4.46Å; Y155-L256 HydrophobicContact CE2-CB 3.91Å; Y155-L256 HydrophobicContact CE2-CD1 3.77Å; Y155-L256 HydrophobicContact CE2-CG 4.44Å; P254-L256 PolarHBondContact O-N 3.22Å; L256-G258 VanDerWaalsContact C-N 3.3Å; L256-G258 PolarHBondContact O-N 2.84Å; L256-D259 WeakPolarHBondContact O-CB 3.46Å; L256-D259 PolarHBondContact O-N 3.13Å; L256-I260 HydrophobicContact CD1-CD1 4.02Å; L256-I260 HydrophobicContact CD1-CG1 4.4Å; L256-I260 HydrophobicContact CG-CD1 4.03Å; L256-I260 WeakPolarHBondContact O-CG1 3.48Å; L256-I260 PolarHBondContact O-N 3.32Å; L256-I260 VanDerWaalsContact O-N 3.15Å
257	Y	97.6	Very high	96	Very high	9 Å²	9	22.5 Å²	22.5	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-38.8	-179.2	-53.4	-15.9	0	0	0	110.3	K171 M206 D210 L234 M253 P254 N255 D259 I260 L261	K171-Y257 PolarHBondContact NZ-OH 3.09Å; M206-Y257 WeakPolarHBondContact CE-OH 3.43Å; D210-Y257 WeakPolarHBondContact OD2-CE2 3.49Å; D210-Y257 PolarHBondContact OD2-OH 2.95Å; L234-Y257 HydrophobicContact CD1-CG 4.3Å; L234-Y257 HydrophobicContact CD2-CD1 3.53Å; L234-Y257 HydrophobicContact CD2-CE1 3.91Å; L234-Y257 HydrophobicContact CD2-CG 3.94Å; M253-Y257 VanDerWaalsContact SD-C 3.51Å; P254-Y257 HydrophobicContact CB-CD2 4.29Å; P254-Y257 HydrophobicContact CB-CE2 4.42Å; P254-Y257 HydrophobicContact CG-CD2 4.11Å; P254-Y257 HydrophobicContact CG-CE2 4.14Å; P254-Y257 PolarHBondContact O-N 3.25Å; N255-Y257 VanDerWaalsContact C-N 3.31Å; N255-Y257 PolarHBondContact O-N 2.99Å; Y257-D259 VanDerWaalsContact C-N 3.33Å; Y257-D259 PolarHBondContact O-N 3.24Å; Y257-I260 PolarHBondContact O-N 3.32Å; Y257-L261 VanDerWaalsContact O-CB 3.31Å; Y257-L261 WeakPolarHBondContact O-CB 3.49Å; Y257-L261 PolarHBondContact O-N 2.82Å
258	G	96.2	Very high	95.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-42.2	173.4	0	0	0	0	0	112.6	M253 P254 N255 L256 S262	M253-G258 VanDerWaalsContact CG-CA 3.5Å; M253-G258 WeakPolarHBondContact SD-CA 3.13Å; M253-G258 PolarHBondContact SD-N 2.71Å; M253-G258 VanDerWaalsContact SD-N 3.38Å; P254-G258 PolarHBondContact O-N 3.3Å; N255-G258 PolarHBondContact O-N 3.1Å; L256-G258 VanDerWaalsContact C-N 3.3Å; L256-G258 PolarHBondContact O-N 2.84Å; G258-S262 WeakPolarHBondContact O-CB 3.41Å; G258-S262 PolarHBondContact O-N 2.88Å; G258-S262 PolarHBondContact O-OG 2.76Å
259	D	93.3	Very high	95.6	Very high	45 Å²	45	18.3 Å²	18.3	24%	0.241	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-55.6	176.1	-151.4	35.7	0	0	0	110.8	R148 Y155 N255 L256 Y257 S262 D263	R148-D259 IonicContact CZ-OD1 3.03Å; R148-D259 VanDerWaalsContact NH1-CG 3.34Å; R148-D259 IonicContact NH1-OD1 2.78Å; R148-D259 PolarHBondContact NH1-OD1 3.45Å; R148-D259 IonicContact NH2-OD1 2.8Å; R148-D259 PolarHBondContact NH2-OD1 3.47Å; R148-D259 IonicContact NH2-OD2 2.86Å; Y155-D259 PolarHBondContact OH-OD2 3.22Å; N255-D259 PolarHBondContact O-N 3.28Å; L256-D259 WeakPolarHBondContact O-CB 3.46Å; L256-D259 PolarHBondContact O-N 3.13Å; Y257-D259 VanDerWaalsContact C-N 3.33Å; Y257-D259 PolarHBondContact O-N 3.24Å; D259-S262 PolarHBondContact O-OG 2.72Å; D259-D263 PolarHBondContact O-N 3.38Å
260	I	95.3	Very high	95	Very high	82 Å²	82	19 Å²	19	42%	0.421	12%	0.119	S	C	.	.	H	α-helix	trans	-63.3	-50	-175.9	-64.1	167.5	0	0	0	111.4	L256 Y257 L264	L256-I260 HydrophobicContact CD1-CD1 4.02Å; L256-I260 HydrophobicContact CD1-CG1 4.4Å; L256-I260 HydrophobicContact CG-CD1 4.03Å; L256-I260 WeakPolarHBondContact O-CG1 3.48Å; L256-I260 PolarHBondContact O-N 3.32Å; L256-I260 VanDerWaalsContact O-N 3.15Å; Y257-I260 PolarHBondContact O-N 3.32Å; I260-L264 WeakPolarHBondContact O-CB 3.43Å; I260-L264 PolarHBondContact O-N 2.88Å
261	L	96.5	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.6	-37.5	-175.3	-82.8	174.9	0	0	0	112.3	V200 L234 V237 C238 M253 Y257 L264 C265	V200-L261 HydrophobicContact CB-CD1 4.4Å; V200-L261 HydrophobicContact CG1-CD1 3.84Å; V200-L261 HydrophobicContact CG2-CD1 4.25Å; L234-L261 HydrophobicContact CD1-CD1 3.64Å; L234-L261 HydrophobicContact CD1-CD2 4.46Å; L234-L261 HydrophobicContact CD1-CG 3.85Å; V237-L261 HydrophobicContact CB-CD1 4.48Å; V237-L261 HydrophobicContact CG1-CD1 3.87Å; V237-L261 HydrophobicContact CG1-CD2 3.94Å; C238-L261 VanDerWaalsContact SG-CD2 3.58Å; M253-L261 HydrophobicContact CE-CD1 4.06Å; M253-L261 HydrophobicContact SD-CB 4Å; M253-L261 HydrophobicContact SD-CD1 3.59Å; M253-L261 VanDerWaalsContact SD-CD1 3.59Å; M253-L261 HydrophobicContact SD-CG 4.36Å; Y257-L261 VanDerWaalsContact O-CB 3.31Å; Y257-L261 WeakPolarHBondContact O-CB 3.49Å; Y257-L261 PolarHBondContact O-N 2.82Å; L261-L264 HydrophobicContact CD2-CD1 4.43Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 3.48Å; L261-C265 WeakPolarHBondContact O-CB 3.21Å; L261-C265 PolarHBondContact O-N 3.29Å; L261-C265 PolarHBondContact O-SG 3.08Å
262	S	94.5	Very high	93.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-33.5	179.9	65.4	0	0	0	0	112.8	R127 T146 G258 D259 C265 A266	R127-S262 VanDerWaalsContact CD-OG 3.27Å; R127-S262 WeakPolarHBondContact CD-OG 3.15Å; R127-S262 PolarHBondContact NH1-OG 3.29Å; T146-S262 WeakPolarHBondContact OG1-CB 3.33Å; G258-S262 WeakPolarHBondContact O-CB 3.41Å; G258-S262 PolarHBondContact O-N 2.88Å; G258-S262 PolarHBondContact O-OG 2.76Å; D259-S262 PolarHBondContact O-OG 2.72Å; S262-C265 PolarHBondContact O-N 3.48Å; S262-A266 PolarHBondContact O-N 3.38Å
263	D	93.6	Very high	93	Very high	69 Å²	69	24.1 Å²	24.1	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-71.3	-36.7	171.9	-81.2	25.7	0	0	0	111.9	R127 D259 C265 A266 G267	R127-D263 IonicContact NH1-OD1 2.86Å; R127-D263 PolarHBondContact NH1-OD1 3.43Å; D259-D263 PolarHBondContact O-N 3.38Å; D263-C265 VanDerWaalsContact C-N 3.34Å; D263-A266 WeakPolarHBondContact O-CB 3.26Å; D263-A266 PolarHBondContact O-N 2.61Å; D263-G267 PolarHBondContact O-N 2.84Å
264	L	95.4	Very high	92.4	Very high	45 Å²	45	24.2 Å²	24.2	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-48.1	169.6	-178.4	163.8	0	0	0	110.3	C238 M241 V242 I260 L261 A266 G267 L268	C238-L264 HydrophobicContact CB-CD1 4.34Å; M241-L264 HydrophobicContact CB-CD2 4.16Å; M241-L264 HydrophobicContact CG-CD2 3.4Å; V242-L264 HydrophobicContact CG1-CD1 4.24Å; V242-L264 HydrophobicContact CG1-CD2 4.17Å; V242-L264 HydrophobicContact CG1-CG 4.43Å; I260-L264 WeakPolarHBondContact O-CB 3.43Å; I260-L264 PolarHBondContact O-N 2.88Å; L261-L264 HydrophobicContact CD2-CD1 4.43Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 3.48Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 2.9Å; L264-G267 PolarHBondContact O-N 2.65Å; L264-G267 VanDerWaalsContact O-N 3.09Å; L264-L268 HydrophobicContact CD2-CD1 4.33Å; L264-L268 HydrophobicContact CD2-CD2 4.45Å; L264-L268 HydrophobicContact CD2-CG 4.4Å; L264-L268 PolarHBondContact O-N 2.95Å
265	C	94.4	Very high	92	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-41.2	177.8	-69.7	0	0	0	0	111.9	C129 L144 L261 S262 D263 G267 L268	C129-C265 HydrophobicContact CB-CB 3.88Å; C129-C265 VanDerWaalsContact SG-C 3.53Å; C129-C265 PolarHBondContact SG-O 2.84Å; L144-C265 HydrophobicContact CD1-CB 4.23Å; L144-C265 VanDerWaalsContact CD1-SG 3.59Å; L261-C265 WeakPolarHBondContact O-CB 3.21Å; L261-C265 PolarHBondContact O-N 3.29Å; L261-C265 PolarHBondContact O-SG 3.08Å; S262-C265 PolarHBondContact O-N 3.48Å; D263-C265 VanDerWaalsContact C-N 3.34Å; C265-G267 PolarHBondContact O-N 3.49Å; C265-L268 VanDerWaalsContact O-CB 3.28Å; C265-L268 WeakPolarHBondContact O-CB 3.37Å; C265-L268 PolarHBondContact O-N 3.03Å
266	A	92.4	Very high	91.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-54.6	-41.7	174.4	0	0	0	0	0	111.9	S262 D263 L264 L268 I269 G270 G271 L272 T275	S262-A266 PolarHBondContact O-N 3.38Å; D263-A266 WeakPolarHBondContact O-CB 3.26Å; D263-A266 PolarHBondContact O-N 2.61Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 2.9Å; A266-L268 PolarHBondContact O-N 3.08Å; A266-I269 WeakPolarHBondContact O-CG1 3.29Å; A266-I269 PolarHBondContact O-N 3.27Å; A266-I269 VanDerWaalsContact O-N 3.14Å; A266-G270 PolarHBondContact O-N 2.77Å; A266-G271 VanDerWaalsContact O-CA 3.22Å; A266-G271 WeakPolarHBondContact O-CA 3.34Å; A266-G271 PolarHBondContact O-N 3.26Å; A266-L272 HydrophobicContact CB-CD2 3.7Å; A266-T275 WeakPolarHBondContact CA-OG1 3.27Å; A266-T275 HydrophobicContact CB-CG2 4.08Å; A266-T275 WeakPolarHBondContact CB-OG1 3.16Å
267	G	91.9	Very high	91.9	Very high	53 Å²	53	22.3 Å²	22.3	55%	0.546	15%	0.147	S	C	.	.	H	α-helix	trans	-59.2	-27.6	175.7	0	0	0	0	0	114.4	D263 L264 C265 I269	D263-G267 PolarHBondContact O-N 2.84Å; L264-G267 PolarHBondContact O-N 2.65Å; L264-G267 VanDerWaalsContact O-N 3.09Å; C265-G267 PolarHBondContact O-N 3.49Å; G267-I269 VanDerWaalsContact C-N 3.32Å; G267-I269 PolarHBondContact O-N 2.97Å
268	L	92.6	Very high	91.9	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-72.7	-23.5	178.6	-52.2	175.8	0	0	0	113.1	T137 Y139 V142 M241 P245 L264 C265 A266	T137-L268 PolarHBondContact OG1-O 2.76Å; T137-L268 VanDerWaalsContact OG1-O 3.08Å; Y139-L268 HydrophobicContact CD1-CD2 4.36Å; Y139-L268 HydrophobicContact CD2-CB 4.16Å; Y139-L268 HydrophobicContact CD2-CD2 3.72Å; Y139-L268 HydrophobicContact CE1-CD2 4.1Å; Y139-L268 HydrophobicContact CE2-CD2 3.42Å; Y139-L268 VanDerWaalsContact CE2-CD2 3.42Å; Y139-L268 HydrophobicContact CG-CB 4.43Å; Y139-L268 HydrophobicContact CG-CD2 4.19Å; V142-L268 HydrophobicContact CG1-CD1 4.48Å; V142-L268 HydrophobicContact CG2-CB 4.26Å; M241-L268 HydrophobicContact CG-CD1 3.89Å; M241-L268 HydrophobicContact SD-CD1 3.92Å; P245-L268 HydrophobicContact CB-CD1 3.83Å; P245-L268 HydrophobicContact CG-CD1 4.28Å; L264-L268 HydrophobicContact CD2-CD1 4.33Å; L264-L268 HydrophobicContact CD2-CD2 4.45Å; L264-L268 HydrophobicContact CD2-CG 4.4Å; L264-L268 PolarHBondContact O-N 2.95Å; C265-L268 VanDerWaalsContact O-CB 3.28Å; C265-L268 WeakPolarHBondContact O-CB 3.37Å; C265-L268 PolarHBondContact O-N 3.03Å; A266-L268 PolarHBondContact O-N 3.08Å
