A0A087XJH9_POEFO Loading...

NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A087XJH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	31.9	Very low	231 Å²	231	153.1 Å²	153.1	100%	1.138	80%	0.803	S	S	*	*				0	119.9	0	-92.9	169	77.9	0	0	108.7
2	L	28.5	Very low	31.4	Very low	158 Å²	158	154.1 Å²	154.1	83%	0.827	80%	0.804	S	S	*	*			trans	56.3	112.2	149.6	-72.9	135.7	0	0	0	121.2
3	L	26.8	Very low	31.3	Very low	153 Å²	153	155.9 Å²	155.9	80%	0.801	81%	0.814	S	S	*	*			trans	-71.4	155.9	148.9	-128.6	86.8	0	0	0	110.5
4	P	38.6	Very low	31.1	Very low	111 Å²	111	162.8 Å²	162.8	72%	0.721	82%	0.823	S	S	*	*				-143.2	137.3	117.5	17	6.3	0	0	0	114.1
5	L	30.1	Very low	30.8	Very low	137 Å²	137	157.1 Å²	157.1	72%	0.717	82%	0.822	S	S	*	*				70.5	121.9	95.3	-107.1	85.4	0	0	0	113.2
6	L	29.6	Very low	30.7	Very low	132 Å²	132	154 Å²	154	69%	0.691	83%	0.826	S	S	*	*				174.9	152.4	65.5	-97.1	141.7	0	0	0	113.3
7	L	27.1	Very low	30.6	Very low	159 Å²	159	151.4 Å²	151.4	83%	0.832	83%	0.831	S	S	*	*			trans	82.2	124.5	140.1	-68	159.4	0	0	0	123.9
8	L	25.3	Very low	30.7	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	83%	0.83	S	S	*	*			trans	-99.2	-175.3	160.4	-86	154.7	0	0	0	109.7
9	P	42.1	Very low	30.7	Very low	110 Å²	110	153.9 Å²	153.9	71%	0.714	84%	0.836	S	S	*	*				-127.7	-137.5	-50	38.9	-18.6	0	0	0	108.7
10	P	44.1	Very low	30.8	Very low	109 Å²	109	155.8 Å²	155.8	71%	0.708	84%	0.839	S	S	*	*			cis	-133.7	169.8	-26.8	37.2	-19.3	0	0	0	114.9
11	R	28.8	Very low	30.8	Very low	225 Å²	225	155 Å²	155	85%	0.849	84%	0.839	S	S	*	*				171.3	130.4	128.8	-99.1	177.4	172.7	-177.2	-1.3	116
12	M	26.6	Very low	30.9	Very low	165 Å²	165	148.1 Å²	148.1	81%	0.813	82%	0.819	S	S	*	*			trans	39.3	125.7	138.3	-66.1	-176.9	171.4	0	0	121.7
13	L	29.9	Very low	31	Very low	178 Å²	178	145.9 Å²	145.9	93%	0.932	81%	0.814	S	S	*	*				-157.7	131.2	115.6	-100.4	149.6	0	0	0	110.9
14	R	27.9	Very low	31.2	Very low	252 Å²	252	150.3 Å²	150.3	95%	0.951	82%	0.82	S	S	*	*			trans	-87.5	152.9	176.3	-79.5	176.4	166	-173.8	-3.7	110.2
15	G	26.8	Very low	30.7	Very low	78 Å²	78	152.4 Å²	152.4	80%	0.804	82%	0.824	S	S	*	*			trans	138.2	107	138.2	0	0	0	0	0	116.4
16	A	29.9	Very low	30.6	Very low	107 Å²	107	152.1 Å²	152.1	88%	0.884	83%	0.828	S	S	*	*				156.1	118.2	114.8	0	0	0	0	0	110.5
17	A	28.9	Very low	30.6	Very low	110 Å²	110	156.8 Å²	156.8	91%	0.909	84%	0.839	S	S	*	*			trans	-85.6	132.8	175.7	0	0	0	0	0	110.4
18	A	31.7	Very low	30.8	Very low	98 Å²	98	154.4 Å²	154.4	81%	0.81	84%	0.835	S	S	*	*			trans	-119.5	121	166	0	0	0	0	0	109.1	Q20	A18-Q20 PolarHBondContact O-N 3.25Å
19	R	30.8	Very low	31.2	Very low	252 Å²	252	152 Å²	152	95%	0.951	83%	0.832	S	S	*	*			trans	-65.4	121.6	172	-80.4	173.5	166.7	174.4	-4.7	109.2
20	Q	31.8	Very low	30.9	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	83%	0.831	S	S	*	*			trans	-110.2	124.2	160.7	-89.5	-176.1	-10.7	0	0	110	A18	A18-Q20 PolarHBondContact O-N 3.25Å
21	V	32.2	Very low	30.4	Very low	139 Å²	139	150 Å²	150	84%	0.842	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73.8	119.2	175.5	175.5	0	0	0	0	107.8
22	A	30.8	Very low	30.7	Very low	86 Å²	86	148 Å²	148	71%	0.711	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.1	127.7	175.6	0	0	0	0	0	110.3	R24	A22-R24 PolarHBondContact O-N 3.38Å
23	P	31.7	Very low	31.2	Very low	112 Å²	112	144.5 Å²	144.5	73%	0.727	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.3	125.6	168.4	13.5	-2.8	0	0	0	109.6	L25	P23-L25 PolarHBondContact O-N 3.3Å
24	R	30.1	Very low	31.4	Very low	246 Å²	246	144.7 Å²	144.7	93%	0.928	83%	0.827	S	S	*	*			trans	-64.4	99.2	165.4	-88.5	-180	171.6	-178.7	-2.7	108.5	A22 T26	A22-R24 PolarHBondContact O-N 3.38Å; R24-T26 PolarHBondContact O-N 3.01Å
25	L	28.7	Very low	32.2	Very low	154 Å²	154	139 Å²	139	81%	0.806	82%	0.82	S	S	*	*			trans	-74.7	107.6	162.1	-81.9	158.3	0	0	0	108	P23 Y27	P23-L25 PolarHBondContact O-N 3.3Å; L25-Y27 PolarHBondContact O-N 3.36Å
26	T	27.4	Very low	33.3	Very low	131 Å²	131	144.1 Å²	144.1	80%	0.804	82%	0.821	S	S	*	*			trans	-62.5	117.4	165.6	38.8	0	0	0	0	108.2	R24 S28	R24-T26 PolarHBondContact O-N 3.01Å; T26-S28 PolarHBondContact O-N 2.94Å
27	Y	29.1	Very low	34.4	Very low	231 Å²	231	145.1 Å²	145.1	91%	0.906	82%	0.818	S	S	*	*			trans	-64.7	101.3	169.1	-82.9	-91.9	0	0	0	108.1	L25 S29	L25-Y27 PolarHBondContact O-N 3.36Å; Y27-S29 PolarHBondContact O-N 3.48Å
28	S	32.8	Very low	36.4	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	81%	0.807	S	S	*	*			trans	-55	126.2	160.9	-179.7	0	0	0	0	107.7	T26 A30	T26-S28 PolarHBondContact O-N 2.94Å; S28-A30 PolarHBondContact O-N 2.96Å
29	S	32.3	Very low	38.9	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	79%	0.79	S	S	*	*			trans	-54.1	111.8	177.3	44.7	0	0	0	0	109	Y27 A31	Y27-S29 PolarHBondContact O-N 3.48Å; S29-A31 PolarHBondContact O-N 3.32Å
30	A	37	Very low	41.4	Very low	85 Å²	85	141.5 Å²	141.5	70%	0.702	78%	0.781	S	S	*	*			trans	-54.4	113.5	166.1	0	0	0	0	0	107	S28 H32	S28-A30 PolarHBondContact O-N 2.96Å; A30-H32 PolarHBondContact O-N 3.12Å
31	A	33.9	Very low	44.2	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	77%	0.774	S	S	*	*			trans	-45.6	119.6	168.2	0	0	0	0	0	107.1	S29 A33	S29-A31 PolarHBondContact O-N 3.32Å; A31-A33 VanDerWaalsContact C-N 3.25Å; A31-A33 PolarHBondContact O-N 2.69Å
32	H	33.4	Very low	47.2	Very low	182 Å²	182	134.7 Å²	134.7	84%	0.843	74%	0.737	S	S	*	*			trans	-56.3	97.3	170.3	-82.8	23.7	0	0	0	107	A30 Q34	A30-H32 PolarHBondContact O-N 3.12Å; H32-Q34 PolarHBondContact O-N 2.77Å
33	A	38.8	Very low	50	Low	91 Å²	91	131.4 Å²	131.4	75%	0.752	71%	0.712	S	S	*	*			trans	-59.8	98	160.2	0	0	0	0	0	104.7	A31 T35	A31-A33 VanDerWaalsContact C-N 3.25Å; A31-A33 PolarHBondContact O-N 2.69Å; A33-T35 VanDerWaalsContact C-N 3.35Å; A33-T35 PolarHBondContact O-N 3.04Å
34	Q	33.1	Very low	53	Low	182 Å²	182	129.3 Å²	129.3	85%	0.85	70%	0.698	S	S	*	*			trans	-52.9	104.9	172.4	-76.9	177.1	-16	0	0	106.5	H32 K36	H32-Q34 PolarHBondContact O-N 2.77Å; Q34-K36 PolarHBondContact O-N 3.19Å
35	T	45	Very low	56.2	Low	132 Å²	132	118 Å²	118	81%	0.81	66%	0.656	S	S	*	*			trans	-61.6	107.8	171.3	35.6	0	0	0	0	105.8	A33	A33-T35 VanDerWaalsContact C-N 3.35Å; A33-T35 PolarHBondContact O-N 3.04Å
36	K	49.5	Very low	59.4	Low	187 Å²	187	112.7 Å²	112.7	81%	0.813	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-49.3	133	174	-75.1	-176	177.9	-179.2	0	107.9	Q34 K38	Q34-K36 PolarHBondContact O-N 3.19Å; K36-K38 PolarHBondContact O-N 3.1Å; K36-K38 VanDerWaalsContact O-N 3.14Å
37	P	52.5	Low	62.8	Low	127 Å²	127	112.3 Å²	112.3	83%	0.825	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55.6	124.5	-179.9	20	-29.8	0	0	0	109.1	K39	P37-K39 PolarHBondContact O-N 3.46Å
38	K	72.1	Confident	66	Low	158 Å²	158	108.9 Å²	108.9	69%	0.687	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.1	179.4	-73.4	-170.7	172.5	-165.1	0	108.2	K36 T40 E278	K36-K38 PolarHBondContact O-N 3.1Å; K36-K38 VanDerWaalsContact O-N 3.14Å; K38-T40 PolarHBondContact O-N 2.95Å; K38-E278 IonicContact NZ-OE2 3.81Å; K38-E278 PolarHBondContact NZ-OE2 3.27Å
39	K	83.9	Confident	69.2	Low	101 Å²	101	105.1 Å²	105.1	44%	0.439	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-55.1	128	172.1	-175.8	175.7	175.8	-173.5	0	108.6	P37 K41 F42 E301	P37-K39 PolarHBondContact O-N 3.46Å; K39-K41 WeakPolarHBondContact CE-O 3.35Å; K39-K41 WeakPolarHBondContact CG-O 3.36Å; K39-F42 HydrophobicContact CB-CE1 4.12Å; K39-F42 HydrophobicContact CD-CD1 4.06Å; K39-F42 HydrophobicContact CD-CE1 4.09Å; K39-F42 HydrophobicContact CG-CD1 4.22Å; K39-F42 HydrophobicContact CG-CE1 3.96Å; K39-F42 WeakPolarHBondContact O-CZ 3.32Å; K39-E301 IonicContact NZ-OE1 2.75Å; K39-E301 PolarHBondContact NZ-OE1 3.08Å; K39-E301 IonicContact NZ-OE2 3Å; K39-E301 PolarHBondContact NZ-OE2 2.97Å
40	T	84.3	Confident	72.3	Confident	125 Å²	125	102 Å²	102	77%	0.767	56%	0.56	S	S	*	*			trans	-111.3	-15.3	-176.9	53	0	0	0	0	113.7	K38	K38-T40 PolarHBondContact O-N 2.95Å
41	K	89.8	Confident	75.3	Confident	175 Å²	175	98.1 Å²	98.1	76%	0.761	53%	0.527	S	S	*	.			trans	-116.8	132	172.8	-65.4	-172.4	177.1	-173.6	0	108.8	K39	K39-K41 WeakPolarHBondContact CE-O 3.35Å; K39-K41 WeakPolarHBondContact CG-O 3.36Å
42	F	94.3	Very high	78.3	Confident	14 Å²	14	94 Å²	94	6%	0.061	49%	0.492	C	S	.	.			trans	-122.9	144.7	-177.8	-54.3	-81.5	0	0	0	109.4	K39 G276 R277 S303 L346	K39-F42 HydrophobicContact CB-CE1 4.12Å; K39-F42 HydrophobicContact CD-CD1 4.06Å; K39-F42 HydrophobicContact CD-CE1 4.09Å; K39-F42 HydrophobicContact CG-CD1 4.22Å; K39-F42 HydrophobicContact CG-CE1 3.96Å; K39-F42 WeakPolarHBondContact O-CZ 3.32Å; F42-G276 WeakPolarHBondContact CE1-O 3.45Å; F42-R277 HydrophobicContact CD2-CG 4.3Å; F42-R277 HydrophobicContact CE1-CG 4.14Å; F42-R277 HydrophobicContact CE2-CG 3.43Å; F42-R277 VanDerWaalsContact CE2-CG 3.43Å; F42-R277 HydrophobicContact CZ-CB 4.35Å; F42-R277 HydrophobicContact CZ-CG 3.34Å; F42-S303 WeakPolarHBondContact CB-O 2.96Å; F42-L346 HydrophobicContact CD2-CD1 4.49Å
43	G	90.4	Very high	81.4	Confident	17 Å²	17	88.4 Å²	88.4	18%	0.175	47%	0.471	C	S	.	.			trans	75.8	162.5	-162.9	0	0	0	0	0	112.6	E301	G43-E301 PolarHBondContact N-OE2 3.43Å
44	P	93.8	Very high	84.3	Confident	67 Å²	67	84.2 Å²	84.2	44%	0.435	44%	0.436	S	S	.	.	P	Polyproline II helix	cis	-77.6	149.8	-14.1	33.2	-35.7	0	0	0	112.7
45	L	97.3	Very high	87.4	Confident	10 Å²	10	76 Å²	76	5%	0.052	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-77.8	132.2	173.9	-171.7	70	0	0	0	109.9	D49 R50 F275 T283 E299 E300 E301	L45-D49 HydrophobicContact CD1-CB 3.54Å; L45-D49 HydrophobicContact CG-CB 4.05Å; L45-R50 HydrophobicContact CD2-CG 3.88Å; L45-R50 HydrophobicContact CG-CG 4.42Å; L45-R50 PolarHBondContact O-NH2 3.08Å; L45-F275 HydrophobicContact CD1-CD1 3.92Å; L45-F275 HydrophobicContact CD1-CE1 3.67Å; L45-F275 HydrophobicContact CD1-CZ 4.17Å; L45-T283 HydrophobicContact CD1-CG2 3.88Å; L45-T283 HydrophobicContact CD2-CG2 3.55Å; L45-T283 HydrophobicContact CG-CG2 4.39Å; L45-E299 HydrophobicContact CD2-CG 4.31Å; L45-E300 WeakPolarHBondContact CA-OE1 3.44Å; L45-E300 WeakPolarHBondContact CB-OE1 3.31Å; L45-E300 PolarHBondContact N-OE1 2.85Å; L45-E301 HydrophobicContact CB-CB 4.47Å
46	S	97.6	Very high	89.9	Confident	42 Å²	42	75.8 Å²	75.8	29%	0.294	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-73.8	149.6	175	81.8	0	0	0	0	111.1	Q48 D49 R50	S46-Q48 VanDerWaalsContact C-N 3.25Å; S46-Q48 PolarHBondContact O-N 2.78Å; S46-Q48 WeakPolarHBondContact OG-CG 3.32Å; S46-D49 WeakPolarHBondContact O-CA 3.3Å; S46-D49 WeakPolarHBondContact O-CB 3.38Å; S46-D49 PolarHBondContact O-N 2.86Å; S46-D49 VanDerWaalsContact OG-CG 3.22Å; S46-D49 PolarHBondContact OG-N 3.05Å; S46-D49 PolarHBondContact OG-OD2 3Å; S46-R50 PolarHBondContact O-N 3.24Å
47	D	98	Very high	92.2	Very high	123 Å²	123	68.4 Å²	68.4	66%	0.658	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.6	-31.9	-176.9	-71.9	-17.3	0	0	0	113.4	D49 R50	D47-D49 PolarHBondContact O-N 3.41Å; D47-R50 WeakPolarHBondContact O-CB 3.41Å; D47-R50 PolarHBondContact O-N 2.76Å; D47-R50 IonicContact OD1-CZ 3.75Å; D47-R50 IonicContact OD1-NE 2.67Å; D47-R50 PolarHBondContact OD1-NE 3.33Å; D47-R50 IonicContact OD1-NH2 3.94Å
48	Q	97.3	Very high	94.4	Very high	158 Å²	158	72.2 Å²	72.2	74%	0.738	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.1	173.7	61.3	-173.7	25.4	0	0	113.2	S46 R267	S46-Q48 VanDerWaalsContact C-N 3.25Å; S46-Q48 PolarHBondContact O-N 2.78Å; S46-Q48 WeakPolarHBondContact OG-CG 3.32Å; Q48-R267 PolarHBondContact O-NH1 3.29Å; Q48-R267 PolarHBondContact O-NH2 3.18Å
49	D	98.1	Very high	95.6	Very high	30 Å²	30	70.4 Å²	70.4	16%	0.16	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-90.3	-9.7	176.7	-67.9	-43.6	0	0	0	113.3	L45 S46 D47 R267 W271 F275	L45-D49 HydrophobicContact CD1-CB 3.54Å; L45-D49 HydrophobicContact CG-CB 4.05Å; S46-D49 WeakPolarHBondContact O-CA 3.3Å; S46-D49 WeakPolarHBondContact O-CB 3.38Å; S46-D49 PolarHBondContact O-N 2.86Å; S46-D49 VanDerWaalsContact OG-CG 3.22Å; S46-D49 PolarHBondContact OG-N 3.05Å; S46-D49 PolarHBondContact OG-OD2 3Å; D47-D49 PolarHBondContact O-N 3.41Å; D49-R267 IonicContact OD1-NH2 2.91Å; D49-R267 PolarHBondContact OD1-NH2 2.9Å; D49-W271 HydrophobicContact CB-CZ2 4.34Å; D49-W271 WeakPolarHBondContact O-CZ2 3.35Å; D49-W271 PolarHBondContact OD1-NE1 2.69Å; D49-F275 HydrophobicContact CB-CE1 4.24Å; D49-F275 HydrophobicContact CB-CZ 3.75Å
50	R	98.6	Very high	96.3	Very high	42 Å²	42	69 Å²	69	16%	0.158	35%	0.348	C	S	.	.			trans	-67.5	133.4	174.2	-61.3	177.8	-174.1	-69.1	-10.2	110.5	L45 S46 D47 T53 E299 E300	L45-R50 HydrophobicContact CD2-CG 3.88Å; L45-R50 HydrophobicContact CG-CG 4.42Å; L45-R50 PolarHBondContact O-NH2 3.08Å; S46-R50 PolarHBondContact O-N 3.24Å; D47-R50 WeakPolarHBondContact O-CB 3.41Å; D47-R50 PolarHBondContact O-N 2.76Å; D47-R50 IonicContact OD1-CZ 3.75Å; D47-R50 IonicContact OD1-NE 2.67Å; D47-R50 PolarHBondContact OD1-NE 3.33Å; D47-R50 IonicContact OD1-NH2 3.94Å; R50-T53 WeakPolarHBondContact O-CG2 3.42Å; R50-E299 WeakPolarHBondContact CA-OE2 3.34Å; R50-E299 WeakPolarHBondContact CB-OE2 3.32Å; R50-E299 PolarHBondContact NH1-O 3.4Å; R50-E300 IonicContact CZ-OE2 2.71Å; R50-E300 IonicContact NH1-OE2 3.91Å; R50-E300 IonicContact NH2-OE2 2.67Å; R50-E300 PolarHBondContact NH2-OE2 2.77Å
51	I	98.8	Very high	97	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	-85.7	-37.5	176.3	-62.7	176.2	0	0	0	110.3	T53 K147 V260 A263 W271 F272 E299	I51-T53 PolarHBondContact O-N 2.77Å; I51-K147 HydrophobicContact CG2-CD 4.1Å; I51-K147 WeakPolarHBondContact O-CE 3.49Å; I51-K147 PolarHBondContact O-NZ 2.92Å; I51-V260 HydrophobicContact CD1-CB 4.01Å; I51-V260 HydrophobicContact CD1-CG1 3.86Å; I51-V260 HydrophobicContact CG2-CB 4.48Å; I51-V260 HydrophobicContact CG2-CG1 4.11Å; I51-A263 HydrophobicContact CD1-CB 4.31Å; I51-A263 HydrophobicContact CG1-CB 4.23Å; I51-A263 HydrophobicContact CG2-CB 3.73Å; I51-W271 HydrophobicContact CD1-CH2 3.97Å; I51-W271 HydrophobicContact CD1-CZ3 4.16Å; I51-W271 HydrophobicContact CG1-CH2 3.8Å; I51-W271 HydrophobicContact CG1-CZ3 4.37Å; I51-F272 HydrophobicContact CD1-CD2 3.91Å; I51-F272 HydrophobicContact CD1-CE2 3.67Å; I51-E299 WeakPolarHBondContact CB-OE1 3.32Å; I51-E299 VanDerWaalsContact N-CD 3.31Å; I51-E299 PolarHBondContact N-OE1 2.84Å; I51-E299 PolarHBondContact N-OE2 2.86Å
52	F	98.6	Very high	97.4	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.026	31%	0.308	C	S	.	.			trans	-94.7	70.9	-177.2	-60.1	-74.3	0	0	0	110.7	N54 L55 I140 K147 E256 A259 V260 L285 E299	F52-N54 VanDerWaalsContact C-N 3.34Å; F52-N54 PolarHBondContact O-N 2.75Å; F52-L55 HydrophobicContact CB-CB 4.33Å; F52-L55 HydrophobicContact CB-CD1 4.29Å; F52-L55 WeakPolarHBondContact O-CB 3.42Å; F52-L55 PolarHBondContact O-N 3.18Å; F52-I140 HydrophobicContact CD1-CD1 4.18Å; F52-I140 HydrophobicContact CD1-CG1 3.84Å; F52-I140 HydrophobicContact CE1-CD1 3.49Å; F52-I140 VanDerWaalsContact CE1-CD1 3.49Å; F52-I140 HydrophobicContact CE1-CG1 3.63Å; F52-I140 HydrophobicContact CE1-CG2 4.27Å; F52-I140 HydrophobicContact CE2-CD1 4.5Å; F52-I140 HydrophobicContact CZ-CD1 3.67Å; F52-I140 HydrophobicContact CZ-CG1 4.27Å; F52-K147 HydrophobicContact CD1-CD 3.89Å; F52-K147 HydrophobicContact CE1-CD 4Å; F52-E256 HydrophobicContact CE2-CG 3.98Å; F52-E256 HydrophobicContact CZ-CG 3.93Å; F52-A259 HydrophobicContact CE1-CB 3.79Å; F52-A259 HydrophobicContact CZ-CB 4.16Å; F52-V260 HydrophobicContact CE2-CG1 3.67Å; F52-V260 HydrophobicContact CZ-CG1 3.59Å; F52-L285 HydrophobicContact CB-CD2 4.42Å; F52-L285 HydrophobicContact CD2-CD1 3.83Å; F52-L285 HydrophobicContact CD2-CD2 3.86Å; F52-L285 HydrophobicContact CD2-CG 3.82Å; F52-L285 HydrophobicContact CE2-CD1 3.82Å; F52-L285 HydrophobicContact CE2-CG 3.98Å; F52-L285 HydrophobicContact CG-CD1 4.25Å; F52-L285 HydrophobicContact CG-CD2 4.35Å; F52-L285 HydrophobicContact CZ-CD1 4.25Å; F52-E299 HydrophobicContact CD2-CG 4.43Å; F52-E299 PolarHBondContact N-OE2 3.46Å
53	T	98.3	Very high	97.6	Very high	65 Å²	65	63.8 Å²	63.8	40%	0.399	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.8	-169.5	50.2	0	0	0	0	115	R50 I51 R69	R50-T53 WeakPolarHBondContact O-CG2 3.42Å; I51-T53 PolarHBondContact O-N 2.77Å; T53-R69 WeakPolarHBondContact OG1-CD 3.42Å
54	N	98.4	Very high	98	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.011	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	28.8	173.3	-166.7	36.3	0	0	0	112.1	F52 Y56 G57 R58 H59 H143 D144	F52-N54 VanDerWaalsContact C-N 3.34Å; F52-N54 PolarHBondContact O-N 2.75Å; N54-Y56 PolarHBondContact O-N 2.91Å; N54-G57 PolarHBondContact O-N 3.19Å; N54-R58 PolarHBondContact OD1-N 2.91Å; N54-R58 VanDerWaalsContact OD1-N 3.1Å; N54-H59 PolarHBondContact ND2-O 3.41Å; N54-H59 WeakPolarHBondContact OD1-CA 3.49Å; N54-H59 WeakPolarHBondContact OD1-CB 3.25Å; N54-H59 PolarHBondContact OD1-N 3.26Å; N54-H59 PolarHBondContact OD1-O 2.83Å; N54-H143 PolarHBondContact ND2-O 3.46Å; N54-H143 WeakPolarHBondContact O-CB 3.32Å; N54-D144 WeakPolarHBondContact CA-OD2 3.22Å; N54-D144 VanDerWaalsContact CB-OD1 3.29Å; N54-D144 WeakPolarHBondContact CB-OD1 3.35Å; N54-D144 WeakPolarHBondContact CB-OD2 2.92Å; N54-D144 PolarHBondContact N-OD2 3.27Å
55	L	98.4	Very high	98.3	Very high	9 Å²	9	68 Å²	68	5%	0.047	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-30.5	-177.9	-173.3	66.2	0	0	0	114	F52 E139 H143 L285 T297	F52-L55 HydrophobicContact CB-CB 4.33Å; F52-L55 HydrophobicContact CB-CD1 4.29Å; F52-L55 WeakPolarHBondContact O-CB 3.42Å; F52-L55 PolarHBondContact O-N 3.18Å; L55-E139 HydrophobicContact CD1-CB 3.6Å; L55-E139 HydrophobicContact CD1-CG 4.44Å; L55-E139 HydrophobicContact CG-CB 4.42Å; L55-H143 PolarHBondContact O-ND1 3Å; L55-L285 HydrophobicContact CD1-CD1 4.35Å; L55-L285 HydrophobicContact CD1-CD2 3.79Å; L55-L285 HydrophobicContact CD2-CD2 3.63Å; L55-L285 HydrophobicContact CG-CD2 4.38Å; L55-T297 HydrophobicContact CD2-CG2 4.31Å
56	Y	98.4	Very high	98.3	Very high	129 Å²	129	67.5 Å²	67.5	51%	0.506	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.9	-178.5	-54.8	-52.4	0	0	0	114.9	N54 R58 T297	N54-Y56 PolarHBondContact O-N 2.91Å; Y56-R58 PolarHBondContact O-N 2.65Å; Y56-T297 WeakPolarHBondContact CE1-O 3.35Å; Y56-T297 PolarHBondContact OH-O 2.7Å
57	G	98	Very high	98.4	Very high	32 Å²	32	70 Å²	70	33%	0.33	33%	0.327	S	S	.	.	S	Bend	trans	64.1	24.2	177.8	0	0	0	0	0	114.6	N54 H59 H143	N54-G57 PolarHBondContact O-N 3.19Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H143 PolarHBondContact N-ND1 3.09Å
58	R	98.3	Very high	98.4	Very high	206 Å²	206	73 Å²	73	78%	0.777	33%	0.334	S	S	*	.			trans	-76.3	-20.9	-179.4	-59.6	-58.8	-173.5	92.6	1.2	113	N54 Y56	N54-R58 PolarHBondContact OD1-N 2.91Å; N54-R58 VanDerWaalsContact OD1-N 3.1Å; Y56-R58 PolarHBondContact O-N 2.65Å
59	H	98.2	Very high	98.4	Very high	121 Å²	121	68 Å²	68	56%	0.56	31%	0.308	S	S	*	.	S	Bend	trans	-116	167.1	177.3	-55.4	89.1	0	0	0	110.5	N54 G57 W61	N54-H59 PolarHBondContact ND2-O 3.41Å; N54-H59 WeakPolarHBondContact OD1-CA 3.49Å; N54-H59 WeakPolarHBondContact OD1-CB 3.25Å; N54-H59 PolarHBondContact OD1-N 3.26Å; N54-H59 PolarHBondContact OD1-O 2.83Å; G57-H59 VanDerWaalsContact C-N 3.31Å; H59-W61 PolarHBondContact O-N 3.06Å
60	D	98.4	Very high	98.4	Very high	70 Å²	70	67.8 Å²	67.8	37%	0.374	31%	0.313	S	S	.	.			trans	-60.2	120.7	177.4	-179.1	18.6	0	0	0	111.4	R62 G65 R69	D60-R62 VanDerWaalsContact C-N 3.31Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.22Å; D60-R62 WeakPolarHBondContact OD1-CG 3.31Å; D60-R62 PolarHBondContact OD1-N 2.68Å; D60-G65 WeakPolarHBondContact O-CA 3.42Å; D60-R69 PolarHBondContact O-NH1 3.46Å; D60-R69 PolarHBondContact O-NH2 3.45Å
61	W	98.6	Very high	98.4	Very high	48 Å²	48	65.9 Å²	65.9	18%	0.182	31%	0.306	C	S	.	.			trans	-79.9	-13.5	178.9	60.2	-98.8	0	0	0	113	H59 H143 P145 H146 N178 V181 A182	H59-W61 PolarHBondContact O-N 3.06Å; W61-H143 WeakPolarHBondContact CB-O 3.25Å; W61-P145 HydrophobicContact CE3-CG 3.71Å; W61-P145 HydrophobicContact CZ3-CG 4.28Å; W61-H146 PolarHBondContact O-CD2 3.2Å; W61-N178 HydrophobicContact CH2-CB 3.95Å; W61-N178 HydrophobicContact CZ2-CB 4.26Å; W61-N178 HydrophobicContact CZ3-CB 4.18Å; W61-N178 WeakPolarHBondContact CZ3-O 3.3Å; W61-V181 HydrophobicContact CH2-CB 3.98Å; W61-V181 HydrophobicContact CH2-CG1 3.85Å; W61-V181 HydrophobicContact CZ3-CB 4.35Å; W61-V181 HydrophobicContact CZ3-CG1 4.23Å; W61-A182 HydrophobicContact CZ3-CB 4.33Å
62	R	98.7	Very high	98.4	Very high	131 Å²	131	66.5 Å²	66.5	49%	0.494	31%	0.308	S	S	.	.	S	Bend	trans	-74.4	174	179.3	-57.9	-178.8	-163.8	175.2	6.1	112.2	D60 K64 G65 A66 E185	D60-R62 VanDerWaalsContact C-N 3.31Å; D60-R62 VanDerWaalsContact OD1-CB 3.28Å; D60-R62 WeakPolarHBondContact OD1-CB 3.22Å; D60-R62 WeakPolarHBondContact OD1-CG 3.31Å; D60-R62 PolarHBondContact OD1-N 2.68Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.03Å; R62-K64 VanDerWaalsContact O-N 3.17Å; R62-G65 PolarHBondContact O-N 3.44Å; R62-A66 PolarHBondContact O-N 2.95Å; R62-E185 WeakPolarHBondContact CB-OE2 3.39Å