269	I	90.7	Very high	92	Very high	2 Å²	2	22 Å²	22	1%	0.01	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	8.9	-172.1	62.5	159.9	0	0	0	114	C129 V142 A266 G267 V274	C129-I269 WeakPolarHBondContact SG-CG2 3.43Å; V142-I269 HydrophobicContact CB-CG2 3.87Å; V142-I269 HydrophobicContact CG1-CG2 3.9Å; V142-I269 HydrophobicContact CG2-CG2 4.3Å; A266-I269 WeakPolarHBondContact O-CG1 3.29Å; A266-I269 PolarHBondContact O-N 3.27Å; A266-I269 VanDerWaalsContact O-N 3.14Å; G267-I269 VanDerWaalsContact C-N 3.32Å; G267-I269 PolarHBondContact O-N 2.97Å; I269-V274 HydrophobicContact CD1-CG2 4.32Å; I269-V274 HydrophobicContact CG1-CG2 4.36Å
270	G	86.3	Confident	92.2	Very high	30 Å²	30	20.4 Å²	20.4	31%	0.309	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.9	2.9	178.9	0	0	0	0	0	115.8	Y135 A266	Y135-G270 VanDerWaalsContact CE1-CA 3.44Å; A266-G270 PolarHBondContact O-N 2.77Å
271	G	86.9	Confident	92.1	Very high	19 Å²	19	16.8 Å²	16.8	20%	0.196	12%	0.121	C	C	.	.			trans	99.8	-169.6	171.7	0	0	0	0	0	114.5	A266 G273 V274 T275	A266-G271 VanDerWaalsContact O-CA 3.22Å; A266-G271 WeakPolarHBondContact O-CA 3.34Å; A266-G271 PolarHBondContact O-N 3.26Å; G271-G273 VanDerWaalsContact C-N 3.25Å; G271-G273 PolarHBondContact O-N 3.41Å; G271-V274 WeakPolarHBondContact O-CG2 3.14Å; G271-V274 PolarHBondContact O-N 3.32Å; G271-T275 PolarHBondContact O-OG1 3.41Å
272	L	83.8	Confident	91.6	Very high	67 Å²	67	18.3 Å²	18.3	35%	0.351	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.1	-21.8	-171.3	-57.5	177.4	0	0	0	113.5	A266 V274 T275 V291 H292	A266-L272 HydrophobicContact CB-CD2 3.7Å; L272-V274 PolarHBondContact O-N 2.65Å; L272-T275 PolarHBondContact O-N 2.96Å; L272-V291 HydrophobicContact CD2-CG1 3.82Å; L272-H292 HydrophobicContact CB-CB 3.99Å
273	G	83.5	Confident	91.1	Very high	21 Å²	21	26.9 Å²	26.9	22%	0.216	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.7	-14.7	180	0	0	0	0	0	114.4	G271 A308	G271-G273 VanDerWaalsContact C-N 3.25Å; G271-G273 PolarHBondContact O-N 3.41Å; G273-A308 WeakPolarHBondContact O-CB 3.34Å; G273-A308 PolarHBondContact O-N 3.25Å; G273-A308 VanDerWaalsContact O-N 3.1Å
274	V	85.2	Confident	90.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-125.3	6.1	-178.4	-62.5	0	0	0	0	113.6	I132 I269 G271 L272 P276 T307 L311 L347	I132-V274 HydrophobicContact CD1-CB 3.48Å; I132-V274 VanDerWaalsContact CD1-CB 3.48Å; I132-V274 HydrophobicContact CD1-CG1 3.83Å; I132-V274 HydrophobicContact CD1-CG2 3.9Å; I269-V274 HydrophobicContact CD1-CG2 4.32Å; I269-V274 HydrophobicContact CG1-CG2 4.36Å; G271-V274 WeakPolarHBondContact O-CG2 3.14Å; G271-V274 PolarHBondContact O-N 3.32Å; L272-V274 PolarHBondContact O-N 2.65Å; V274-P276 WeakPolarHBondContact O-CD 3.3Å; V274-T307 HydrophobicContact CB-CG2 4.41Å; V274-T307 HydrophobicContact CG1-CG2 4.09Å; V274-L311 WeakPolarHBondContact O-CD1 3.26Å; V274-L347 HydrophobicContact CG1-CD2 4Å
275	T	89.3	Confident	90.7	Very high	2 Å²	2	24 Å²	24	1%	0.012	17%	0.168	C	C	.	.			trans	-98	114.6	-176.2	-56	0	0	0	0	110.8	A266 G271 L272 V291	A266-T275 WeakPolarHBondContact CA-OG1 3.27Å; A266-T275 HydrophobicContact CB-CG2 4.08Å; A266-T275 WeakPolarHBondContact CB-OG1 3.16Å; G271-T275 PolarHBondContact O-OG1 3.41Å; L272-T275 PolarHBondContact O-N 2.96Å; T275-V291 HydrophobicContact CG2-CG2 3.96Å; T275-V291 WeakPolarHBondContact O-CG2 3.45Å; T275-V291 PolarHBondContact O-N 3.46Å
276	P	94.7	Very high	90.9	Very high	12 Å²	12	24 Å²	24	8%	0.078	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	162.1	177.4	35.7	-36.5	0	0	0	112.6	V274 L311 S312 M315	V274-P276 WeakPolarHBondContact O-CD 3.3Å; P276-L311 HydrophobicContact CB-CB 3.67Å; P276-L311 HydrophobicContact CG-CB 3.91Å; P276-S312 VanDerWaalsContact CA-OG 3.24Å; P276-S312 WeakPolarHBondContact CA-OG 3.44Å; P276-S312 WeakPolarHBondContact CB-OG 3.49Å; P276-M315 HydrophobicContact CB-SD 3.66Å; P276-M315 HydrophobicContact CG-SD 3.81Å
277	S	96.2	Very high	91.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.2	169.9	79.3	0	0	0	0	114	V126 F288 E289 S312	V126-S277 WeakPolarHBondContact O-CA 3.34Å; S277-F288 WeakPolarHBondContact O-CA 3.27Å; S277-E289 WeakPolarHBondContact CA-O 3.31Å; S277-E289 WeakPolarHBondContact CB-O 3.41Å; S277-E289 PolarHBondContact N-O 2.74Å; S277-E289 PolarHBondContact O-N 2.82Å; S277-E289 WeakPolarHBondContact OG-CG 3.34Å; S277-E289 PolarHBondContact OG-O 3.12Å; S277-S312 PolarHBondContact N-OG 3.11Å
278	G	97.3	Very high	91.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.1	171.8	0	0	0	0	0	111.1	V126	V126-G278 PolarHBondContact N-O 2.77Å; V126-G278 PolarHBondContact O-N 2.92Å
279	N	97.6	Very high	91.6	Very high	2 Å²	2	22 Å²	22	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.9	171.4	-58.7	-94.6	0	0	0	108.2	R117 L122 A124 N125 N150 A286 I287 E289	R117-N279 PolarHBondContact NE-OD1 2.64Å; L122-N279 HydrophobicContact CB-CB 3.85Å; L122-N279 HydrophobicContact CD1-CB 3.85Å; L122-N279 HydrophobicContact CG-CB 4.37Å; A124-N279 CarbonylContact O-C 3.52Å; A124-N279 WeakPolarHBondContact O-CA 3.13Å; N125-N279 PolarHBondContact ND2-OD1 2.87Å; N150-N279 PolarHBondContact ND2-OD1 3.49Å; N279-A286 CarbonylContact O-C 3.59Å; N279-A286 WeakPolarHBondContact O-CA 3.31Å; N279-I287 WeakPolarHBondContact CB-O 3.48Å; N279-I287 PolarHBondContact N-O 3.23Å; N279-I287 PolarHBondContact ND2-O 3.14Å; N279-I287 PolarHBondContact O-N 2.8Å; N279-E289 PolarHBondContact ND2-OE1 3.41Å
280	I	97.6	Very high	91.4	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.8	-174.7	-47.8	-56.7	0	0	0	108.7	L122 Y123 A124 V126 Y184 A286 F288	L122-I280 CarbonylContact C-O 2.96Å; Y123-I280 PolarHBondContact N-O 3.2Å; A124-I280 HydrophobicContact CB-CB 4.34Å; A124-I280 PolarHBondContact N-O 3.06Å; A124-I280 PolarHBondContact O-N 3.45Å; V126-I280 HydrophobicContact CG2-CG1 4.11Å; Y184-I280 HydrophobicContact CE2-CB 4.26Å; Y184-I280 HydrophobicContact CE2-CG2 3.85Å; Y184-I280 WeakPolarHBondContact OH-CG1 3.22Å; I280-A286 HydrophobicContact CD1-CB 3.78Å; I280-F288 HydrophobicContact CD1-CE1 4.34Å; I280-F288 HydrophobicContact CD1-CZ 4.1Å
281	G	94.3	Very high	91.4	Very high	6 Å²	6	21.8 Å²	21.8	6%	0.062	14%	0.137	C	C	.	.			trans	-112.7	-179.4	176.9	0	0	0	0	0	113.2	D121 V285	D121-G281 WeakPolarHBondContact O-CA 3.36Å; G281-V285 WeakPolarHBondContact CA-O 3.41Å; G281-V285 PolarHBondContact N-O 3.03Å
282	A	84.6	Confident	91.3	Very high	31 Å²	31	22 Å²	22	26%	0.256	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-67.8	163.1	172.5	0	0	0	0	0	111.5	G284 V285	A282-G284 PolarHBondContact O-N 2.74Å; A282-G284 VanDerWaalsContact O-N 3.1Å; A282-V285 PolarHBondContact O-N 3.22Å
283	H	84.7	Confident	91.5	Very high	181 Å²	181	21.2 Å²	21.2	84%	0.838	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	56.6	29.2	172.4	-50.7	-67.8	0	0	0	115.2	V285	H283-V285 VanDerWaalsContact C-N 3.31Å; H283-V285 PolarHBondContact O-N 2.96Å
284	G	85.4	Confident	91.8	Very high	44 Å²	44	21.3 Å²	21.3	45%	0.454	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	78	10	175.8	0	0	0	0	0	114.8	A282	A282-G284 PolarHBondContact O-N 2.74Å; A282-G284 VanDerWaalsContact O-N 3.1Å
285	V	95.8	Very high	92.1	Very high	11 Å²	11	22.6 Å²	22.6	7%	0.067	15%	0.148	C	C	.	.			trans	-75.3	131.3	173.5	-169.4	0	0	0	0	109.7	M90 K94 F120 L122 G281 A282 H283	M90-V285 HydrophobicContact CE-CG1 3.9Å; K94-V285 HydrophobicContact CD-CG2 3.87Å; K94-V285 CarbonylContact O-C 3.59Å; K94-V285 VanDerWaalsContact O-CA 3.23Å; K94-V285 WeakPolarHBondContact O-CA 3.27Å; F120-V285 HydrophobicContact CB-CG1 4.02Å; F120-V285 HydrophobicContact CG-CG1 4.42Å; L122-V285 HydrophobicContact CD2-CB 4.35Å; L122-V285 HydrophobicContact CD2-CG1 3.92Å; G281-V285 WeakPolarHBondContact CA-O 3.41Å; G281-V285 PolarHBondContact N-O 3.03Å; A282-V285 PolarHBondContact O-N 3.22Å; H283-V285 VanDerWaalsContact C-N 3.31Å; H283-V285 PolarHBondContact O-N 2.96Å
286	A	97.6	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	137.3	176.2	0	0	0	0	0	111.5	K94 I95 G96 N279 I280 F288	K94-A286 PolarHBondContact O-N 2.92Å; I95-A286 CarbonylContact C-O 3.53Å; I95-A286 WeakPolarHBondContact CA-O 3.5Å; I95-A286 HydrophobicContact CD1-CB 4.06Å; G96-A286 PolarHBondContact N-O 3.45Å; N279-A286 CarbonylContact O-C 3.59Å; N279-A286 WeakPolarHBondContact O-CA 3.31Å; I280-A286 HydrophobicContact CD1-CB 3.78Å; A286-F288 HydrophobicContact CB-CD2 4.49Å; A286-F288 HydrophobicContact CB-CE2 3.65Å; A286-F288 HydrophobicContact CB-CZ 4.03Å
287	I	97.9	Very high	92.2	Very high	3 Å²	3	32 Å²	32	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	172.3	-58.8	-174	0	0	0	109.3	M90 G96 K98 F120 L122 N279	M90-I287 HydrophobicContact CE-CD1 3.93Å; M90-I287 HydrophobicContact CE-CG1 3.57Å; M90-I287 HydrophobicContact SD-CD1 4.44Å; M90-I287 HydrophobicContact SD-CG1 4.38Å; G96-I287 WeakPolarHBondContact O-CA 3.28Å; K98-I287 HydrophobicContact CB-CG2 3.75Å; K98-I287 HydrophobicContact CD-CG2 4.12Å; F120-I287 HydrophobicContact CD2-CD1 3.9Å; F120-I287 HydrophobicContact CE2-CD1 4.25Å; L122-I287 HydrophobicContact CD1-CB 3.95Å; L122-I287 HydrophobicContact CD1-CD1 3.65Å; L122-I287 HydrophobicContact CD1-CG1 3.74Å; N279-I287 WeakPolarHBondContact CB-O 3.48Å; N279-I287 PolarHBondContact N-O 3.23Å; N279-I287 PolarHBondContact ND2-O 3.14Å; N279-I287 PolarHBondContact O-N 2.8Å
288	F	98.3	Very high	92.1	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.1	176.8	-60.3	-91.9	0	0	0	109.8	I95 G96 L97 K98 S277 I280 A286 S312 M315 M316 H319	I95-F288 HydrophobicContact CG2-CD2 4.47Å; I95-F288 HydrophobicContact CG2-CE2 4.28Å; G96-F288 PolarHBondContact O-N 3.11Å; L97-F288 HydrophobicContact CD1-CB 4.08Å; K98-F288 PolarHBondContact N-O 3.45Å; S277-F288 WeakPolarHBondContact O-CA 3.27Å; I280-F288 HydrophobicContact CD1-CE1 4.34Å; I280-F288 HydrophobicContact CD1-CZ 4.1Å; A286-F288 HydrophobicContact CB-CD2 4.49Å; A286-F288 HydrophobicContact CB-CE2 3.65Å; A286-F288 HydrophobicContact CB-CZ 4.03Å; F288-S312 WeakPolarHBondContact CB-O 3.4Å; F288-M315 HydrophobicContact CD1-CB 3.79Å; F288-M315 HydrophobicContact CE1-CB 3.89Å; F288-M316 HydrophobicContact CB-CB 4.16Å; F288-M316 HydrophobicContact CD1-CB 4.09Å; F288-M316 HydrophobicContact CD2-CB 3.4Å; F288-M316 HydrophobicContact CD2-CG 3.43Å; F288-M316 VanDerWaalsContact CD2-CG 3.43Å; F288-M316 HydrophobicContact CD2-SD 4.3Å; F288-M316 HydrophobicContact CE1-CB 4.39Å; F288-M316 HydrophobicContact CE2-CB 3.76Å; F288-M316 HydrophobicContact CE2-CG 3.67Å; F288-M316 HydrophobicContact CG-CB 3.59Å; F288-M316 HydrophobicContact CG-CG 4.14Å; F288-M316 HydrophobicContact CZ-CB 4.25Å; F288-H319 HydrophobicContact CE1-CB 4.37Å; F288-H319 HydrophobicContact CE2-CB 4.28Å; F288-H319 HydrophobicContact CZ-CB 3.56Å; F288-H319 AromaticContact CZ-CG 3.79Å
289	E	95.9	Very high	92	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	150	-174.2	68.8	179.5	155.7	0	0	112.3	K98 R117 S277 N279 S312	K98-E289 HydrophobicContact CB-CB 4.32Å; K98-E289 HydrophobicContact CD-CB 4.46Å; K98-E289 WeakPolarHBondContact CE-OE2 3.03Å; K98-E289 IonicContact NZ-OE2 3.26Å; K98-E289 PolarHBondContact NZ-OE2 2.92Å; K98-E289 WeakPolarHBondContact O-CA 3.31Å; K98-E289 WeakPolarHBondContact O-CB 3.33Å; R117-E289 IonicContact NH2-OE1 2.69Å; R117-E289 PolarHBondContact NH2-OE1 2.93Å; S277-E289 WeakPolarHBondContact CA-O 3.31Å; S277-E289 WeakPolarHBondContact CB-O 3.41Å; S277-E289 PolarHBondContact N-O 2.74Å; S277-E289 PolarHBondContact O-N 2.82Å; S277-E289 WeakPolarHBondContact OG-CG 3.34Å; S277-E289 PolarHBondContact OG-O 3.12Å; N279-E289 PolarHBondContact ND2-OE1 3.41Å; E289-S312 PolarHBondContact O-OG 3.01Å
290	S	87.8	Confident	91.9	Very high	4 Å²	4	39 Å²	39	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.6	166.2	55.9	0	0	0	0	110.9	H292	S290-H292 WeakPolarHBondContact CB-NE2 3.32Å; S290-H292 PolarHBondContact OG-CE1 2.91Å
291	V	84.6	Confident	91.8	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	29%	0.285	C	S	.	.	S	Bend	trans	-74.6	-30.3	177.6	-179.3	0	0	0	0	112.5	R127 L272 T275	R127-V291 HydrophobicContact CG-CG2 4.35Å; L272-V291 HydrophobicContact CD2-CG1 3.82Å; T275-V291 HydrophobicContact CG2-CG2 3.96Å; T275-V291 WeakPolarHBondContact O-CG2 3.45Å; T275-V291 PolarHBondContact O-N 3.46Å
292	H	85.8	Confident	92	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.111	29%	0.294	C	S	.	.	S	Bend	trans	-66.9	160	-176.4	65.3	63.5	0	0	0	113.6	L272 S290	L272-H292 HydrophobicContact CB-CB 3.99Å; S290-H292 WeakPolarHBondContact CB-NE2 3.32Å; S290-H292 PolarHBondContact OG-CE1 2.91Å
293	G	87.4	Confident	92.5	Very high	50 Å²	50	48.2 Å²	48.2	52%	0.515	30%	0.299	S	S	.	.			trans	-77.4	-166.2	176.2	0	0	0	0	0	114.2	P100 A295	P100-G293 VanDerWaalsContact CB-C 3.49Å; P100-G293 VanDerWaalsContact CB-O 3.32Å; P100-G293 WeakPolarHBondContact CB-O 3.39Å; G293-A295 PolarHBondContact O-N 2.83Å
294	T	90.6	Very high	93	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.141	26%	0.26	C	S	.	.			trans	-79.8	-10.1	-173.4	58.9	0	0	0	0	115	D42 G43 I44 P100 K102	D42-T294 HydrophobicContact CB-CG2 3.97Å; G43-T294 WeakPolarHBondContact CA-O 2.78Å; I44-T294 PolarHBondContact N-O 3.17Å; P100-T294 HydrophobicContact CB-CG2 4.01Å; K102-T294 HydrophobicContact CB-CG2 4.1Å
295	A	91.8	Very high	93.5	Very high	29 Å²	29	38.1 Å²	38.1	24%	0.24	24%	0.241	C	C	.	.			trans	39.3	61.9	-179.2	0	0	0	0	0	114.1	I44 G293 D297 I298 A299	I44-A295 HydrophobicContact CD1-CB 4.05Å; I44-A295 HydrophobicContact CG1-CB 4.32Å; I44-A295 HydrophobicContact CG2-CB 3.81Å; I44-A295 WeakPolarHBondContact CG2-O 3.48Å; G293-A295 PolarHBondContact O-N 2.83Å; A295-D297 VanDerWaalsContact C-OD1 3.27Å; A295-D297 PolarHBondContact O-N 2.8Å; A295-D297 VanDerWaalsContact O-N 3.12Å; A295-I298 HydrophobicContact CB-CD1 4.12Å; A295-I298 HydrophobicContact CB-CG1 3.82Å; A295-I298 WeakPolarHBondContact O-CG1 3.43Å; A295-I298 PolarHBondContact O-N 2.97Å; A295-I298 VanDerWaalsContact O-N 3.17Å; A295-A299 PolarHBondContact O-N 2.86Å
296	P	91.3	Very high	93.5	Very high	103 Å²	103	37.6 Å²	37.6	67%	0.669	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	-170.3	28.7	-35.9	0	0	0	113.9	I298	P296-I298 VanDerWaalsContact C-N 3.32Å
297	D	93.3	Very high	93.4	Very high	108 Å²	108	37.6 Å²	37.6	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.8	178.1	59.7	-55.5	0	0	0	113.3	A295 K301	A295-D297 VanDerWaalsContact C-OD1 3.27Å; A295-D297 PolarHBondContact O-N 2.8Å; A295-D297 VanDerWaalsContact O-N 3.12Å; D297-K301 WeakPolarHBondContact O-CE 3.4Å; D297-K301 PolarHBondContact O-NZ 2.82Å
298	I	94	Very high	93.2	Very high	45 Å²	45	37.4 Å²	37.4	23%	0.231	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-5.1	178.9	60.7	166.2	0	0	0	114.3	I44 A295 P296 G300 K301 L303 A304	I44-I298 HydrophobicContact CG2-CD1 4.1Å; I44-I298 HydrophobicContact CG2-CG1 3.72Å; A295-I298 HydrophobicContact CB-CD1 4.12Å; A295-I298 HydrophobicContact CB-CG1 3.82Å; A295-I298 WeakPolarHBondContact O-CG1 3.43Å; A295-I298 PolarHBondContact O-N 2.97Å; A295-I298 VanDerWaalsContact O-N 3.17Å; P296-I298 VanDerWaalsContact C-N 3.32Å; I298-G300 PolarHBondContact O-N 2.98Å; I298-K301 VanDerWaalsContact O-CB 3.3Å; I298-K301 WeakPolarHBondContact O-CB 3.24Å; I298-K301 PolarHBondContact O-N 3.34Å; I298-K301 VanDerWaalsContact O-N 3.07Å; I298-L303 HydrophobicContact CB-CB 4.35Å; I298-L303 HydrophobicContact CG2-CD1 4.41Å; I298-A304 HydrophobicContact CD1-CB 4.32Å
299	A	95.7	Very high	93.2	Very high	33 Å²	33	37.2 Å²	37.2	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	127.4	179.7	0	0	0	0	0	112.8	G43 I44 A295 K301	G43-A299 VanDerWaalsContact C-CB 3.47Å; I44-A299 HydrophobicContact CG2-CB 4.32Å; A295-A299 PolarHBondContact O-N 2.86Å; A299-K301 PolarHBondContact O-N 3.08Å
300	G	95.3	Very high	93.3	Very high	72 Å²	72	36.7 Å²	36.7	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	10.4	177.7	0	0	0	0	0	114.7	I298	I298-G300 PolarHBondContact O-N 2.98Å
301	K	96.9	Very high	93.7	Very high	128 Å²	128	37.2 Å²	37.2	56%	0.557	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.1	177.9	-58.2	-174.4	-175.9	168.7	0	113.5	D297 I298 A299 L303	D297-K301 WeakPolarHBondContact O-CE 3.4Å; D297-K301 PolarHBondContact O-NZ 2.82Å; I298-K301 VanDerWaalsContact O-CB 3.3Å; I298-K301 WeakPolarHBondContact O-CB 3.24Å; I298-K301 PolarHBondContact O-N 3.34Å; I298-K301 VanDerWaalsContact O-N 3.07Å; A299-K301 PolarHBondContact O-N 3.08Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 HydrophobicContact CB-CD1 3.9Å; K301-L303 HydrophobicContact CB-CG 3.92Å; K301-L303 HydrophobicContact CD-CD1 4.4Å; K301-L303 PolarHBondContact O-N 3.44Å
302	D	97.3	Very high	94.3	Very high	45 Å²	45	36 Å²	36	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	35.6	-176.9	-163.3	22.1	0	0	0	111.7	E47 K352 C353 S354	E47-D302 WeakPolarHBondContact OE2-CA 3.35Å; E47-D302 PolarHBondContact OE2-N 2.87Å; E47-D302 VanDerWaalsContact OE2-N 3.16Å; D302-K352 HydrophobicContact CB-CB 4.49Å; D302-K352 CarbonylContact O-C 3.52Å; D302-K352 WeakPolarHBondContact O-CA 3.48Å; D302-K352 VanDerWaalsContact O-CB 3.25Å; D302-K352 WeakPolarHBondContact O-CB 3.41Å; D302-K352 WeakPolarHBondContact OD2-CB 3.47Å; D302-K352 WeakPolarHBondContact OD2-CD 3.39Å; D302-C353 PolarHBondContact O-N 3.18Å; D302-C353 VanDerWaalsContact OD1-CB 3.26Å; D302-C353 WeakPolarHBondContact OD1-CB 3.23Å; D302-C353 PolarHBondContact OD1-N 2.69Å; D302-S354 WeakPolarHBondContact OD1-CB 3.42Å; D302-S354 PolarHBondContact OD1-N 3.08Å; D302-S354 PolarHBondContact OD1-OG 2.88Å; D302-S354 WeakPolarHBondContact OD2-CB 3.47Å; D302-S354 PolarHBondContact OD2-OG 2.7Å
303	L	95.9	Very high	94.9	Very high	71 Å²	71	34.9 Å²	34.9	37%	0.372	22%	0.224	S	C	.	.			trans	-115.8	-10.6	-176.8	-63.9	179.5	0	0	0	113.4	I298 K301	I298-L303 HydrophobicContact CB-CB 4.35Å; I298-L303 HydrophobicContact CG2-CD1 4.41Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 HydrophobicContact CB-CD1 3.9Å; K301-L303 HydrophobicContact CB-CG 3.92Å; K301-L303 HydrophobicContact CD-CD1 4.4Å; K301-L303 PolarHBondContact O-N 3.44Å