63	L	98.8	Very high	98.5	Very high	26 Å²	26	72.6 Å²	72.6	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-54.5	-41.7	-172.8	-178	59.4	0	0	0	113	G65 A66 L67 H146 E185 A189 L191	L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.37Å; L63-A66 PolarHBondContact O-N 2.89Å; L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CD2 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.06Å; L63-L67 HydrophobicContact CG-CG 4.31Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.44Å; L63-H146 WeakPolarHBondContact CA-NE2 3.14Å; L63-H146 PolarHBondContact N-CD2 3.23Å; L63-H146 PolarHBondContact N-NE2 3.21Å; L63-E185 HydrophobicContact CB-CB 4.22Å; L63-E185 VanDerWaalsContact CB-OE2 3.27Å; L63-E185 WeakPolarHBondContact CB-OE2 3.35Å; L63-E185 HydrophobicContact CD2-CB 4.47Å; L63-E185 PolarHBondContact N-OE2 2.67Å; L63-A189 HydrophobicContact CD2-CB 3.73Å; L63-L191 HydrophobicContact CD1-CD1 3.68Å; L63-L191 HydrophobicContact CD2-CD1 4.19Å
64	K	98.5	Very high	98.5	Very high	167 Å²	167	74.8 Å²	74.8	73%	0.726	34%	0.336	S	S	*	.	H	α-helix	trans	-60.5	-42.2	179.4	-70.6	-173	-179.2	-179.1	0	112.2	R62	R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.03Å; R62-K64 VanDerWaalsContact O-N 3.17Å
65	G	98.6	Very high	98.5	Very high	6 Å²	6	74.9 Å²	74.9	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-69.9	-43.6	174.9	0	0	0	0	0	112.2	D60 R62 L63 L67 K68 R69	D60-G65 WeakPolarHBondContact O-CA 3.42Å; R62-G65 PolarHBondContact O-N 3.44Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.37Å; G65-L67 PolarHBondContact O-N 3.4Å; G65-K68 WeakPolarHBondContact O-CB 3.49Å; G65-K68 PolarHBondContact O-N 3.48Å; G65-K68 VanDerWaalsContact O-N 3.15Å; G65-R69 PolarHBondContact O-N 3.12Å; G65-R69 PolarHBondContact O-NH1 3.29Å; G65-R69 VanDerWaalsContact O-NH1 3.09Å
66	A	98.7	Very high	98.5	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-44.6	179.9	0	0	0	0	0	112.3	R62 L63 K68 R69 G70 D71 H146	R62-A66 PolarHBondContact O-N 2.95Å; L63-A66 PolarHBondContact O-N 2.89Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 2.88Å; A66-R69 PolarHBondContact O-N 2.93Å; A66-G70 PolarHBondContact O-N 2.93Å; A66-D71 HydrophobicContact CB-CB 4.04Å; A66-D71 WeakPolarHBondContact O-CB 3.48Å; A66-D71 PolarHBondContact O-N 3.38Å; A66-D71 VanDerWaalsContact O-N 3.1Å; A66-H146 HydrophobicContact CB-CB 3.55Å
67	L	98.6	Very high	98.5	Very high	93 Å²	93	77.2 Å²	77.2	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-39.2	176.3	-70.5	170.8	0	0	0	112.5	L63 G65 R69 G70 W72	L63-L67 HydrophobicContact CD1-CD1 4.25Å; L63-L67 HydrophobicContact CD1-CD2 4.38Å; L63-L67 HydrophobicContact CD1-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.06Å; L63-L67 HydrophobicContact CG-CG 4.31Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.44Å; G65-L67 PolarHBondContact O-N 3.4Å; L67-R69 PolarHBondContact O-N 2.94Å; L67-G70 PolarHBondContact O-N 2.84Å; L67-W72 HydrophobicContact CD2-CB 3.91Å
68	K	98.4	Very high	98.5	Very high	188 Å²	188	76.1 Å²	76.1	82%	0.817	34%	0.337	S	S	*	.	H	α-helix	trans	-66.5	-26.4	176.9	-69	178.8	179.5	-175.8	0	113	G65 A66 G70	G65-K68 WeakPolarHBondContact O-CB 3.49Å; G65-K68 PolarHBondContact O-N 3.48Å; G65-K68 VanDerWaalsContact O-N 3.15Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 2.88Å; K68-G70 VanDerWaalsContact C-N 3.31Å
69	R	98.3	Very high	98.5	Very high	52 Å²	52	66.4 Å²	66.4	20%	0.196	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.1	177.4	-62.9	-171.3	-60.3	-84.3	9	113.1	T53 D60 G65 A66 L67 D144	T53-R69 WeakPolarHBondContact OG1-CD 3.42Å; D60-R69 PolarHBondContact O-NH1 3.46Å; D60-R69 PolarHBondContact O-NH2 3.45Å; G65-R69 PolarHBondContact O-N 3.12Å; G65-R69 PolarHBondContact O-NH1 3.29Å; G65-R69 VanDerWaalsContact O-NH1 3.09Å; A66-R69 PolarHBondContact O-N 2.93Å; L67-R69 PolarHBondContact O-N 2.94Å; R69-D144 IonicContact CZ-OD1 3.3Å; R69-D144 IonicContact NE-OD1 2.86Å; R69-D144 PolarHBondContact NE-OD1 3.16Å; R69-D144 IonicContact NH2-OD1 3.41Å; R69-D144 PolarHBondContact NH2-OD1 3.45Å
70	G	98.1	Very high	98.6	Very high	26 Å²	26	65.6 Å²	65.6	27%	0.268	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	11.2	178.6	0	0	0	0	0	114.8	A66 L67 K68 Y73 R266	A66-G70 PolarHBondContact O-N 2.93Å; L67-G70 PolarHBondContact O-N 2.84Å; K68-G70 VanDerWaalsContact C-N 3.31Å; G70-Y73 WeakPolarHBondContact O-CB 3.49Å; G70-R266 PolarHBondContact O-NE 3.35Å; G70-R266 PolarHBondContact O-NH2 3.15Å
71	D	98.6	Very high	98.6	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.011	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	148.5	166.3	-62.6	-33.8	0	0	0	109.6	A66 Y73 K147 R266	A66-D71 HydrophobicContact CB-CB 4.04Å; A66-D71 WeakPolarHBondContact O-CB 3.48Å; A66-D71 PolarHBondContact O-N 3.38Å; A66-D71 VanDerWaalsContact O-N 3.1Å; D71-Y73 PolarHBondContact O-N 2.87Å; D71-Y73 VanDerWaalsContact O-N 3.12Å; D71-K147 IonicContact OD1-NZ 3.06Å; D71-K147 PolarHBondContact OD1-NZ 3.1Å; D71-K147 IonicContact OD2-NZ 3.03Å; D71-R266 IonicContact OD1-NH2 3.95Å
72	W	98.8	Very high	98.5	Very high	18 Å²	18	66.3 Å²	66.3	7%	0.068	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	9.5	-172.6	-56.8	101.2	0	0	0	115.6	L67 K74 T75 H146 I149 E150 L153 A186 L191 I192	L67-W72 HydrophobicContact CD2-CB 3.91Å; W72-K74 PolarHBondContact O-N 2.9Å; W72-T75 WeakPolarHBondContact CA-OG1 3.5Å; W72-T75 HydrophobicContact CE3-CG2 4.15Å; W72-T75 HydrophobicContact CZ3-CG2 4.27Å; W72-T75 PolarHBondContact O-OG1 2.96Å; W72-H146 AromaticContact NE1-CG 3.81Å; W72-H146 AromaticContact NE1-ND1 3.39Å; W72-H146 PolarHBondContact NE1-ND1 3.3Å; W72-I149 HydrophobicContact CH2-CG2 3.96Å; W72-I149 HydrophobicContact CZ2-CB 4.02Å; W72-I149 HydrophobicContact CZ2-CG2 3.71Å; W72-E150 WeakPolarHBondContact CA-OE1 3.42Å; W72-E150 HydrophobicContact CD2-CB 4.06Å; W72-E150 HydrophobicContact CD2-CG 4.2Å; W72-E150 HydrophobicContact CE3-CB 4.13Å; W72-E150 HydrophobicContact CE3-CG 3.94Å; W72-E150 HydrophobicContact CH2-CB 3.97Å; W72-E150 HydrophobicContact CH2-CG 4.45Å; W72-E150 HydrophobicContact CZ2-CB 3.88Å; W72-E150 HydrophobicContact CZ3-CB 4.1Å; W72-E150 HydrophobicContact CZ3-CG 4.08Å; W72-E150 VanDerWaalsContact N-CD 3.27Å; W72-E150 PolarHBondContact N-OE1 2.95Å; W72-E150 PolarHBondContact N-OE2 3.46Å; W72-L153 HydrophobicContact CZ3-CD2 3.84Å; W72-A186 HydrophobicContact CZ2-CB 4.34Å; W72-L191 HydrophobicContact CB-CD1 4.48Å; W72-L191 HydrophobicContact CB-CD2 4.5Å; W72-L191 HydrophobicContact CD2-CB 4.23Å; W72-L191 HydrophobicContact CD2-CD1 3.74Å; W72-L191 HydrophobicContact CD2-CD2 4.28Å; W72-L191 HydrophobicContact CD2-CG 4.3Å; W72-L191 HydrophobicContact CE3-CB 3.91Å; W72-L191 HydrophobicContact CE3-CD1 4.22Å; W72-L191 HydrophobicContact CE3-CD2 4.06Å; W72-L191 HydrophobicContact CE3-CG 4.28Å; W72-L191 HydrophobicContact CG-CD1 3.84Å; W72-L191 HydrophobicContact CG-CD2 4.47Å; W72-L191 HydrophobicContact CH2-CB 3.96Å; W72-L191 HydrophobicContact CZ2-CB 4.28Å; W72-L191 HydrophobicContact CZ2-CD1 4.46Å; W72-L191 HydrophobicContact CZ3-CB 3.77Å; W72-I192 HydrophobicContact CH2-CG2 3.86Å
73	Y	98.7	Very high	98.4	Very high	133 Å²	133	61.6 Å²	61.6	52%	0.522	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	124.2	176.3	179.6	-111.1	0	0	0	111	G70 D71 T75 R266	G70-Y73 WeakPolarHBondContact O-CB 3.49Å; D71-Y73 PolarHBondContact O-N 2.87Å; D71-Y73 VanDerWaalsContact O-N 3.12Å; Y73-T75 PolarHBondContact O-N 2.83Å; Y73-T75 VanDerWaalsContact O-N 3.1Å; Y73-R266 WeakPolarHBondContact O-CD 3.05Å
74	K	98.4	Very high	98.4	Very high	112 Å²	112	65.7 Å²	65.7	49%	0.487	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.2	179.4	-67.2	-175.7	172.8	178	0	114.8	W72 K76 E77 I78	W72-K74 PolarHBondContact O-N 2.9Å; K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 3.36Å; K74-E77 WeakPolarHBondContact CA-OE2 3.46Å; K74-E77 HydrophobicContact CB-CB 4.45Å; K74-E77 PolarHBondContact O-N 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.33Å; K74-I78 PolarHBondContact O-N 2.79Å; K74-I78 VanDerWaalsContact O-N 3.08Å
75	T	98.8	Very high	98.4	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-39.8	179.7	-40.2	0	0	0	0	110.6	W72 Y73 E77 I78 I79 E150 L153 V154	W72-T75 WeakPolarHBondContact CA-OG1 3.5Å; W72-T75 HydrophobicContact CE3-CG2 4.15Å; W72-T75 HydrophobicContact CZ3-CG2 4.27Å; W72-T75 PolarHBondContact O-OG1 2.96Å; Y73-T75 PolarHBondContact O-N 2.83Å; Y73-T75 VanDerWaalsContact O-N 3.1Å; T75-E77 VanDerWaalsContact C-N 3.3Å; T75-E77 PolarHBondContact O-N 3.08Å; T75-I78 WeakPolarHBondContact O-CB 3.43Å; T75-I78 PolarHBondContact O-N 2.82Å; T75-I79 HydrophobicContact CG2-CG1 4.35Å; T75-I79 WeakPolarHBondContact O-CG1 3.31Å; T75-I79 PolarHBondContact O-N 3.3Å; T75-E150 HydrophobicContact CG2-CG 3.94Å; T75-E150 PolarHBondContact OG1-OE1 3.03Å; T75-L153 HydrophobicContact CG2-CD2 3.95Å; T75-V154 HydrophobicContact CG2-CG2 4.32Å
76	K	98.6	Very high	98.4	Very high	89 Å²	89	60.3 Å²	60.3	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-54	-48.3	175.7	178.9	178.4	175.1	160	0	111.4	K74 I79 L80 C197 G198	K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 3.36Å; K76-I79 PolarHBondContact O-N 3.29Å; K76-L80 HydrophobicContact CD-CD1 4.49Å; K76-L80 HydrophobicContact CG-CD1 3.89Å; K76-L80 HydrophobicContact CG-CG 4.4Å; K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 VanDerWaalsContact O-CG 3.27Å; K76-L80 WeakPolarHBondContact O-CG 3.34Å; K76-L80 PolarHBondContact O-N 2.86Å; K76-C197 HydrophobicContact CB-CB 4.2Å; K76-C197 WeakPolarHBondContact CD-O 3.43Å; K76-C197 WeakPolarHBondContact CG-O 3.41Å; K76-G198 WeakPolarHBondContact CE-O 3.4Å; K76-G198 PolarHBondContact NZ-O 3.35Å
77	E	98.7	Very high	98.3	Very high	98 Å²	98	60.4 Å²	60.4	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-41.5	-180	-66.2	80.6	172.8	0	0	111.3	K74 T75 I79 L80 K81	K74-E77 WeakPolarHBondContact CA-OE2 3.46Å; K74-E77 HydrophobicContact CB-CB 4.45Å; K74-E77 PolarHBondContact O-N 3.31Å; T75-E77 VanDerWaalsContact C-N 3.3Å; T75-E77 PolarHBondContact O-N 3.08Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 2.9Å; E77-L80 PolarHBondContact O-N 2.97Å; E77-K81 WeakPolarHBondContact O-CG 3.5Å; E77-K81 PolarHBondContact O-N 2.99Å
78	I	98.7	Very high	98.3	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.046	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-47	173.1	-71.5	166.1	0	0	0	110.6	K74 T75 L80 K81 W85 I86 V154 C265 R266	K74-I78 WeakPolarHBondContact O-CG1 3.33Å; K74-I78 PolarHBondContact O-N 2.79Å; K74-I78 VanDerWaalsContact O-N 3.08Å; T75-I78 WeakPolarHBondContact O-CB 3.43Å; T75-I78 PolarHBondContact O-N 2.82Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 3.08Å; I78-K81 PolarHBondContact O-N 3.43Å; I78-W85 HydrophobicContact CB-CZ3 4.5Å; I78-W85 HydrophobicContact CG1-CZ3 4.34Å; I78-W85 HydrophobicContact CG2-CZ3 4.17Å; I78-I86 HydrophobicContact CG2-CD1 4.22Å; I78-I86 HydrophobicContact CG2-CG1 4.23Å; I78-V154 HydrophobicContact CG2-CG1 4.19Å; I78-V154 HydrophobicContact CG2-CG2 4.09Å; I78-C265 HydrophobicContact CD1-CB 3.94Å; I78-C265 HydrophobicContact CG1-CB 4.23Å; I78-C265 HydrophobicContact CG2-CB 4.09Å; I78-R266 HydrophobicContact CD1-CG 3.74Å
79	I	98.6	Very high	98.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-35.7	-178.7	-62.2	-62.6	0	0	0	112.1	T75 K76 E77 G82 L153 V154 R157 S199	T75-I79 HydrophobicContact CG2-CG1 4.35Å; T75-I79 WeakPolarHBondContact O-CG1 3.31Å; T75-I79 PolarHBondContact O-N 3.3Å; K76-I79 PolarHBondContact O-N 3.29Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 2.9Å; I79-G82 PolarHBondContact O-N 3.47Å; I79-L153 HydrophobicContact CD1-CD1 4.37Å; I79-L153 HydrophobicContact CD1-CD2 4.38Å; I79-L153 HydrophobicContact CD1-CG 3.84Å; I79-L153 HydrophobicContact CG1-CD2 4.33Å; I79-L153 HydrophobicContact CG1-CG 4.31Å; I79-V154 HydrophobicContact CD1-CG2 4.49Å; I79-R157 HydrophobicContact CB-CG 4.46Å; I79-R157 HydrophobicContact CD1-CB 3.46Å; I79-R157 VanDerWaalsContact CD1-CB 3.46Å; I79-R157 HydrophobicContact CD1-CG 3.71Å; I79-R157 HydrophobicContact CG2-CG 3.93Å; I79-R157 PolarHBondContact O-NE 2.87Å; I79-R157 VanDerWaalsContact O-NE 3.13Å; I79-S199 VanDerWaalsContact CG2-OG 3.24Å; I79-S199 WeakPolarHBondContact CG2-OG 3.47Å
80	L	98.6	Very high	98.3	Very high	104 Å²	104	50.1 Å²	50.1	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-74.2	-25.3	178.3	-72.1	175.6	0	0	0	113.6	K76 E77 I78 G82 S199	K76-L80 HydrophobicContact CD-CD1 4.49Å; K76-L80 HydrophobicContact CG-CD1 3.89Å; K76-L80 HydrophobicContact CG-CG 4.4Å; K76-L80 WeakPolarHBondContact O-CB 3.41Å; K76-L80 VanDerWaalsContact O-CG 3.27Å; K76-L80 WeakPolarHBondContact O-CG 3.34Å; K76-L80 PolarHBondContact O-N 2.86Å; E77-L80 PolarHBondContact O-N 2.97Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 3Å; L80-S199 WeakPolarHBondContact CD2-O 3.21Å
81	K	98.4	Very high	98.3	Very high	123 Å²	123	53.8 Å²	53.8	54%	0.535	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16	171	-74.6	-176.6	178.3	-168.7	0	113.4	E77 I78 W85	E77-K81 WeakPolarHBondContact O-CG 3.5Å; E77-K81 PolarHBondContact O-N 2.99Å; I78-K81 PolarHBondContact O-N 3.43Å; K81-W85 HydrophobicContact CB-CB 4.06Å; K81-W85 HydrophobicContact CB-CD2 3.77Å; K81-W85 HydrophobicContact CB-CE3 3.58Å; K81-W85 HydrophobicContact CB-CG 3.96Å; K81-W85 HydrophobicContact CB-CZ3 4.34Å; K81-W85 HydrophobicContact CD-CD2 3.41Å; K81-W85 VanDerWaalsContact CD-CD2 3.41Å; K81-W85 HydrophobicContact CD-CE3 3.5Å; K81-W85 HydrophobicContact CD-CG 4.08Å; K81-W85 HydrophobicContact CD-CH2 3.77Å; K81-W85 HydrophobicContact CD-CZ2 3.69Å; K81-W85 HydrophobicContact CD-CZ3 3.68Å; K81-W85 HydrophobicContact CG-CD2 4.24Å; K81-W85 HydrophobicContact CG-CE3 4.22Å
82	G	97.4	Very high	98.3	Very high	10 Å²	10	57.5 Å²	57.5	10%	0.103	27%	0.267	C	S	.	.			trans	86.9	169.7	170	0	0	0	0	0	115.1	I79 L80 E84 W85 I86	I79-G82 PolarHBondContact O-N 3.47Å; L80-G82 PolarHBondContact O-N 3Å; G82-E84 PolarHBondContact O-N 2.76Å; G82-W85 PolarHBondContact O-N 3.46Å; G82-I86 WeakPolarHBondContact O-CG1 3.45Å; G82-I86 PolarHBondContact O-N 3.22Å
83	P	97	Very high	98.3	Very high	32 Å²	32	56.6 Å²	56.6	21%	0.208	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-42.6	-170.6	-22.5	35.2	0	0	0	113.2	W85 I86 L87	P83-W85 VanDerWaalsContact C-N 3.33Å; P83-W85 PolarHBondContact O-N 3.38Å; P83-I86 PolarHBondContact O-N 3.05Å; P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 2.58Å
84	E	97.3	Very high	98.3	Very high	112 Å²	112	51.7 Å²	51.7	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-43.3	-178.9	-66.3	-52.1	133.2	0	0	112.1	G82 L87 N88 N113	G82-E84 PolarHBondContact O-N 2.76Å; E84-L87 PolarHBondContact O-N 3.32Å; E84-N88 VanDerWaalsContact O-CB 3.24Å; E84-N88 WeakPolarHBondContact O-CB 3.46Å; E84-N88 PolarHBondContact O-N 2.85Å; E84-N113 PolarHBondContact OE1-ND2 3.4Å
85	W	98.5	Very high	98.3	Very high	60 Å²	60	46.5 Å²	46.5	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-45.8	178.5	179.9	78.8	0	0	0	111.2	I78 K81 G82 P83 N88 E89 C265	I78-W85 HydrophobicContact CB-CZ3 4.5Å; I78-W85 HydrophobicContact CG1-CZ3 4.34Å; I78-W85 HydrophobicContact CG2-CZ3 4.17Å; K81-W85 HydrophobicContact CB-CB 4.06Å; K81-W85 HydrophobicContact CB-CD2 3.77Å; K81-W85 HydrophobicContact CB-CE3 3.58Å; K81-W85 HydrophobicContact CB-CG 3.96Å; K81-W85 HydrophobicContact CB-CZ3 4.34Å; K81-W85 HydrophobicContact CD-CD2 3.41Å; K81-W85 VanDerWaalsContact CD-CD2 3.41Å; K81-W85 HydrophobicContact CD-CE3 3.5Å; K81-W85 HydrophobicContact CD-CG 4.08Å; K81-W85 HydrophobicContact CD-CH2 3.77Å; K81-W85 HydrophobicContact CD-CZ2 3.69Å; K81-W85 HydrophobicContact CD-CZ3 3.68Å; K81-W85 HydrophobicContact CG-CD2 4.24Å; K81-W85 HydrophobicContact CG-CE3 4.22Å; G82-W85 PolarHBondContact O-N 3.46Å; P83-W85 VanDerWaalsContact C-N 3.33Å; P83-W85 PolarHBondContact O-N 3.38Å; W85-N88 PolarHBondContact O-N 3.09Å; W85-E89 HydrophobicContact CD2-CG 4.1Å; W85-E89 HydrophobicContact CE3-CG 4.49Å; W85-E89 HydrophobicContact CH2-CG 4Å; W85-E89 HydrophobicContact CZ2-CG 3.54Å; W85-E89 HydrophobicContact CZ3-CG 4.44Å; W85-E89 PolarHBondContact O-N 2.68Å; W85-C265 HydrophobicContact CH2-CB 4.14Å; W85-C265 WeakPolarHBondContact CH2-O 3.42Å; W85-C265 HydrophobicContact CZ3-CB 4.11Å
86	I	98.6	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-47.4	178.6	-59.3	167.2	0	0	0	110.5	I78 G82 P83 N88 E89 V90 V154 R157 A158	I78-I86 HydrophobicContact CG2-CD1 4.22Å; I78-I86 HydrophobicContact CG2-CG1 4.23Å; G82-I86 WeakPolarHBondContact O-CG1 3.45Å; G82-I86 PolarHBondContact O-N 3.22Å; P83-I86 PolarHBondContact O-N 3.05Å; I86-N88 VanDerWaalsContact C-N 3.3Å; I86-N88 PolarHBondContact O-N 3.46Å; I86-E89 PolarHBondContact O-N 2.75Å; I86-V90 WeakPolarHBondContact O-CG2 3.26Å; I86-V90 PolarHBondContact O-N 2.69Å; I86-V154 HydrophobicContact CG2-CG1 3.86Å; I86-R157 HydrophobicContact CD1-CB 4.16Å; I86-R157 HydrophobicContact CD1-CG 3.76Å; I86-A158 HydrophobicContact CB-CB 4.02Å; I86-A158 HydrophobicContact CG2-CB 3.6Å
87	L	98.1	Very high	98.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-41.1	177.5	-73.8	174.6	0	0	0	111.7	P83 E84 V90 K91 W109 N113 A158	P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 WeakPolarHBondContact O-CG 3.29Å; P83-L87 PolarHBondContact O-N 2.58Å; E84-L87 PolarHBondContact O-N 3.32Å; L87-V90 PolarHBondContact O-N 3.26Å; L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.46Å; L87-K91 PolarHBondContact O-N 2.85Å; L87-W109 HydrophobicContact CD2-CB 3.51Å; L87-W109 HydrophobicContact CD2-CE3 4.4Å; L87-N113 HydrophobicContact CD1-CB 4.42Å; L87-A158 WeakPolarHBondContact CD1-O 3.33Å; L87-A158 HydrophobicContact CD2-CB 4.04Å; L87-A158 HydrophobicContact CG-CB 4.18Å
88	N	98.2	Very high	98.1	Very high	83 Å²	83	40.2 Å²	40.2	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-66.1	-45.1	178.3	-171.3	49.5	0	0	0	111.9	E84 W85 I86 V90 K91 I92	E84-N88 VanDerWaalsContact O-CB 3.24Å; E84-N88 WeakPolarHBondContact O-CB 3.46Å; E84-N88 PolarHBondContact O-N 2.85Å; W85-N88 PolarHBondContact O-N 3.09Å; I86-N88 VanDerWaalsContact C-N 3.3Å; I86-N88 PolarHBondContact O-N 3.46Å; N88-V90 VanDerWaalsContact C-N 3.31Å; N88-V90 PolarHBondContact O-N 2.85Å; N88-K91 PolarHBondContact O-N 2.97Å; N88-K91 VanDerWaalsContact O-N 3.16Å; N88-I92 WeakPolarHBondContact ND2-CD1 3.45Å; N88-I92 WeakPolarHBondContact O-CB 3.2Å; N88-I92 VanDerWaalsContact O-CG1 3.28Å; N88-I92 WeakPolarHBondContact O-CG1 3.12Å; N88-I92 PolarHBondContact O-N 3.24Å
89	E	98.5	Very high	97.4	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-42.2	175	-74.3	-62.1	148.7	0	0	111.9	W85 I86 I92 S93 G269	W85-E89 HydrophobicContact CD2-CG 4.1Å; W85-E89 HydrophobicContact CE3-CG 4.49Å; W85-E89 HydrophobicContact CH2-CG 4Å; W85-E89 HydrophobicContact CZ2-CG 3.54Å; W85-E89 HydrophobicContact CZ3-CG 4.44Å; W85-E89 PolarHBondContact O-N 2.68Å; I86-E89 PolarHBondContact O-N 2.75Å; E89-I92 PolarHBondContact O-N 2.82Å; E89-S93 WeakPolarHBondContact O-CB 3.43Å; E89-S93 PolarHBondContact O-N 3.19Å; E89-G269 PolarHBondContact OE2-N 3.23Å
90	V	98.4	Very high	96.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-36.2	176.9	177.3	0	0	0	0	111.5	I86 L87 N88 S93 L95 T105 W109	I86-V90 WeakPolarHBondContact O-CG2 3.26Å; I86-V90 PolarHBondContact O-N 2.69Å; L87-V90 PolarHBondContact O-N 3.26Å; N88-V90 VanDerWaalsContact C-N 3.31Å; N88-V90 PolarHBondContact O-N 2.85Å; V90-S93 PolarHBondContact O-N 3.14Å; V90-S93 PolarHBondContact O-OG 2.95Å; V90-L95 HydrophobicContact CG1-CD2 4.43Å; V90-T105 HydrophobicContact CG1-CG2 4.19Å; V90-W109 HydrophobicContact CB-CZ3 4.48Å; V90-W109 HydrophobicContact CG1-CE3 4.27Å; V90-W109 HydrophobicContact CG1-CZ3 4.26Å; V90-W109 HydrophobicContact CG2-CE3 4.26Å; V90-W109 HydrophobicContact CG2-CZ3 3.77Å
91	K	98.3	Very high	96	Very high	104 Å²	104	42.6 Å²	42.6	45%	0.452	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-46.5	172.4	-74.7	173.3	-179.2	177.8	0	111.6	L87 N88 S93 G94 G106	L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.46Å; L87-K91 PolarHBondContact O-N 2.85Å; N88-K91 PolarHBondContact O-N 2.97Å; N88-K91 VanDerWaalsContact O-N 3.16Å; K91-S93 PolarHBondContact O-N 2.83Å; K91-G94 PolarHBondContact O-N 3.49Å; K91-G94 VanDerWaalsContact O-N 3.11Å; K91-G106 VanDerWaalsContact CE-O 3.29Å; K91-G106 WeakPolarHBondContact CE-O 3.34Å
92	I	98.4	Very high	95.8	Very high	79 Å²	79	36.9 Å²	36.9	41%	0.405	22%	0.224	S	C	.	.	H	α-helix	trans	-58.7	-37.6	176.7	-71.1	167.2	0	0	0	110.8	N88 E89 G94	N88-I92 WeakPolarHBondContact ND2-CD1 3.45Å; N88-I92 WeakPolarHBondContact O-CB 3.2Å; N88-I92 VanDerWaalsContact O-CG1 3.28Å; N88-I92 WeakPolarHBondContact O-CG1 3.12Å; N88-I92 PolarHBondContact O-N 3.24Å; E89-I92 PolarHBondContact O-N 2.82Å; I92-G94 PolarHBondContact O-N 3.03Å; I92-G94 VanDerWaalsContact O-N 3.14Å