304	A	95.4	Very high	95.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	20%	0.199	C	C	.	.			trans	-68.6	146.7	-177	0	0	0	0	0	111.9	I44 E47 I48 I298 P306 C353	I44-A304 HydrophobicContact CB-CB 3.85Å; I44-A304 HydrophobicContact CD1-CB 4.09Å; I44-A304 HydrophobicContact CG2-CB 3.93Å; E47-A304 HydrophobicContact CG-CB 3.81Å; E47-A304 WeakPolarHBondContact OE1-CB 3.34Å; I48-A304 HydrophobicContact CG2-CB 3.66Å; I298-A304 HydrophobicContact CD1-CB 4.32Å; A304-P306 WeakPolarHBondContact O-CD 3.45Å; A304-C353 WeakPolarHBondContact O-CB 3.49Å; A304-C353 PolarHBondContact O-SG 2.84Å; A304-C353 VanDerWaalsContact O-SG 3.4Å
305	N	94.3	Very high	95.7	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	20%	0.198	C	C	.	.			trans	-88.8	117.9	170.9	-175.9	-5	0	0	0	110.1	T307 T344 D346 L347	N305-T307 PolarHBondContact O-N 3.38Å; N305-T307 WeakPolarHBondContact OD1-CB 3.48Å; N305-T307 PolarHBondContact OD1-N 2.9Å; N305-T307 PolarHBondContact OD1-OG1 3.16Å; N305-T344 HydrophobicContact CB-CG2 4.34Å; N305-T344 WeakPolarHBondContact CB-OG1 3.41Å; N305-D346 WeakPolarHBondContact CB-OD1 3.32Å; N305-D346 VanDerWaalsContact CB-OD2 3.24Å; N305-D346 WeakPolarHBondContact CB-OD2 3.25Å; N305-D346 PolarHBondContact ND2-OD2 2.93Å; N305-L347 WeakPolarHBondContact ND2-CD1 3.17Å; N305-L347 WeakPolarHBondContact ND2-CG 3.35Å
306	P	96.1	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.			trans	-78.5	-3.1	179.5	32.9	-35.7	0	0	0	113.9	I48 A51 A304 A308 L309 L310 F356	I48-P306 HydrophobicContact CB-CB 4.12Å; I48-P306 HydrophobicContact CG2-CB 4.18Å; A51-P306 HydrophobicContact CB-CB 3.82Å; A51-P306 HydrophobicContact CB-CG 4.21Å; A304-P306 WeakPolarHBondContact O-CD 3.45Å; P306-A308 PolarHBondContact O-N 2.96Å; P306-L309 PolarHBondContact O-N 3.35Å; P306-L310 WeakPolarHBondContact O-CB 3.14Å; P306-L310 PolarHBondContact O-N 3.2Å; P306-F356 HydrophobicContact CG-CD1 3.81Å; P306-F356 HydrophobicContact CG-CE1 4.26Å
307	T	95.1	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.6	-49.3	-169.9	-60.5	0	0	0	0	113.3	V274 N305 L309 L310 L311 I337 F356	V274-T307 HydrophobicContact CB-CG2 4.41Å; V274-T307 HydrophobicContact CG1-CG2 4.09Å; N305-T307 PolarHBondContact O-N 3.38Å; N305-T307 WeakPolarHBondContact OD1-CB 3.48Å; N305-T307 PolarHBondContact OD1-N 2.9Å; N305-T307 PolarHBondContact OD1-OG1 3.16Å; T307-L309 PolarHBondContact O-N 3.42Å; T307-L310 PolarHBondContact O-N 3.15Å; T307-L311 HydrophobicContact CG2-CD1 3.78Å; T307-L311 HydrophobicContact CG2-CG 4.11Å; T307-L311 WeakPolarHBondContact O-CB 3.2Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.21Å; T307-L311 PolarHBondContact O-N 3.17Å; T307-I337 HydrophobicContact CG2-CD1 4.3Å; T307-F356 WeakPolarHBondContact OG1-CE1 3.47Å
308	A	94.2	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-43.7	179.7	0	0	0	0	0	113.4	G273 P306 S312	G273-A308 WeakPolarHBondContact O-CB 3.34Å; G273-A308 PolarHBondContact O-N 3.25Å; G273-A308 VanDerWaalsContact O-N 3.1Å; P306-A308 PolarHBondContact O-N 2.96Å; A308-S312 PolarHBondContact O-N 3.45Å; A308-S312 PolarHBondContact O-OG 2.96Å
309	L	97.6	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.5	-37.7	178.2	-172.7	64.5	0	0	0	111.2	I48 V52 L97 K98 P306 T307 S312 A313	I48-L309 HydrophobicContact CB-CD2 4.36Å; I48-L309 HydrophobicContact CD1-CB 3.99Å; I48-L309 HydrophobicContact CD1-CD2 3.92Å; I48-L309 HydrophobicContact CG1-CB 4.44Å; I48-L309 HydrophobicContact CG1-CD2 3.7Å; V52-L309 HydrophobicContact CG2-CB 4.34Å; V52-L309 HydrophobicContact CG2-CD2 4.23Å; V52-L309 HydrophobicContact CG2-CG 4.09Å; L97-L309 HydrophobicContact CD1-CD1 3.76Å; L97-L309 HydrophobicContact CD1-CG 4.41Å; L97-L309 HydrophobicContact CG-CD1 4.15Å; K98-L309 WeakPolarHBondContact O-CD1 3.31Å; P306-L309 PolarHBondContact O-N 3.35Å; T307-L309 PolarHBondContact O-N 3.42Å; L309-S312 WeakPolarHBondContact O-CB 3.37Å; L309-S312 PolarHBondContact O-N 2.86Å; L309-A313 WeakPolarHBondContact O-CB 3.44Å; L309-A313 PolarHBondContact O-N 3.38Å
310	L	97.9	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-45.7	175.2	-176.2	63.5	0	0	0	111.8	V52 I55 P306 T307 S312 A313 I314 I329 C333 I360	V52-L310 HydrophobicContact CG1-CD1 4.38Å; V52-L310 HydrophobicContact CG2-CB 4.07Å; V52-L310 HydrophobicContact CG2-CD1 4.14Å; I55-L310 HydrophobicContact CB-CD1 4.39Å; I55-L310 HydrophobicContact CD1-CD1 3.91Å; I55-L310 HydrophobicContact CD1-CD2 3.81Å; I55-L310 HydrophobicContact CD1-CG 4.48Å; I55-L310 HydrophobicContact CG2-CD1 4.1Å; P306-L310 WeakPolarHBondContact O-CB 3.14Å; P306-L310 PolarHBondContact O-N 3.2Å; T307-L310 PolarHBondContact O-N 3.15Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 2.96Å; L310-A313 CarbonylContact O-C 3.5Å; L310-A313 WeakPolarHBondContact O-CA 3.46Å; L310-A313 WeakPolarHBondContact O-CB 3.28Å; L310-A313 PolarHBondContact O-N 3Å; L310-A313 VanDerWaalsContact O-N 3.11Å; L310-I314 HydrophobicContact CG-CD1 4.28Å; L310-I314 WeakPolarHBondContact O-CG1 3.45Å; L310-I314 PolarHBondContact O-N 2.74Å; L310-I329 HydrophobicContact CD1-CG2 3.74Å; L310-I329 HydrophobicContact CD2-CG2 4.35Å; L310-I329 HydrophobicContact CG-CG2 4.21Å; L310-C333 HydrophobicContact CD2-CB 4.03Å; L310-I360 HydrophobicContact CD2-CD1 4.05Å
311	L	96.3	Very high	96.2	Very high	14 Å²	14	25.1 Å²	25.1	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-35.4	175.2	-69.2	176.5	0	0	0	111.7	V274 P276 T307 A313 I314 M315 F334	V274-L311 WeakPolarHBondContact O-CD1 3.26Å; P276-L311 HydrophobicContact CB-CB 3.67Å; P276-L311 HydrophobicContact CG-CB 3.91Å; T307-L311 HydrophobicContact CG2-CD1 3.78Å; T307-L311 HydrophobicContact CG2-CG 4.11Å; T307-L311 WeakPolarHBondContact O-CB 3.2Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.21Å; T307-L311 PolarHBondContact O-N 3.17Å; L311-A313 VanDerWaalsContact C-N 3.35Å; L311-I314 HydrophobicContact CD2-CD1 3.94Å; L311-I314 WeakPolarHBondContact O-CB 3.37Å; L311-I314 PolarHBondContact O-N 3.41Å; L311-M315 WeakPolarHBondContact O-CG 3.34Å; L311-M315 PolarHBondContact O-N 3.37Å; L311-F334 HydrophobicContact CD2-CE1 3.87Å; L311-F334 HydrophobicContact CD2-CZ 4.01Å
312	S	98	Very high	96.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-37.9	172.6	-54.5	0	0	0	0	111.5	P276 S277 F288 E289 A308 L309 L310 M315 M316	P276-S312 VanDerWaalsContact CA-OG 3.24Å; P276-S312 WeakPolarHBondContact CA-OG 3.44Å; P276-S312 WeakPolarHBondContact CB-OG 3.49Å; S277-S312 PolarHBondContact N-OG 3.11Å; F288-S312 WeakPolarHBondContact CB-O 3.4Å; E289-S312 PolarHBondContact O-OG 3.01Å; A308-S312 PolarHBondContact O-N 3.45Å; A308-S312 PolarHBondContact O-OG 2.96Å; L309-S312 WeakPolarHBondContact O-CB 3.37Å; L309-S312 PolarHBondContact O-N 2.86Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 2.96Å; S312-M315 WeakPolarHBondContact O-CB 3.42Å; S312-M315 PolarHBondContact O-N 3.28Å; S312-M316 PolarHBondContact O-N 3.11Å
313	A	98.3	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.6	-33.3	173.8	0	0	0	0	0	112.2	V52 F56 L97 L309 L310 L311 M316 L317	V52-A313 HydrophobicContact CG1-CB 3.66Å; F56-A313 HydrophobicContact CE2-CB 3.79Å; F56-A313 HydrophobicContact CZ-CB 3.59Å; L97-A313 HydrophobicContact CD1-CB 3.94Å; L97-A313 HydrophobicContact CD2-CB 3.89Å; L309-A313 WeakPolarHBondContact O-CB 3.44Å; L309-A313 PolarHBondContact O-N 3.38Å; L310-A313 CarbonylContact O-C 3.5Å; L310-A313 WeakPolarHBondContact O-CA 3.46Å; L310-A313 WeakPolarHBondContact O-CB 3.28Å; L310-A313 PolarHBondContact O-N 3Å; L310-A313 VanDerWaalsContact O-N 3.11Å; L311-A313 VanDerWaalsContact C-N 3.35Å; A313-M316 VanDerWaalsContact O-CB 3.26Å; A313-M316 WeakPolarHBondContact O-CB 3.41Å; A313-M316 PolarHBondContact O-N 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.26Å; A313-L317 PolarHBondContact O-N 3.45Å
314	I	97.6	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-42.1	170.7	-69.6	158.6	0	0	0	110.4	L310 L311 M316 L317 R318 A326 I329 E330	L310-I314 HydrophobicContact CG-CD1 4.28Å; L310-I314 WeakPolarHBondContact O-CG1 3.45Å; L310-I314 PolarHBondContact O-N 2.74Å; L311-I314 HydrophobicContact CD2-CD1 3.94Å; L311-I314 WeakPolarHBondContact O-CB 3.37Å; L311-I314 PolarHBondContact O-N 3.41Å; I314-M316 VanDerWaalsContact C-N 3.27Å; I314-M316 PolarHBondContact O-N 2.79Å; I314-L317 PolarHBondContact O-N 2.55Å; I314-R318 VanDerWaalsContact CG2-NH1 3.32Å; I314-R318 WeakPolarHBondContact O-CG 3.49Å; I314-R318 PolarHBondContact O-N 3.5Å; I314-A326 HydrophobicContact CG2-CB 3.99Å; I314-I329 HydrophobicContact CD1-CG2 4.04Å; I314-I329 HydrophobicContact CG1-CB 4.34Å; I314-I329 HydrophobicContact CG1-CG2 4.09Å; I314-E330 HydrophobicContact CD1-CB 3.8Å; I314-E330 HydrophobicContact CD1-CG 4.34Å; I314-E330 HydrophobicContact CG2-CB 4.19Å
315	M	96.6	Very high	96.2	Very high	25 Å²	25	28.9 Å²	28.9	12%	0.123	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-40.8	171.8	-69.8	176.1	64.3	0	0	111.6	V126 P128 P276 F288 L311 S312 R318 H319	V126-M315 HydrophobicContact CB-CE 4.5Å; V126-M315 HydrophobicContact CG1-CE 4.32Å; P128-M315 HydrophobicContact CG-CE 3.72Å; P128-M315 HydrophobicContact CG-SD 3.81Å; P276-M315 HydrophobicContact CB-SD 3.66Å; P276-M315 HydrophobicContact CG-SD 3.81Å; F288-M315 HydrophobicContact CD1-CB 3.79Å; F288-M315 HydrophobicContact CE1-CB 3.89Å; L311-M315 WeakPolarHBondContact O-CG 3.34Å; L311-M315 PolarHBondContact O-N 3.37Å; S312-M315 WeakPolarHBondContact O-CB 3.42Å; S312-M315 PolarHBondContact O-N 3.28Å; M315-R318 PolarHBondContact O-N 3.23Å; M315-H319 PolarHBondContact O-N 3.42Å
316	M	97.8	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-48.6	174.6	-173.5	-172.6	75.7	0	0	111.9	V36 F56 I63 W65 I95 L97 F288 S312 A313 I314 R318 H319 M320	V36-M316 HydrophobicContact CG1-CE 4.2Å; V36-M316 HydrophobicContact CG1-SD 3.7Å; V36-M316 HydrophobicContact CG2-CE 4.48Å; F56-M316 HydrophobicContact CE1-CE 3.9Å; F56-M316 HydrophobicContact CZ-CE 4.31Å; I63-M316 HydrophobicContact CD1-CE 3.97Å; W65-M316 HydrophobicContact CH2-CE 3.78Å; W65-M316 HydrophobicContact CZ3-CE 4.17Å; I95-M316 HydrophobicContact CG2-CG 3.46Å; I95-M316 VanDerWaalsContact CG2-CG 3.46Å; I95-M316 HydrophobicContact CG2-SD 3.68Å; L97-M316 HydrophobicContact CB-SD 4.01Å; F288-M316 HydrophobicContact CB-CB 4.16Å; F288-M316 HydrophobicContact CD1-CB 4.09Å; F288-M316 HydrophobicContact CD2-CB 3.4Å; F288-M316 HydrophobicContact CD2-CG 3.43Å; F288-M316 VanDerWaalsContact CD2-CG 3.43Å; F288-M316 HydrophobicContact CD2-SD 4.3Å; F288-M316 HydrophobicContact CE1-CB 4.39Å; F288-M316 HydrophobicContact CE2-CB 3.76Å; F288-M316 HydrophobicContact CE2-CG 3.67Å; F288-M316 HydrophobicContact CG-CB 3.59Å; F288-M316 HydrophobicContact CG-CG 4.14Å; F288-M316 HydrophobicContact CZ-CB 4.25Å; S312-M316 PolarHBondContact O-N 3.11Å; A313-M316 VanDerWaalsContact O-CB 3.26Å; A313-M316 WeakPolarHBondContact O-CB 3.41Å; A313-M316 PolarHBondContact O-N 3.37Å; I314-M316 VanDerWaalsContact C-N 3.27Å; I314-M316 PolarHBondContact O-N 2.79Å; M316-R318 VanDerWaalsContact C-N 3.3Å; M316-R318 PolarHBondContact O-N 3.3Å; M316-H319 WeakPolarHBondContact O-CA 3.39Å; M316-H319 WeakPolarHBondContact O-CB 3.39Å; M316-H319 PolarHBondContact O-N 3.32Å; M316-H319 VanDerWaalsContact O-N 3.07Å; M316-M320 HydrophobicContact CE-SD 4.08Å; M316-M320 HydrophobicContact CG-SD 3.83Å; M316-M320 VanDerWaalsContact O-CG 3.32Å; M316-M320 WeakPolarHBondContact O-CG 3.29Å; M316-M320 PolarHBondContact O-N 3.26Å; M316-M320 HydrophobicContact SD-SD 4.39Å
317	L	97.6	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-41.5	177.5	-69.5	178	0	0	0	112.1	F56 V61 I63 A313 I314 H319 M320 G321 L322 H325 A326 I329	F56-L317 HydrophobicContact CE1-CD1 4Å; F56-L317 HydrophobicContact CE1-CD2 3.69Å; F56-L317 HydrophobicContact CE1-CG 3.92Å; F56-L317 HydrophobicContact CE2-CD1 4.18Å; F56-L317 HydrophobicContact CZ-CD1 3.59Å; F56-L317 HydrophobicContact CZ-CD2 4.06Å; F56-L317 HydrophobicContact CZ-CG 3.73Å; V61-L317 HydrophobicContact CG1-CD2 3.64Å; I63-L317 HydrophobicContact CD1-CD2 3.63Å; A313-L317 WeakPolarHBondContact O-CG 3.26Å; A313-L317 PolarHBondContact O-N 3.45Å; I314-L317 PolarHBondContact O-N 2.55Å; L317-H319 VanDerWaalsContact C-N 3.33Å; L317-H319 PolarHBondContact O-N 3.5Å; L317-M320 PolarHBondContact O-N 3.15Å; L317-G321 PolarHBondContact O-N 3.28Å; L317-G321 VanDerWaalsContact O-N 3.13Å; L317-L322 HydrophobicContact CB-CB 4.2Å; L317-L322 HydrophobicContact CD2-CB 4.02Å; L317-L322 HydrophobicContact CD2-CD1 3.69Å; L317-L322 HydrophobicContact CD2-CG 4.5Å; L317-L322 WeakPolarHBondContact O-CA 3.25Å; L317-L322 PolarHBondContact O-N 3.07Å; L317-H325 HydrophobicContact CD1-CB 4.14Å; L317-A326 HydrophobicContact CB-CB 3.76Å; L317-A326 HydrophobicContact CD1-CB 4.37Å; L317-I329 HydrophobicContact CD1-CD1 3.88Å
318	R	95.1	Very high	96.4	Very high	83 Å²	83	35.6 Å²	35.6	31%	0.313	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-40.8	174.8	-70.6	172.8	172.5	136.3	0.5	111.9	I314 M315 M316 M320 G321 A326 E330	I314-R318 VanDerWaalsContact CG2-NH1 3.32Å; I314-R318 WeakPolarHBondContact O-CG 3.49Å; I314-R318 PolarHBondContact O-N 3.5Å; M315-R318 PolarHBondContact O-N 3.23Å; M316-R318 VanDerWaalsContact C-N 3.3Å; M316-R318 PolarHBondContact O-N 3.3Å; R318-M320 VanDerWaalsContact C-N 3.34Å; R318-G321 PolarHBondContact O-N 3.02Å; R318-A326 HydrophobicContact CG-CB 3.75Å; R318-E330 IonicContact CZ-OE1 2.92Å; R318-E330 VanDerWaalsContact CZ-OE1 3.26Å; R318-E330 IonicContact CZ-OE2 3.75Å; R318-E330 IonicContact NH1-OE1 2.68Å; R318-E330 PolarHBondContact NH1-OE1 3.05Å; R318-E330 IonicContact NH2-OE1 2.8Å; R318-E330 PolarHBondContact NH2-OE1 3.38Å; R318-E330 IonicContact NH2-OE2 2.87Å; R318-E330 PolarHBondContact NH2-OE2 2.86Å
319	H	94.1	Very high	96.5	Very high	81 Å²	81	35.6 Å²	35.6	38%	0.375	18%	0.176	S	C	.	.	H	α-helix	trans	-63.9	-39.1	176.2	-172.2	94.2	0	0	0	112.1	F288 M315 M316 L317 G321	F288-H319 HydrophobicContact CE1-CB 4.37Å; F288-H319 HydrophobicContact CE2-CB 4.28Å; F288-H319 HydrophobicContact CZ-CB 3.56Å; F288-H319 AromaticContact CZ-CG 3.79Å; M315-H319 PolarHBondContact O-N 3.42Å; M316-H319 WeakPolarHBondContact O-CA 3.39Å; M316-H319 WeakPolarHBondContact O-CB 3.39Å; M316-H319 PolarHBondContact O-N 3.32Å; M316-H319 VanDerWaalsContact O-N 3.07Å; L317-H319 VanDerWaalsContact C-N 3.33Å; L317-H319 PolarHBondContact O-N 3.5Å; H319-G321 PolarHBondContact O-N 3.35Å
320	M	94.6	Very high	96.5	Very high	30 Å²	30	36.4 Å²	36.4	15%	0.148	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7	176.2	-63.4	167	73.2	0	0	113.5	Q34 V36 I63 I95 M316 L317 R318 L322	Q34-M320 HydrophobicContact CB-CE 3.92Å; V36-M320 HydrophobicContact CG2-CE 3.62Å; V36-M320 HydrophobicContact CG2-SD 4.07Å; I63-M320 HydrophobicContact CD1-CE 3.59Å; I63-M320 HydrophobicContact CD1-SD 3.89Å; I63-M320 HydrophobicContact CG1-CE 3.81Å; I95-M320 HydrophobicContact CG1-CG 4.34Å; I95-M320 HydrophobicContact CG2-CG 4.4Å; I95-M320 HydrophobicContact CG2-SD 4.11Å; M316-M320 HydrophobicContact CE-SD 4.08Å; M316-M320 HydrophobicContact CG-SD 3.83Å; M316-M320 VanDerWaalsContact O-CG 3.32Å; M316-M320 WeakPolarHBondContact O-CG 3.29Å; M316-M320 PolarHBondContact O-N 3.26Å; M316-M320 HydrophobicContact SD-SD 4.39Å; L317-M320 PolarHBondContact O-N 3.15Å; R318-M320 VanDerWaalsContact C-N 3.34Å; M320-L322 VanDerWaalsContact C-N 3.34Å; M320-L322 HydrophobicContact CB-CD1 4.36Å; M320-L322 HydrophobicContact CB-CG 4.31Å; M320-L322 HydrophobicContact CE-CD1 4.2Å
321	G	93.8	Very high	96.3	Very high	38 Å²	38	38.2 Å²	38.2	39%	0.392	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	3.7	-176.5	0	0	0	0	0	114.8	L317 R318 H319 R323	L317-G321 PolarHBondContact O-N 3.28Å; L317-G321 VanDerWaalsContact O-N 3.13Å; R318-G321 PolarHBondContact O-N 3.02Å; H319-G321 PolarHBondContact O-N 3.35Å; G321-R323 PolarHBondContact O-N 2.99Å
322	L	96.1	Very high	96.4	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.147	19%	0.187	C	C	.	.			trans	-80.8	54.6	177.5	-61.4	174.6	0	0	0	111.5	V61 P62 I63 L317 M320 S324 H325 A326	V61-L322 HydrophobicContact CG1-CD1 4.25Å; P62-L322 HydrophobicContact CG-CD1 4.21Å; P62-L322 HydrophobicContact CG-CD2 3.87Å; I63-L322 HydrophobicContact CD1-CD1 4.11Å; I63-L322 HydrophobicContact CG1-CD1 4.26Å; L317-L322 HydrophobicContact CB-CB 4.2Å; L317-L322 HydrophobicContact CD2-CB 4.02Å; L317-L322 HydrophobicContact CD2-CD1 3.69Å; L317-L322 HydrophobicContact CD2-CG 4.5Å; L317-L322 WeakPolarHBondContact O-CA 3.25Å; L317-L322 PolarHBondContact O-N 3.07Å; M320-L322 VanDerWaalsContact C-N 3.34Å; M320-L322 HydrophobicContact CB-CD1 4.36Å; M320-L322 HydrophobicContact CB-CG 4.31Å; M320-L322 HydrophobicContact CE-CD1 4.2Å; L322-S324 PolarHBondContact O-N 3.23Å; L322-H325 PolarHBondContact O-N 3.21Å; L322-A326 PolarHBondContact O-N 3.47Å
323	R	95.4	Very high	96.2	Very high	168 Å²	168	37.5 Å²	37.5	63%	0.634	19%	0.187	S	C	*	.	H	α-helix	trans	-65.5	-35.3	-171.2	-69.4	-179.7	172.8	170.1	-6	114	G321 A326 Q327	G321-R323 PolarHBondContact O-N 2.99Å; R323-A326 PolarHBondContact O-N 3.09Å; R323-Q327 WeakPolarHBondContact O-CB 3.46Å; R323-Q327 PolarHBondContact O-N 3.33Å
324	S	95.8	Very high	96	Very high	88 Å²	88	39.3 Å²	39.3	62%	0.615	20%	0.195	S	C	*	.	H	α-helix	trans	-64.2	-46.1	177.9	49	0	0	0	0	111.6	L322 Q327 K328	L322-S324 PolarHBondContact O-N 3.23Å; S324-Q327 PolarHBondContact O-N 3.28Å; S324-K328 WeakPolarHBondContact O-CB 3.37Å; S324-K328 PolarHBondContact O-N 3.41Å
325	H	97.1	Very high	95.9	Very high	40 Å²	40	41.7 Å²	41.7	19%	0.185	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-43.6	175.5	-67.8	86	0	0	0	111.5	A59 E60 V61 L317 L322 Q327 K328 I329	A59-H325 PolarHBondContact O-CD2 3.48Å; A59-H325 VanDerWaalsContact O-CD2 3.3Å; E60-H325 PolarHBondContact O-NE2 3.05Å; V61-H325 HydrophobicContact CG2-CB 4.19Å; L317-H325 HydrophobicContact CD1-CB 4.14Å; L322-H325 PolarHBondContact O-N 3.21Å; H325-Q327 PolarHBondContact O-N 3.23Å; H325-K328 PolarHBondContact O-N 3.21Å; H325-I329 WeakPolarHBondContact O-CG1 3.23Å; H325-I329 PolarHBondContact O-N 2.86Å
326	A	97	Very high	95.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-50.3	175.8	0	0	0	0	0	111.6	I314 L317 R318 L322 R323 I329 E330	I314-A326 HydrophobicContact CG2-CB 3.99Å; L317-A326 HydrophobicContact CB-CB 3.76Å; L317-A326 HydrophobicContact CD1-CB 4.37Å; R318-A326 HydrophobicContact CG-CB 3.75Å; L322-A326 PolarHBondContact O-N 3.47Å; R323-A326 PolarHBondContact O-N 3.09Å; A326-I329 PolarHBondContact O-N 2.96Å; A326-E330 VanDerWaalsContact O-CB 3.28Å; A326-E330 WeakPolarHBondContact O-CB 3.39Å; A326-E330 PolarHBondContact O-N 3.04Å
327	Q	96	Very high	95.5	Very high	96 Å²	96	40.8 Å²	40.8	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-44.2	179.6	-172.4	61.2	51.2	0	0	111.9	R323 S324 H325 I329 E330 T331	R323-Q327 WeakPolarHBondContact O-CB 3.46Å; R323-Q327 PolarHBondContact O-N 3.33Å; S324-Q327 PolarHBondContact O-N 3.28Å; H325-Q327 PolarHBondContact O-N 3.23Å; Q327-I329 PolarHBondContact O-N 3.08Å; Q327-E330 PolarHBondContact O-N 3.39Å; Q327-T331 PolarHBondContact NE2-OG1 2.96Å; Q327-T331 VanDerWaalsContact NE2-OG1 3.08Å; Q327-T331 WeakPolarHBondContact O-CB 3.31Å; Q327-T331 PolarHBondContact O-N 3.27Å; Q327-T331 PolarHBondContact O-OG1 3.42Å; Q327-T331 VanDerWaalsContact O-OG1 3.13Å