93	S	98.3	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.2	179	80.3	0	0	0	0	114.6	E89 V90 K91 L95 G269 F272 S281	E89-S93 WeakPolarHBondContact O-CB 3.43Å; E89-S93 PolarHBondContact O-N 3.19Å; V90-S93 PolarHBondContact O-N 3.14Å; V90-S93 PolarHBondContact O-OG 2.95Å; K91-S93 PolarHBondContact O-N 2.83Å; S93-L95 PolarHBondContact O-N 2.73Å; S93-L95 VanDerWaalsContact OG-CB 3.3Å; S93-L95 WeakPolarHBondContact OG-CB 3.14Å; S93-L95 PolarHBondContact OG-N 3.21Å; S93-G269 WeakPolarHBondContact CA-O 3.42Å; S93-F272 WeakPolarHBondContact O-CD1 3.22Å; S93-S281 VanDerWaalsContact O-CB 3.31Å; S93-S281 WeakPolarHBondContact O-CB 3.35Å
94	G	97.9	Very high	95.8	Very high	30 Å²	30	41.8 Å²	41.8	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	15.4	-174.1	0	0	0	0	0	113.7	K91 I92 R96	K91-G94 PolarHBondContact O-N 3.49Å; K91-G94 VanDerWaalsContact O-N 3.11Å; I92-G94 PolarHBondContact O-N 3.03Å; I92-G94 VanDerWaalsContact O-N 3.14Å; G94-R96 PolarHBondContact O-N 2.79Å
95	L	98.5	Very high	95.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.3	121	-178.3	177.4	67.1	0	0	0	111.5	V90 S93 R98 T105 T257 V260 I264 F272	V90-L95 HydrophobicContact CG1-CD2 4.43Å; S93-L95 PolarHBondContact O-N 2.73Å; S93-L95 VanDerWaalsContact OG-CB 3.3Å; S93-L95 WeakPolarHBondContact OG-CB 3.14Å; S93-L95 PolarHBondContact OG-N 3.21Å; L95-R98 HydrophobicContact CD1-CG 4.46Å; L95-T105 HydrophobicContact CD2-CG2 4.03Å; L95-T105 VanDerWaalsContact O-CB 3.28Å; L95-T105 WeakPolarHBondContact O-CB 3.44Å; L95-T105 PolarHBondContact O-N 3.01Å; L95-T105 PolarHBondContact O-OG1 2.81Å; L95-T105 VanDerWaalsContact O-OG1 3.07Å; L95-T257 HydrophobicContact CD2-CG2 4.12Å; L95-V260 HydrophobicContact CD1-CG2 4.01Å; L95-V260 HydrophobicContact CD2-CG2 3.82Å; L95-I264 HydrophobicContact CB-CD1 4.25Å; L95-I264 HydrophobicContact CD2-CD1 3.82Å; L95-I264 HydrophobicContact CG-CD1 4.42Å; L95-F272 HydrophobicContact CB-CE1 4.03Å; L95-F272 HydrophobicContact CD1-CE1 3.63Å; L95-F272 HydrophobicContact CD1-CZ 3.72Å; L95-F272 HydrophobicContact CG-CE1 4.42Å
96	R	98.4	Very high	95.7	Very high	41 Å²	41	33.9 Å²	33.9	16%	0.155	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-100.3	149.4	170.8	-71	175.4	68.3	176.4	1.1	111.2	G94 R98 G102 R279 N280 F349 D350	G94-R96 PolarHBondContact O-N 2.79Å; R96-R98 PolarHBondContact O-N 2.64Å; R96-R98 PolarHBondContact O-NH1 3.25Å; R96-G102 WeakPolarHBondContact CB-O 3.48Å; R96-G102 PolarHBondContact NE-O 3.43Å; R96-G102 PolarHBondContact NH2-O 2.92Å; R96-R279 WeakPolarHBondContact CD-O 3.5Å; R96-R279 PolarHBondContact NH1-O 3.48Å; R96-R279 VanDerWaalsContact NH1-O 3.09Å; R96-N280 PolarHBondContact NH1-OD1 2.97Å; R96-F349 HydrophobicContact CB-CD2 4.35Å; R96-F349 HydrophobicContact CB-CE2 3.75Å; R96-F349 HydrophobicContact CB-CZ 4.22Å; R96-D350 IonicContact CZ-OD1 2.87Å; R96-D350 IonicContact NH1-OD1 3.81Å; R96-D350 PolarHBondContact NH1-OD1 2.9Å; R96-D350 IonicContact NH1-OD2 2.98Å; R96-D350 IonicContact NH2-OD1 3.93Å
97	G	96.6	Very high	95.7	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-55.2	129.4	-177.5	0	0	0	0	0	112.3	G102 F103 T105	G97-G102 WeakPolarHBondContact O-CA 3.48Å; G97-F103 PolarHBondContact N-O 3.3Å; G97-T105 PolarHBondContact N-OG1 3.04Å
98	R	96.9	Very high	95.6	Very high	1 Å²	1	41 Å²	41	0%	0.004	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.2	-172.3	-60.6	-58.4	-166.2	-124.6	14.5	114	L95 R96 K136 N254 E256 T257 S281 T283	L95-R98 HydrophobicContact CD1-CG 4.46Å; R96-R98 PolarHBondContact O-N 2.64Å; R96-R98 PolarHBondContact O-NH1 3.25Å; R98-K136 WeakPolarHBondContact O-CE 3.32Å; R98-N254 PolarHBondContact O-ND2 3.08Å; R98-E256 HydrophobicContact CB-CB 3.84Å; R98-E256 HydrophobicContact CB-CG 3.99Å; R98-E256 WeakPolarHBondContact CB-OE2 3.29Å; R98-E256 HydrophobicContact CG-CB 4.31Å; R98-E256 HydrophobicContact CG-CG 3.99Å; R98-T257 VanDerWaalsContact CB-OG1 3.28Å; R98-T257 WeakPolarHBondContact CB-OG1 3.38Å; R98-T257 WeakPolarHBondContact CG-OG1 3.41Å; R98-T257 PolarHBondContact N-OG1 3.03Å; R98-S281 PolarHBondContact NH2-O 2.8Å; R98-T283 PolarHBondContact NE-O 3.29Å; R98-T283 PolarHBondContact NH2-O 2.7Å
99	G	85.1	Confident	95.6	Very high	44 Å²	44	37 Å²	37	45%	0.454	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.3	179.9	0	0	0	0	0	115.3
100	G	83.5	Confident	95.6	Very high	23 Å²	23	37 Å²	37	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	139.1	-57	-179.7	0	0	0	0	0	114.1	G102 G360	G100-G102 VanDerWaalsContact C-N 3.26Å; G100-G102 PolarHBondContact O-N 2.85Å; G100-G360 WeakPolarHBondContact CA-O 3.25Å
101	A	84.1	Confident	95.4	Very high	98 Å²	98	41.1 Å²	41.1	81%	0.81	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.6	-172.7	0	0	0	0	0	114.9	F103	A101-F103 PolarHBondContact O-N 3.4Å; A101-F103 VanDerWaalsContact O-N 3.16Å
102	G	93.3	Very high	95.3	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	23%	0.225	C	C	.	.			trans	62.3	24.2	178	0	0	0	0	0	114.8	R96 G97 G100 F349	R96-G102 WeakPolarHBondContact CB-O 3.48Å; R96-G102 PolarHBondContact NE-O 3.43Å; R96-G102 PolarHBondContact NH2-O 2.92Å; G97-G102 WeakPolarHBondContact O-CA 3.48Å; G100-G102 VanDerWaalsContact C-N 3.26Å; G100-G102 PolarHBondContact O-N 2.85Å; G102-F349 VanDerWaalsContact CA-CE1 3.44Å
103	F	96.6	Very high	94.9	Very high	86 Å²	86	36.1 Å²	36.1	38%	0.377	23%	0.225	S	C	.	.			trans	-67.5	138.8	179.5	-168.9	-86.9	0	0	0	111.2	G97 A101 T105 M107 K108 F111	G97-F103 PolarHBondContact N-O 3.3Å; A101-F103 PolarHBondContact O-N 3.4Å; A101-F103 VanDerWaalsContact O-N 3.16Å; F103-T105 PolarHBondContact O-N 3.19Å; F103-T105 VanDerWaalsContact O-N 3.12Å; F103-M107 HydrophobicContact CE1-CB 4.18Å; F103-M107 HydrophobicContact CE1-CG 4.22Å; F103-M107 HydrophobicContact CE1-SD 4.48Å; F103-M107 HydrophobicContact CZ-CG 4.35Å; F103-M107 HydrophobicContact CZ-SD 4.15Å; F103-K108 HydrophobicContact CD1-CB 3.75Å; F103-K108 HydrophobicContact CD1-CG 4.32Å; F103-K108 HydrophobicContact CE1-CB 3.84Å; F103-K108 HydrophobicContact CE1-CG 4.48Å; F103-F111 AromaticContact CE1-CE2 3.88Å; F103-F111 HydrophobicContact CE1-CE2 3.88Å; F103-F111 HydrophobicContact CE1-CZ 4.25Å; F103-F111 AromaticContact CZ-CE2 3.78Å; F103-F111 HydrophobicContact CZ-CE2 3.78Å; F103-F111 AromaticContact CZ-CZ 3.9Å; F103-F111 HydrophobicContact CZ-CZ 3.9Å
104	P	97.9	Very high	94.3	Very high	60 Å²	60	41 Å²	41	39%	0.39	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-58.4	115.6	179.4	-24.8	34.7	0	0	0	112.7	G106 M107 K108	P104-G106 PolarHBondContact O-N 3.44Å; P104-M107 HydrophobicContact CB-CB 4.1Å; P104-M107 WeakPolarHBondContact O-CB 3.47Å; P104-M107 PolarHBondContact O-N 2.88Å; P104-K108 PolarHBondContact O-N 3.3Å
105	T	98.2	Very high	93.8	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-45.9	-168.2	-55.6	0	0	0	0	111.9	V90 L95 G97 F103 M107 K108 W109 T257	V90-T105 HydrophobicContact CG1-CG2 4.19Å; L95-T105 HydrophobicContact CD2-CG2 4.03Å; L95-T105 VanDerWaalsContact O-CB 3.28Å; L95-T105 WeakPolarHBondContact O-CB 3.44Å; L95-T105 PolarHBondContact O-N 3.01Å; L95-T105 PolarHBondContact O-OG1 2.81Å; L95-T105 VanDerWaalsContact O-OG1 3.07Å; G97-T105 PolarHBondContact N-OG1 3.04Å; F103-T105 PolarHBondContact O-N 3.19Å; F103-T105 VanDerWaalsContact O-N 3.12Å; T105-M107 PolarHBondContact O-N 3.44Å; T105-K108 WeakPolarHBondContact O-CB 3.19Å; T105-K108 PolarHBondContact O-N 3.23Å; T105-K108 VanDerWaalsContact O-N 3.08Å; T105-W109 HydrophobicContact CG2-CD2 3.92Å; T105-W109 HydrophobicContact CG2-CG 4.29Å; T105-W109 HydrophobicContact CG2-CH2 4.38Å; T105-W109 HydrophobicContact CG2-CZ2 3.62Å; T105-W109 PolarHBondContact O-N 3.35Å; T105-T257 HydrophobicContact CG2-CG2 3.42Å; T105-T257 VanDerWaalsContact CG2-CG2 3.42Å
106	G	96.8	Very high	93.3	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-30.4	178.4	0	0	0	0	0	113.1	K91 P104 S110	K91-G106 VanDerWaalsContact CE-O 3.29Å; K91-G106 WeakPolarHBondContact CE-O 3.34Å; P104-G106 PolarHBondContact O-N 3.44Å; G106-S110 WeakPolarHBondContact O-CB 3.29Å; G106-S110 PolarHBondContact O-N 3.5Å
107	M	97.3	Very high	93.1	Very high	100 Å²	100	52.1 Å²	52.1	49%	0.493	32%	0.315	S	S	.	.	H	α-helix	trans	-71.7	-46.6	171.6	-174.2	175.9	-75.7	0	0	110.8	F103 P104 T105 W109 S110 F111	F103-M107 HydrophobicContact CE1-CB 4.18Å; F103-M107 HydrophobicContact CE1-CG 4.22Å; F103-M107 HydrophobicContact CE1-SD 4.48Å; F103-M107 HydrophobicContact CZ-CG 4.35Å; F103-M107 HydrophobicContact CZ-SD 4.15Å; P104-M107 HydrophobicContact CB-CB 4.1Å; P104-M107 WeakPolarHBondContact O-CB 3.47Å; P104-M107 PolarHBondContact O-N 2.88Å; T105-M107 PolarHBondContact O-N 3.44Å; M107-W109 VanDerWaalsContact C-N 3.31Å; M107-W109 PolarHBondContact O-N 3.32Å; M107-S110 PolarHBondContact O-N 3.24Å; M107-S110 VanDerWaalsContact O-N 3.09Å; M107-S110 PolarHBondContact O-OG 3.25Å; M107-F111 HydrophobicContact CG-CE1 4.05Å; M107-F111 HydrophobicContact CG-CZ 3.83Å; M107-F111 PolarHBondContact O-N 3.39Å; M107-F111 HydrophobicContact SD-CZ 4.47Å
108	K	97.6	Very high	93	Very high	50 Å²	50	54.6 Å²	54.6	22%	0.217	34%	0.341	C	S	.	.	H	α-helix	trans	-55.3	-47.7	178	-164.9	174.1	-172	176.7	0	111.2	F103 P104 T105 S110 F111 E219 T251 V252	F103-K108 HydrophobicContact CD1-CB 3.75Å; F103-K108 HydrophobicContact CD1-CG 4.32Å; F103-K108 HydrophobicContact CE1-CB 3.84Å; F103-K108 HydrophobicContact CE1-CG 4.48Å; P104-K108 PolarHBondContact O-N 3.3Å; T105-K108 WeakPolarHBondContact O-CB 3.19Å; T105-K108 PolarHBondContact O-N 3.23Å; T105-K108 VanDerWaalsContact O-N 3.08Å; K108-S110 VanDerWaalsContact C-N 3.31Å; K108-S110 PolarHBondContact O-N 3.42Å; K108-F111 WeakPolarHBondContact O-CB 3.45Å; K108-F111 WeakPolarHBondContact O-CD2 3.37Å; K108-F111 PolarHBondContact O-N 3.17Å; K108-E219 IonicContact NZ-OE2 3.74Å; K108-E219 PolarHBondContact NZ-OE2 3.33Å; K108-T251 HydrophobicContact CD-CG2 4.27Å; K108-T251 HydrophobicContact CG-CG2 4.22Å; K108-V252 WeakPolarHBondContact CE-O 3.48Å; K108-V252 PolarHBondContact NZ-O 2.97Å
109	W	97.9	Very high	93	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-33.3	-179.5	-65.8	2.7	0	0	0	112.2	L87 V90 T105 M107 F111 M112 A155 A158 M159 T257 A261	L87-W109 HydrophobicContact CD2-CB 3.51Å; L87-W109 HydrophobicContact CD2-CE3 4.4Å; V90-W109 HydrophobicContact CB-CZ3 4.48Å; V90-W109 HydrophobicContact CG1-CE3 4.27Å; V90-W109 HydrophobicContact CG1-CZ3 4.26Å; V90-W109 HydrophobicContact CG2-CE3 4.26Å; V90-W109 HydrophobicContact CG2-CZ3 3.77Å; T105-W109 HydrophobicContact CG2-CD2 3.92Å; T105-W109 HydrophobicContact CG2-CG 4.29Å; T105-W109 HydrophobicContact CG2-CH2 4.38Å; T105-W109 HydrophobicContact CG2-CZ2 3.62Å; T105-W109 PolarHBondContact O-N 3.35Å; M107-W109 VanDerWaalsContact C-N 3.31Å; M107-W109 PolarHBondContact O-N 3.32Å; W109-F111 PolarHBondContact O-N 2.84Å; W109-M112 WeakPolarHBondContact O-CB 3.25Å; W109-M112 PolarHBondContact O-N 3Å; W109-M112 VanDerWaalsContact O-N 3.11Å; W109-A155 HydrophobicContact CH2-CB 3.46Å; W109-A155 VanDerWaalsContact CH2-CB 3.46Å; W109-A155 HydrophobicContact CZ2-CB 3.71Å; W109-A155 HydrophobicContact CZ3-CB 3.94Å; W109-A158 HydrophobicContact CE3-CB 4.08Å; W109-A158 HydrophobicContact CZ3-CB 4.39Å; W109-M159 HydrophobicContact CB-CG 3.83Å; W109-M159 HydrophobicContact CB-SD 3.86Å; W109-M159 HydrophobicContact CD2-SD 4.37Å; W109-M159 HydrophobicContact CG-CG 4.15Å; W109-M159 HydrophobicContact CG-SD 3.72Å; W109-T257 HydrophobicContact CZ2-CG2 4.4Å; W109-A261 HydrophobicContact CH2-CB 3.63Å; W109-A261 HydrophobicContact CZ3-CB 4.26Å
110	S	96.9	Very high	93.6	Very high	31 Å²	31	58.3 Å²	58.3	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-19.3	177.7	71.4	0	0	0	0	114	G106 M107 K108 M112 N113	G106-S110 WeakPolarHBondContact O-CB 3.29Å; G106-S110 PolarHBondContact O-N 3.5Å; M107-S110 PolarHBondContact O-N 3.24Å; M107-S110 VanDerWaalsContact O-N 3.09Å; M107-S110 PolarHBondContact O-OG 3.25Å; K108-S110 VanDerWaalsContact C-N 3.31Å; K108-S110 PolarHBondContact O-N 3.42Å; S110-M112 PolarHBondContact O-N 3.42Å; S110-N113 WeakPolarHBondContact O-CB 3.32Å; S110-N113 PolarHBondContact O-N 2.86Å
111	F	96.1	Very high	94.3	Very high	89 Å²	89	58.5 Å²	58.5	39%	0.39	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	173.4	-58.4	-34	0	0	0	113	F103 M107 K108 W109 N113 K114 A241	F103-F111 AromaticContact CE1-CE2 3.88Å; F103-F111 HydrophobicContact CE1-CE2 3.88Å; F103-F111 HydrophobicContact CE1-CZ 4.25Å; F103-F111 AromaticContact CZ-CE2 3.78Å; F103-F111 HydrophobicContact CZ-CE2 3.78Å; F103-F111 AromaticContact CZ-CZ 3.9Å; F103-F111 HydrophobicContact CZ-CZ 3.9Å; M107-F111 HydrophobicContact CG-CE1 4.05Å; M107-F111 HydrophobicContact CG-CZ 3.83Å; M107-F111 PolarHBondContact O-N 3.39Å; M107-F111 HydrophobicContact SD-CZ 4.47Å; K108-F111 WeakPolarHBondContact O-CB 3.45Å; K108-F111 WeakPolarHBondContact O-CD2 3.37Å; K108-F111 PolarHBondContact O-N 3.17Å; W109-F111 PolarHBondContact O-N 2.84Å; F111-N113 VanDerWaalsContact C-N 3.31Å; F111-K114 VanDerWaalsContact O-CE 3.26Å; F111-K114 WeakPolarHBondContact O-CE 3.24Å; F111-A241 HydrophobicContact CB-CB 3.77Å
112	M	95.2	Very high	94.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.4	175.6	-63.5	-66.3	-73.1	0	0	113.1	W109 S110 K114 K121 M159 A241 P249 T251	W109-M112 WeakPolarHBondContact O-CB 3.25Å; W109-M112 PolarHBondContact O-N 3Å; W109-M112 VanDerWaalsContact O-N 3.11Å; S110-M112 PolarHBondContact O-N 3.42Å; M112-K114 PolarHBondContact O-N 3.44Å; M112-K121 HydrophobicContact CE-CB 3.8Å; M112-K121 HydrophobicContact CE-CD 4.27Å; M112-K121 HydrophobicContact CE-CG 4.29Å; M112-K121 PolarHBondContact O-NZ 3.38Å; M112-M159 HydrophobicContact CB-CB 3.77Å; M112-M159 HydrophobicContact CB-CG 4.07Å; M112-M159 HydrophobicContact CB-SD 4.46Å; M112-M159 HydrophobicContact CG-CB 4.09Å; M112-M159 HydrophobicContact CG-CG 4.16Å; M112-M159 HydrophobicContact CG-SD 3.9Å; M112-A241 HydrophobicContact SD-CB 4.13Å; M112-P249 HydrophobicContact CE-CB 3.84Å; M112-P249 WeakPolarHBondContact CE-O 3.18Å; M112-P249 HydrophobicContact SD-CB 4.14Å; M112-T251 WeakPolarHBondContact CG-OG1 3.28Å
113	N	89.6	Confident	95.2	Very high	77 Å²	77	54.4 Å²	54.4	41%	0.412	30%	0.304	S	S	.	.			trans	-81.3	57.2	-176.8	-163.2	24	0	0	0	112.2	E84 L87 S110 F111	E84-N113 PolarHBondContact OE1-ND2 3.4Å; L87-N113 HydrophobicContact CD1-CB 4.42Å; S110-N113 WeakPolarHBondContact O-CB 3.32Å; S110-N113 PolarHBondContact O-N 2.86Å; F111-N113 VanDerWaalsContact C-N 3.31Å
114	K	85.4	Confident	95.3	Very high	101 Å²	101	50.3 Å²	50.3	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-107.7	151.4	174.2	-57.9	-178.1	-176.6	-174	0	109.3	F111 M112 K121 D242	F111-K114 VanDerWaalsContact O-CE 3.26Å; F111-K114 WeakPolarHBondContact O-CE 3.24Å; M112-K114 PolarHBondContact O-N 3.44Å; K114-K121 PolarHBondContact O-NZ 3.39Å; K114-D242 IonicContact NZ-OD1 3.87Å; K114-D242 PolarHBondContact NZ-OD1 3.42Å
115	P	88.3	Confident	95.4	Very high	124 Å²	124	47.4 Å²	47.4	81%	0.805	27%	0.268	S	S	*	.			trans	-50.7	145.1	169.5	-24.8	34.3	0	0	0	110.8	D117	P115-D117 PolarHBondContact O-N 2.91Å
116	S	88.5	Confident	95.4	Very high	89 Å²	89	48.5 Å²	48.5	62%	0.622	27%	0.273	S	S	*	.			trans	-66.6	134.1	175.1	-179.1	0	0	0	0	109.3	G118	S116-G118 PolarHBondContact OG-N 3.48Å
117	D	92.7	Very high	95.5	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	27%	0.272	S	S	.	.			trans	-101.8	19.6	173	60.9	-0.5	0	0	0	111.6	P115 R119	P115-D117 PolarHBondContact O-N 2.91Å; D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 VanDerWaalsContact OD1-CB 3.31Å; D117-R119 WeakPolarHBondContact OD1-CB 3.15Å; D117-R119 PolarHBondContact OD1-N 3.17Å; D117-R119 IonicContact OD1-NE 2.77Å; D117-R119 PolarHBondContact OD1-NE 3.19Å; D117-R119 IonicContact OD2-CZ 2.84Å; D117-R119 IonicContact OD2-NE 3.14Å; D117-R119 PolarHBondContact OD2-NE 2.95Å; D117-R119 IonicContact OD2-NH2 3.82Å; D117-R119 PolarHBondContact OD2-NH2 2.79Å
118	G	94.9	Very high	95.5	Very high	70 Å²	70	43.7 Å²	43.7	72%	0.722	25%	0.249	S	C	*	.	S	Bend	trans	88.1	-19.3	-174.5	0	0	0	0	0	114.2	S116	S116-G118 PolarHBondContact OG-N 3.48Å
119	R	96.7	Very high	95.4	Very high	78 Å²	78	41.9 Å²	41.9	29%	0.294	24%	0.241	S	C	.	.	S	Bend	trans	-74.8	139.1	173.4	-61.2	179.9	-68.9	160.5	0.1	109.9	D117 D242 G247	D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 VanDerWaalsContact OD1-CB 3.31Å; D117-R119 WeakPolarHBondContact OD1-CB 3.15Å; D117-R119 PolarHBondContact OD1-N 3.17Å; D117-R119 IonicContact OD1-NE 2.77Å; D117-R119 PolarHBondContact OD1-NE 3.19Å; D117-R119 IonicContact OD2-CZ 2.84Å; D117-R119 IonicContact OD2-NE 3.14Å; D117-R119 PolarHBondContact OD2-NE 2.95Å; D117-R119 IonicContact OD2-NH2 3.82Å; D117-R119 PolarHBondContact OD2-NH2 2.79Å; R119-D242 PolarHBondContact NH1-O 3.34Å; R119-D242 PolarHBondContact NH2-O 2.77Å; R119-G247 PolarHBondContact NH1-O 3.3Å
120	P	97.3	Very high	95.4	Very high	44 Å²	44	42.1 Å²	42.1	29%	0.286	24%	0.244	S	C	.	.			trans	-64.3	155.5	167.2	29.5	-34.1	0	0	0	109.6	Y122 R162 C248	P120-Y122 HydrophobicContact CB-CE1 4.45Å; P120-Y122 HydrophobicContact CB-CE2 4.22Å; P120-Y122 HydrophobicContact CG-CE2 3.77Å; P120-Y122 VanDerWaalsContact CG-OH 3.25Å; P120-Y122 WeakPolarHBondContact CG-OH 3.39Å; P120-R162 HydrophobicContact CB-CB 4.1Å; P120-C248 VanDerWaalsContact O-CB 3.25Å; P120-C248 WeakPolarHBondContact O-CB 3.41Å
121	K	98.3	Very high	95.4	Very high	27 Å²	27	41.4 Å²	41.4	12%	0.117	24%	0.238	C	C	.	.			trans	-105.5	148.9	172.9	-57.6	-177.3	-175	174.6	0	109.5	M112 K114 M159 A161 R162 P249	M112-K121 HydrophobicContact CE-CB 3.8Å; M112-K121 HydrophobicContact CE-CD 4.27Å; M112-K121 HydrophobicContact CE-CG 4.29Å; M112-K121 PolarHBondContact O-NZ 3.38Å; K114-K121 PolarHBondContact O-NZ 3.39Å; K121-M159 WeakPolarHBondContact CD-O 3.07Å; K121-A161 CarbonylContact O-C 3.21Å; K121-A161 VanDerWaalsContact O-CA 3.29Å; K121-A161 WeakPolarHBondContact O-CA 3.46Å; K121-R162 PolarHBondContact O-N 3.12Å; K121-P249 WeakPolarHBondContact CA-O 3.48Å; K121-P249 HydrophobicContact CG-CB 4.13Å; K121-P249 HydrophobicContact CG-CG 4.46Å
122	Y	98.6	Very high	95.5	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.5	-179.6	-63	-66.7	0	0	0	112.7	P120 R162 A163 Y165 V245 F246 C248 P249 T250 T251	P120-Y122 HydrophobicContact CB-CE1 4.45Å; P120-Y122 HydrophobicContact CB-CE2 4.22Å; P120-Y122 HydrophobicContact CG-CE2 3.77Å; P120-Y122 VanDerWaalsContact CG-OH 3.25Å; P120-Y122 WeakPolarHBondContact CG-OH 3.39Å; Y122-R162 HydrophobicContact CE1-CB 4.39Å; Y122-A163 HydrophobicContact CD1-CB 4.13Å; Y122-A163 HydrophobicContact CE1-CB 4.2Å; Y122-Y165 HydrophobicContact CD1-CD2 4.2Å; Y122-Y165 AromaticContact CD1-CE2 3.6Å; Y122-Y165 HydrophobicContact CD1-CE2 3.6Å; Y122-Y165 AromaticContact CE1-CE2 3.84Å; Y122-Y165 HydrophobicContact CE1-CE2 3.84Å; Y122-Y165 HydrophobicContact CG-CD2 4.47Å; Y122-Y165 HydrophobicContact CG-CE2 4.09Å; Y122-V245 HydrophobicContact CD2-CG1 3.51Å; Y122-V245 HydrophobicContact CE2-CG1 4.36Å; Y122-V245 HydrophobicContact CG-CG1 3.86Å; Y122-F246 HydrophobicContact CE2-CD2 4.28Å; Y122-C248 HydrophobicContact CD2-CB 3.73Å; Y122-C248 HydrophobicContact CE2-CB 3.76Å; Y122-P249 PolarHBondContact N-O 3.42Å; Y122-T250 WeakPolarHBondContact O-CA 3.5Å; Y122-T251 PolarHBondContact O-N 2.95Å
123	L	98.8	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.8	159.5	166	62.1	0	0	0	106.9	V125 C152 A155 M159 A161 A163 A164 Y165 A253 V258	L123-V125 HydrophobicContact CD1-CG2 4.31Å; L123-V125 HydrophobicContact CD2-CG2 4.12Å; L123-V125 HydrophobicContact CG-CG2 4.05Å; L123-C152 HydrophobicContact CD2-CB 4.21Å; L123-A155 HydrophobicContact CD2-CB 4.02Å; L123-M159 HydrophobicContact CB-CE 4.11Å; L123-M159 HydrophobicContact CD1-CE 3.72Å; L123-M159 HydrophobicContact CG-CE 4.33Å; L123-A161 HydrophobicContact CB-CB 4.18Å; L123-A163 PolarHBondContact N-O 3.47Å; L123-A164 HydrophobicContact CB-CB 4.32Å; L123-A164 HydrophobicContact CD2-CB 4.11Å; L123-A164 HydrophobicContact CG-CB 4.26Å; L123-A164 CarbonylContact O-C 3.57Å; L123-A164 VanDerWaalsContact O-CA 3.26Å; L123-A164 WeakPolarHBondContact O-CA 3.41Å; L123-Y165 PolarHBondContact O-N 3.3Å; L123-A253 HydrophobicContact CD1-CB 4.49Å; L123-V258 HydrophobicContact CD1-CG2 4.49Å
124	V	98.8	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.6	167.8	176	0	0	0	0	107.7	Y165 L222 L226 V245 T250 T251 V252 A253	V124-Y165 CarbonylContact C-O 3.44Å; V124-Y165 WeakPolarHBondContact CA-O 3.34Å; V124-L222 HydrophobicContact CG1-CD2 3.2Å; V124-L226 HydrophobicContact CG1-CD1 4.15Å; V124-L226 HydrophobicContact CG2-CD1 4.13Å; V124-V245 HydrophobicContact CG2-CB 4.45Å; V124-V245 HydrophobicContact CG2-CG1 4.22Å; V124-T250 HydrophobicContact CB-CG2 4.04Å; V124-T250 HydrophobicContact CG2-CG2 3.44Å; V124-T250 VanDerWaalsContact CG2-CG2 3.44Å; V124-T251 PolarHBondContact N-O 2.81Å; V124-V252 HydrophobicContact CB-CG2 4.12Å; V124-V252 HydrophobicContact CG1-CG2 4.33Å; V124-V252 CarbonylContact O-C 3.44Å; V124-V252 VanDerWaalsContact O-CA 3.24Å; V124-V252 WeakPolarHBondContact O-CA 3.29Å; V124-A253 PolarHBondContact O-N 3.13Å