328	K	97.1	Very high	95.3	Very high	56 Å²	56	44.7 Å²	44.7	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-47.7	-179.8	-176.6	173.8	179.2	170.4	0	111.8	S324 H325 A332 V364 M367	S324-K328 WeakPolarHBondContact O-CB 3.37Å; S324-K328 PolarHBondContact O-N 3.41Å; H325-K328 PolarHBondContact O-N 3.21Å; K328-A332 WeakPolarHBondContact O-CB 3.2Å; K328-A332 PolarHBondContact O-N 3.14Å; K328-A332 VanDerWaalsContact O-N 3.12Å; K328-V364 WeakPolarHBondContact CE-O 3.49Å; K328-V364 PolarHBondContact NZ-O 3.36Å; K328-V364 VanDerWaalsContact NZ-O 3.08Å; K328-M367 WeakPolarHBondContact CE-O 3.26Å; K328-M367 HydrophobicContact CG-CB 4.39Å; K328-M367 HydrophobicContact CG-SD 4.3Å; K328-M367 PolarHBondContact NZ-O 3.15Å
329	I	97.8	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.9	-41.2	179.8	-63.7	169.5	0	0	0	111	I55 F56 A59 V61 L310 I314 L317 H325 A326 Q327 A332 C333	I55-I329 HydrophobicContact CG2-CD1 4.44Å; I55-I329 HydrophobicContact CG2-CG1 4.25Å; I55-I329 HydrophobicContact CG2-CG2 3.68Å; F56-I329 HydrophobicContact CD2-CD1 3.91Å; F56-I329 HydrophobicContact CE2-CD1 3.89Å; A59-I329 HydrophobicContact CB-CD1 3.75Å; A59-I329 HydrophobicContact CB-CG1 3.71Å; V61-I329 HydrophobicContact CG2-CD1 3.94Å; L310-I329 HydrophobicContact CD1-CG2 3.74Å; L310-I329 HydrophobicContact CD2-CG2 4.35Å; L310-I329 HydrophobicContact CG-CG2 4.21Å; I314-I329 HydrophobicContact CD1-CG2 4.04Å; I314-I329 HydrophobicContact CG1-CB 4.34Å; I314-I329 HydrophobicContact CG1-CG2 4.09Å; L317-I329 HydrophobicContact CD1-CD1 3.88Å; H325-I329 WeakPolarHBondContact O-CG1 3.23Å; H325-I329 PolarHBondContact O-N 2.86Å; A326-I329 PolarHBondContact O-N 2.96Å; Q327-I329 PolarHBondContact O-N 3.08Å; I329-A332 PolarHBondContact O-N 2.78Å; I329-C333 WeakPolarHBondContact O-CB 3.44Å; I329-C333 PolarHBondContact O-N 3.24Å
330	E	95.8	Very high	95	Very high	17 Å²	17	45 Å²	45	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-49.9	178.5	-173.4	178.5	-104.3	0	0	111.8	I314 R318 A326 Q327 A332 C333 F334	I314-E330 HydrophobicContact CD1-CB 3.8Å; I314-E330 HydrophobicContact CD1-CG 4.34Å; I314-E330 HydrophobicContact CG2-CB 4.19Å; R318-E330 IonicContact CZ-OE1 2.92Å; R318-E330 VanDerWaalsContact CZ-OE1 3.26Å; R318-E330 IonicContact CZ-OE2 3.75Å; R318-E330 IonicContact NH1-OE1 2.68Å; R318-E330 PolarHBondContact NH1-OE1 3.05Å; R318-E330 IonicContact NH2-OE1 2.8Å; R318-E330 PolarHBondContact NH2-OE1 3.38Å; R318-E330 IonicContact NH2-OE2 2.87Å; R318-E330 PolarHBondContact NH2-OE2 2.86Å; A326-E330 VanDerWaalsContact O-CB 3.28Å; A326-E330 WeakPolarHBondContact O-CB 3.39Å; A326-E330 PolarHBondContact O-N 3.04Å; Q327-E330 PolarHBondContact O-N 3.39Å; E330-A332 PolarHBondContact O-N 3.24Å; E330-C333 WeakPolarHBondContact O-CB 3.4Å; E330-C333 PolarHBondContact O-N 3.01Å; E330-C333 VanDerWaalsContact O-N 3.16Å; E330-F334 HydrophobicContact CG-CD2 3.93Å; E330-F334 HydrophobicContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact CG-CE2 3.49Å; E330-F334 HydrophobicContact CG-CZ 3.84Å; E330-F334 PolarHBondContact O-N 3.12Å
331	T	95.4	Very high	94.9	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.233	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-46.1	176.9	-63.9	0	0	0	0	111.1	Q327 C333 F334 D335 M367	Q327-T331 PolarHBondContact NE2-OG1 2.96Å; Q327-T331 VanDerWaalsContact NE2-OG1 3.08Å; Q327-T331 WeakPolarHBondContact O-CB 3.31Å; Q327-T331 PolarHBondContact O-N 3.27Å; Q327-T331 PolarHBondContact O-OG1 3.42Å; Q327-T331 VanDerWaalsContact O-OG1 3.13Å; T331-C333 VanDerWaalsContact C-N 3.28Å; T331-C333 PolarHBondContact O-N 3.38Å; T331-F334 PolarHBondContact O-N 2.95Å; T331-D335 WeakPolarHBondContact O-CB 3.22Å; T331-D335 PolarHBondContact O-N 3.13Å; T331-M367 HydrophobicContact CG2-CE 3.44Å; T331-M367 VanDerWaalsContact CG2-CE 3.44Å; T331-M367 HydrophobicContact CG2-SD 4.37Å
332	A	96.7	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-36.3	176.8	0	0	0	0	0	113.3	K328 I329 E330 T336 I360 R363 V364 M367	K328-A332 WeakPolarHBondContact O-CB 3.2Å; K328-A332 PolarHBondContact O-N 3.14Å; K328-A332 VanDerWaalsContact O-N 3.12Å; I329-A332 PolarHBondContact O-N 2.78Å; E330-A332 PolarHBondContact O-N 3.24Å; A332-T336 WeakPolarHBondContact O-CB 3.33Å; A332-T336 PolarHBondContact O-N 3.49Å; A332-T336 VanDerWaalsContact O-N 3.16Å; A332-T336 PolarHBondContact O-OG1 3.1Å; A332-I360 HydrophobicContact CB-CG2 4.26Å; A332-R363 HydrophobicContact CB-CB 3.84Å; A332-V364 HydrophobicContact CB-CB 4.46Å; A332-V364 HydrophobicContact CB-CG2 3.44Å; A332-V364 VanDerWaalsContact CB-CG2 3.44Å; A332-M367 HydrophobicContact CB-SD 4.03Å
333	C	95.4	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-51.6	175.5	-178.7	0	0	0	0	111.2	L310 I329 E330 T331 T336 I337 I360	L310-C333 HydrophobicContact CD2-CB 4.03Å; I329-C333 WeakPolarHBondContact O-CB 3.44Å; I329-C333 PolarHBondContact O-N 3.24Å; E330-C333 WeakPolarHBondContact O-CB 3.4Å; E330-C333 PolarHBondContact O-N 3.01Å; E330-C333 VanDerWaalsContact O-N 3.16Å; T331-C333 VanDerWaalsContact C-N 3.28Å; T331-C333 PolarHBondContact O-N 3.38Å; C333-T336 WeakPolarHBondContact O-CB 3.48Å; C333-T336 PolarHBondContact O-N 2.92Å; C333-I337 WeakPolarHBondContact O-CG1 3.34Å; C333-I337 PolarHBondContact O-N 2.98Å; C333-I360 HydrophobicContact CB-CD1 4.35Å
334	F	93.8	Very high	94.8	Very high	37 Å²	37	43.2 Å²	43.2	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-42	-179.5	-66.3	-16.9	0	0	0	112.5	I132 L311 E330 T331 T336 I337 Q338	I132-F334 HydrophobicContact CG1-CE1 4.28Å; I132-F334 HydrophobicContact CG2-CD1 4.03Å; I132-F334 HydrophobicContact CG2-CE1 4.18Å; L311-F334 HydrophobicContact CD2-CE1 3.87Å; L311-F334 HydrophobicContact CD2-CZ 4.01Å; E330-F334 HydrophobicContact CG-CD2 3.93Å; E330-F334 HydrophobicContact CG-CE2 3.49Å; E330-F334 VanDerWaalsContact CG-CE2 3.49Å; E330-F334 HydrophobicContact CG-CZ 3.84Å; E330-F334 PolarHBondContact O-N 3.12Å; T331-F334 PolarHBondContact O-N 2.95Å; F334-T336 PolarHBondContact O-N 2.85Å; F334-I337 PolarHBondContact O-N 3.33Å; F334-Q338 WeakPolarHBondContact O-CB 2.86Å; F334-Q338 PolarHBondContact O-N 3.19Å
335	D	94.4	Very high	94.6	Very high	50 Å²	50	46.7 Å²	46.7	27%	0.267	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-33.8	175.4	-65.4	-6.9	0	0	0	111.8	T331 D339 R363	T331-D335 WeakPolarHBondContact O-CB 3.22Å; T331-D335 PolarHBondContact O-N 3.13Å; D335-D339 WeakPolarHBondContact O-CB 3.47Å; D335-D339 PolarHBondContact O-N 3.45Å; D335-D339 VanDerWaalsContact O-N 3.09Å; D335-R363 VanDerWaalsContact CB-NH1 3.32Å; D335-R363 PolarHBondContact O-NH2 3.06Å
336	T	94.9	Very high	94.2	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-40.6	174.5	-58.4	0	0	0	0	111.3	A332 C333 F334 F356 A359 I360 R363	A332-T336 WeakPolarHBondContact O-CB 3.33Å; A332-T336 PolarHBondContact O-N 3.49Å; A332-T336 VanDerWaalsContact O-N 3.16Å; A332-T336 PolarHBondContact O-OG1 3.1Å; C333-T336 WeakPolarHBondContact O-CB 3.48Å; C333-T336 PolarHBondContact O-N 2.92Å; F334-T336 PolarHBondContact O-N 2.85Å; T336-F356 HydrophobicContact CG2-CD2 4.05Å; T336-F356 HydrophobicContact CG2-CE2 3.72Å; T336-A359 HydrophobicContact CG2-CB 3.89Å; T336-I360 HydrophobicContact CG2-CG1 4.14Å; T336-R363 VanDerWaalsContact OG1-CD 3.28Å; T336-R363 WeakPolarHBondContact OG1-CD 3.16Å; T336-R363 PolarHBondContact OG1-NE 2.98Å
337	I	92.8	Very high	93.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-46.2	177.1	-65.9	170.8	0	0	0	110.4	I132 T307 C333 F334 D339 K340 L343 L347 F356	I132-I337 HydrophobicContact CG2-CD1 3.98Å; I132-I337 HydrophobicContact CG2-CG2 4.07Å; T307-I337 HydrophobicContact CG2-CD1 4.3Å; C333-I337 WeakPolarHBondContact O-CG1 3.34Å; C333-I337 PolarHBondContact O-N 2.98Å; F334-I337 PolarHBondContact O-N 3.33Å; I337-D339 VanDerWaalsContact C-N 3.3Å; I337-D339 PolarHBondContact O-N 2.59Å; I337-K340 PolarHBondContact O-N 3.33Å; I337-K340 VanDerWaalsContact O-N 3.11Å; I337-L343 HydrophobicContact CB-CD2 4.42Å; I337-L343 HydrophobicContact CG1-CD2 4.47Å; I337-L343 HydrophobicContact CG2-CD2 4.41Å; I337-L347 HydrophobicContact CD1-CD1 4.36Å; I337-L347 HydrophobicContact CG1-CD1 4.19Å; I337-F356 HydrophobicContact CD1-CZ 4.46Å; I337-F356 HydrophobicContact CG1-CE2 4.32Å; I337-F356 HydrophobicContact CG1-CZ 3.95Å
338	Q	91.9	Very high	93.4	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-34.7	-179.6	-172	178.6	34.3	0	0	113.2	E133 F334 K340	E133-Q338 PolarHBondContact OE1-NE2 3.19Å; F334-Q338 WeakPolarHBondContact O-CB 2.86Å; F334-Q338 PolarHBondContact O-N 3.19Å; Q338-K340 PolarHBondContact O-N 3.04Å
339	D	92.4	Very high	93.2	Very high	60 Å²	60	45.7 Å²	45.7	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.3	177.3	-106.5	59.4	0	0	0	113.8	D335 I337 K341 R363	D335-D339 WeakPolarHBondContact O-CB 3.47Å; D335-D339 PolarHBondContact O-N 3.45Å; D335-D339 VanDerWaalsContact O-N 3.09Å; I337-D339 VanDerWaalsContact C-N 3.3Å; I337-D339 PolarHBondContact O-N 2.59Å; D339-K341 PolarHBondContact O-N 3.02Å; D339-K341 IonicContact OD2-NZ 3.48Å; D339-K341 PolarHBondContact OD2-NZ 3.05Å; D339-R363 IonicContact OD1-CZ 3.77Å; D339-R363 IonicContact OD1-NH1 3.8Å; D339-R363 IonicContact OD1-NH2 2.66Å; D339-R363 PolarHBondContact OD1-NH2 2.99Å; D339-R363 IonicContact OD2-NH2 2.87Å; D339-R363 PolarHBondContact OD2-NH2 3.26Å