125	V	98.8	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.2	176.3	-177	0	0	0	0	108	L123 A127 L148 Y165 I166 Y167 A253 V255 V258	L123-V125 HydrophobicContact CD1-CG2 4.31Å; L123-V125 HydrophobicContact CD2-CG2 4.12Å; L123-V125 HydrophobicContact CG-CG2 4.05Å; V125-A127 PolarHBondContact O-N 3.34Å; V125-L148 HydrophobicContact CG1-CD1 4.07Å; V125-Y165 PolarHBondContact N-O 3.18Å; V125-I166 HydrophobicContact CB-CB 4.38Å; V125-I166 HydrophobicContact CB-CG1 4.07Å; V125-I166 HydrophobicContact CB-CG2 4.3Å; V125-I166 HydrophobicContact CG1-CG2 4.42Å; V125-I166 HydrophobicContact CG2-CG1 4.14Å; V125-Y167 PolarHBondContact O-N 2.79Å; V125-A253 CarbonylContact C-O 3.52Å; V125-A253 WeakPolarHBondContact CA-O 3.37Å; V125-V255 HydrophobicContact CG1-CB 4.47Å; V125-V255 HydrophobicContact CG1-CG2 3.74Å; V125-V258 HydrophobicContact CG2-CG1 4.35Å; V125-V258 HydrophobicContact CG2-CG2 4.27Å
126	N	98.6	Very high	97.2	Very high	26 Å²	26	28.6 Å²	28.6	14%	0.139	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	106	173.8	-176	-6.1	0	0	0	109.3	D128 G217 L222 V252 A253 N254 V255	N126-D128 PolarHBondContact OD1-N 2.93Å; N126-G217 PolarHBondContact ND2-O 3.14Å; N126-L222 HydrophobicContact CB-CD1 3.7Å; N126-L222 VanDerWaalsContact CG-CD1 3.49Å; N126-V252 HydrophobicContact CB-CG1 3.87Å; N126-A253 PolarHBondContact N-O 3.3Å; N126-N254 PolarHBondContact O-OD1 3.45Å; N126-N254 VanDerWaalsContact O-OD1 3.13Å; N126-V255 WeakPolarHBondContact O-CG2 3.28Å; N126-V255 PolarHBondContact O-N 3.18Å
127	A	98.4	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	27.4	177.6	0	0	0	0	0	111.1	V125 L141 I166 Y167 I168 R169 V255	V125-A127 PolarHBondContact O-N 3.34Å; A127-L141 HydrophobicContact CB-CD1 4.19Å; A127-L141 HydrophobicContact CB-CD2 4.24Å; A127-I166 HydrophobicContact CB-CG2 3.94Å; A127-Y167 CarbonylContact C-O 3.52Å; A127-Y167 WeakPolarHBondContact CA-O 3.28Å; A127-Y167 VanDerWaalsContact CB-O 3.26Å; A127-Y167 WeakPolarHBondContact CB-O 3.41Å; A127-Y167 PolarHBondContact N-O 3.46Å; A127-I168 HydrophobicContact CB-CB 4.31Å; A127-I168 HydrophobicContact CB-CG1 4.25Å; A127-I168 WeakPolarHBondContact O-CA 3.35Å; A127-R169 PolarHBondContact O-N 3.19Å; A127-V255 HydrophobicContact CB-CG2 3.38Å
128	D	98	Very high	97.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.143	C	C	.	.			trans	-76.9	-41.3	179.8	-173.1	72.1	0	0	0	112.3	N126 G130 Y167 R169 G217	N126-D128 PolarHBondContact OD1-N 2.93Å; D128-G130 VanDerWaalsContact C-N 3.26Å; D128-G130 PolarHBondContact O-N 3.26Å; D128-G130 VanDerWaalsContact O-N 3.1Å; D128-Y167 HydrophobicContact CB-CD1 4.21Å; D128-Y167 HydrophobicContact CB-CE1 4.2Å; D128-Y167 PolarHBondContact N-O 3.1Å; D128-R169 WeakPolarHBondContact O-CB 3.18Å; D128-R169 WeakPolarHBondContact O-CD 3.25Å; D128-R169 WeakPolarHBondContact O-CG 3.45Å; D128-G217 PolarHBondContact OD2-N 2.81Å
129	E	96.4	Very high	98.1	Very high	12 Å²	12	21 Å²	21	6%	0.056	11%	0.113	C	C	.	.			trans	42.4	49.5	176	-161.1	174.1	-130.7	0	0	114	E131 T134 C135 K136 D137 R138 R169 F172	E129-E131 VanDerWaalsContact C-N 3.3Å; E129-T134 HydrophobicContact CG-CG2 3.87Å; E129-T134 VanDerWaalsContact OE1-CG2 3.28Å; E129-T134 WeakPolarHBondContact OE1-CG2 3.33Å; E129-C135 VanDerWaalsContact OE1-C 3.27Å; E129-C135 WeakPolarHBondContact OE1-CA 3.43Å; E129-C135 PolarHBondContact OE1-N 2.83Å; E129-C135 WeakPolarHBondContact OE2-CA 3.5Å; E129-K136 VanDerWaalsContact OE1-CG 3.29Å; E129-K136 WeakPolarHBondContact OE1-CG 3.47Å; E129-K136 PolarHBondContact OE1-N 3Å; E129-D137 HydrophobicContact CB-CB 4.27Å; E129-D137 HydrophobicContact CG-CB 4.37Å; E129-D137 PolarHBondContact OE1-N 3.25Å; E129-D137 PolarHBondContact OE2-N 3.46Å; E129-R138 WeakPolarHBondContact OE2-CB 3.42Å; E129-R138 PolarHBondContact OE2-N 2.86Å; E129-R169 PolarHBondContact O-NH1 3.11Å; E129-F172 HydrophobicContact CB-CE2 4.07Å; E129-F172 HydrophobicContact CB-CZ 4.45Å
130	G	96.6	Very high	98.2	Very high	6 Å²	6	17.4 Å²	17.4	6%	0.062	10%	0.1	C	C	.	.			trans	-74.5	-15.6	175.3	0	0	0	0	0	114.7	D128 P132 Y214	D128-G130 VanDerWaalsContact C-N 3.26Å; D128-G130 PolarHBondContact O-N 3.26Å; D128-G130 VanDerWaalsContact O-N 3.1Å; G130-P132 WeakPolarHBondContact O-CD 3.5Å; G130-Y214 VanDerWaalsContact C-CD2 3.44Å
131	E	98.1	Very high	98.3	Very high	17 Å²	17	15.3 Å²	15.3	8%	0.079	9%	0.086	C	C	.	.	S	Bend	trans	-66.2	119.4	-170.3	-177	77.6	-172.4	0	0	112.4	E129 G133 T134 Y214 G331 S332 S333 T361	E129-E131 VanDerWaalsContact C-N 3.3Å; E131-G133 PolarHBondContact O-N 2.91Å; E131-T134 WeakPolarHBondContact CB-OG1 3.34Å; E131-T134 WeakPolarHBondContact CG-OG1 3.49Å; E131-T134 VanDerWaalsContact O-CB 3.22Å; E131-T134 WeakPolarHBondContact O-CB 3.35Å; E131-T134 PolarHBondContact O-N 3.24Å; E131-T134 PolarHBondContact O-OG1 3.34Å; E131-T134 VanDerWaalsContact O-OG1 3.13Å; E131-Y214 HydrophobicContact CB-CE2 4.1Å; E131-Y214 WeakPolarHBondContact OE2-CE2 3.47Å; E131-Y214 VanDerWaalsContact OE2-CZ 3.25Å; E131-Y214 PolarHBondContact OE2-OH 3.25Å; E131-G331 VanDerWaalsContact OE1-C 3.29Å; E131-S332 PolarHBondContact OE1-N 3.13Å; E131-S332 PolarHBondContact OE1-OG 2.81Å; E131-S333 VanDerWaalsContact OE1-CB 3.27Å; E131-S333 WeakPolarHBondContact OE1-CB 3.33Å; E131-S333 PolarHBondContact OE1-N 2.88Å; E131-S333 PolarHBondContact OE1-OG 3.49Å; E131-T361 HydrophobicContact CB-CG2 4.29Å; E131-T361 HydrophobicContact CG-CG2 4.07Å
132	P	98.4	Very high	98.2	Very high	34 Å²	34	17.3 Å²	17.3	22%	0.221	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	133	175.5	-26.6	30.4	0	0	0	113.4	G130 T134 S332 F383	G130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-T134 VanDerWaalsContact C-N 3.3Å; P132-S332 WeakPolarHBondContact CD-OG 3.49Å; P132-S332 WeakPolarHBondContact CG-OG 3.33Å; P132-S332 PolarHBondContact O-N 3.46Å; P132-F383 VanDerWaalsContact CD-CZ 3.41Å; P132-F383 HydrophobicContact CG-CD1 3.85Å; P132-F383 HydrophobicContact CG-CD2 4.08Å; P132-F383 HydrophobicContact CG-CE1 3.61Å; P132-F383 HydrophobicContact CG-CE2 3.83Å; P132-F383 HydrophobicContact CG-CG 4.09Å; P132-F383 HydrophobicContact CG-CZ 3.6Å
133	G	97.4	Very high	98.2	Very high	27 Å²	27	17.8 Å²	17.8	28%	0.278	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-10.3	-174.7	0	0	0	0	0	114.3	E131 N287 A363	E131-G133 PolarHBondContact O-N 2.91Å; G133-N287 VanDerWaalsContact O-CB 3.26Å; G133-N287 WeakPolarHBondContact O-CB 3.4Å; G133-A363 WeakPolarHBondContact O-CB 3.27Å
134	T	98.5	Very high	98.2	Very high	15 Å²	15	17.9 Å²	17.9	9%	0.092	10%	0.096	C	C	.	.			trans	-98.7	126.9	-175.9	-42.4	0	0	0	0	111.4	E129 E131 P132 K136 T361 A363	E129-T134 HydrophobicContact CG-CG2 3.87Å; E129-T134 VanDerWaalsContact OE1-CG2 3.28Å; E129-T134 WeakPolarHBondContact OE1-CG2 3.33Å; E131-T134 WeakPolarHBondContact CB-OG1 3.34Å; E131-T134 WeakPolarHBondContact CG-OG1 3.49Å; E131-T134 VanDerWaalsContact O-CB 3.22Å; E131-T134 WeakPolarHBondContact O-CB 3.35Å; E131-T134 PolarHBondContact O-N 3.24Å; E131-T134 PolarHBondContact O-OG1 3.34Å; E131-T134 VanDerWaalsContact O-OG1 3.13Å; P132-T134 VanDerWaalsContact C-N 3.3Å; T134-K136 HydrophobicContact CG2-CD 4.38Å; T134-K136 HydrophobicContact CG2-CG 3.83Å; T134-T361 HydrophobicContact CG2-CG2 4.04Å; T134-T361 PolarHBondContact OG1-OG1 3.48Å; T134-A363 WeakPolarHBondContact OG1-CB 3.18Å
135	C	98.3	Very high	98.2	Very high	45 Å²	45	17.9 Å²	17.9	30%	0.304	10%	0.096	S	C	.	.			trans	-147.2	23.8	176.6	54.5	0	0	0	0	112.8	E129 E139 N287 T297	E129-C135 VanDerWaalsContact OE1-C 3.27Å; E129-C135 WeakPolarHBondContact OE1-CA 3.43Å; E129-C135 PolarHBondContact OE1-N 2.83Å; E129-C135 WeakPolarHBondContact OE2-CA 3.5Å; C135-E139 WeakPolarHBondContact O-CG 3.26Å; C135-N287 PolarHBondContact N-ND2 2.91Å; C135-N287 VanDerWaalsContact N-ND2 3.15Å; C135-N287 PolarHBondContact SG-OD1 3Å; C135-N287 VanDerWaalsContact SG-OD1 3.35Å; C135-T297 PolarHBondContact SG-OG1 3.37Å
136	K	98.4	Very high	98.2	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-78.1	-40.7	-177.1	51.6	167.2	-176.2	53.8	0	112.4	R98 E129 T134 R138 E139 I140 N254 E256 L285 N287 T297 T361	R98-K136 WeakPolarHBondContact O-CE 3.32Å; E129-K136 VanDerWaalsContact OE1-CG 3.29Å; E129-K136 WeakPolarHBondContact OE1-CG 3.47Å; E129-K136 PolarHBondContact OE1-N 3Å; T134-K136 HydrophobicContact CG2-CD 4.38Å; T134-K136 HydrophobicContact CG2-CG 3.83Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-E139 PolarHBondContact O-N 2.91Å; K136-I140 WeakPolarHBondContact O-CG1 3.22Å; K136-I140 PolarHBondContact O-N 3.44Å; K136-N254 PolarHBondContact NZ-ND2 2.82Å; K136-E256 WeakPolarHBondContact CD-OE2 3.35Å; K136-E256 WeakPolarHBondContact CE-OE2 3.37Å; K136-E256 IonicContact NZ-OE2 3.38Å; K136-L285 HydrophobicContact CB-CB 3.67Å; K136-L285 HydrophobicContact CB-CD1 3.9Å; K136-L285 HydrophobicContact CB-CG 4.43Å; K136-L285 HydrophobicContact CD-CB 4.07Å; K136-N287 PolarHBondContact N-ND2 3.15Å; K136-N287 PolarHBondContact N-OD1 3.29Å; K136-T297 HydrophobicContact CB-CG2 4.42Å; K136-T361 VanDerWaalsContact CE-O 3.3Å; K136-T361 WeakPolarHBondContact CE-O 2.91Å
137	D	98.5	Very high	98.2	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-71.6	-36.9	-178.2	-55.3	-46.1	0	0	0	108.7	E129 E139 I140 L141 N254 V255	E129-D137 HydrophobicContact CB-CB 4.27Å; E129-D137 HydrophobicContact CG-CB 4.37Å; E129-D137 PolarHBondContact OE1-N 3.25Å; E129-D137 PolarHBondContact OE2-N 3.46Å; D137-E139 VanDerWaalsContact C-N 3.32Å; D137-E139 PolarHBondContact O-N 3.19Å; D137-I140 PolarHBondContact O-N 2.83Å; D137-I140 VanDerWaalsContact O-N 3.16Å; D137-L141 WeakPolarHBondContact O-CD1 3.32Å; D137-L141 WeakPolarHBondContact O-CG 3.3Å; D137-L141 PolarHBondContact O-N 3.13Å; D137-N254 PolarHBondContact OD1-ND2 3.5Å; D137-N254 PolarHBondContact OD2-OD1 3.41Å; D137-V255 HydrophobicContact CB-CB 3.95Å; D137-V255 HydrophobicContact CB-CG1 4.24Å; D137-V255 HydrophobicContact CB-CG2 4.24Å
138	R	98.7	Very high	98.2	Very high	68 Å²	68	17 Å²	17	26%	0.257	9%	0.091	S	C	.	.	H	α-helix	trans	-50.5	-47.6	168.3	-174.2	179.1	176.2	-94	-6.6	113	E129 K136 L141 R142 F172 E175	E129-R138 WeakPolarHBondContact OE2-CB 3.42Å; E129-R138 PolarHBondContact OE2-N 2.86Å; K136-R138 VanDerWaalsContact C-N 3.33Å; R138-L141 PolarHBondContact O-N 3.34Å; R138-R142 VanDerWaalsContact NH2-NH1 3.13Å; R138-R142 WeakPolarHBondContact O-CB 3.36Å; R138-R142 PolarHBondContact O-N 3.35Å; R138-F172 HydrophobicContact CB-CE1 4.47Å; R138-F172 HydrophobicContact CB-CE2 3.92Å; R138-F172 HydrophobicContact CB-CZ 3.83Å; R138-F172 HydrophobicContact CG-CE1 4.23Å; R138-F172 HydrophobicContact CG-CE2 4.34Å; R138-F172 HydrophobicContact CG-CZ 4.08Å; R138-E175 HydrophobicContact CG-CG 4.13Å; R138-E175 IonicContact CZ-OE1 3.82Å; R138-E175 VanDerWaalsContact CZ-OE1 3.23Å; R138-E175 IonicContact NE-OE1 2.86Å; R138-E175 PolarHBondContact NE-OE1 3.1Å; R138-E175 IonicContact NH2-OE1 3.83Å; R138-E175 PolarHBondContact NH2-OE1 3.14Å
139	E	98.6	Very high	98.3	Very high	23 Å²	23	17 Å²	17	11%	0.107	9%	0.091	C	C	.	.	H	α-helix	trans	-67.5	-37.4	179.6	-61.2	-49.2	134.7	0	0	112.1	L55 C135 K136 D137 R142 H143 T297	L55-E139 HydrophobicContact CD1-CB 3.6Å; L55-E139 HydrophobicContact CD1-CG 4.44Å; L55-E139 HydrophobicContact CG-CB 4.42Å; C135-E139 WeakPolarHBondContact O-CG 3.26Å; K136-E139 PolarHBondContact O-N 2.91Å; D137-E139 VanDerWaalsContact C-N 3.32Å; D137-E139 PolarHBondContact O-N 3.19Å; E139-R142 VanDerWaalsContact CD-NH2 3.34Å; E139-R142 PolarHBondContact O-N 3.03Å; E139-R142 IonicContact OE1-CZ 2.68Å; E139-R142 IonicContact OE1-NH2 3.23Å; E139-R142 PolarHBondContact OE1-NH2 3.46Å; E139-R142 IonicContact OE2-CZ 2.69Å; E139-R142 IonicContact OE2-NE 2.92Å; E139-R142 IonicContact OE2-NH2 3.82Å; E139-R142 PolarHBondContact OE2-NH2 3.32Å; E139-H143 WeakPolarHBondContact O-CB 3.08Å; E139-H143 PolarHBondContact O-N 3.23Å; E139-H143 IonicContact OE2-CE1 3.23Å; E139-H143 PolarHBondContact OE2-CE1 2.98Å; E139-H143 IonicContact OE2-ND1 2.87Å; E139-H143 PolarHBondContact OE2-ND1 2.98Å; E139-H143 IonicContact OE2-NE2 2.59Å; E139-T297 HydrophobicContact CG-CG2 4.45Å
140	I	98.8	Very high	98.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-48.7	174.3	-61.3	168.9	0	0	0	110.5	F52 K136 D137 R142 D144 L148 V255 E256 A259 L285	F52-I140 HydrophobicContact CD1-CD1 4.18Å; F52-I140 HydrophobicContact CD1-CG1 3.84Å; F52-I140 HydrophobicContact CE1-CD1 3.49Å; F52-I140 VanDerWaalsContact CE1-CD1 3.49Å; F52-I140 HydrophobicContact CE1-CG1 3.63Å; F52-I140 HydrophobicContact CE1-CG2 4.27Å; F52-I140 HydrophobicContact CE2-CD1 4.5Å; F52-I140 HydrophobicContact CZ-CD1 3.67Å; F52-I140 HydrophobicContact CZ-CG1 4.27Å; K136-I140 WeakPolarHBondContact O-CG1 3.22Å; K136-I140 PolarHBondContact O-N 3.44Å; D137-I140 PolarHBondContact O-N 2.83Å; D137-I140 VanDerWaalsContact O-N 3.16Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.93Å; I140-D144 CarbonylContact O-C 3.37Å; I140-D144 WeakPolarHBondContact O-CA 3.1Å; I140-D144 PolarHBondContact O-N 3.02Å; I140-L148 HydrophobicContact CG2-CB 4.28Å; I140-V255 HydrophobicContact CB-CG1 3.77Å; I140-V255 HydrophobicContact CD1-CG1 3.75Å; I140-V255 HydrophobicContact CG1-CG1 4.37Å; I140-V255 HydrophobicContact CG2-CG1 3.58Å; I140-E256 HydrophobicContact CD1-CB 3.97Å; I140-E256 HydrophobicContact CD1-CG 4.38Å; I140-A259 HydrophobicContact CG2-CB 4.18Å; I140-L285 HydrophobicContact CD1-CD1 3.64Å; I140-L285 HydrophobicContact CG1-CD1 3.91Å
141	L	98.6	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-178.7	-66.6	159.4	0	0	0	111.8	A127 D137 R138 L148 I168 F172 E175 L179	A127-L141 HydrophobicContact CB-CD1 4.19Å; A127-L141 HydrophobicContact CB-CD2 4.24Å; D137-L141 WeakPolarHBondContact O-CD1 3.32Å; D137-L141 WeakPolarHBondContact O-CG 3.3Å; D137-L141 PolarHBondContact O-N 3.13Å; R138-L141 PolarHBondContact O-N 3.34Å; L141-L148 HydrophobicContact CD2-CD2 3.65Å; L141-I168 HydrophobicContact CD1-CD1 3.95Å; L141-I168 HydrophobicContact CD1-CG1 4.04Å; L141-I168 HydrophobicContact CD2-CD1 4.17Å; L141-F172 HydrophobicContact CD1-CD2 4.15Å; L141-E175 HydrophobicContact CB-CB 4.04Å; L141-L179 HydrophobicContact CD2-CD2 3.93Å
142	R	97.8	Very high	98.5	Very high	70 Å²	70	15.3 Å²	15.3	26%	0.264	8%	0.081	S	C	.	.	H	α-helix	trans	-81.8	-38	-174.8	-165.2	170.6	55.5	161.8	-3.8	113.7	R138 E139 I140 E175	R138-R142 VanDerWaalsContact NH2-NH1 3.13Å; R138-R142 WeakPolarHBondContact O-CB 3.36Å; R138-R142 PolarHBondContact O-N 3.35Å; E139-R142 VanDerWaalsContact CD-NH2 3.34Å; E139-R142 PolarHBondContact O-N 3.03Å; E139-R142 IonicContact OE1-CZ 2.68Å; E139-R142 IonicContact OE1-NH2 3.23Å; E139-R142 PolarHBondContact OE1-NH2 3.46Å; E139-R142 IonicContact OE2-CZ 2.69Å; E139-R142 IonicContact OE2-NE 2.92Å; E139-R142 IonicContact OE2-NH2 3.82Å; E139-R142 PolarHBondContact OE2-NH2 3.32Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.93Å; R142-E175 HydrophobicContact CB-CG 3.82Å; R142-E175 HydrophobicContact CG-CG 4.2Å
143	H	98.5	Very high	98.6	Very high	24 Å²	24	13.7 Å²	13.7	11%	0.111	7%	0.071	C	C	.	.	H	α-helix	trans	-115.2	-22.3	-166.2	-56.9	154.6	0	0	0	115	N54 L55 G57 W61 E139 P145	N54-H143 PolarHBondContact ND2-O 3.46Å; N54-H143 WeakPolarHBondContact O-CB 3.32Å; L55-H143 PolarHBondContact O-ND1 3Å; G57-H143 PolarHBondContact N-ND1 3.09Å; W61-H143 WeakPolarHBondContact CB-O 3.25Å; E139-H143 WeakPolarHBondContact O-CB 3.08Å; E139-H143 PolarHBondContact O-N 3.23Å; E139-H143 IonicContact OE2-CE1 3.23Å; E139-H143 PolarHBondContact OE2-CE1 2.98Å; E139-H143 IonicContact OE2-ND1 2.87Å; E139-H143 PolarHBondContact OE2-ND1 2.98Å; E139-H143 IonicContact OE2-NE2 2.59Å; H143-P145 VanDerWaalsContact C-CD 3.48Å
144	D	97.7	Very high	98.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.057	C	C	.	.			trans	-135.1	49.9	176.2	-84.5	-41.3	0	0	0	113	N54 R69 I140 H146 K147	N54-D144 WeakPolarHBondContact CA-OD2 3.22Å; N54-D144 VanDerWaalsContact CB-OD1 3.29Å; N54-D144 WeakPolarHBondContact CB-OD1 3.35Å; N54-D144 WeakPolarHBondContact CB-OD2 2.92Å; N54-D144 PolarHBondContact N-OD2 3.27Å; R69-D144 IonicContact CZ-OD1 3.3Å; R69-D144 IonicContact NE-OD1 2.86Å; R69-D144 PolarHBondContact NE-OD1 3.16Å; R69-D144 IonicContact NH2-OD1 3.41Å; R69-D144 PolarHBondContact NH2-OD1 3.45Å; I140-D144 CarbonylContact O-C 3.37Å; I140-D144 WeakPolarHBondContact O-CA 3.1Å; I140-D144 PolarHBondContact O-N 3.02Å; D144-H146 VanDerWaalsContact C-N 3.3Å; D144-H146 PolarHBondContact O-N 3.32Å; D144-K147 HydrophobicContact CB-CB 4.31Å; D144-K147 WeakPolarHBondContact O-CB 3.44Å; D144-K147 PolarHBondContact O-N 3.46Å; D144-K147 VanDerWaalsContact O-N 3.14Å
145	P	98.7	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.4	-32.6	-175.2	25	-34	0	0	0	113.3	W61 H143 K147 L148 I149 L179 A182	W61-P145 HydrophobicContact CE3-CG 3.71Å; W61-P145 HydrophobicContact CZ3-CG 4.28Å; H143-P145 VanDerWaalsContact C-CD 3.48Å; P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 2.98Å; P145-L148 WeakPolarHBondContact O-CB 3.21Å; P145-L148 PolarHBondContact O-N 3.47Å; P145-L148 VanDerWaalsContact O-N 3.15Å; P145-I149 VanDerWaalsContact O-CG1 3.3Å; P145-I149 WeakPolarHBondContact O-CG1 3.28Å; P145-I149 PolarHBondContact O-N 3.2Å; P145-L179 HydrophobicContact CB-CD1 3.79Å; P145-A182 HydrophobicContact CB-CB 3.79Å; P145-A182 HydrophobicContact CG-CB 3.71Å
146	H	98.9	Very high	98.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-63.1	-31.6	177.5	-80.1	-73.3	0	0	0	113.3	W61 L63 A66 W72 D144 L148 I149 E150 A182 E185	W61-H146 PolarHBondContact O-CD2 3.2Å; L63-H146 WeakPolarHBondContact CA-NE2 3.14Å; L63-H146 PolarHBondContact N-CD2 3.23Å; L63-H146 PolarHBondContact N-NE2 3.21Å; A66-H146 HydrophobicContact CB-CB 3.55Å; W72-H146 AromaticContact NE1-CG 3.81Å; W72-H146 AromaticContact NE1-ND1 3.39Å; W72-H146 PolarHBondContact NE1-ND1 3.3Å; D144-H146 VanDerWaalsContact C-N 3.3Å; D144-H146 PolarHBondContact O-N 3.32Å; H146-L148 VanDerWaalsContact C-N 3.34Å; H146-I149 PolarHBondContact O-N 3.11Å; H146-E150 WeakPolarHBondContact O-CB 3.36Å; H146-E150 PolarHBondContact O-N 2.87Å; H146-A182 PolarHBondContact CE1-O 3.29Å; H146-A182 VanDerWaalsContact CE1-O 3.25Å; H146-E185 IonicContact CE1-OE2 2.71Å; H146-E185 IonicContact NE2-OE2 3.67Å; H146-E185 PolarHBondContact NE2-OE2 2.91Å
147	K	98.8	Very high	98.6	Very high	7 Å²	7	12.3 Å²	12.3	3%	0.03	5%	0.049	C	C	.	.	H	α-helix	trans	-66.3	-39.3	175.6	-167	-179	-56.6	-68.2	0	111.1	I51 F52 D71 D144 P145 G151 A259	I51-K147 HydrophobicContact CG2-CD 4.1Å; I51-K147 WeakPolarHBondContact O-CE 3.49Å; I51-K147 PolarHBondContact O-NZ 2.92Å; F52-K147 HydrophobicContact CD1-CD 3.89Å; F52-K147 HydrophobicContact CE1-CD 4Å; D71-K147 IonicContact OD1-NZ 3.06Å; D71-K147 PolarHBondContact OD1-NZ 3.1Å; D71-K147 IonicContact OD2-NZ 3.03Å; D144-K147 HydrophobicContact CB-CB 4.31Å; D144-K147 WeakPolarHBondContact O-CB 3.44Å; D144-K147 PolarHBondContact O-N 3.46Å; D144-K147 VanDerWaalsContact O-N 3.14Å; P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 2.98Å; K147-G151 PolarHBondContact O-N 3.21Å; K147-A259 HydrophobicContact CG-CB 4.46Å; K147-A259 WeakPolarHBondContact CG-O 3.22Å
148	L	98.9	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66	-46.4	173.1	178	59.1	0	0	0	112	V125 I140 L141 P145 H146 E150 G151 C152 I166 L179 V255 V258 A259	V125-L148 HydrophobicContact CG1-CD1 4.07Å; I140-L148 HydrophobicContact CG2-CB 4.28Å; L141-L148 HydrophobicContact CD2-CD2 3.65Å; P145-L148 WeakPolarHBondContact O-CB 3.21Å; P145-L148 PolarHBondContact O-N 3.47Å; P145-L148 VanDerWaalsContact O-N 3.15Å; H146-L148 VanDerWaalsContact C-N 3.34Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-E150 PolarHBondContact O-N 2.92Å; L148-G151 CarbonylContact O-C 3.52Å; L148-G151 WeakPolarHBondContact O-CA 3.45Å; L148-G151 PolarHBondContact O-N 3.04Å; L148-G151 VanDerWaalsContact O-N 3.11Å; L148-C152 PolarHBondContact O-N 2.87Å; L148-C152 PolarHBondContact O-SG 3.23Å; L148-I166 HydrophobicContact CD2-CD1 4.24Å; L148-I166 HydrophobicContact CD2-CG2 4.5Å; L148-I166 HydrophobicContact CG-CD1 4.47Å; L148-L179 HydrophobicContact CD2-CD1 4.45Å; L148-V255 HydrophobicContact CD1-CB 4.41Å; L148-V255 HydrophobicContact CD1-CG1 3.98Å; L148-V255 HydrophobicContact CD1-CG2 4.5Å; L148-V255 HydrophobicContact CD2-CG1 4Å; L148-V255 HydrophobicContact CD2-CG2 4.19Å; L148-V255 HydrophobicContact CG-CG1 4.48Å; L148-V258 HydrophobicContact CD1-CB 4.19Å; L148-V258 HydrophobicContact CD1-CG1 4.05Å; L148-A259 HydrophobicContact CB-CB 4.48Å; L148-A259 HydrophobicContact CD1-CB 4.34Å
149	I	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-43.1	-179.2	-60.8	160.3	0	0	0	110.6	W72 P145 H146 G151 C152 L153 L179 A182 I183 A186 I192 V205	W72-I149 HydrophobicContact CH2-CG2 3.96Å; W72-I149 HydrophobicContact CZ2-CB 4.02Å; W72-I149 HydrophobicContact CZ2-CG2 3.71Å; P145-I149 VanDerWaalsContact O-CG1 3.3Å; P145-I149 WeakPolarHBondContact O-CG1 3.28Å; P145-I149 PolarHBondContact O-N 3.2Å; H146-I149 PolarHBondContact O-N 3.11Å; I149-G151 VanDerWaalsContact C-N 3.31Å; I149-G151 PolarHBondContact O-N 2.67Å; I149-C152 WeakPolarHBondContact O-CB 3.24Å; I149-C152 PolarHBondContact O-N 2.59Å; I149-L153 PolarHBondContact O-N 3Å; I149-L153 VanDerWaalsContact O-N 3.17Å; I149-L179 HydrophobicContact CD1-CD1 4.08Å; I149-L179 HydrophobicContact CG1-CD1 3.96Å; I149-A182 HydrophobicContact CD1-CB 3.67Å; I149-I183 HydrophobicContact CD1-CB 4.44Å; I149-I183 HydrophobicContact CD1-CG1 3.64Å; I149-I183 HydrophobicContact CG1-CG1 3.91Å; I149-A186 HydrophobicContact CG2-CB 4.24Å; I149-I192 HydrophobicContact CG2-CD1 4.06Å; I149-I192 HydrophobicContact CG2-CG2 4.03Å; I149-V205 HydrophobicContact CG2-CG2 4.44Å
150	E	98.9	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.3	-42.4	172.5	-173.4	-178.1	-161.1	0	0	111.2	W72 T75 H146 L148 C152 L153 V154 P262 R266	W72-E150 WeakPolarHBondContact CA-OE1 3.42Å; W72-E150 HydrophobicContact CD2-CB 4.06Å; W72-E150 HydrophobicContact CD2-CG 4.2Å; W72-E150 HydrophobicContact CE3-CB 4.13Å; W72-E150 HydrophobicContact CE3-CG 3.94Å; W72-E150 HydrophobicContact CH2-CB 3.97Å; W72-E150 HydrophobicContact CH2-CG 4.45Å; W72-E150 HydrophobicContact CZ2-CB 3.88Å; W72-E150 HydrophobicContact CZ3-CB 4.1Å; W72-E150 HydrophobicContact CZ3-CG 4.08Å; W72-E150 VanDerWaalsContact N-CD 3.27Å; W72-E150 PolarHBondContact N-OE1 2.95Å; W72-E150 PolarHBondContact N-OE2 3.46Å; T75-E150 HydrophobicContact CG2-CG 3.94Å; T75-E150 PolarHBondContact OG1-OE1 3.03Å; H146-E150 WeakPolarHBondContact O-CB 3.36Å; H146-E150 PolarHBondContact O-N 2.87Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-E150 PolarHBondContact O-N 2.92Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.15Å; E150-L153 PolarHBondContact O-N 3.26Å; E150-L153 VanDerWaalsContact O-N 3.13Å; E150-V154 HydrophobicContact CG-CG2 4.46Å; E150-V154 WeakPolarHBondContact O-CG2 3.46Å; E150-V154 PolarHBondContact O-N 2.93Å; E150-P262 HydrophobicContact CB-CG 4.13Å; E150-P262 HydrophobicContact CG-CB 3.9Å; E150-P262 HydrophobicContact CG-CG 3.78Å; E150-R266 IonicContact OE1-CZ 3.11Å; E150-R266 IonicContact OE1-NH1 3.41Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.86Å; E150-R266 IonicContact OE2-CZ 2.88Å; E150-R266 IonicContact OE2-NH1 2.65Å; E150-R266 PolarHBondContact OE2-NH1 2.71Å; E150-R266 IonicContact OE2-NH2 3.19Å; E150-R266 PolarHBondContact OE2-NH2 3.25Å
151	G	98.9	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-55.9	-41.7	172.9	0	0	0	0	0	112.9	K147 L148 I149 L153 V154 A155 V258 P262	K147-G151 PolarHBondContact O-N 3.21Å; L148-G151 CarbonylContact O-C 3.52Å; L148-G151 WeakPolarHBondContact O-CA 3.45Å; L148-G151 PolarHBondContact O-N 3.04Å; L148-G151 VanDerWaalsContact O-N 3.11Å; I149-G151 VanDerWaalsContact C-N 3.31Å; I149-G151 PolarHBondContact O-N 2.67Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 3.41Å; G151-V154 PolarHBondContact O-N 3.3Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 2.72Å; G151-V258 VanDerWaalsContact CA-O 3.25Å; G151-V258 WeakPolarHBondContact CA-O 3.43Å; G151-P262 VanDerWaalsContact CA-CG 3.42Å
152	C	98.9	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.9	-64.6	0	0	0	0	111.2	L123 L148 I149 E150 G156 A164 F203 V205	L123-C152 HydrophobicContact CD2-CB 4.21Å; L148-C152 PolarHBondContact O-N 2.87Å; L148-C152 PolarHBondContact O-SG 3.23Å; I149-C152 WeakPolarHBondContact O-CB 3.24Å; I149-C152 PolarHBondContact O-N 2.59Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.15Å; C152-G156 WeakPolarHBondContact O-CA 3.27Å; C152-G156 PolarHBondContact O-N 3.33Å; C152-A164 HydrophobicContact CB-CB 3.82Å; C152-F203 HydrophobicContact CB-CE1 4.05Å; C152-F203 HydrophobicContact CB-CZ 4.38Å; C152-F203 WeakPolarHBondContact O-CE1 3.4Å; C152-F203 WeakPolarHBondContact O-CZ 3.24Å; C152-V205 HydrophobicContact CB-CG2 4.44Å
153	L	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-46.3	178.2	179.2	63.1	0	0	0	111.8	W72 T75 I79 I149 E150 G151 R157 A196 Y201 F203	W72-L153 HydrophobicContact CZ3-CD2 3.84Å; T75-L153 HydrophobicContact CG2-CD2 3.95Å; I79-L153 HydrophobicContact CD1-CD1 4.37Å; I79-L153 HydrophobicContact CD1-CD2 4.38Å; I79-L153 HydrophobicContact CD1-CG 3.84Å; I79-L153 HydrophobicContact CG1-CD2 4.33Å; I79-L153 HydrophobicContact CG1-CG 4.31Å; I149-L153 PolarHBondContact O-N 3Å; I149-L153 VanDerWaalsContact O-N 3.17Å; E150-L153 PolarHBondContact O-N 3.26Å; E150-L153 VanDerWaalsContact O-N 3.13Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 3.41Å; L153-R157 VanDerWaalsContact O-CB 3.28Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 PolarHBondContact O-N 3.26Å; L153-A196 HydrophobicContact CD1-CB 3.73Å; L153-A196 HydrophobicContact CD2-CB 4.18Å; L153-Y201 HydrophobicContact CD1-CD1 3.97Å; L153-Y201 HydrophobicContact CD1-CE1 4.32Å; L153-F203 HydrophobicContact CB-CD1 4.2Å; L153-F203 HydrophobicContact CB-CE1 4.32Å; L153-F203 HydrophobicContact CD1-CB 3.68Å; L153-F203 HydrophobicContact CD1-CD1 3.67Å; L153-F203 HydrophobicContact CD1-CE1 4.49Å; L153-F203 HydrophobicContact CD1-CG 3.77Å
154	V	98.9	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.2	-48.5	-179.4	173.8	0	0	0	0	111.2	T75 I78 I79 I86 E150 G151 R157 A158 P262	T75-V154 HydrophobicContact CG2-CG2 4.32Å; I78-V154 HydrophobicContact CG2-CG1 4.19Å; I78-V154 HydrophobicContact CG2-CG2 4.09Å; I79-V154 HydrophobicContact CD1-CG2 4.49Å; I86-V154 HydrophobicContact CG2-CG1 3.86Å; E150-V154 HydrophobicContact CG-CG2 4.46Å; E150-V154 WeakPolarHBondContact O-CG2 3.46Å; E150-V154 PolarHBondContact O-N 2.93Å; G151-V154 PolarHBondContact O-N 3.3Å; V154-R157 PolarHBondContact O-N 3.15Å; V154-A158 PolarHBondContact O-N 3.5Å; V154-P262 HydrophobicContact CB-CG 4.34Å; V154-P262 HydrophobicContact CG2-CB 4.23Å; V154-P262 HydrophobicContact CG2-CG 4.05Å
155	A	98.6	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-40.8	177.2	0	0	0	0	0	111.6	W109 L123 G151 R157 A158 M159 V258	W109-A155 HydrophobicContact CH2-CB 3.46Å; W109-A155 VanDerWaalsContact CH2-CB 3.46Å; W109-A155 HydrophobicContact CZ2-CB 3.71Å; W109-A155 HydrophobicContact CZ3-CB 3.94Å; L123-A155 HydrophobicContact CD2-CB 4.02Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 2.72Å; A155-R157 PolarHBondContact O-N 2.86Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.06Å; A155-M159 HydrophobicContact CB-CE 4.35Å; A155-M159 WeakPolarHBondContact O-CE 3.48Å; A155-M159 PolarHBondContact O-N 3.46Å; A155-M159 VanDerWaalsContact O-N 3.15Å; A155-V258 HydrophobicContact CB-CG1 4.4Å
156	G	98.5	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-47.1	175.1	0	0	0	0	0	111.5	C152 A158 M159 G160 A161 Y201	C152-G156 WeakPolarHBondContact O-CA 3.27Å; C152-G156 PolarHBondContact O-N 3.33Å; G156-A158 VanDerWaalsContact C-N 3.35Å; G156-A158 PolarHBondContact O-N 3.01Å; G156-M159 CarbonylContact O-C 3.59Å; G156-M159 PolarHBondContact O-N 3.41Å; G156-G160 PolarHBondContact O-N 3.41Å; G156-A161 PolarHBondContact O-N 2.91Å; G156-Y201 PolarHBondContact O-OH 2.94Å
157	R	98.5	Very high	98.6	Very high	59 Å²	59	14.5 Å²	14.5	22%	0.223	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-41.1	175.2	178.7	64.8	179.1	123.3	-4.4	112.8	I79 I86 L153 V154 A155 M159 G160 Y201	I79-R157 HydrophobicContact CB-CG 4.46Å; I79-R157 HydrophobicContact CD1-CB 3.46Å; I79-R157 VanDerWaalsContact CD1-CB 3.46Å; I79-R157 HydrophobicContact CD1-CG 3.71Å; I79-R157 HydrophobicContact CG2-CG 3.93Å; I79-R157 PolarHBondContact O-NE 2.87Å; I79-R157 VanDerWaalsContact O-NE 3.13Å; I86-R157 HydrophobicContact CD1-CB 4.16Å; I86-R157 HydrophobicContact CD1-CG 3.76Å; L153-R157 VanDerWaalsContact O-CB 3.28Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 PolarHBondContact O-N 3.26Å; V154-R157 PolarHBondContact O-N 3.15Å; A155-R157 PolarHBondContact O-N 2.86Å; R157-M159 PolarHBondContact O-N 2.98Å; R157-G160 PolarHBondContact O-N 3.32Å; R157-Y201 HydrophobicContact CB-CE1 4.15Å
158	A	98.2	Very high	98.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-60.3	-31.2	177.6	0	0	0	0	0	112.8	I86 L87 W109 V154 A155 G156	I86-A158 HydrophobicContact CB-CB 4.02Å; I86-A158 HydrophobicContact CG2-CB 3.6Å; L87-A158 WeakPolarHBondContact CD1-O 3.33Å; L87-A158 HydrophobicContact CD2-CB 4.04Å; L87-A158 HydrophobicContact CG-CB 4.18Å; W109-A158 HydrophobicContact CE3-CB 4.08Å; W109-A158 HydrophobicContact CZ3-CB 4.39Å; V154-A158 PolarHBondContact O-N 3.5Å; A155-A158 WeakPolarHBondContact O-CB 3.49Å; A155-A158 PolarHBondContact O-N 3.06Å; G156-A158 VanDerWaalsContact C-N 3.35Å; G156-A158 PolarHBondContact O-N 3.01Å
159	M	97.6	Very high	98.5	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.02	8%	0.077	C	C	.	.	H	α-helix	trans	-104	-1.5	-177.4	-62.8	-175.1	-68.4	0	0	113.6	W109 M112 K121 L123 A155 G156 R157 A161 T251	W109-M159 HydrophobicContact CB-CG 3.83Å; W109-M159 HydrophobicContact CB-SD 3.86Å; W109-M159 HydrophobicContact CD2-SD 4.37Å; W109-M159 HydrophobicContact CG-CG 4.15Å; W109-M159 HydrophobicContact CG-SD 3.72Å; M112-M159 HydrophobicContact CB-CB 3.77Å; M112-M159 HydrophobicContact CB-CG 4.07Å; M112-M159 HydrophobicContact CB-SD 4.46Å; M112-M159 HydrophobicContact CG-CB 4.09Å; M112-M159 HydrophobicContact CG-CG 4.16Å; M112-M159 HydrophobicContact CG-SD 3.9Å; K121-M159 WeakPolarHBondContact CD-O 3.07Å; L123-M159 HydrophobicContact CB-CE 4.11Å; L123-M159 HydrophobicContact CD1-CE 3.72Å; L123-M159 HydrophobicContact CG-CE 4.33Å; A155-M159 HydrophobicContact CB-CE 4.35Å; A155-M159 WeakPolarHBondContact O-CE 3.48Å; A155-M159 PolarHBondContact O-N 3.46Å; A155-M159 VanDerWaalsContact O-N 3.15Å; G156-M159 CarbonylContact O-C 3.59Å; G156-M159 PolarHBondContact O-N 3.41Å; R157-M159 PolarHBondContact O-N 2.98Å; M159-A161 VanDerWaalsContact C-N 3.3Å; M159-A161 PolarHBondContact O-N 3.14Å; M159-T251 HydrophobicContact CE-CG2 4.37Å; M159-T251 VanDerWaalsContact SD-CB 3.54Å; M159-T251 HydrophobicContact SD-CG2 3.8Å
160	G	97.1	Very high	98.5	Very high	35 Å²	35	17.5 Å²	17.5	36%	0.361	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	33.9	-173.4	0	0	0	0	0	113.3	G156 R157	G156-G160 PolarHBondContact O-N 3.41Å; R157-G160 PolarHBondContact O-N 3.32Å
161	A	98.2	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.			trans	-76.3	130	-178.8	0	0	0	0	0	111.6	K121 L123 G156 M159 A163 Y201 F203	K121-A161 CarbonylContact O-C 3.21Å; K121-A161 VanDerWaalsContact O-CA 3.29Å; K121-A161 WeakPolarHBondContact O-CA 3.46Å; L123-A161 HydrophobicContact CB-CB 4.18Å; G156-A161 PolarHBondContact O-N 2.91Å; M159-A161 VanDerWaalsContact C-N 3.3Å; M159-A161 PolarHBondContact O-N 3.14Å; A161-A163 VanDerWaalsContact C-N 3.3Å; A161-A163 PolarHBondContact O-N 3.1Å; A161-Y201 PolarHBondContact N-OH 2.78Å; A161-Y201 PolarHBondContact O-OH 3.03Å; A161-F203 HydrophobicContact CB-CE2 4.22Å; A161-F203 WeakPolarHBondContact O-CD2 3.49Å; A161-F203 WeakPolarHBondContact O-CE2 3.43Å
162	R	98.2	Very high	98.4	Very high	153 Å²	153	23.2 Å²	23.2	58%	0.577	11%	0.108	S	C	*	.	S	Bend	trans	-64.8	-35.4	175.8	179	178.5	177	-126.7	-1.1	112.4	P120 K121 Y122	P120-R162 HydrophobicContact CB-CB 4.1Å; K121-R162 PolarHBondContact O-N 3.12Å; Y122-R162 HydrophobicContact CE1-CB 4.39Å
163	A	98.6	Very high	98.4	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.9	-179.2	0	0	0	0	0	111.4	Y122 L123 A161 D204 F206	Y122-A163 HydrophobicContact CD1-CB 4.13Å; Y122-A163 HydrophobicContact CE1-CB 4.2Å; L123-A163 PolarHBondContact N-O 3.47Å; A161-A163 VanDerWaalsContact C-N 3.3Å; A161-A163 PolarHBondContact O-N 3.1Å; A163-D204 CarbonylContact C-O 3.59Å; A163-D204 WeakPolarHBondContact CA-O 3.42Å; A163-D204 HydrophobicContact CB-CB 4.25Å; A163-D204 WeakPolarHBondContact CB-O 3.26Å; A163-F206 HydrophobicContact CB-CD2 4Å; A163-F206 HydrophobicContact CB-CE2 3.69Å
164	A	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.8	164.6	0	0	0	0	0	111	L123 C152 F203 D204 V205 F206	L123-A164 HydrophobicContact CB-CB 4.32Å; L123-A164 HydrophobicContact CD2-CB 4.11Å; L123-A164 HydrophobicContact CG-CB 4.26Å; L123-A164 CarbonylContact O-C 3.57Å; L123-A164 VanDerWaalsContact O-CA 3.26Å; L123-A164 WeakPolarHBondContact O-CA 3.41Å; C152-A164 HydrophobicContact CB-CB 3.82Å; A164-F203 HydrophobicContact CB-CE1 4.03Å; A164-F203 HydrophobicContact CB-CZ 3.63Å; A164-D204 PolarHBondContact N-O 3.28Å; A164-V205 HydrophobicContact CB-CG1 4.45Å; A164-V205 HydrophobicContact CB-CG2 4.41Å; A164-V205 WeakPolarHBondContact O-CA 3.47Å; A164-F206 PolarHBondContact O-N 3.03Å
165	Y	98.9	Very high	98.4	Very high	40 Å²	40	35.4 Å²	35.4	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.6	163.7	-66.5	-90.5	0	0	0	109	Y122 L123 V124 V125 F206 L226 F246	Y122-Y165 HydrophobicContact CD1-CD2 4.2Å; Y122-Y165 AromaticContact CD1-CE2 3.6Å; Y122-Y165 HydrophobicContact CD1-CE2 3.6Å; Y122-Y165 AromaticContact CE1-CE2 3.84Å; Y122-Y165 HydrophobicContact CE1-CE2 3.84Å; Y122-Y165 HydrophobicContact CG-CD2 4.47Å; Y122-Y165 HydrophobicContact CG-CE2 4.09Å; L123-Y165 PolarHBondContact O-N 3.3Å; V124-Y165 CarbonylContact C-O 3.44Å; V124-Y165 WeakPolarHBondContact CA-O 3.34Å; V125-Y165 PolarHBondContact N-O 3.18Å; Y165-F206 CarbonylContact C-O 3.54Å; Y165-F206 WeakPolarHBondContact CA-O 3.15Å; Y165-F206 HydrophobicContact CD1-CB 3.6Å; Y165-F206 HydrophobicContact CD1-CD2 4.12Å; Y165-F206 HydrophobicContact CD1-CG 4.16Å; Y165-F206 HydrophobicContact CE1-CB 3.81Å; Y165-F206 AromaticContact CE1-CD2 3.69Å; Y165-F206 HydrophobicContact CE1-CD2 3.69Å; Y165-F206 AromaticContact CE1-CG 3.88Å; Y165-F206 HydrophobicContact CE1-CG 3.88Å; Y165-F206 HydrophobicContact CE2-CD2 4.44Å; Y165-F206 HydrophobicContact CG-CB 4.4Å; Y165-F206 AromaticContact CZ-CD2 3.87Å; Y165-L226 HydrophobicContact CD1-CD1 4.45Å; Y165-L226 HydrophobicContact CD1-CD2 4.33Å; Y165-L226 HydrophobicContact CG-CD1 4.06Å; Y165-F246 HydrophobicContact CE2-CE2 4.23Å; Y165-F246 AromaticContact CZ-CE2 3.98Å
166	I	98.9	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.8	173.3	-54.4	174.7	0	0	0	107.2	V125 A127 L148 I168 L179 V205 F206 V207 M208	V125-I166 HydrophobicContact CB-CB 4.38Å; V125-I166 HydrophobicContact CB-CG1 4.07Å; V125-I166 HydrophobicContact CB-CG2 4.3Å; V125-I166 HydrophobicContact CG1-CG2 4.42Å; V125-I166 HydrophobicContact CG2-CG1 4.14Å; A127-I166 HydrophobicContact CB-CG2 3.94Å; L148-I166 HydrophobicContact CD2-CD1 4.24Å; L148-I166 HydrophobicContact CD2-CG2 4.5Å; L148-I166 HydrophobicContact CG-CD1 4.47Å; I166-I168 PolarHBondContact O-N 3.23Å; I166-L179 HydrophobicContact CB-CD2 4.41Å; I166-L179 HydrophobicContact CD1-CD1 4.45Å; I166-L179 HydrophobicContact CD1-CD2 3.9Å; I166-L179 HydrophobicContact CG2-CD2 3.89Å; I166-V205 HydrophobicContact CD1-CG1 3.67Å; I166-V205 HydrophobicContact CG1-CG1 4.15Å; I166-F206 PolarHBondContact N-O 3.36Å; I166-V207 WeakPolarHBondContact O-CA 3.38Å; I166-M208 PolarHBondContact O-N 3.42Å
167	Y	98.8	Very high	98.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	101.7	176	-176.2	-83.8	0	0	0	108.5	V125 A127 D128 M208 G210 C216 L222 S225 L226	V125-Y167 PolarHBondContact O-N 2.79Å; A127-Y167 CarbonylContact C-O 3.52Å; A127-Y167 WeakPolarHBondContact CA-O 3.28Å; A127-Y167 VanDerWaalsContact CB-O 3.26Å; A127-Y167 WeakPolarHBondContact CB-O 3.41Å; A127-Y167 PolarHBondContact N-O 3.46Å; D128-Y167 HydrophobicContact CB-CD1 4.21Å; D128-Y167 HydrophobicContact CB-CE1 4.2Å; D128-Y167 PolarHBondContact N-O 3.1Å; Y167-M208 CarbonylContact C-O 3.59Å; Y167-M208 WeakPolarHBondContact CA-O 3.44Å; Y167-M208 HydrophobicContact CD2-CB 4.45Å; Y167-M208 HydrophobicContact CD2-CG 4.24Å; Y167-G210 WeakPolarHBondContact OH-CA 3.39Å; Y167-C216 HydrophobicContact CE1-CB 4.12Å; Y167-C216 WeakPolarHBondContact OH-CB 3.49Å; Y167-L222 HydrophobicContact CD1-CD1 3.81Å; Y167-L222 HydrophobicContact CD1-CD2 4.32Å; Y167-L222 HydrophobicContact CD1-CG 3.7Å; Y167-L222 HydrophobicContact CD2-CD2 4.13Å; Y167-L222 HydrophobicContact CD2-CG 4.17Å; Y167-L222 HydrophobicContact CE1-CG 4.28Å; Y167-L222 HydrophobicContact CG-CD1 4.04Å; Y167-L222 HydrophobicContact CG-CD2 3.76Å; Y167-L222 HydrophobicContact CG-CG 3.64Å; Y167-S225 PolarHBondContact OH-OG 2.88Å; Y167-S225 VanDerWaalsContact OH-OG 3.08Å; Y167-L226 HydrophobicContact CD2-CB 4.39Å
168	I	98.5	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.2	-176.7	-160.8	177.9	0	0	0	111.1	A127 L141 I166 G170 F172 E175 V207 M208 R209 G210	A127-I168 HydrophobicContact CB-CB 4.31Å; A127-I168 HydrophobicContact CB-CG1 4.25Å; A127-I168 WeakPolarHBondContact O-CA 3.35Å; L141-I168 HydrophobicContact CD1-CD1 3.95Å; L141-I168 HydrophobicContact CD1-CG1 4.04Å; L141-I168 HydrophobicContact CD2-CD1 4.17Å; I166-I168 PolarHBondContact O-N 3.23Å; I168-G170 PolarHBondContact O-N 2.93Å; I168-F172 HydrophobicContact CD1-CB 4.04Å; I168-F172 HydrophobicContact CG1-CB 4.09Å; I168-F172 HydrophobicContact CG1-CD2 4.4Å; I168-E175 HydrophobicContact CD1-CB 4.31Å; I168-V207 HydrophobicContact CG2-CG1 4Å; I168-M208 PolarHBondContact N-O 2.89Å; I168-R209 HydrophobicContact CG2-CB 4.31Å; I168-R209 HydrophobicContact CG2-CG 3.59Å; I168-R209 CarbonylContact O-C 3.51Å; I168-R209 WeakPolarHBondContact O-CA 3.29Å; I168-G210 PolarHBondContact O-N 3.41Å
169	R	98	Very high	98.3	Very high	62 Å²	62	37.4 Å²	37.4	23%	0.234	18%	0.183	C	C	.	.			trans	-48.4	140.4	173.6	-152.8	-176.6	169.1	150.9	-3.9	111.8	A127 D128 E129 E171 F172	A127-R169 PolarHBondContact O-N 3.19Å; D128-R169 WeakPolarHBondContact O-CB 3.18Å; D128-R169 WeakPolarHBondContact O-CD 3.25Å; D128-R169 WeakPolarHBondContact O-CG 3.45Å; E129-R169 PolarHBondContact O-NH1 3.11Å; R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 WeakPolarHBondContact CG-OE2 3.32Å; R169-E171 IonicContact CZ-OE1 3.79Å; R169-E171 VanDerWaalsContact NE-CD 3.28Å; R169-E171 IonicContact NE-OE1 3.1Å; R169-E171 PolarHBondContact NE-OE1 3.01Å; R169-E171 IonicContact NE-OE2 3.63Å; R169-E171 PolarHBondContact NE-OE2 2.59Å; R169-E171 IonicContact NH2-OE1 3.46Å; R169-E171 PolarHBondContact NH2-OE1 2.83Å; R169-E171 PolarHBondContact O-N 2.66Å; R169-F172 HydrophobicContact CB-CB 4.06Å; R169-F172 HydrophobicContact CB-CD1 4.35Å; R169-F172 HydrophobicContact CB-CD2 3.58Å; R169-F172 HydrophobicContact CB-CE2 4.05Å; R169-F172 HydrophobicContact CB-CG 3.75Å; R169-F172 PolarHBondContact O-N 2.83Å
170	G	97.8	Very high	98.3	Very high	9 Å²	9	40.8 Å²	40.8	9%	0.093	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-40.9	177.3	0	0	0	0	0	112.7	I168 F172 R209 G210	I168-G170 PolarHBondContact O-N 2.93Å; G170-F172 PolarHBondContact O-N 3.05Å; G170-R209 PolarHBondContact O-NH2 2.85Å; G170-G210 WeakPolarHBondContact CA-O 3.46Å
171	E	98.4	Very high	98.4	Very high	98 Å²	98	41.8 Å²	41.8	46%	0.458	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.3	-176.7	-61.9	94.1	118	0	0	112.9	R169 Y173 G212	R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 WeakPolarHBondContact CG-OE2 3.32Å; R169-E171 IonicContact CZ-OE1 3.79Å; R169-E171 VanDerWaalsContact NE-CD 3.28Å; R169-E171 IonicContact NE-OE1 3.1Å; R169-E171 PolarHBondContact NE-OE1 3.01Å; R169-E171 IonicContact NE-OE2 3.63Å; R169-E171 PolarHBondContact NE-OE2 2.59Å; R169-E171 IonicContact NH2-OE1 3.46Å; R169-E171 PolarHBondContact NH2-OE1 2.83Å; R169-E171 PolarHBondContact O-N 2.66Å; E171-Y173 PolarHBondContact O-N 3.18Å; E171-G212 VanDerWaalsContact OE2-CA 3.32Å; E171-G212 WeakPolarHBondContact OE2-CA 3.39Å; E171-G212 PolarHBondContact OE2-N 3.33Å
172	F	98.4	Very high	98.4	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.096	20%	0.198	C	C	.	.			trans	-83	52.5	179.3	-70.7	-4.4	0	0	0	112	E129 R138 L141 I168 R169 G170 E175 S176	E129-F172 HydrophobicContact CB-CE2 4.07Å; E129-F172 HydrophobicContact CB-CZ 4.45Å; R138-F172 HydrophobicContact CB-CE1 4.47Å; R138-F172 HydrophobicContact CB-CE2 3.92Å; R138-F172 HydrophobicContact CB-CZ 3.83Å; R138-F172 HydrophobicContact CG-CE1 4.23Å; R138-F172 HydrophobicContact CG-CE2 4.34Å; R138-F172 HydrophobicContact CG-CZ 4.08Å; L141-F172 HydrophobicContact CD1-CD2 4.15Å; I168-F172 HydrophobicContact CD1-CB 4.04Å; I168-F172 HydrophobicContact CG1-CB 4.09Å; I168-F172 HydrophobicContact CG1-CD2 4.4Å; R169-F172 HydrophobicContact CB-CB 4.06Å; R169-F172 HydrophobicContact CB-CD1 4.35Å; R169-F172 HydrophobicContact CB-CD2 3.58Å; R169-F172 HydrophobicContact CB-CE2 4.05Å; R169-F172 HydrophobicContact CB-CG 3.75Å; R169-F172 PolarHBondContact O-N 2.83Å; G170-F172 PolarHBondContact O-N 3.05Å; F172-E175 WeakPolarHBondContact CA-OE2 3.06Å; F172-E175 HydrophobicContact CB-CB 4.12Å; F172-S176 WeakPolarHBondContact O-CB 3.37Å; F172-S176 PolarHBondContact O-N 3.47Å; F172-S176 PolarHBondContact O-OG 3.23Å
173	Y	98.4	Very high	98.5	Very high	138 Å²	138	34.5 Å²	34.5	54%	0.541	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-49.5	-178.3	-179.2	-103	0	0	0	112	E171 E175 S176 S177	E171-Y173 PolarHBondContact O-N 3.18Å; Y173-E175 VanDerWaalsContact C-N 3.33Å; Y173-E175 PolarHBondContact O-N 3.46Å; Y173-S176 WeakPolarHBondContact CA-OG 3.19Å; Y173-S176 PolarHBondContact O-N 3.1Å; Y173-S176 PolarHBondContact O-OG 2.98Å; Y173-S177 WeakPolarHBondContact O-CB 3.08Å; Y173-S177 PolarHBondContact O-N 3.26Å