340	K	91.1	Very high	93.1	Very high	112 Å²	112	53.1 Å²	53.1	49%	0.487	28%	0.281	S	S	.	.			trans	54.9	12.4	-179.7	-60.3	-177.8	177	-172.8	0	115.9	G134 D136 I337 Q338 L343	G134-K340 WeakPolarHBondContact O-CE 3.34Å; D136-K340 IonicContact OD2-NZ 3.93Å; D136-K340 PolarHBondContact OD2-NZ 3.06Å; I337-K340 PolarHBondContact O-N 3.33Å; I337-K340 VanDerWaalsContact O-N 3.11Å; Q338-K340 PolarHBondContact O-N 3.04Å; K340-L343 HydrophobicContact CB-CD1 4.15Å; K340-L343 HydrophobicContact CG-CD1 4.28Å
341	K	93.3	Very high	93.1	Very high	166 Å²	166	53 Å²	53	72%	0.722	28%	0.283	S	S	*	.	S	Bend	trans	-86.1	-44.2	-177.6	-71.8	169.4	-168	148.8	0	113.5	D339	D339-K341 PolarHBondContact O-N 3.02Å; D339-K341 IonicContact OD2-NZ 3.48Å; D339-K341 PolarHBondContact OD2-NZ 3.05Å
342	V	95.1	Very high	93.2	Very high	45 Å²	45	56 Å²	56	27%	0.273	29%	0.293	S	S	.	.	S	Bend	trans	-122.7	93.3	-177.6	-171.8	0	0	0	0	106	A351 E355 F356 A359	V342-A351 HydrophobicContact CG1-CB 3.58Å; V342-E355 HydrophobicContact CG1-CB 4.24Å; V342-F356 HydrophobicContact CG1-CB 4.48Å; V342-F356 WeakPolarHBondContact O-CD2 3.25Å; V342-F356 WeakPolarHBondContact O-CE2 3.36Å; V342-A359 HydrophobicContact CB-CB 4.09Å; V342-A359 HydrophobicContact CG1-CB 4.11Å; V342-A359 HydrophobicContact CG2-CB 4.23Å
343	L	93.8	Very high	93.3	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.079	29%	0.294	C	S	.	.			trans	-128.4	140.5	-179.1	-66.6	-177.4	0	0	0	109.3	I337 K340 L347 G349 N350 A351 F356	I337-L343 HydrophobicContact CB-CD2 4.42Å; I337-L343 HydrophobicContact CG1-CD2 4.47Å; I337-L343 HydrophobicContact CG2-CD2 4.41Å; K340-L343 HydrophobicContact CB-CD1 4.15Å; K340-L343 HydrophobicContact CG-CD1 4.28Å; L343-L347 HydrophobicContact CB-CB 4.12Å; L343-L347 HydrophobicContact CD1-CB 4.48Å; L343-L347 HydrophobicContact CD2-CB 4.28Å; L343-L347 HydrophobicContact CD2-CD1 4.2Å; L343-G349 CarbonylContact O-C 3.56Å; L343-G349 VanDerWaalsContact O-CA 3.24Å; L343-G349 WeakPolarHBondContact O-CA 3.44Å; L343-N350 PolarHBondContact O-N 2.91Å; L343-N350 VanDerWaalsContact O-N 3.13Å; L343-A351 VanDerWaalsContact O-CB 3.25Å; L343-A351 WeakPolarHBondContact O-CB 3.37Å; L343-A351 PolarHBondContact O-N 3.48Å; L343-F356 HydrophobicContact CD2-CE2 4.39Å
344	T	93.6	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.			trans	-69.9	167.7	169.9	51.9	0	0	0	0	111	N305 D346 L347 G348 G349 F356	N305-T344 HydrophobicContact CB-CG2 4.34Å; N305-T344 WeakPolarHBondContact CB-OG1 3.41Å; T344-D346 VanDerWaalsContact CB-OD1 3.24Å; T344-D346 WeakPolarHBondContact CB-OD1 3.41Å; T344-D346 PolarHBondContact O-N 2.84Å; T344-D346 PolarHBondContact OG1-OD1 3.48Å; T344-L347 CarbonylContact O-C 3.56Å; T344-L347 PolarHBondContact O-N 3.14Å; T344-L347 VanDerWaalsContact O-N 3.08Å; T344-G348 PolarHBondContact O-N 3.04Å; T344-G349 PolarHBondContact O-N 2.86Å; T344-F356 HydrophobicContact CG2-CB 4.13Å; T344-F356 HydrophobicContact CG2-CD1 4.46Å; T344-F356 HydrophobicContact CG2-CG 4.26Å
345	K	92.1	Very high	93.6	Very high	161 Å²	161	61.4 Å²	61.4	70%	0.7	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62	-38.9	-172	-171.8	177.2	179.6	-178.8	0	114.1	L347 G348 G349	K345-L347 PolarHBondContact O-N 3.37Å; K345-G348 PolarHBondContact O-N 2.72Å; K345-G348 VanDerWaalsContact O-N 3.08Å; K345-G349 WeakPolarHBondContact CA-O 3.2Å
346	D	87.7	Confident	93.8	Very high	74 Å²	74	59 Å²	59	40%	0.396	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-66.9	-26.5	176.1	63.1	-47.1	0	0	0	112.9	Y135 N305 T344 G348	Y135-D346 PolarHBondContact OH-O 3.26Å; N305-D346 WeakPolarHBondContact CB-OD1 3.32Å; N305-D346 VanDerWaalsContact CB-OD2 3.24Å; N305-D346 WeakPolarHBondContact CB-OD2 3.25Å; N305-D346 PolarHBondContact ND2-OD2 2.93Å; T344-D346 VanDerWaalsContact CB-OD1 3.24Å; T344-D346 WeakPolarHBondContact CB-OD1 3.41Å; T344-D346 PolarHBondContact O-N 2.84Å; T344-D346 PolarHBondContact OG1-OD1 3.48Å; D346-G348 VanDerWaalsContact C-N 3.29Å
347	L	88.4	Confident	94	Very high	11 Å²	11	59 Å²	59	6%	0.058	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-86.4	2.3	172.1	-61.4	179.9	0	0	0	113.2	Y135 V274 N305 I337 L343 T344 K345 F356	Y135-L347 HydrophobicContact CD2-CD2 3.77Å; Y135-L347 HydrophobicContact CE2-CB 4.29Å; Y135-L347 HydrophobicContact CE2-CD2 3.66Å; Y135-L347 HydrophobicContact CG-CD2 4.44Å; V274-L347 HydrophobicContact CG1-CD2 4Å; N305-L347 WeakPolarHBondContact ND2-CD1 3.17Å; N305-L347 WeakPolarHBondContact ND2-CG 3.35Å; I337-L347 HydrophobicContact CD1-CD1 4.36Å; I337-L347 HydrophobicContact CG1-CD1 4.19Å; L343-L347 HydrophobicContact CB-CB 4.12Å; L343-L347 HydrophobicContact CD1-CB 4.48Å; L343-L347 HydrophobicContact CD2-CB 4.28Å; L343-L347 HydrophobicContact CD2-CD1 4.2Å; T344-L347 CarbonylContact O-C 3.56Å; T344-L347 PolarHBondContact O-N 3.14Å; T344-L347 VanDerWaalsContact O-N 3.08Å; K345-L347 PolarHBondContact O-N 3.37Å; L347-F356 HydrophobicContact CD1-CZ 4.22Å
348	G	89	Confident	94.2	Very high	69 Å²	69	62.1 Å²	62.1	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	8.5	178.7	0	0	0	0	0	115.5	T344 K345 D346	T344-G348 PolarHBondContact O-N 3.04Å; K345-G348 PolarHBondContact O-N 2.72Å; K345-G348 VanDerWaalsContact O-N 3.08Å; D346-G348 VanDerWaalsContact C-N 3.29Å
349	G	92.1	Very high	94.5	Very high	16 Å²	16	59.4 Å²	59.4	17%	0.165	32%	0.318	C	S	.	.	S	Bend	trans	-103.1	-161.9	175	0	0	0	0	0	114.4	L343 T344 K345	L343-G349 CarbonylContact O-C 3.56Å; L343-G349 VanDerWaalsContact O-CA 3.24Å; L343-G349 WeakPolarHBondContact O-CA 3.44Å; T344-G349 PolarHBondContact O-N 2.86Å; K345-G349 WeakPolarHBondContact CA-O 3.2Å
350	N	94.9	Very high	94.8	Very high	156 Å²	156	56.5 Å²	56.5	83%	0.834	30%	0.302	S	S	*	.			trans	-134	10	177.8	-67.8	-59	0	0	0	112.8	L343	L343-N350 PolarHBondContact O-N 2.91Å; L343-N350 VanDerWaalsContact O-N 3.13Å
351	A	97.1	Very high	95.1	Very high	14 Å²	14	51.2 Å²	51.2	12%	0.116	28%	0.279	C	S	.	.			trans	-72.3	150.4	-179.1	0	0	0	0	0	111.1	V342 L343 E355	V342-A351 HydrophobicContact CG1-CB 3.58Å; L343-A351 VanDerWaalsContact O-CB 3.25Å; L343-A351 WeakPolarHBondContact O-CB 3.37Å; L343-A351 PolarHBondContact O-N 3.48Å; A351-E355 WeakPolarHBondContact CA-OE2 3.02Å; A351-E355 HydrophobicContact CB-CB 4.29Å
352	K	97.8	Very high	95.3	Very high	101 Å²	101	47.3 Å²	47.3	44%	0.439	26%	0.264	S	S	.	.			trans	-75.2	161.5	171.3	-65	-178.2	-179.4	-179.5	0	111.8	D302 S354 E355 F356	D302-K352 HydrophobicContact CB-CB 4.49Å; D302-K352 CarbonylContact O-C 3.52Å; D302-K352 WeakPolarHBondContact O-CA 3.48Å; D302-K352 VanDerWaalsContact O-CB 3.25Å; D302-K352 WeakPolarHBondContact O-CB 3.41Å; D302-K352 WeakPolarHBondContact OD2-CB 3.47Å; D302-K352 WeakPolarHBondContact OD2-CD 3.39Å; K352-S354 VanDerWaalsContact C-N 3.26Å; K352-S354 PolarHBondContact O-N 3.28Å; K352-E355 HydrophobicContact CB-CB 4.35Å; K352-E355 HydrophobicContact CB-CG 4.08Å; K352-E355 PolarHBondContact N-OE2 2.91Å; K352-E355 PolarHBondContact O-N 3.34Å; K352-F356 WeakPolarHBondContact O-CB 3.4Å; K352-F356 PolarHBondContact O-N 3.02Å
353	C	97.4	Very high	95.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-55.6	-45.4	172.9	-178.1	0	0	0	0	110.6	D302 A304 F356 T357	D302-C353 PolarHBondContact O-N 3.18Å; D302-C353 VanDerWaalsContact OD1-CB 3.26Å; D302-C353 WeakPolarHBondContact OD1-CB 3.23Å; D302-C353 PolarHBondContact OD1-N 2.69Å; A304-C353 WeakPolarHBondContact O-CB 3.49Å; A304-C353 PolarHBondContact O-SG 2.84Å; A304-C353 VanDerWaalsContact O-SG 3.4Å; C353-F356 PolarHBondContact O-N 3.33Å; C353-T357 WeakPolarHBondContact O-CB 3.4Å; C353-T357 PolarHBondContact O-N 2.8Å; C353-T357 PolarHBondContact O-OG1 3.5Å
354	S	97.9	Very high	95.6	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-41.2	177.8	60.9	0	0	0	0	113.8	D302 K352 T357 E358	D302-S354 WeakPolarHBondContact OD1-CB 3.42Å; D302-S354 PolarHBondContact OD1-N 3.08Å; D302-S354 PolarHBondContact OD1-OG 2.88Å; D302-S354 WeakPolarHBondContact OD2-CB 3.47Å; D302-S354 PolarHBondContact OD2-OG 2.7Å; K352-S354 VanDerWaalsContact C-N 3.26Å; K352-S354 PolarHBondContact O-N 3.28Å; S354-T357 PolarHBondContact O-N 3.39Å; S354-E358 PolarHBondContact O-N 3.46Å
355	E	98.2	Very high	95.7	Very high	96 Å²	96	53.1 Å²	53.1	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-45.8	177.9	-68.3	172.6	155.5	0	0	111.2	V342 A351 K352 T357 E358 A359	V342-E355 HydrophobicContact CG1-CB 4.24Å; A351-E355 WeakPolarHBondContact CA-OE2 3.02Å; A351-E355 HydrophobicContact CB-CB 4.29Å; K352-E355 HydrophobicContact CB-CB 4.35Å; K352-E355 HydrophobicContact CB-CG 4.08Å; K352-E355 PolarHBondContact N-OE2 2.91Å; K352-E355 PolarHBondContact O-N 3.34Å; E355-T357 VanDerWaalsContact C-N 3.31Å; E355-T357 PolarHBondContact O-N 3.46Å; E355-E358 PolarHBondContact O-N 3.38Å; E355-A359 PolarHBondContact O-N 3.12Å