174	N	98.6	Very high	98.5	Very high	108 Å²	108	38.5 Å²	38.5	58%	0.578	19%	0.191	S	C	*	.	H	α-helix	trans	-64.5	-41.2	-178.9	-69.6	-32.3	0	0	0	111.5	S177 N178	N174-S177 PolarHBondContact O-N 2.88Å; N174-N178 WeakPolarHBondContact O-CB 3.45Å; N174-N178 PolarHBondContact O-N 3.22Å
175	E	98.5	Very high	98.5	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-38.9	177	-62.6	81.1	-178.7	0	0	111.3	R138 L141 R142 I168 F172 Y173 N178 L179	R138-E175 HydrophobicContact CG-CG 4.13Å; R138-E175 IonicContact CZ-OE1 3.82Å; R138-E175 VanDerWaalsContact CZ-OE1 3.23Å; R138-E175 IonicContact NE-OE1 2.86Å; R138-E175 PolarHBondContact NE-OE1 3.1Å; R138-E175 IonicContact NH2-OE1 3.83Å; R138-E175 PolarHBondContact NH2-OE1 3.14Å; L141-E175 HydrophobicContact CB-CB 4.04Å; R142-E175 HydrophobicContact CB-CG 3.82Å; R142-E175 HydrophobicContact CG-CG 4.2Å; I168-E175 HydrophobicContact CD1-CB 4.31Å; F172-E175 WeakPolarHBondContact CA-OE2 3.06Å; F172-E175 HydrophobicContact CB-CB 4.12Å; Y173-E175 VanDerWaalsContact C-N 3.33Å; Y173-E175 PolarHBondContact O-N 3.46Å; E175-N178 PolarHBondContact O-N 3.13Å; E175-L179 WeakPolarHBondContact O-CB 2.97Å; E175-L179 PolarHBondContact O-N 2.86Å
176	S	98	Very high	98.5	Very high	9 Å²	9	39 Å²	39	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-42.3	172.1	68.7	0	0	0	0	112.4	F172 Y173 L179 Q180	F172-S176 WeakPolarHBondContact O-CB 3.37Å; F172-S176 PolarHBondContact O-N 3.47Å; F172-S176 PolarHBondContact O-OG 3.23Å; Y173-S176 WeakPolarHBondContact CA-OG 3.19Å; Y173-S176 PolarHBondContact O-N 3.1Å; Y173-S176 PolarHBondContact O-OG 2.98Å; S176-L179 PolarHBondContact O-N 3.07Å; S176-Q180 WeakPolarHBondContact O-CB 3.38Å; S176-Q180 PolarHBondContact O-N 3.33Å
177	S	98.1	Very high	98.5	Very high	54 Å²	54	42.5 Å²	42.5	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-44.7	177.1	-176.1	0	0	0	0	111.2	Y173 N174 Q180 V181	Y173-S177 WeakPolarHBondContact O-CB 3.08Å; Y173-S177 PolarHBondContact O-N 3.26Å; N174-S177 PolarHBondContact O-N 2.88Å; S177-Q180 PolarHBondContact O-N 2.7Å; S177-V181 WeakPolarHBondContact O-CG2 3.45Å; S177-V181 PolarHBondContact O-N 3.05Å
178	N	97.5	Very high	98.5	Very high	39 Å²	39	51.4 Å²	51.4	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-44.8	176	-76.4	1.5	0	0	0	111.6	W61 N174 E175 Q180 V181 A182	W61-N178 HydrophobicContact CH2-CB 3.95Å; W61-N178 HydrophobicContact CZ2-CB 4.26Å; W61-N178 HydrophobicContact CZ3-CB 4.18Å; W61-N178 WeakPolarHBondContact CZ3-O 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.45Å; N174-N178 PolarHBondContact O-N 3.22Å; E175-N178 PolarHBondContact O-N 3.13Å; N178-Q180 VanDerWaalsContact C-N 3.32Å; N178-Q180 PolarHBondContact O-N 3.24Å; N178-V181 WeakPolarHBondContact O-CB 3.48Å; N178-V181 PolarHBondContact O-N 3.4Å; N178-A182 PolarHBondContact O-N 3.42Å
179	L	98.6	Very high	98.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-42.3	176.2	179.9	64.4	0	0	0	111.3	L141 P145 L148 I149 I166 E175 S176 V181 A182 I183 V207	L141-L179 HydrophobicContact CD2-CD2 3.93Å; P145-L179 HydrophobicContact CB-CD1 3.79Å; L148-L179 HydrophobicContact CD2-CD1 4.45Å; I149-L179 HydrophobicContact CD1-CD1 4.08Å; I149-L179 HydrophobicContact CG1-CD1 3.96Å; I166-L179 HydrophobicContact CB-CD2 4.41Å; I166-L179 HydrophobicContact CD1-CD1 4.45Å; I166-L179 HydrophobicContact CD1-CD2 3.9Å; I166-L179 HydrophobicContact CG2-CD2 3.89Å; E175-L179 WeakPolarHBondContact O-CB 2.97Å; E175-L179 PolarHBondContact O-N 2.86Å; S176-L179 PolarHBondContact O-N 3.07Å; L179-V181 VanDerWaalsContact C-N 3.33Å; L179-V181 PolarHBondContact O-N 3.22Å; L179-A182 PolarHBondContact O-N 2.92Å; L179-I183 HydrophobicContact CD1-CD1 4.37Å; L179-I183 HydrophobicContact CD1-CG1 4.47Å; L179-I183 HydrophobicContact CG-CD1 3.95Å; L179-I183 HydrophobicContact CG-CG1 4.47Å; L179-I183 WeakPolarHBondContact O-CB 3.48Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.38Å; L179-I183 PolarHBondContact O-N 3.22Å; L179-V207 HydrophobicContact CD2-CG2 4.02Å; L179-V207 HydrophobicContact CG-CG2 4.35Å
180	Q	98.6	Very high	98.5	Very high	74 Å²	74	60.2 Å²	60.2	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-38.5	177.3	-171.6	60.3	59.8	0	0	112	S176 S177 N178 I183 N184	S176-Q180 WeakPolarHBondContact O-CB 3.38Å; S176-Q180 PolarHBondContact O-N 3.33Å; S177-Q180 PolarHBondContact O-N 2.7Å; N178-Q180 VanDerWaalsContact C-N 3.32Å; N178-Q180 PolarHBondContact O-N 3.24Å; Q180-I183 PolarHBondContact O-N 2.62Å; Q180-N184 PolarHBondContact NE2-OD1 2.8Å; Q180-N184 WeakPolarHBondContact O-CB 3.34Å; Q180-N184 PolarHBondContact O-N 2.76Å; Q180-N184 PolarHBondContact O-ND2 2.99Å; Q180-N184 PolarHBondContact O-OD1 3.19Å
181	V	98.8	Very high	98.5	Very high	56 Å²	56	61.1 Å²	61.1	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-47.1	172.6	171.1	0	0	0	0	110.8	W61 S177 N178 L179 I183 N184 E185	W61-V181 HydrophobicContact CH2-CB 3.98Å; W61-V181 HydrophobicContact CH2-CG1 3.85Å; W61-V181 HydrophobicContact CZ3-CB 4.35Å; W61-V181 HydrophobicContact CZ3-CG1 4.23Å; S177-V181 WeakPolarHBondContact O-CG2 3.45Å; S177-V181 PolarHBondContact O-N 3.05Å; N178-V181 WeakPolarHBondContact O-CB 3.48Å; N178-V181 PolarHBondContact O-N 3.4Å; L179-V181 VanDerWaalsContact C-N 3.33Å; L179-V181 PolarHBondContact O-N 3.22Å; V181-I183 VanDerWaalsContact C-N 3.34Å; V181-I183 PolarHBondContact O-N 2.85Å; V181-N184 WeakPolarHBondContact O-CB 3.38Å; V181-N184 PolarHBondContact O-N 3.08Å; V181-E185 WeakPolarHBondContact O-CG 3.49Å; V181-E185 PolarHBondContact O-N 2.97Å
182	A	98.8	Very high	98.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-36.8	177.7	0	0	0	0	0	112.8	W61 P145 H146 I149 N178 L179 E185 A186	W61-A182 HydrophobicContact CZ3-CB 4.33Å; P145-A182 HydrophobicContact CB-CB 3.79Å; P145-A182 HydrophobicContact CG-CB 3.71Å; H146-A182 PolarHBondContact CE1-O 3.29Å; H146-A182 VanDerWaalsContact CE1-O 3.25Å; I149-A182 HydrophobicContact CD1-CB 3.67Å; N178-A182 PolarHBondContact O-N 3.42Å; L179-A182 PolarHBondContact O-N 2.92Å; A182-E185 PolarHBondContact O-N 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.84Å
183	I	98.9	Very high	98.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-46.5	172.7	-73.9	169.4	0	0	0	110.2	I149 L179 Q180 V181 E185 A186 Y187 I192 V205 V207	I149-I183 HydrophobicContact CD1-CB 4.44Å; I149-I183 HydrophobicContact CD1-CG1 3.64Å; I149-I183 HydrophobicContact CG1-CG1 3.91Å; L179-I183 HydrophobicContact CD1-CD1 4.37Å; L179-I183 HydrophobicContact CD1-CG1 4.47Å; L179-I183 HydrophobicContact CG-CD1 3.95Å; L179-I183 HydrophobicContact CG-CG1 4.47Å; L179-I183 WeakPolarHBondContact O-CB 3.48Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.38Å; L179-I183 PolarHBondContact O-N 3.22Å; Q180-I183 PolarHBondContact O-N 2.62Å; V181-I183 VanDerWaalsContact C-N 3.34Å; V181-I183 PolarHBondContact O-N 2.85Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 3.36Å; I183-A186 WeakPolarHBondContact O-CB 3.39Å; I183-A186 PolarHBondContact O-N 2.91Å; I183-A186 VanDerWaalsContact O-N 3.12Å; I183-Y187 HydrophobicContact CG2-CD2 3.6Å; I183-Y187 HydrophobicContact CG2-CE2 3.54Å; I183-Y187 VanDerWaalsContact O-CD2 3.32Å; I183-Y187 WeakPolarHBondContact O-CD2 3.46Å; I183-Y187 PolarHBondContact O-N 3.5Å; I183-I192 HydrophobicContact CG2-CD1 4.14Å; I183-V205 HydrophobicContact CD1-CG1 3.88Å; I183-V205 HydrophobicContact CG1-CG1 4.3Å; I183-V207 HydrophobicContact CD1-CG2 3.29Å
184	N	98.9	Very high	98.6	Very high	88 Å²	88	57.7 Å²	57.7	47%	0.471	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-40	177.3	-65.7	-13.6	0	0	0	111.7	Q180 V181 Y187 K188	Q180-N184 PolarHBondContact NE2-OD1 2.8Å; Q180-N184 WeakPolarHBondContact O-CB 3.34Å; Q180-N184 PolarHBondContact O-N 2.76Å; Q180-N184 PolarHBondContact O-ND2 2.99Å; Q180-N184 PolarHBondContact O-OD1 3.19Å; V181-N184 WeakPolarHBondContact O-CB 3.38Å; V181-N184 PolarHBondContact O-N 3.08Å; N184-Y187 PolarHBondContact O-N 2.86Å; N184-K188 WeakPolarHBondContact O-CB 3.4Å; N184-K188 PolarHBondContact O-N 3.45Å
185	E	98.9	Very high	98.5	Very high	50 Å²	50	56 Å²	56	23%	0.234	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-43.3	172.9	-71.6	-176.2	167.3	0	0	111.7	R62 L63 H146 V181 A182 I183 K188 A189	R62-E185 WeakPolarHBondContact CB-OE2 3.39Å; L63-E185 HydrophobicContact CB-CB 4.22Å; L63-E185 VanDerWaalsContact CB-OE2 3.27Å; L63-E185 WeakPolarHBondContact CB-OE2 3.35Å; L63-E185 HydrophobicContact CD2-CB 4.47Å; L63-E185 PolarHBondContact N-OE2 2.67Å; H146-E185 IonicContact CE1-OE2 2.71Å; H146-E185 IonicContact NE2-OE2 3.67Å; H146-E185 PolarHBondContact NE2-OE2 2.91Å; V181-E185 WeakPolarHBondContact O-CG 3.49Å; V181-E185 PolarHBondContact O-N 2.97Å; A182-E185 PolarHBondContact O-N 3.3Å; I183-E185 VanDerWaalsContact C-N 3.31Å; I183-E185 PolarHBondContact O-N 3.36Å; E185-K188 PolarHBondContact O-N 3.26Å; E185-A189 WeakPolarHBondContact O-CB 3.18Å; E185-A189 PolarHBondContact O-N 3.48Å
186	A	98.9	Very high	98.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-40.9	178.1	0	0	0	0	0	112.6	W72 I149 A182 I183 A189 R190 L191 I192	W72-A186 HydrophobicContact CZ2-CB 4.34Å; I149-A186 HydrophobicContact CG2-CB 4.24Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.84Å; I183-A186 WeakPolarHBondContact O-CB 3.39Å; I183-A186 PolarHBondContact O-N 2.91Å; I183-A186 VanDerWaalsContact O-N 3.12Å; A186-A189 PolarHBondContact O-N 3.22Å; A186-R190 PolarHBondContact O-N 2.68Å; A186-R190 VanDerWaalsContact O-N 3.16Å; A186-L191 HydrophobicContact CB-CB 4.25Å; A186-L191 PolarHBondContact O-N 3.34Å; A186-I192 HydrophobicContact CB-CD1 3.86Å; A186-I192 HydrophobicContact CB-CG1 3.83Å
187	Y	98.8	Very high	98.5	Very high	73 Å²	73	56.2 Å²	56.2	29%	0.286	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-47	172	-87.3	-72.1	0	0	0	111.7	I183 N184 A189 R190 I192 G193 D204 V205	I183-Y187 HydrophobicContact CG2-CD2 3.6Å; I183-Y187 HydrophobicContact CG2-CE2 3.54Å; I183-Y187 VanDerWaalsContact O-CD2 3.32Å; I183-Y187 WeakPolarHBondContact O-CD2 3.46Å; I183-Y187 PolarHBondContact O-N 3.5Å; N184-Y187 PolarHBondContact O-N 2.86Å; Y187-A189 VanDerWaalsContact C-N 3.26Å; Y187-A189 PolarHBondContact O-N 3.24Å; Y187-R190 PolarHBondContact O-N 3.33Å; Y187-I192 HydrophobicContact CD1-CG1 4.06Å; Y187-I192 HydrophobicContact CD2-CD1 3.59Å; Y187-I192 HydrophobicContact CD2-CG1 3.93Å; Y187-I192 HydrophobicContact CE1-CD1 4.49Å; Y187-I192 HydrophobicContact CE1-CG1 4.2Å; Y187-I192 HydrophobicContact CE2-CD1 3.5Å; Y187-I192 VanDerWaalsContact CE2-CD1 3.5Å; Y187-I192 HydrophobicContact CE2-CG1 4.06Å; Y187-I192 HydrophobicContact CG-CD1 4.12Å; Y187-I192 HydrophobicContact CG-CG1 3.92Å; Y187-G193 VanDerWaalsContact CE1-CA 3.49Å; Y187-D204 WeakPolarHBondContact CE1-OD1 3.45Å; Y187-D204 VanDerWaalsContact OH-CA 3.3Å; Y187-D204 WeakPolarHBondContact OH-CA 3.34Å; Y187-D204 WeakPolarHBondContact OH-CB 3.25Å; Y187-D204 PolarHBondContact OH-OD1 3.39Å; Y187-V205 PolarHBondContact OH-N 3.42Å; Y187-V205 VanDerWaalsContact OH-N 3.12Å
188	K	98.8	Very high	98.5	Very high	189 Å²	189	55.2 Å²	55.2	82%	0.822	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-37	178.9	-172.9	177.6	-179.5	176.8	0	112	N184 E185 R190	N184-K188 WeakPolarHBondContact O-CB 3.4Å; N184-K188 PolarHBondContact O-N 3.45Å; E185-K188 PolarHBondContact O-N 3.26Å; K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.44Å
189	A	98.6	Very high	98.5	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.9	176	0	0	0	0	0	114	L63 E185 A186 Y187 L191	L63-A189 HydrophobicContact CD2-CB 3.73Å; E185-A189 WeakPolarHBondContact O-CB 3.18Å; E185-A189 PolarHBondContact O-N 3.48Å; A186-A189 PolarHBondContact O-N 3.22Å; Y187-A189 VanDerWaalsContact C-N 3.26Å; Y187-A189 PolarHBondContact O-N 3.24Å; A189-L191 HydrophobicContact CB-CD1 3.9Å; A189-L191 HydrophobicContact CB-CG 3.85Å; A189-L191 PolarHBondContact O-N 3.41Å
190	R	98.4	Very high	98.5	Very high	197 Å²	197	57.3 Å²	57.3	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	31.5	-175.9	-55.7	-177.4	179.3	172.9	-0.6	113.7	A186 Y187 K188 C197	A186-R190 PolarHBondContact O-N 2.68Å; A186-R190 VanDerWaalsContact O-N 3.16Å; Y187-R190 PolarHBondContact O-N 3.33Å; K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.44Å; R190-C197 PolarHBondContact O-N 2.87Å
191	L	98.8	Very high	98.5	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-80	-28.7	174.8	-62.2	172.7	0	0	0	111.4	L63 W72 A186 A189 A196 C197	L63-L191 HydrophobicContact CD1-CD1 3.68Å; L63-L191 HydrophobicContact CD2-CD1 4.19Å; W72-L191 HydrophobicContact CB-CD1 4.48Å; W72-L191 HydrophobicContact CB-CD2 4.5Å; W72-L191 HydrophobicContact CD2-CB 4.23Å; W72-L191 HydrophobicContact CD2-CD1 3.74Å; W72-L191 HydrophobicContact CD2-CD2 4.28Å; W72-L191 HydrophobicContact CD2-CG 4.3Å; W72-L191 HydrophobicContact CE3-CB 3.91Å; W72-L191 HydrophobicContact CE3-CD1 4.22Å; W72-L191 HydrophobicContact CE3-CD2 4.06Å; W72-L191 HydrophobicContact CE3-CG 4.28Å; W72-L191 HydrophobicContact CG-CD1 3.84Å; W72-L191 HydrophobicContact CG-CD2 4.47Å; W72-L191 HydrophobicContact CH2-CB 3.96Å; W72-L191 HydrophobicContact CZ2-CB 4.28Å; W72-L191 HydrophobicContact CZ2-CD1 4.46Å; W72-L191 HydrophobicContact CZ3-CB 3.77Å; A186-L191 HydrophobicContact CB-CB 4.25Å; A186-L191 PolarHBondContact O-N 3.34Å; A189-L191 HydrophobicContact CB-CD1 3.9Å; A189-L191 HydrophobicContact CB-CG 3.85Å; A189-L191 PolarHBondContact O-N 3.41Å; L191-A196 WeakPolarHBondContact O-CB 3.46Å; L191-C197 PolarHBondContact O-N 2.98Å; L191-C197 PolarHBondContact O-SG 3.09Å
192	I	98.8	Very high	98.5	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	30%	0.298	C	S	.	.	S	Bend	trans	-131.8	174.9	172.5	59.2	175	0	0	0	109.9	W72 I149 I183 A186 Y187 V205	W72-I192 HydrophobicContact CH2-CG2 3.86Å; I149-I192 HydrophobicContact CG2-CD1 4.06Å; I149-I192 HydrophobicContact CG2-CG2 4.03Å; I183-I192 HydrophobicContact CG2-CD1 4.14Å; A186-I192 HydrophobicContact CB-CD1 3.86Å; A186-I192 HydrophobicContact CB-CG1 3.83Å; Y187-I192 HydrophobicContact CD1-CG1 4.06Å; Y187-I192 HydrophobicContact CD2-CD1 3.59Å; Y187-I192 HydrophobicContact CD2-CG1 3.93Å; Y187-I192 HydrophobicContact CE1-CD1 4.49Å; Y187-I192 HydrophobicContact CE1-CG1 4.2Å; Y187-I192 HydrophobicContact CE2-CD1 3.5Å; Y187-I192 VanDerWaalsContact CE2-CD1 3.5Å; Y187-I192 HydrophobicContact CE2-CG1 4.06Å; Y187-I192 HydrophobicContact CG-CD1 4.12Å; Y187-I192 HydrophobicContact CG-CG1 3.92Å; I192-V205 HydrophobicContact CD1-CB 4.08Å; I192-V205 HydrophobicContact CD1-CG2 3.93Å; I192-V205 HydrophobicContact CG2-CG2 4.29Å
193	G	98.5	Very high	98.5	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.031	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	89.6	-146.7	-174.1	0	0	0	0	0	112.1	Y187 N195 F203	Y187-G193 VanDerWaalsContact CE1-CA 3.49Å; G193-N195 PolarHBondContact O-N 2.89Å; G193-F203 WeakPolarHBondContact CA-O 3.19Å; G193-F203 PolarHBondContact N-O 3.21Å; G193-F203 PolarHBondContact O-N 3.28Å
194	K	98.2	Very high	98.5	Very high	179 Å²	179	59.8 Å²	59.8	78%	0.778	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	129.1	176.9	-168.7	175.2	-174	174.4	0	110.4	D202	K194-D202 VanDerWaalsContact CA-OD1 3.32Å; K194-D202 WeakPolarHBondContact CA-OD1 3.39Å; K194-D202 WeakPolarHBondContact CG-OD1 3.45Å
195	N	97.9	Very high	98.5	Very high	74 Å²	74	55.8 Å²	55.8	40%	0.396	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	54.2	-178.6	-171	12.4	0	0	0	112.2	G193 C197 G198 S199 G200 Y201 D202	G193-N195 PolarHBondContact O-N 2.89Å; N195-C197 PolarHBondContact O-N 2.77Å; N195-G198 WeakPolarHBondContact O-CA 3.36Å; N195-G198 PolarHBondContact O-N 3.24Å; N195-G198 VanDerWaalsContact OD1-CA 3.22Å; N195-G198 WeakPolarHBondContact OD1-CA 3.47Å; N195-S199 PolarHBondContact OD1-N 3.44Å; N195-G200 WeakPolarHBondContact OD1-CA 3.35Å; N195-G200 PolarHBondContact OD1-N 2.87Å; N195-Y201 CarbonylContact C-O 3.56Å; N195-D202 PolarHBondContact N-OD1 3.09Å
196	A	98.4	Very high	98.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-50	128.1	-178.8	0	0	0	0	0	111.6	L153 L191 G198 S199 Y201 F203	L153-A196 HydrophobicContact CD1-CB 3.73Å; L153-A196 HydrophobicContact CD2-CB 4.18Å; L191-A196 WeakPolarHBondContact O-CB 3.46Å; A196-G198 PolarHBondContact O-N 2.81Å; A196-S199 WeakPolarHBondContact O-CB 3.35Å; A196-S199 PolarHBondContact O-N 3.04Å; A196-S199 VanDerWaalsContact O-N 3.08Å; A196-S199 PolarHBondContact O-OG 2.78Å; A196-Y201 VanDerWaalsContact CB-O 3.32Å; A196-Y201 WeakPolarHBondContact CB-O 3.42Å; A196-Y201 PolarHBondContact N-O 2.9Å; A196-F203 HydrophobicContact CB-CB 4.37Å
197	C	97.7	Very high	98.4	Very high	22 Å²	22	59.4 Å²	59.4	15%	0.149	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	53.6	19.3	-174.9	-68	0	0	0	0	114.4	K76 R190 L191 N195 S199	K76-C197 HydrophobicContact CB-CB 4.2Å; K76-C197 WeakPolarHBondContact CD-O 3.43Å; K76-C197 WeakPolarHBondContact CG-O 3.41Å; R190-C197 PolarHBondContact O-N 2.87Å; L191-C197 PolarHBondContact O-N 2.98Å; L191-C197 PolarHBondContact O-SG 3.09Å; N195-C197 PolarHBondContact O-N 2.77Å; C197-S199 VanDerWaalsContact C-N 3.3Å; C197-S199 PolarHBondContact O-N 2.93Å
198	G	97.9	Very high	98.3	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	65	29.3	-175.7	0	0	0	0	0	114	K76 N195 A196	K76-G198 WeakPolarHBondContact CE-O 3.4Å; K76-G198 PolarHBondContact NZ-O 3.35Å; N195-G198 WeakPolarHBondContact O-CA 3.36Å; N195-G198 PolarHBondContact O-N 3.24Å; N195-G198 VanDerWaalsContact OD1-CA 3.22Å; N195-G198 WeakPolarHBondContact OD1-CA 3.47Å; A196-G198 PolarHBondContact O-N 2.81Å
199	S	97.8	Very high	98.3	Very high	18 Å²	18	55.8 Å²	55.8	13%	0.126	29%	0.294	C	S	.	.	S	Bend	trans	-96.4	-6.8	-175.2	76.8	0	0	0	0	115.3	I79 L80 N195 A196 C197 Y201	I79-S199 VanDerWaalsContact CG2-OG 3.24Å; I79-S199 WeakPolarHBondContact CG2-OG 3.47Å; L80-S199 WeakPolarHBondContact CD2-O 3.21Å; N195-S199 PolarHBondContact OD1-N 3.44Å; A196-S199 WeakPolarHBondContact O-CB 3.35Å; A196-S199 PolarHBondContact O-N 3.04Å; A196-S199 VanDerWaalsContact O-N 3.08Å; A196-S199 PolarHBondContact O-OG 2.78Å; C197-S199 VanDerWaalsContact C-N 3.3Å; C197-S199 PolarHBondContact O-N 2.93Å; S199-Y201 WeakPolarHBondContact OG-CB 3.34Å; S199-Y201 PolarHBondContact OG-N 2.96Å
200	G	97.8	Very high	98.2	Very high	65 Å²	65	53.9 Å²	53.9	67%	0.67	28%	0.279	S	S	*	.	S	Bend	trans	82.6	9	-171.5	0	0	0	0	0	114.5	N195	N195-G200 WeakPolarHBondContact OD1-CA 3.35Å; N195-G200 PolarHBondContact OD1-N 2.87Å
201	Y	98.4	Very high	98.1	Very high	34 Å²	34	49 Å²	49	13%	0.133	28%	0.281	C	S	.	.			trans	-104.6	123	178.7	-171.6	-117.5	0	0	0	110.5	L153 G156 R157 A161 N195 A196 S199 F203	L153-Y201 HydrophobicContact CD1-CD1 3.97Å; L153-Y201 HydrophobicContact CD1-CE1 4.32Å; G156-Y201 PolarHBondContact O-OH 2.94Å; R157-Y201 HydrophobicContact CB-CE1 4.15Å; A161-Y201 PolarHBondContact N-OH 2.78Å; A161-Y201 PolarHBondContact O-OH 3.03Å; N195-Y201 CarbonylContact C-O 3.56Å; A196-Y201 VanDerWaalsContact CB-O 3.32Å; A196-Y201 WeakPolarHBondContact CB-O 3.42Å; A196-Y201 PolarHBondContact N-O 2.9Å; S199-Y201 WeakPolarHBondContact OG-CB 3.34Å; S199-Y201 PolarHBondContact OG-N 2.96Å; Y201-F203 HydrophobicContact CD1-CB 3.82Å; Y201-F203 HydrophobicContact CD1-CG 4.48Å; Y201-F203 HydrophobicContact CE1-CB 3.73Å; Y201-F203 AromaticContact CE1-CD2 3.68Å; Y201-F203 HydrophobicContact CE1-CD2 3.68Å; Y201-F203 AromaticContact CE1-CG 3.97Å; Y201-F203 HydrophobicContact CE1-CG 3.97Å
202	D	98.8	Very high	97.8	Very high	93 Å²	93	49.2 Å²	49.2	50%	0.497	29%	0.29	S	S	.	.			trans	-87.1	125	174.8	-65.7	-23.1	0	0	0	109.4	K194 N195	K194-D202 VanDerWaalsContact CA-OD1 3.32Å; K194-D202 WeakPolarHBondContact CA-OD1 3.39Å; K194-D202 WeakPolarHBondContact CG-OD1 3.45Å; N195-D202 PolarHBondContact N-OD1 3.09Å
203	F	98.8	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-152.5	111.2	-176	-171.1	-102.6	0	0	0	113	C152 L153 A161 A164 G193 A196 Y201 V205	C152-F203 HydrophobicContact CB-CE1 4.05Å; C152-F203 HydrophobicContact CB-CZ 4.38Å; C152-F203 WeakPolarHBondContact O-CE1 3.4Å; C152-F203 WeakPolarHBondContact O-CZ 3.24Å; L153-F203 HydrophobicContact CB-CD1 4.2Å; L153-F203 HydrophobicContact CB-CE1 4.32Å; L153-F203 HydrophobicContact CD1-CB 3.68Å; L153-F203 HydrophobicContact CD1-CD1 3.67Å; L153-F203 HydrophobicContact CD1-CE1 4.49Å; L153-F203 HydrophobicContact CD1-CG 3.77Å; A161-F203 HydrophobicContact CB-CE2 4.22Å; A161-F203 WeakPolarHBondContact O-CD2 3.49Å; A161-F203 WeakPolarHBondContact O-CE2 3.43Å; A164-F203 HydrophobicContact CB-CE1 4.03Å; A164-F203 HydrophobicContact CB-CZ 3.63Å; G193-F203 WeakPolarHBondContact CA-O 3.19Å; G193-F203 PolarHBondContact N-O 3.21Å; G193-F203 PolarHBondContact O-N 3.28Å; A196-F203 HydrophobicContact CB-CB 4.37Å; Y201-F203 HydrophobicContact CD1-CB 3.82Å; Y201-F203 HydrophobicContact CD1-CG 4.48Å; Y201-F203 HydrophobicContact CE1-CB 3.73Å; Y201-F203 AromaticContact CE1-CD2 3.68Å; Y201-F203 HydrophobicContact CE1-CD2 3.68Å; Y201-F203 AromaticContact CE1-CG 3.97Å; Y201-F203 HydrophobicContact CE1-CG 3.97Å; F203-V205 HydrophobicContact CD1-CG2 4.13Å; F203-V205 HydrophobicContact CE1-CG2 3.81Å
204	D	98.8	Very high	97.6	Very high	55 Å²	55	52.1 Å²	52.1	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	153.2	177	-73	-50.8	0	0	0	112.9	A163 A164 Y187 F206	A163-D204 CarbonylContact C-O 3.59Å; A163-D204 WeakPolarHBondContact CA-O 3.42Å; A163-D204 HydrophobicContact CB-CB 4.25Å; A163-D204 WeakPolarHBondContact CB-O 3.26Å; A164-D204 PolarHBondContact N-O 3.28Å; Y187-D204 WeakPolarHBondContact CE1-OD1 3.45Å; Y187-D204 VanDerWaalsContact OH-CA 3.3Å; Y187-D204 WeakPolarHBondContact OH-CA 3.34Å; Y187-D204 WeakPolarHBondContact OH-CB 3.25Å; Y187-D204 PolarHBondContact OH-OD1 3.39Å; D204-F206 HydrophobicContact CB-CD2 4.45Å; D204-F206 HydrophobicContact CB-CE2 3.64Å; D204-F206 HydrophobicContact CB-CZ 3.73Å
205	V	98.8	Very high	97.6	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.3	175.2	-175.7	0	0	0	0	109	I149 C152 A164 I166 I183 Y187 I192 F203	I149-V205 HydrophobicContact CG2-CG2 4.44Å; C152-V205 HydrophobicContact CB-CG2 4.44Å; A164-V205 HydrophobicContact CB-CG1 4.45Å; A164-V205 HydrophobicContact CB-CG2 4.41Å; A164-V205 WeakPolarHBondContact O-CA 3.47Å; I166-V205 HydrophobicContact CD1-CG1 3.67Å; I166-V205 HydrophobicContact CG1-CG1 4.15Å; I183-V205 HydrophobicContact CD1-CG1 3.88Å; I183-V205 HydrophobicContact CG1-CG1 4.3Å; Y187-V205 PolarHBondContact OH-N 3.42Å; Y187-V205 VanDerWaalsContact OH-N 3.12Å; I192-V205 HydrophobicContact CD1-CB 4.08Å; I192-V205 HydrophobicContact CD1-CG2 3.93Å; I192-V205 HydrophobicContact CG2-CG2 4.29Å; F203-V205 HydrophobicContact CD1-CG2 4.13Å; F203-V205 HydrophobicContact CE1-CG2 3.81Å
206	F	98.7	Very high	97.6	Very high	87 Å²	87	41 Å²	41	38%	0.382	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.9	178.2	-58.3	-76.4	0	0	0	110.2	A163 A164 Y165 I166 D204	A163-F206 HydrophobicContact CB-CD2 4Å; A163-F206 HydrophobicContact CB-CE2 3.69Å; A164-F206 PolarHBondContact O-N 3.03Å; Y165-F206 CarbonylContact C-O 3.54Å; Y165-F206 WeakPolarHBondContact CA-O 3.15Å; Y165-F206 HydrophobicContact CD1-CB 3.6Å; Y165-F206 HydrophobicContact CD1-CD2 4.12Å; Y165-F206 HydrophobicContact CD1-CG 4.16Å; Y165-F206 HydrophobicContact CE1-CB 3.81Å; Y165-F206 AromaticContact CE1-CD2 3.69Å; Y165-F206 HydrophobicContact CE1-CD2 3.69Å; Y165-F206 AromaticContact CE1-CG 3.88Å; Y165-F206 HydrophobicContact CE1-CG 3.88Å; Y165-F206 HydrophobicContact CE2-CD2 4.44Å; Y165-F206 HydrophobicContact CG-CB 4.4Å; Y165-F206 AromaticContact CZ-CD2 3.87Å; I166-F206 PolarHBondContact N-O 3.36Å; D204-F206 HydrophobicContact CB-CD2 4.45Å; D204-F206 HydrophobicContact CB-CE2 3.64Å; D204-F206 HydrophobicContact CB-CZ 3.73Å
207	V	98.1	Very high	97.4	Very high	38 Å²	38	42 Å²	42	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.3	172.3	-179.4	0	0	0	0	108.4	I166 I168 L179 I183	I166-V207 WeakPolarHBondContact O-CA 3.38Å; I168-V207 HydrophobicContact CG2-CG1 4Å; L179-V207 HydrophobicContact CD2-CG2 4.02Å; L179-V207 HydrophobicContact CG-CG2 4.35Å; I183-V207 HydrophobicContact CD1-CG2 3.29Å
208	M	97.3	Very high	97.3	Very high	78 Å²	78	42.5 Å²	42.5	38%	0.384	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	172.5	-175.4	60.7	178	0	0	108.5	I166 Y167 I168	I166-M208 PolarHBondContact O-N 3.42Å; Y167-M208 CarbonylContact C-O 3.59Å; Y167-M208 WeakPolarHBondContact CA-O 3.44Å; Y167-M208 HydrophobicContact CD2-CB 4.45Å; Y167-M208 HydrophobicContact CD2-CG 4.24Å; I168-M208 PolarHBondContact N-O 2.89Å
209	R	97.7	Very high	97.2	Very high	109 Å²	109	43 Å²	43	41%	0.411	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.8	178	-66.9	-179	62	-135.8	-0.4	110.2	I168 G170	I168-R209 HydrophobicContact CG2-CB 4.31Å; I168-R209 HydrophobicContact CG2-CG 3.59Å; I168-R209 CarbonylContact O-C 3.51Å; I168-R209 WeakPolarHBondContact O-CA 3.29Å; G170-R209 PolarHBondContact O-NH2 2.85Å
210	G	96.9	Very high	97.1	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	25%	0.254	C	S	.	.			trans	-74.1	-169.6	164	0	0	0	0	0	112.2	Y167 I168 G170	Y167-G210 WeakPolarHBondContact OH-CA 3.39Å; I168-G210 PolarHBondContact O-N 3.41Å; G170-G210 WeakPolarHBondContact CA-O 3.46Å
211	A	96.5	Very high	97.1	Very high	96 Å²	96	39.1 Å²	39.1	79%	0.793	22%	0.222	S	C	*	.			trans	-144.3	44.3	-175.8	0	0	0	0	0	113.2
212	G	92.3	Very high	97.1	Very high	32 Å²	32	37.5 Å²	37.5	33%	0.33	22%	0.216	S	C	.	.	S	Bend	trans	75.4	59.4	174.1	0	0	0	0	0	114	E171	E171-G212 VanDerWaalsContact OE2-CA 3.32Å; E171-G212 WeakPolarHBondContact OE2-CA 3.39Å; E171-G212 PolarHBondContact OE2-N 3.33Å
213	A	96	Very high	97.1	Very high	29 Å²	29	33.1 Å²	33.1	24%	0.24	19%	0.192	C	C	.	.			trans	-143.2	108.1	176.3	0	0	0	0	0	110.2	I215 C216 E387	A213-I215 HydrophobicContact CB-CG2 4.27Å; A213-I215 PolarHBondContact O-N 3.37Å; A213-C216 HydrophobicContact CB-CB 4.38Å; A213-C216 VanDerWaalsContact O-CB 3.32Å; A213-C216 WeakPolarHBondContact O-CB 3.49Å; A213-C216 PolarHBondContact O-N 3.05Å; A213-E387 WeakPolarHBondContact CA-OE2 3.37Å
214	Y	97.6	Very high	97.1	Very high	38 Å²	38	34.5 Å²	34.5	15%	0.149	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.7	-33.7	179.5	158.4	-98.8	0	0	0	112.4	G130 E131 C216 G217 F383 Y384 E387 L437	G130-Y214 VanDerWaalsContact C-CD2 3.44Å; E131-Y214 HydrophobicContact CB-CE2 4.1Å; E131-Y214 WeakPolarHBondContact OE2-CE2 3.47Å; E131-Y214 VanDerWaalsContact OE2-CZ 3.25Å; E131-Y214 PolarHBondContact OE2-OH 3.25Å; Y214-C216 PolarHBondContact O-N 3.03Å; Y214-G217 WeakPolarHBondContact O-CA 3.42Å; Y214-G217 PolarHBondContact O-N 3.16Å; Y214-F383 HydrophobicContact CD1-CE1 4.14Å; Y214-F383 HydrophobicContact CD1-CZ 4.07Å; Y214-F383 HydrophobicContact CD2-CZ 4.03Å; Y214-F383 HydrophobicContact CE1-CE1 4.3Å; Y214-F383 HydrophobicContact CG-CE1 4.24Å; Y214-F383 AromaticContact CG-CZ 3.73Å; Y214-F383 HydrophobicContact CG-CZ 3.73Å; Y214-Y384 HydrophobicContact CE1-CD1 4.24Å; Y214-Y384 AromaticContact CE1-CE1 3.76Å; Y214-Y384 HydrophobicContact CE1-CE1 3.76Å; Y214-E387 HydrophobicContact CD1-CB 3.97Å; Y214-E387 HydrophobicContact CG-CB 4.34Å; Y214-E387 PolarHBondContact N-OE2 3.48Å; Y214-L437 HydrophobicContact CD1-CD1 3.78Å; Y214-L437 HydrophobicContact CE1-CD1 3.69Å; Y214-L437 HydrophobicContact CE1-CG 4.12Å
215	I	97.4	Very high	97	Very high	13 Å²	13	33 Å²	33	7%	0.067	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.1	-28.6	175.2	-173.1	58.3	0	0	0	112.7	A213 G217 E218 A221 P233 E387 C389 L437	A213-I215 HydrophobicContact CB-CG2 4.27Å; A213-I215 PolarHBondContact O-N 3.37Å; I215-G217 PolarHBondContact O-N 3.42Å; I215-E218 HydrophobicContact CD1-CB 4.36Å; I215-E218 WeakPolarHBondContact O-CB 3.35Å; I215-E218 PolarHBondContact O-N 3.3Å; I215-A221 HydrophobicContact CG1-CB 4.41Å; I215-A221 WeakPolarHBondContact O-CB 3.45Å; I215-P233 HydrophobicContact CD1-CG 3.82Å; I215-P233 HydrophobicContact CG1-CG 4.28Å; I215-E387 WeakPolarHBondContact CB-O 3.38Å; I215-C389 HydrophobicContact CB-CB 4.45Å; I215-C389 HydrophobicContact CG1-CB 3.9Å; I215-C389 HydrophobicContact CG2-CB 4.02Å; I215-L437 HydrophobicContact CB-CD1 4.25Å; I215-L437 HydrophobicContact CD1-CB 4.22Å; I215-L437 HydrophobicContact CD1-CD1 3.76Å; I215-L437 HydrophobicContact CG1-CD1 4.48Å
216	C	97.3	Very high	97	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.047	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-69.5	-9.1	173.6	-67.4	0	0	0	0	113	Y167 A213 Y214 E218 L222	Y167-C216 HydrophobicContact CE1-CB 4.12Å; Y167-C216 WeakPolarHBondContact OH-CB 3.49Å; A213-C216 HydrophobicContact CB-CB 4.38Å; A213-C216 VanDerWaalsContact O-CB 3.32Å; A213-C216 WeakPolarHBondContact O-CB 3.49Å; A213-C216 PolarHBondContact O-N 3.05Å; Y214-C216 PolarHBondContact O-N 3.03Å; C216-E218 VanDerWaalsContact C-N 3.3Å; C216-L222 VanDerWaalsContact O-CA 3.3Å; C216-L222 WeakPolarHBondContact O-CA 3.38Å; C216-L222 WeakPolarHBondContact O-CB 3.3Å; C216-L222 WeakPolarHBondContact O-CG 3.22Å
217	G	94.7	Very high	96.9	Very high	19 Å²	19	31.1 Å²	31.1	20%	0.196	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-76.4	-11.3	166.7	0	0	0	0	0	113.7	N126 D128 Y214 I215	N126-G217 PolarHBondContact ND2-O 3.14Å; D128-G217 PolarHBondContact OD2-N 2.81Å; Y214-G217 WeakPolarHBondContact O-CA 3.42Å; Y214-G217 PolarHBondContact O-N 3.16Å; I215-G217 PolarHBondContact O-N 3.42Å
218	E	96	Very high	96.9	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.154	21%	0.208	C	C	.	.	S	Bend	trans	-74.2	140.4	171.7	-166.7	-78	147.3	0	0	110.7	I215 C216 T220 A221 L222 K236 C435	I215-E218 HydrophobicContact CD1-CB 4.36Å; I215-E218 WeakPolarHBondContact O-CB 3.35Å; I215-E218 PolarHBondContact O-N 3.3Å; C216-E218 VanDerWaalsContact C-N 3.3Å; E218-T220 PolarHBondContact O-N 3Å; E218-T220 PolarHBondContact OE1-OG1 2.89Å; E218-T220 WeakPolarHBondContact OE2-CA 3.29Å; E218-T220 WeakPolarHBondContact OE2-CB 3.28Å; E218-T220 PolarHBondContact OE2-N 3.37Å; E218-T220 PolarHBondContact OE2-OG1 3.14Å; E218-A221 HydrophobicContact CB-CB 4.1Å; E218-A221 PolarHBondContact O-N 3.2Å; E218-A221 PolarHBondContact OE2-N 2.89Å; E218-L222 WeakPolarHBondContact O-CB 3.2Å; E218-L222 PolarHBondContact O-N 2.71Å; E218-K236 IonicContact OE1-NZ 3.11Å; E218-K236 PolarHBondContact OE1-NZ 3.29Å; E218-C435 HydrophobicContact CG-CB 3.86Å
219	E	94.6	Very high	96.9	Very high	43 Å²	43	34 Å²	34	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-38.8	-168.1	57.7	170.8	-156.3	0	0	115.5	K108 I223 K236 V252	K108-E219 IonicContact NZ-OE2 3.74Å; K108-E219 PolarHBondContact NZ-OE2 3.33Å; E219-I223 WeakPolarHBondContact O-CD1 3.05Å; E219-I223 WeakPolarHBondContact O-CG1 3.28Å; E219-I223 PolarHBondContact O-N 3.04Å; E219-K236 WeakPolarHBondContact OE1-CE 3.41Å; E219-K236 IonicContact OE1-NZ 2.83Å; E219-K236 PolarHBondContact OE1-NZ 3.4Å; E219-V252 HydrophobicContact CB-CB 3.81Å; E219-V252 HydrophobicContact CB-CG1 3.99Å; E219-V252 HydrophobicContact CB-CG2 4.04Å
220	T	97	Very high	96.9	Very high	3 Å²	3	35 Å²	35	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-86.5	-32.1	179.2	57.1	0	0	0	0	113	E218 L222 I223 E224 P233 R234 K236 P240	E218-T220 PolarHBondContact O-N 3Å; E218-T220 PolarHBondContact OE1-OG1 2.89Å; E218-T220 WeakPolarHBondContact OE2-CA 3.29Å; E218-T220 WeakPolarHBondContact OE2-CB 3.28Å; E218-T220 PolarHBondContact OE2-N 3.37Å; E218-T220 PolarHBondContact OE2-OG1 3.14Å; T220-L222 VanDerWaalsContact C-N 3.31Å; T220-I223 WeakPolarHBondContact O-CB 3.03Å; T220-I223 PolarHBondContact O-N 3.41Å; T220-E224 PolarHBondContact O-N 3.37Å; T220-E224 VanDerWaalsContact O-N 3.09Å; T220-P233 WeakPolarHBondContact OG1-CA 3.4Å; T220-P233 WeakPolarHBondContact OG1-CB 3.43Å; T220-R234 HydrophobicContact CG2-CB 4.18Å; T220-R234 PolarHBondContact OG1-N 3.15Å; T220-R234 PolarHBondContact OG1-O 3.21Å; T220-K236 VanDerWaalsContact CG2-CE 3.41Å; T220-P240 HydrophobicContact CG2-CG 3.92Å
221	A	98	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-38.9	171.1	0	0	0	0	0	111.8	I215 E218 I223 E224 S225 P233	I215-A221 HydrophobicContact CG1-CB 4.41Å; I215-A221 WeakPolarHBondContact O-CB 3.45Å; E218-A221 HydrophobicContact CB-CB 4.1Å; E218-A221 PolarHBondContact O-N 3.2Å; E218-A221 PolarHBondContact OE2-N 2.89Å; A221-I223 VanDerWaalsContact C-N 3.31Å; A221-I223 PolarHBondContact O-N 2.74Å; A221-E224 PolarHBondContact O-N 2.67Å; A221-S225 WeakPolarHBondContact O-CB 3.41Å; A221-S225 PolarHBondContact O-N 3.18Å; A221-P233 HydrophobicContact CB-CB 4.48Å; A221-P233 HydrophobicContact CB-CG 3.93Å
222	L	98.3	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-45	174.9	-165.8	156.3	0	0	0	110.8	V124 N126 Y167 C216 E218 T220 S225 L226 V252	V124-L222 HydrophobicContact CG1-CD2 3.2Å; N126-L222 HydrophobicContact CB-CD1 3.7Å; N126-L222 VanDerWaalsContact CG-CD1 3.49Å; Y167-L222 HydrophobicContact CD1-CD1 3.81Å; Y167-L222 HydrophobicContact CD1-CD2 4.32Å; Y167-L222 HydrophobicContact CD1-CG 3.7Å; Y167-L222 HydrophobicContact CD2-CD2 4.13Å; Y167-L222 HydrophobicContact CD2-CG 4.17Å; Y167-L222 HydrophobicContact CE1-CG 4.28Å; Y167-L222 HydrophobicContact CG-CD1 4.04Å; Y167-L222 HydrophobicContact CG-CD2 3.76Å; Y167-L222 HydrophobicContact CG-CG 3.64Å; C216-L222 VanDerWaalsContact O-CA 3.3Å; C216-L222 WeakPolarHBondContact O-CA 3.38Å; C216-L222 WeakPolarHBondContact O-CB 3.3Å; C216-L222 WeakPolarHBondContact O-CG 3.22Å; E218-L222 WeakPolarHBondContact O-CB 3.2Å; E218-L222 PolarHBondContact O-N 2.71Å; T220-L222 VanDerWaalsContact C-N 3.31Å; L222-S225 PolarHBondContact O-N 2.92Å; L222-L226 VanDerWaalsContact O-CB 3.29Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 3.14Å; L222-V252 HydrophobicContact CD1-CG1 4.46Å
223	I	98.2	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-49.2	174.7	-75.1	163.9	0	0	0	111	E219 T220 A221 S225 L226 E227 P240 V245 V252	E219-I223 WeakPolarHBondContact O-CD1 3.05Å; E219-I223 WeakPolarHBondContact O-CG1 3.28Å; E219-I223 PolarHBondContact O-N 3.04Å; T220-I223 WeakPolarHBondContact O-CB 3.03Å; T220-I223 PolarHBondContact O-N 3.41Å; A221-I223 VanDerWaalsContact C-N 3.31Å; A221-I223 PolarHBondContact O-N 2.74Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 3.42Å; I223-L226 PolarHBondContact O-N 2.95Å; I223-E227 WeakPolarHBondContact O-CG 3.11Å; I223-E227 PolarHBondContact O-N 2.62Å; I223-P240 HydrophobicContact CD1-CB 3.82Å; I223-P240 HydrophobicContact CD1-CG 4.04Å; I223-V245 HydrophobicContact CG2-CB 4.19Å; I223-V245 HydrophobicContact CG2-CG2 4.49Å; I223-V252 HydrophobicContact CD1-CG2 3.88Å; I223-V252 HydrophobicContact CG1-CG2 4.09Å
224	E	98.2	Very high	97.2	Very high	29 Å²	29	33.5 Å²	33.5	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-41.1	179.5	-73.3	-76.5	124.9	0	0	112	T220 A221 E227 G228 K229 K232 R234	T220-E224 PolarHBondContact O-N 3.37Å; T220-E224 VanDerWaalsContact O-N 3.09Å; A221-E224 PolarHBondContact O-N 2.67Å; E224-E227 WeakPolarHBondContact O-CB 3.3Å; E224-E227 PolarHBondContact O-N 2.94Å; E224-G228 PolarHBondContact O-N 2.84Å; E224-K229 WeakPolarHBondContact O-CB 3.41Å; E224-K229 PolarHBondContact O-N 3.46Å; E224-K229 IonicContact OE1-NZ 3.08Å; E224-K229 PolarHBondContact OE1-NZ 3.46Å; E224-K229 VanDerWaalsContact OE1-NZ 3.08Å; E224-K229 WeakPolarHBondContact OE2-CD 3.39Å; E224-K229 IonicContact OE2-NZ 3.4Å; E224-K229 PolarHBondContact OE2-NZ 3.35Å; E224-K232 WeakPolarHBondContact CG-O 3.47Å; E224-R234 HydrophobicContact CG-CG 4.01Å; E224-R234 IonicContact OE1-CZ 2.77Å; E224-R234 IonicContact OE1-NE 2.66Å; E224-R234 PolarHBondContact OE1-NE 2.84Å; E224-R234 IonicContact OE1-NH2 3.12Å; E224-R234 PolarHBondContact OE1-NH2 2.72Å
225	S	98.2	Very high	97	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-39.3	176.9	-169.6	0	0	0	0	112.1	Y167 A221 L222 I223 E227 G228	Y167-S225 PolarHBondContact OH-OG 2.88Å; Y167-S225 VanDerWaalsContact OH-OG 3.08Å; A221-S225 WeakPolarHBondContact O-CB 3.41Å; A221-S225 PolarHBondContact O-N 3.18Å; L222-S225 PolarHBondContact O-N 2.92Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 3.42Å; S225-E227 VanDerWaalsContact C-N 3.28Å; S225-E227 PolarHBondContact O-N 3.49Å; S225-G228 PolarHBondContact O-N 3.17Å; S225-G228 VanDerWaalsContact O-N 3.1Å
226	L	97.1	Very high	96.7	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-34.1	175.3	-167.4	168.4	0	0	0	111.4	V124 Y165 Y167 L222 I223 G228 V245 F246	V124-L226 HydrophobicContact CG1-CD1 4.15Å; V124-L226 HydrophobicContact CG2-CD1 4.13Å; Y165-L226 HydrophobicContact CD1-CD1 4.45Å; Y165-L226 HydrophobicContact CD1-CD2 4.33Å; Y165-L226 HydrophobicContact CG-CD1 4.06Å; Y167-L226 HydrophobicContact CD2-CB 4.39Å; L222-L226 VanDerWaalsContact O-CB 3.29Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 PolarHBondContact O-N 3.14Å; I223-L226 PolarHBondContact O-N 2.95Å; L226-G228 PolarHBondContact O-N 3.15Å; L226-V245 HydrophobicContact CB-CG2 4.41Å; L226-V245 HydrophobicContact CD1-CG2 4.12Å; L226-V245 HydrophobicContact CD2-CG2 3.48Å; L226-V245 VanDerWaalsContact CD2-CG2 3.48Å; L226-V245 HydrophobicContact CG-CG2 4.21Å; L226-F246 HydrophobicContact CD2-CE1 4.29Å; L226-F246 HydrophobicContact CD2-CE2 3.96Å; L226-F246 HydrophobicContact CD2-CZ 3.48Å; L226-F246 VanDerWaalsContact CD2-CZ 3.48Å
227	E	97.9	Very high	96.1	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	2.3	173.3	-70.9	176.4	-174.2	0	0	114.1	I223 E224 S225 K229 R234 V245 F246	I223-E227 WeakPolarHBondContact O-CG 3.11Å; I223-E227 PolarHBondContact O-N 2.62Å; E224-E227 WeakPolarHBondContact O-CB 3.3Å; E224-E227 PolarHBondContact O-N 2.94Å; S225-E227 VanDerWaalsContact C-N 3.28Å; S225-E227 PolarHBondContact O-N 3.49Å; E227-K229 VanDerWaalsContact C-N 3.33Å; E227-K229 IonicContact OE2-NZ 2.77Å; E227-K229 PolarHBondContact OE2-NZ 3Å; E227-R234 IonicContact OE1-CZ 3.62Å; E227-R234 IonicContact OE1-NH2 3.16Å; E227-R234 PolarHBondContact OE1-NH2 3.4Å; E227-R234 IonicContact OE2-NH2 2.9Å; E227-R234 PolarHBondContact OE2-NH2 3.32Å; E227-V245 HydrophobicContact CG-CG2 4.09Å; E227-V245 WeakPolarHBondContact OE1-CA 3.39Å; E227-F246 HydrophobicContact CG-CD1 3.86Å; E227-F246 HydrophobicContact CG-CE1 3.99Å; E227-F246 PolarHBondContact OE1-N 3.39Å
228	G	97	Very high	95.9	Very high	69 Å²	69	46.2 Å²	46.2	71%	0.711	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	14.5	179.8	0	0	0	0	0	114.2	E224 S225 L226	E224-G228 PolarHBondContact O-N 2.84Å; S225-G228 PolarHBondContact O-N 3.17Å; S225-G228 VanDerWaalsContact O-N 3.1Å; L226-G228 PolarHBondContact O-N 3.15Å
229	K	97.8	Very high	95.8	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.465	27%	0.268	S	S	.	.	S	Bend	trans	-95.7	177.1	173.7	-58.5	168.1	-176.6	158.1	0	110.2	E224 E227	E224-K229 WeakPolarHBondContact O-CB 3.41Å; E224-K229 PolarHBondContact O-N 3.46Å; E224-K229 IonicContact OE1-NZ 3.08Å; E224-K229 PolarHBondContact OE1-NZ 3.46Å; E224-K229 VanDerWaalsContact OE1-NZ 3.08Å; E224-K229 WeakPolarHBondContact OE2-CD 3.39Å; E224-K229 IonicContact OE2-NZ 3.4Å; E224-K229 PolarHBondContact OE2-NZ 3.35Å; E227-K229 VanDerWaalsContact C-N 3.33Å; E227-K229 IonicContact OE2-NZ 2.77Å; E227-K229 PolarHBondContact OE2-NZ 3Å
230	Q	97.6	Very high	95.8	Very high	131 Å²	131	48.3 Å²	48.3	61%	0.612	26%	0.261	S	S	*	.			trans	-62.8	140.7	167.2	-66.9	-179.3	-17.3	0	0	109.7	K232	Q230-K232 HydrophobicContact CB-CD 4.4Å; Q230-K232 HydrophobicContact CB-CG 4.36Å; Q230-K232 PolarHBondContact O-N 3.48Å
231	G	97.1	Very high	95.7	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.265	C	S	.	.			trans	-71.7	59.8	177	0	0	0	0	0	113.7
232	K	97.9	Very high	95.6	Very high	74 Å²	74	51.5 Å²	51.5	32%	0.322	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-101	121.3	177.4	-78.2	178.3	174.7	164.4	0	108.6	E224 Q230 C389 Q391	E224-K232 WeakPolarHBondContact CG-O 3.47Å; Q230-K232 HydrophobicContact CB-CD 4.4Å; Q230-K232 HydrophobicContact CB-CG 4.36Å; Q230-K232 PolarHBondContact O-N 3.48Å; K232-C389 WeakPolarHBondContact CE-O 3.47Å; K232-C389 HydrophobicContact CG-CB 3.93Å; K232-Q391 HydrophobicContact CD-CB 4.32Å; K232-Q391 HydrophobicContact CD-CG 4.5Å; K232-Q391 HydrophobicContact CG-CB 4.29Å
233	P	97.3	Very high	95.5	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.013	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-53.7	150.5	-179	-24.8	30.1	0	0	0	114.3	I215 T220 A221 Q391 I434 C435	I215-P233 HydrophobicContact CD1-CG 3.82Å; I215-P233 HydrophobicContact CG1-CG 4.28Å; T220-P233 WeakPolarHBondContact OG1-CA 3.4Å; T220-P233 WeakPolarHBondContact OG1-CB 3.43Å; A221-P233 HydrophobicContact CB-CB 4.48Å; A221-P233 HydrophobicContact CB-CG 3.93Å; P233-Q391 PolarHBondContact O-NE2 2.96Å; P233-Q391 PolarHBondContact O-OE1 3.29Å; P233-I434 HydrophobicContact CB-CG2 4Å; P233-C435 HydrophobicContact CB-CB 3.99Å; P233-C435 HydrophobicContact CG-CB 3.8Å
234	R	95.8	Very high	95.4	Very high	47 Å²	47	55.1 Å²	55.1	18%	0.177	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-87.4	146	169.4	-61.3	-179.2	-179.5	165.1	4.7	109.4	T220 E224 E227 I243 G244	T220-R234 HydrophobicContact CG2-CB 4.18Å; T220-R234 PolarHBondContact OG1-N 3.15Å; T220-R234 PolarHBondContact OG1-O 3.21Å; E224-R234 HydrophobicContact CG-CG 4.01Å; E224-R234 IonicContact OE1-CZ 2.77Å; E224-R234 IonicContact OE1-NE 2.66Å; E224-R234 PolarHBondContact OE1-NE 2.84Å; E224-R234 IonicContact OE1-NH2 3.12Å; E224-R234 PolarHBondContact OE1-NH2 2.72Å; E227-R234 IonicContact OE1-CZ 3.62Å; E227-R234 IonicContact OE1-NH2 3.16Å; E227-R234 PolarHBondContact OE1-NH2 3.4Å; E227-R234 IonicContact OE2-NH2 2.9Å; E227-R234 PolarHBondContact OE2-NH2 3.32Å; R234-I243 PolarHBondContact NH1-O 3Å; R234-G244 PolarHBondContact NH1-O 2.89Å
235	L	93.6	Very high	95.4	Very high	116 Å²	116	53.7 Å²	53.7	61%	0.607	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-67.4	139.6	168.2	-167.2	69.5	0	0	0	109.4	P237 I434	L235-P237 CarbonylContact O-C 3.59Å; L235-I434 HydrophobicContact CD1-CG1 4.3Å; L235-I434 HydrophobicContact CD1-CG2 4.35Å