356	F	98	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-43.3	174.9	-172.4	-115.4	0	0	0	111.6	P306 T307 T336 I337 V342 L343 T344 L347 K352 C353 E358 A359 I360	P306-F356 HydrophobicContact CG-CD1 3.81Å; P306-F356 HydrophobicContact CG-CE1 4.26Å; T307-F356 WeakPolarHBondContact OG1-CE1 3.47Å; T336-F356 HydrophobicContact CG2-CD2 4.05Å; T336-F356 HydrophobicContact CG2-CE2 3.72Å; I337-F356 HydrophobicContact CD1-CZ 4.46Å; I337-F356 HydrophobicContact CG1-CE2 4.32Å; I337-F356 HydrophobicContact CG1-CZ 3.95Å; V342-F356 HydrophobicContact CG1-CB 4.48Å; V342-F356 WeakPolarHBondContact O-CD2 3.25Å; V342-F356 WeakPolarHBondContact O-CE2 3.36Å; L343-F356 HydrophobicContact CD2-CE2 4.39Å; T344-F356 HydrophobicContact CG2-CB 4.13Å; T344-F356 HydrophobicContact CG2-CD1 4.46Å; T344-F356 HydrophobicContact CG2-CG 4.26Å; L347-F356 HydrophobicContact CD1-CZ 4.22Å; K352-F356 WeakPolarHBondContact O-CB 3.4Å; K352-F356 PolarHBondContact O-N 3.02Å; C353-F356 PolarHBondContact O-N 3.33Å; F356-E358 PolarHBondContact O-N 3.17Å; F356-A359 PolarHBondContact O-N 3.39Å; F356-I360 HydrophobicContact CD1-CD1 3.96Å; F356-I360 HydrophobicContact CE1-CD1 3.61Å; F356-I360 HydrophobicContact CZ-CD1 3.95Å; F356-I360 WeakPolarHBondContact O-CG1 3.23Å; F356-I360 PolarHBondContact O-N 2.68Å; F356-I360 VanDerWaalsContact O-N 3.13Å
357	T	98.5	Very high	95.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-43.2	176.7	-56.6	0	0	0	0	111.9	A51 K54 I55 C353 S354 E355 I360 C361	A51-T357 HydrophobicContact CB-CG2 3.9Å; A51-T357 VanDerWaalsContact CB-OG1 3.23Å; A51-T357 WeakPolarHBondContact CB-OG1 3.08Å; K54-T357 HydrophobicContact CB-CG2 4.23Å; K54-T357 HydrophobicContact CD-CG2 3.99Å; K54-T357 HydrophobicContact CG-CG2 4.4Å; I55-T357 HydrophobicContact CD1-CG2 4.08Å; I55-T357 HydrophobicContact CG1-CG2 3.89Å; C353-T357 WeakPolarHBondContact O-CB 3.4Å; C353-T357 PolarHBondContact O-N 2.8Å; C353-T357 PolarHBondContact O-OG1 3.5Å; S354-T357 PolarHBondContact O-N 3.39Å; E355-T357 VanDerWaalsContact C-N 3.31Å; E355-T357 PolarHBondContact O-N 3.46Å; T357-I360 PolarHBondContact O-N 2.72Å; T357-C361 PolarHBondContact O-N 2.77Å; T357-C361 PolarHBondContact O-SG 2.9Å
358	E	98.4	Very high	94.6	Very high	69 Å²	69	61.9 Å²	61.9	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-68.1	-38.1	179	-168.2	60.6	-136.5	0	0	111.8	K54 S354 E355 F356 I360 C361 Q362 R365	K54-E358 WeakPolarHBondContact CE-OE2 3.46Å; K54-E358 IonicContact NZ-OE2 3.42Å; K54-E358 PolarHBondContact NZ-OE2 2.83Å; S354-E358 PolarHBondContact O-N 3.46Å; E355-E358 PolarHBondContact O-N 3.38Å; F356-E358 PolarHBondContact O-N 3.17Å; E358-I360 VanDerWaalsContact C-N 3.31Å; E358-I360 PolarHBondContact O-N 3.1Å; E358-C361 WeakPolarHBondContact O-CB 3.47Å; E358-C361 PolarHBondContact O-N 2.85Å; E358-Q362 WeakPolarHBondContact O-CB 3.33Å; E358-Q362 PolarHBondContact O-N 3.16Å; E358-R365 IonicContact OE1-CZ 3.48Å; E358-R365 IonicContact OE1-NH1 3.79Å; E358-R365 PolarHBondContact OE1-NH1 2.91Å; E358-R365 IonicContact OE1-NH2 2.66Å
359	A	98.1	Very high	94.8	Very high	24 Å²	24	61.5 Å²	61.5	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-44	174.8	0	0	0	0	0	111.7	T336 V342 E355 F356 Q362 R363	T336-A359 HydrophobicContact CG2-CB 3.89Å; V342-A359 HydrophobicContact CB-CB 4.09Å; V342-A359 HydrophobicContact CG1-CB 4.11Å; V342-A359 HydrophobicContact CG2-CB 4.23Å; E355-A359 PolarHBondContact O-N 3.12Å; F356-A359 PolarHBondContact O-N 3.39Å; A359-Q362 PolarHBondContact O-N 3.09Å; A359-R363 PolarHBondContact O-N 2.69Å
360	I	98	Very high	95	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-47.2	174.4	-62.7	171.5	0	0	0	110.7	I55 L310 A332 C333 T336 F356 T357 E358 Q362 R363 V364	I55-I360 HydrophobicContact CD1-CB 4.25Å; I55-I360 HydrophobicContact CD1-CD1 4.26Å; I55-I360 HydrophobicContact CD1-CG2 3.98Å; I55-I360 HydrophobicContact CG1-CB 4.48Å; I55-I360 HydrophobicContact CG1-CG2 4.15Å; I55-I360 HydrophobicContact CG2-CG2 4.12Å; L310-I360 HydrophobicContact CD2-CD1 4.05Å; A332-I360 HydrophobicContact CB-CG2 4.26Å; C333-I360 HydrophobicContact CB-CD1 4.35Å; T336-I360 HydrophobicContact CG2-CG1 4.14Å; F356-I360 HydrophobicContact CD1-CD1 3.96Å; F356-I360 HydrophobicContact CE1-CD1 3.61Å; F356-I360 HydrophobicContact CZ-CD1 3.95Å; F356-I360 WeakPolarHBondContact O-CG1 3.23Å; F356-I360 PolarHBondContact O-N 2.68Å; F356-I360 VanDerWaalsContact O-N 3.13Å; T357-I360 PolarHBondContact O-N 2.72Å; E358-I360 VanDerWaalsContact C-N 3.31Å; E358-I360 PolarHBondContact O-N 3.1Å; I360-Q362 VanDerWaalsContact C-N 3.26Å; I360-Q362 PolarHBondContact O-N 3.33Å; I360-R363 PolarHBondContact O-N 3.27Å; I360-V364 HydrophobicContact CG2-CG2 4.26Å; I360-V364 WeakPolarHBondContact O-CG2 3.18Å; I360-V364 PolarHBondContact O-N 3.43Å
361	C	98.4	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.4	-42.6	177.7	-68.9	0	0	0	0	112.1	A58 T357 E358 V364 R365	A58-C361 HydrophobicContact CB-CB 3.9Å; T357-C361 PolarHBondContact O-N 2.77Å; T357-C361 PolarHBondContact O-SG 2.9Å; E358-C361 WeakPolarHBondContact O-CB 3.47Å; E358-C361 PolarHBondContact O-N 2.85Å; C361-V364 PolarHBondContact O-N 2.88Å; C361-R365 WeakPolarHBondContact O-CG 3.45Å; C361-R365 PolarHBondContact O-N 3.37Å
362	Q	97.8	Very high	94.9	Very high	84 Å²	84	61.4 Å²	61.4	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-48.8	179.5	-174	55.2	47.7	0	0	111	E358 A359 I360 V364 R365 D366	E358-Q362 WeakPolarHBondContact O-CB 3.33Å; E358-Q362 PolarHBondContact O-N 3.16Å; A359-Q362 PolarHBondContact O-N 3.09Å; I360-Q362 VanDerWaalsContact C-N 3.26Å; I360-Q362 PolarHBondContact O-N 3.33Å; Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-V364 PolarHBondContact O-N 3.21Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.88Å; Q362-R365 VanDerWaalsContact O-N 3.08Å; Q362-D366 PolarHBondContact NE2-OD1 3.25Å; Q362-D366 PolarHBondContact NE2-OD2 3.43Å; Q362-D366 PolarHBondContact O-N 3.01Å
363	R	97	Very high	94.7	Very high	66 Å²	66	58.9 Å²	58.9	25%	0.249	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-43.8	175.8	-72.1	-168.8	-174.8	-103.8	-4.2	112.7	A332 D335 T336 D339 A359 I360 R365 D366 M367	A332-R363 HydrophobicContact CB-CB 3.84Å; D335-R363 VanDerWaalsContact CB-NH1 3.32Å; D335-R363 PolarHBondContact O-NH2 3.06Å; T336-R363 VanDerWaalsContact OG1-CD 3.28Å; T336-R363 WeakPolarHBondContact OG1-CD 3.16Å; T336-R363 PolarHBondContact OG1-NE 2.98Å; D339-R363 IonicContact OD1-CZ 3.77Å; D339-R363 IonicContact OD1-NH1 3.8Å; D339-R363 IonicContact OD1-NH2 2.66Å; D339-R363 PolarHBondContact OD1-NH2 2.99Å; D339-R363 IonicContact OD2-NH2 2.87Å; D339-R363 PolarHBondContact OD2-NH2 3.26Å; A359-R363 PolarHBondContact O-N 2.69Å; I360-R363 PolarHBondContact O-N 3.27Å; R363-R365 VanDerWaalsContact C-N 3.26Å; R363-R365 PolarHBondContact O-N 3.33Å; R363-D366 PolarHBondContact O-N 3.33Å; R363-D366 VanDerWaalsContact O-N 3.11Å; R363-M367 VanDerWaalsContact O-CG 3.27Å; R363-M367 WeakPolarHBondContact O-CG 3.35Å; R363-M367 PolarHBondContact O-N 2.87Å
364	V	97	Very high	94.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.3	-42.2	175.5	166.8	0	0	0	0	111	A59 K328 A332 I360 C361 Q362	A59-V364 VanDerWaalsContact CA-CG1 3.42Å; A59-V364 HydrophobicContact CB-CG1 3.55Å; K328-V364 WeakPolarHBondContact CE-O 3.49Å; K328-V364 PolarHBondContact NZ-O 3.36Å; K328-V364 VanDerWaalsContact NZ-O 3.08Å; A332-V364 HydrophobicContact CB-CB 4.46Å; A332-V364 HydrophobicContact CB-CG2 3.44Å; A332-V364 VanDerWaalsContact CB-CG2 3.44Å; I360-V364 HydrophobicContact CG2-CG2 4.26Å; I360-V364 WeakPolarHBondContact O-CG2 3.18Å; I360-V364 PolarHBondContact O-N 3.43Å; C361-V364 PolarHBondContact O-N 2.88Å; Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-V364 PolarHBondContact O-N 3.21Å
365	R	95.8	Very high	94.3	Very high	116 Å²	116	63.4 Å²	63.4	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-69.2	-34	177.9	-68.1	172.2	-165.1	130.2	2.2	112.5	E358 C361 Q362 R363 M367	E358-R365 IonicContact OE1-CZ 3.48Å; E358-R365 IonicContact OE1-NH1 3.79Å; E358-R365 PolarHBondContact OE1-NH1 2.91Å; E358-R365 IonicContact OE1-NH2 2.66Å; C361-R365 WeakPolarHBondContact O-CG 3.45Å; C361-R365 PolarHBondContact O-N 3.37Å; Q362-R365 WeakPolarHBondContact O-CB 3.48Å; Q362-R365 PolarHBondContact O-N 2.88Å; Q362-R365 VanDerWaalsContact O-N 3.08Å; R363-R365 VanDerWaalsContact C-N 3.26Å; R363-R365 PolarHBondContact O-N 3.33Å; R365-M367 VanDerWaalsContact C-N 3.34Å
366	D	94.4	Very high	93.9	Very high	104 Å²	104	60.9 Å²	60.9	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-74.8	-25.7	-178.7	-63.8	-24.8	0	0	0	112.6	Q362 R363 K368	Q362-D366 PolarHBondContact NE2-OD1 3.25Å; Q362-D366 PolarHBondContact NE2-OD2 3.43Å; Q362-D366 PolarHBondContact O-N 3.01Å; R363-D366 PolarHBondContact O-N 3.33Å; R363-D366 VanDerWaalsContact O-N 3.11Å; D366-K368 PolarHBondContact O-N 2.63Å; D366-K368 VanDerWaalsContact O-N 3.15Å
367	M	89.5	Confident	93.6	Very high	60 Å²	60	66 Å²	66	30%	0.296	30%	0.302	S	S	.	.			trans	-73.8	98.8	172.9	-67.2	175.4	89	0	0	110.5	K328 T331 A332 R363 R365	K328-M367 WeakPolarHBondContact CE-O 3.26Å; K328-M367 HydrophobicContact CG-CB 4.39Å; K328-M367 HydrophobicContact CG-SD 4.3Å; K328-M367 PolarHBondContact NZ-O 3.15Å; T331-M367 HydrophobicContact CG2-CE 3.44Å; T331-M367 VanDerWaalsContact CG2-CE 3.44Å; T331-M367 HydrophobicContact CG2-SD 4.37Å; A332-M367 HydrophobicContact CB-SD 4.03Å; R363-M367 VanDerWaalsContact O-CG 3.27Å; R363-M367 WeakPolarHBondContact O-CG 3.35Å; R363-M367 PolarHBondContact O-N 2.87Å; R365-M367 VanDerWaalsContact C-N 3.34Å
368	K	60.3	Low	93.2	Very high	266 Å²	266	71.7 Å²	71.7	100%	1.157	33%	0.328	S	S	*	.			trans	-70.2	0	176.5	-73.1	-172.6	178.7	179.8	0	113.2	D366	D366-K368 PolarHBondContact O-N 2.63Å; D366-K368 VanDerWaalsContact O-N 3.15Å

Retrieved 368 of 368 residues in 70.9 ms (Link to these results)

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