236	K	90.7	Very high	95.4	Very high	67 Å²	67	57.5 Å²	57.5	29%	0.291	31%	0.306	S	S	.	.	S	Bend	trans	-104.8	128.4	174.2	-63.6	166.5	-163.7	169	0	107.9	E218 E219 T220 F239	E218-K236 IonicContact OE1-NZ 3.11Å; E218-K236 PolarHBondContact OE1-NZ 3.29Å; E219-K236 WeakPolarHBondContact OE1-CE 3.41Å; E219-K236 IonicContact OE1-NZ 2.83Å; E219-K236 PolarHBondContact OE1-NZ 3.4Å; T220-K236 VanDerWaalsContact CG2-CE 3.41Å; K236-F239 HydrophobicContact CB-CD1 4.28Å; K236-F239 HydrophobicContact CB-CE1 4.03Å; K236-F239 HydrophobicContact CD-CD1 4.32Å; K236-F239 HydrophobicContact CD-CE1 4.32Å; K236-F239 HydrophobicContact CG-CD1 4.34Å; K236-F239 HydrophobicContact CG-CE1 4.45Å
237	P	85.9	Confident	95.3	Very high	102 Å²	102	58.1 Å²	58.1	66%	0.662	32%	0.316	S	S	*	.	S	Bend	cis	-75.4	160.7	-2.5	31.1	-35.2	0	0	0	114.4	L235 F239	L235-P237 CarbonylContact O-C 3.59Å; P237-F239 HydrophobicContact CB-CE2 4.5Å
238	P	89.9	Confident	95.3	Very high	60 Å²	60	56.9 Å²	56.9	39%	0.39	31%	0.311	S	S	.	.	S	Bend	cis	-80.6	145.8	7.6	32	-34.8	0	0	0	113.9	I243	P238-I243 HydrophobicContact CB-CB 4.32Å; P238-I243 HydrophobicContact CB-CD1 4.24Å; P238-I243 HydrophobicContact CB-CG1 4.39Å; P238-I243 HydrophobicContact CG-CB 4.32Å; P238-I243 HydrophobicContact CG-CD1 4.28Å
239	F	94.3	Very high	95.4	Very high	110 Å²	110	54.1 Å²	54.1	48%	0.482	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77.1	152.4	176.3	-69.2	-78.8	0	0	0	111.4	K236 P237 A241 D242 I243	K236-F239 HydrophobicContact CB-CD1 4.28Å; K236-F239 HydrophobicContact CB-CE1 4.03Å; K236-F239 HydrophobicContact CD-CD1 4.32Å; K236-F239 HydrophobicContact CD-CE1 4.32Å; K236-F239 HydrophobicContact CG-CD1 4.34Å; K236-F239 HydrophobicContact CG-CE1 4.45Å; P237-F239 HydrophobicContact CB-CE2 4.5Å; F239-A241 PolarHBondContact O-N 3.27Å; F239-A241 VanDerWaalsContact O-N 3.1Å; F239-D242 PolarHBondContact O-N 2.92Å; F239-I243 PolarHBondContact O-N 3.49Å
240	P	94.8	Very high	95.4	Very high	10 Å²	10	49 Å²	49	7%	0.065	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32	177.5	-30.1	37	0	0	0	114.5	T220 I223 D242 I243 G244 T250	T220-P240 HydrophobicContact CG2-CG 3.92Å; I223-P240 HydrophobicContact CD1-CB 3.82Å; I223-P240 HydrophobicContact CD1-CG 4.04Å; P240-D242 PolarHBondContact O-N 3.37Å; P240-I243 CarbonylContact O-C 3.53Å; P240-G244 PolarHBondContact O-N 3.02Å; P240-G244 VanDerWaalsContact O-N 3.14Å; P240-T250 CarbonylContact C-O 3.21Å; P240-T250 WeakPolarHBondContact CB-O 3.21Å; P240-T250 PolarHBondContact O-N 3.07Å
241	A	95.3	Very high	95.4	Very high	11 Å²	11	42.9 Å²	42.9	9%	0.091	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.9	178.1	0	0	0	0	0	113.1	F111 M112 F239 P249 T250	F111-A241 HydrophobicContact CB-CB 3.77Å; M112-A241 HydrophobicContact SD-CB 4.13Å; F239-A241 PolarHBondContact O-N 3.27Å; F239-A241 VanDerWaalsContact O-N 3.1Å; A241-P249 WeakPolarHBondContact O-CB 3.45Å; A241-T250 WeakPolarHBondContact CA-O 3.46Å; A241-T250 PolarHBondContact N-O 3Å
242	D	94.4	Very high	95.5	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-50.9	173.8	-62	-45.3	0	0	0	111.5	K114 R119 F239 P240	K114-D242 IonicContact NZ-OD1 3.87Å; K114-D242 PolarHBondContact NZ-OD1 3.42Å; R119-D242 PolarHBondContact NH1-O 3.34Å; R119-D242 PolarHBondContact NH2-O 2.77Å; F239-D242 PolarHBondContact O-N 2.92Å; P240-D242 PolarHBondContact O-N 3.37Å
243	I	96.1	Very high	95.5	Very high	75 Å²	75	39.6 Å²	39.6	39%	0.385	21%	0.214	S	C	.	.	S	Bend	trans	-139.8	90.1	-177.2	-52.7	-179.5	0	0	0	109	R234 P238 F239 P240	R234-I243 PolarHBondContact NH1-O 3Å; P238-I243 HydrophobicContact CB-CB 4.32Å; P238-I243 HydrophobicContact CB-CD1 4.24Å; P238-I243 HydrophobicContact CB-CG1 4.39Å; P238-I243 HydrophobicContact CG-CB 4.32Å; P238-I243 HydrophobicContact CG-CD1 4.28Å; F239-I243 PolarHBondContact O-N 3.49Å; P240-I243 CarbonylContact O-C 3.53Å
244	G	97	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.			trans	-106.8	-129	176.2	0	0	0	0	0	112.2	R234 P240 G247 C248	R234-G244 PolarHBondContact NH1-O 2.89Å; P240-G244 PolarHBondContact O-N 3.02Å; P240-G244 VanDerWaalsContact O-N 3.14Å; G244-G247 PolarHBondContact O-N 3.42Å; G244-C248 CarbonylContact C-O 3.53Å; G244-C248 VanDerWaalsContact CA-O 3.25Å; G244-C248 WeakPolarHBondContact CA-O 3.33Å; G244-C248 PolarHBondContact N-O 3.3Å
245	V	97.6	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66.4	131.1	-173.8	78.3	0	0	0	0	111.5	Y122 V124 I223 L226 E227 G247 C248 T250	Y122-V245 HydrophobicContact CD2-CG1 3.51Å; Y122-V245 HydrophobicContact CE2-CG1 4.36Å; Y122-V245 HydrophobicContact CG-CG1 3.86Å; V124-V245 HydrophobicContact CG2-CB 4.45Å; V124-V245 HydrophobicContact CG2-CG1 4.22Å; I223-V245 HydrophobicContact CG2-CB 4.19Å; I223-V245 HydrophobicContact CG2-CG2 4.49Å; L226-V245 HydrophobicContact CB-CG2 4.41Å; L226-V245 HydrophobicContact CD1-CG2 4.12Å; L226-V245 HydrophobicContact CD2-CG2 3.48Å; L226-V245 VanDerWaalsContact CD2-CG2 3.48Å; L226-V245 HydrophobicContact CG-CG2 4.21Å; E227-V245 HydrophobicContact CG-CG2 4.09Å; E227-V245 WeakPolarHBondContact OE1-CA 3.39Å; V245-G247 PolarHBondContact O-N 2.87Å; V245-C248 WeakPolarHBondContact O-CB 3.25Å; V245-C248 PolarHBondContact O-N 3.19Å; V245-T250 HydrophobicContact CB-CG2 4.43Å; V245-T250 HydrophobicContact CG1-CG2 4.14Å; V245-T250 WeakPolarHBondContact CG1-OG1 3.49Å; V245-T250 PolarHBondContact N-OG1 3.36Å
246	F	97.6	Very high	96	Very high	103 Å²	103	32.4 Å²	32.4	45%	0.452	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	55.6	30.4	-175	-45.5	-58.6	0	0	0	113	Y122 Y165 L226 E227 C248	Y122-F246 HydrophobicContact CE2-CD2 4.28Å; Y165-F246 HydrophobicContact CE2-CE2 4.23Å; Y165-F246 AromaticContact CZ-CE2 3.98Å; L226-F246 HydrophobicContact CD2-CE1 4.29Å; L226-F246 HydrophobicContact CD2-CE2 3.96Å; L226-F246 HydrophobicContact CD2-CZ 3.48Å; L226-F246 VanDerWaalsContact CD2-CZ 3.48Å; E227-F246 HydrophobicContact CG-CD1 3.86Å; E227-F246 HydrophobicContact CG-CE1 3.99Å; E227-F246 PolarHBondContact OE1-N 3.39Å; F246-C248 PolarHBondContact O-N 2.94Å
247	G	96.6	Very high	96.3	Very high	28 Å²	28	29.4 Å²	29.4	29%	0.289	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	67.6	15.6	-174.8	0	0	0	0	0	114.2	R119 G244 V245	R119-G247 PolarHBondContact NH1-O 3.3Å; G244-G247 PolarHBondContact O-N 3.42Å; V245-G247 PolarHBondContact O-N 2.87Å
248	C	97.7	Very high	97	Very high	12 Å²	12	24.5 Å²	24.5	8%	0.081	14%	0.136	C	C	.	.	S	Bend	trans	-101	151.9	-178.3	-66.3	0	0	0	0	112	P120 Y122 G244 V245 F246 T250	P120-C248 VanDerWaalsContact O-CB 3.25Å; P120-C248 WeakPolarHBondContact O-CB 3.41Å; Y122-C248 HydrophobicContact CD2-CB 3.73Å; Y122-C248 HydrophobicContact CE2-CB 3.76Å; G244-C248 CarbonylContact C-O 3.53Å; G244-C248 VanDerWaalsContact CA-O 3.25Å; G244-C248 WeakPolarHBondContact CA-O 3.33Å; G244-C248 PolarHBondContact N-O 3.3Å; V245-C248 WeakPolarHBondContact O-CB 3.25Å; V245-C248 PolarHBondContact O-N 3.19Å; F246-C248 PolarHBondContact O-N 2.94Å; C248-T250 PolarHBondContact O-N 2.85Å; C248-T250 PolarHBondContact O-OG1 3.14Å
249	P	97.9	Very high	97.4	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.071	12%	0.117	C	C	.	.			trans	-54	124.7	173.3	-27.2	37	0	0	0	111	M112 K121 Y122 A241	M112-P249 HydrophobicContact CE-CB 3.84Å; M112-P249 WeakPolarHBondContact CE-O 3.18Å; M112-P249 HydrophobicContact SD-CB 4.14Å; K121-P249 WeakPolarHBondContact CA-O 3.48Å; K121-P249 HydrophobicContact CG-CB 4.13Å; K121-P249 HydrophobicContact CG-CG 4.46Å; Y122-P249 PolarHBondContact N-O 3.42Å; A241-P249 WeakPolarHBondContact O-CB 3.45Å
250	T	98.3	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.6	-173.1	-53.6	0	0	0	0	111.9	Y122 V124 P240 A241 V245 C248	Y122-T250 WeakPolarHBondContact O-CA 3.5Å; V124-T250 HydrophobicContact CB-CG2 4.04Å; V124-T250 HydrophobicContact CG2-CG2 3.44Å; V124-T250 VanDerWaalsContact CG2-CG2 3.44Å; P240-T250 CarbonylContact C-O 3.21Å; P240-T250 WeakPolarHBondContact CB-O 3.21Å; P240-T250 PolarHBondContact O-N 3.07Å; A241-T250 WeakPolarHBondContact CA-O 3.46Å; A241-T250 PolarHBondContact N-O 3Å; V245-T250 HydrophobicContact CB-CG2 4.43Å; V245-T250 HydrophobicContact CG1-CG2 4.14Å; V245-T250 WeakPolarHBondContact CG1-OG1 3.49Å; V245-T250 PolarHBondContact N-OG1 3.36Å; C248-T250 PolarHBondContact O-N 2.85Å; C248-T250 PolarHBondContact O-OG1 3.14Å
251	T	98.1	Very high	97.8	Very high	3 Å²	3	16 Å²	16	2%	0.018	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	165.5	-72.5	0	0	0	0	110.1	K108 M112 Y122 V124 M159	K108-T251 HydrophobicContact CD-CG2 4.27Å; K108-T251 HydrophobicContact CG-CG2 4.22Å; M112-T251 WeakPolarHBondContact CG-OG1 3.28Å; Y122-T251 PolarHBondContact O-N 2.95Å; V124-T251 PolarHBondContact N-O 2.81Å; M159-T251 HydrophobicContact CE-CG2 4.37Å; M159-T251 VanDerWaalsContact SD-CB 3.54Å; M159-T251 HydrophobicContact SD-CG2 3.8Å
252	V	98.4	Very high	97.9	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.03	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.5	169.7	-174.2	0	0	0	0	109.4	K108 V124 N126 E219 L222 I223	K108-V252 WeakPolarHBondContact CE-O 3.48Å; K108-V252 PolarHBondContact NZ-O 2.97Å; V124-V252 HydrophobicContact CB-CG2 4.12Å; V124-V252 HydrophobicContact CG1-CG2 4.33Å; V124-V252 CarbonylContact O-C 3.44Å; V124-V252 VanDerWaalsContact O-CA 3.24Å; V124-V252 WeakPolarHBondContact O-CA 3.29Å; N126-V252 HydrophobicContact CB-CG1 3.87Å; E219-V252 HydrophobicContact CB-CB 3.81Å; E219-V252 HydrophobicContact CB-CG1 3.99Å; E219-V252 HydrophobicContact CB-CG2 4.04Å; L222-V252 HydrophobicContact CD1-CG1 4.46Å; I223-V252 HydrophobicContact CD1-CG2 3.88Å; I223-V252 HydrophobicContact CG1-CG2 4.09Å
253	A	98.4	Very high	98.1	Very high	10 Å²	10	13.1 Å²	13.1	8%	0.083	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.2	178.4	0	0	0	0	0	111.4	L123 V124 V125 N126 V258	L123-A253 HydrophobicContact CD1-CB 4.49Å; V124-A253 PolarHBondContact O-N 3.13Å; V125-A253 CarbonylContact C-O 3.52Å; V125-A253 WeakPolarHBondContact CA-O 3.37Å; N126-A253 PolarHBondContact N-O 3.3Å; A253-V258 HydrophobicContact CB-CG2 3.62Å
254	N	98.6	Very high	98.3	Very high	15 Å²	15	9.5 Å²	9.5	8%	0.08	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	150.4	178.6	-172.6	47.2	0	0	0	111.9	R98 N126 K136 D137 E256 T257 V258	R98-N254 PolarHBondContact O-ND2 3.08Å; N126-N254 PolarHBondContact O-OD1 3.45Å; N126-N254 VanDerWaalsContact O-OD1 3.13Å; K136-N254 PolarHBondContact NZ-ND2 2.82Å; D137-N254 PolarHBondContact OD1-ND2 3.5Å; D137-N254 PolarHBondContact OD2-OD1 3.41Å; N254-E256 PolarHBondContact ND2-N 3.12Å; N254-E256 PolarHBondContact O-N 3.2Å; N254-T257 WeakPolarHBondContact O-CB 3.46Å; N254-T257 PolarHBondContact O-N 3.48Å; N254-V258 PolarHBondContact O-N 3.27Å
255	V	98.8	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-46	-54.9	174.7	169.7	0	0	0	0	112	V125 N126 A127 D137 I140 L148 T257 V258 A259	V125-V255 HydrophobicContact CG1-CB 4.47Å; V125-V255 HydrophobicContact CG1-CG2 3.74Å; N126-V255 WeakPolarHBondContact O-CG2 3.28Å; N126-V255 PolarHBondContact O-N 3.18Å; A127-V255 HydrophobicContact CB-CG2 3.38Å; D137-V255 HydrophobicContact CB-CB 3.95Å; D137-V255 HydrophobicContact CB-CG1 4.24Å; D137-V255 HydrophobicContact CB-CG2 4.24Å; I140-V255 HydrophobicContact CB-CG1 3.77Å; I140-V255 HydrophobicContact CD1-CG1 3.75Å; I140-V255 HydrophobicContact CG1-CG1 4.37Å; I140-V255 HydrophobicContact CG2-CG1 3.58Å; L148-V255 HydrophobicContact CD1-CB 4.41Å; L148-V255 HydrophobicContact CD1-CG1 3.98Å; L148-V255 HydrophobicContact CD1-CG2 4.5Å; L148-V255 HydrophobicContact CD2-CG1 4Å; L148-V255 HydrophobicContact CD2-CG2 4.19Å; L148-V255 HydrophobicContact CG-CG1 4.48Å; V255-T257 VanDerWaalsContact C-N 3.32Å; V255-T257 PolarHBondContact O-N 3.44Å; V255-V258 PolarHBondContact O-N 2.91Å; V255-V258 VanDerWaalsContact O-N 3.17Å; V255-A259 VanDerWaalsContact O-CB 3.28Å; V255-A259 WeakPolarHBondContact O-CB 3.17Å; V255-A259 PolarHBondContact O-N 3.16Å
256	E	98.8	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-42.6	-179.5	-172.8	-174.3	176.3	0	0	112.3	F52 R98 K136 I140 N254 V258 A259 V260 K284 L285	F52-E256 HydrophobicContact CE2-CG 3.98Å; F52-E256 HydrophobicContact CZ-CG 3.93Å; R98-E256 HydrophobicContact CB-CB 3.84Å; R98-E256 HydrophobicContact CB-CG 3.99Å; R98-E256 WeakPolarHBondContact CB-OE2 3.29Å; R98-E256 HydrophobicContact CG-CB 4.31Å; R98-E256 HydrophobicContact CG-CG 3.99Å; K136-E256 WeakPolarHBondContact CD-OE2 3.35Å; K136-E256 WeakPolarHBondContact CE-OE2 3.37Å; K136-E256 IonicContact NZ-OE2 3.38Å; I140-E256 HydrophobicContact CD1-CB 3.97Å; I140-E256 HydrophobicContact CD1-CG 4.38Å; N254-E256 PolarHBondContact ND2-N 3.12Å; N254-E256 PolarHBondContact O-N 3.2Å; E256-V258 PolarHBondContact O-N 3.39Å; E256-A259 PolarHBondContact O-N 2.94Å; E256-V260 WeakPolarHBondContact O-CG1 3.42Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.82Å; E256-V260 VanDerWaalsContact O-N 3.15Å; E256-K284 WeakPolarHBondContact OE1-CA 3.34Å; E256-K284 IonicContact OE1-NZ 3.69Å; E256-K284 IonicContact OE2-NZ 2.83Å; E256-K284 PolarHBondContact OE2-NZ 2.97Å; E256-L285 HydrophobicContact CG-CD1 4.24Å; E256-L285 PolarHBondContact OE1-N 3.38Å
257	T	98.7	Very high	98.4	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-40.4	178.6	-70.8	0	0	0	0	112.3	L95 R98 T105 W109 N254 V255 V260	L95-T257 HydrophobicContact CD2-CG2 4.12Å; R98-T257 VanDerWaalsContact CB-OG1 3.28Å; R98-T257 WeakPolarHBondContact CB-OG1 3.38Å; R98-T257 WeakPolarHBondContact CG-OG1 3.41Å; R98-T257 PolarHBondContact N-OG1 3.03Å; T105-T257 HydrophobicContact CG2-CG2 3.42Å; T105-T257 VanDerWaalsContact CG2-CG2 3.42Å; W109-T257 HydrophobicContact CZ2-CG2 4.4Å; N254-T257 WeakPolarHBondContact O-CB 3.46Å; N254-T257 PolarHBondContact O-N 3.48Å; V255-T257 VanDerWaalsContact C-N 3.32Å; V255-T257 PolarHBondContact O-N 3.44Å; T257-V260 WeakPolarHBondContact O-CG2 3.07Å
258	V	98.8	Very high	98.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-73.3	-43.4	180	174.9	0	0	0	0	110.3	L123 V125 L148 G151 A155 A253 N254 V255 E256 V260 A261	L123-V258 HydrophobicContact CD1-CG2 4.49Å; V125-V258 HydrophobicContact CG2-CG1 4.35Å; V125-V258 HydrophobicContact CG2-CG2 4.27Å; L148-V258 HydrophobicContact CD1-CB 4.19Å; L148-V258 HydrophobicContact CD1-CG1 4.05Å; G151-V258 VanDerWaalsContact CA-O 3.25Å; G151-V258 WeakPolarHBondContact CA-O 3.43Å; A155-V258 HydrophobicContact CB-CG1 4.4Å; A253-V258 HydrophobicContact CB-CG2 3.62Å; N254-V258 PolarHBondContact O-N 3.27Å; V255-V258 PolarHBondContact O-N 2.91Å; V255-V258 VanDerWaalsContact O-N 3.17Å; E256-V258 PolarHBondContact O-N 3.39Å; V258-V260 PolarHBondContact O-N 3.4Å; V258-A261 WeakPolarHBondContact O-CB 3.39Å; V258-A261 PolarHBondContact O-N 3.35Å
259	A	98.8	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.9	-27.1	-175.9	0	0	0	0	0	113.9	F52 I140 K147 L148 V255 E256 A261 P262	F52-A259 HydrophobicContact CE1-CB 3.79Å; F52-A259 HydrophobicContact CZ-CB 4.16Å; I140-A259 HydrophobicContact CG2-CB 4.18Å; K147-A259 HydrophobicContact CG-CB 4.46Å; K147-A259 WeakPolarHBondContact CG-O 3.22Å; L148-A259 HydrophobicContact CB-CB 4.48Å; L148-A259 HydrophobicContact CD1-CB 4.34Å; V255-A259 VanDerWaalsContact O-CB 3.28Å; V255-A259 WeakPolarHBondContact O-CB 3.17Å; V255-A259 PolarHBondContact O-N 3.16Å; E256-A259 PolarHBondContact O-N 2.94Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-P262 WeakPolarHBondContact O-CD 3.47Å
260	V	98.8	Very high	98.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-77.7	-19.4	175	-62.4	0	0	0	0	113.4	I51 F52 L95 E256 T257 V258 A263 I264	I51-V260 HydrophobicContact CD1-CB 4.01Å; I51-V260 HydrophobicContact CD1-CG1 3.86Å; I51-V260 HydrophobicContact CG2-CB 4.48Å; I51-V260 HydrophobicContact CG2-CG1 4.11Å; F52-V260 HydrophobicContact CE2-CG1 3.67Å; F52-V260 HydrophobicContact CZ-CG1 3.59Å; L95-V260 HydrophobicContact CD1-CG2 4.01Å; L95-V260 HydrophobicContact CD2-CG2 3.82Å; E256-V260 WeakPolarHBondContact O-CG1 3.42Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.82Å; E256-V260 VanDerWaalsContact O-N 3.15Å; T257-V260 WeakPolarHBondContact O-CG2 3.07Å; V258-V260 PolarHBondContact O-N 3.4Å; V260-A263 PolarHBondContact O-N 3.1Å; V260-A263 VanDerWaalsContact O-N 3.15Å; V260-I264 HydrophobicContact CB-CD1 4.39Å; V260-I264 HydrophobicContact CG2-CD1 3.95Å; V260-I264 WeakPolarHBondContact O-CG1 3.45Å; V260-I264 PolarHBondContact O-N 3.36Å
261	A	98.7	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-40.4	-171.9	0	0	0	0	0	114.7	W109 V258 A259 A263 I264 C265	W109-A261 HydrophobicContact CH2-CB 3.63Å; W109-A261 HydrophobicContact CZ3-CB 4.26Å; V258-A261 WeakPolarHBondContact O-CB 3.39Å; V258-A261 PolarHBondContact O-N 3.35Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.3Å; A261-I264 PolarHBondContact O-N 2.99Å; A261-C265 PolarHBondContact O-N 3.28Å; A261-C265 PolarHBondContact O-SG 3.11Å
262	P	98.8	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-40.4	175	-21.7	34.1	0	0	0	112.3	E150 G151 V154 A259 C265 R266	E150-P262 HydrophobicContact CB-CG 4.13Å; E150-P262 HydrophobicContact CG-CB 3.9Å; E150-P262 HydrophobicContact CG-CG 3.78Å; G151-P262 VanDerWaalsContact CA-CG 3.42Å; V154-P262 HydrophobicContact CB-CG 4.34Å; V154-P262 HydrophobicContact CG2-CB 4.23Å; V154-P262 HydrophobicContact CG2-CG 4.05Å; A259-P262 WeakPolarHBondContact O-CD 3.47Å; P262-C265 PolarHBondContact O-N 3.21Å; P262-R266 WeakPolarHBondContact O-CB 3.35Å; P262-R266 WeakPolarHBondContact O-CG 3.45Å; P262-R266 PolarHBondContact O-N 2.71Å
263	A	98.6	Very high	98.5	Very high	9 Å²	9	17.8 Å²	17.8	7%	0.074	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-40.5	177.5	0	0	0	0	0	111.6	I51 V260 A261 R266 R267	I51-A263 HydrophobicContact CD1-CB 4.31Å; I51-A263 HydrophobicContact CG1-CB 4.23Å; I51-A263 HydrophobicContact CG2-CB 3.73Å; V260-A263 PolarHBondContact O-N 3.1Å; V260-A263 VanDerWaalsContact O-N 3.15Å; A261-A263 VanDerWaalsContact C-N 3.35Å; A261-A263 PolarHBondContact O-N 3.3Å; A263-R266 PolarHBondContact O-N 3.31Å; A263-R267 VanDerWaalsContact O-CB 3.31Å; A263-R267 WeakPolarHBondContact O-CB 3.44Å; A263-R267 WeakPolarHBondContact O-CG 3.5Å; A263-R267 PolarHBondContact O-N 3.39Å
264	I	98.8	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-47.8	172.7	-69.7	169.8	0	0	0	110.5	L95 V260 A261 R266 G268 F272	L95-I264 HydrophobicContact CB-CD1 4.25Å; L95-I264 HydrophobicContact CD2-CD1 3.82Å; L95-I264 HydrophobicContact CG-CD1 4.42Å; V260-I264 HydrophobicContact CB-CD1 4.39Å; V260-I264 HydrophobicContact CG2-CD1 3.95Å; V260-I264 WeakPolarHBondContact O-CG1 3.45Å; V260-I264 PolarHBondContact O-N 3.36Å; A261-I264 PolarHBondContact O-N 2.99Å; I264-R266 VanDerWaalsContact C-N 3.31Å; I264-R266 PolarHBondContact O-N 3.35Å; I264-G268 CarbonylContact O-C 3.56Å; I264-G268 VanDerWaalsContact O-CA 3.22Å; I264-G268 WeakPolarHBondContact O-CA 3.2Å; I264-G268 PolarHBondContact O-N 3.47Å; I264-F272 HydrophobicContact CD1-CD1 3.99Å; I264-F272 HydrophobicContact CD1-CD2 4.25Å; I264-F272 HydrophobicContact CD1-CE1 4.1Å; I264-F272 HydrophobicContact CD1-CE2 4.37Å; I264-F272 HydrophobicContact CD1-CG 4.04Å; I264-F272 HydrophobicContact CD1-CZ 4.27Å; I264-F272 HydrophobicContact CG1-CB 4.03Å; I264-F272 HydrophobicContact CG1-CD1 4.29Å; I264-F272 HydrophobicContact CG1-CD2 3.95Å; I264-F272 HydrophobicContact CG1-CE2 4.46Å; I264-F272 HydrophobicContact CG1-CG 3.83Å
265	C	98.7	Very high	98.4	Very high	8 Å²	8	20.7 Å²	20.7	5%	0.054	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-32.8	179.2	-63	0	0	0	0	112.8	I78 W85 A261 P262	I78-C265 HydrophobicContact CD1-CB 3.94Å; I78-C265 HydrophobicContact CG1-CB 4.23Å; I78-C265 HydrophobicContact CG2-CB 4.09Å; W85-C265 HydrophobicContact CH2-CB 4.14Å; W85-C265 WeakPolarHBondContact CH2-O 3.42Å; W85-C265 HydrophobicContact CZ3-CB 4.11Å; A261-C265 PolarHBondContact O-N 3.28Å; A261-C265 PolarHBondContact O-SG 3.11Å; P262-C265 PolarHBondContact O-N 3.21Å
266	R	98.6	Very high	98.3	Very high	65 Å²	65	21.1 Å²	21.1	25%	0.245	13%	0.126	C	C	.	.	H	α-helix	trans	-76.6	-47.6	178.6	-79.2	-168.2	-78.1	-82.8	12.4	113.3	G70 D71 Y73 I78 E150 P262 A263 I264	G70-R266 PolarHBondContact O-NE 3.35Å; G70-R266 PolarHBondContact O-NH2 3.15Å; D71-R266 IonicContact OD1-NH2 3.95Å; Y73-R266 WeakPolarHBondContact O-CD 3.05Å; I78-R266 HydrophobicContact CD1-CG 3.74Å; E150-R266 IonicContact OE1-CZ 3.11Å; E150-R266 IonicContact OE1-NH1 3.41Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.86Å; E150-R266 IonicContact OE2-CZ 2.88Å; E150-R266 IonicContact OE2-NH1 2.65Å; E150-R266 PolarHBondContact OE2-NH1 2.71Å; E150-R266 IonicContact OE2-NH2 3.19Å; E150-R266 PolarHBondContact OE2-NH2 3.25Å; P262-R266 WeakPolarHBondContact O-CB 3.35Å; P262-R266 WeakPolarHBondContact O-CG 3.45Å; P262-R266 PolarHBondContact O-N 2.71Å; A263-R266 PolarHBondContact O-N 3.31Å; I264-R266 VanDerWaalsContact C-N 3.31Å; I264-R266 PolarHBondContact O-N 3.35Å
267	R	98.3	Very high	98.2	Very high	95 Å²	95	24.3 Å²	24.3	36%	0.358	14%	0.138	S	C	.	.	H	α-helix	trans	-89.2	-13.9	-173.5	-60.7	-179.9	67.7	161.6	4.9	112.6	Q48 D49 A263 W271	Q48-R267 PolarHBondContact O-NH1 3.29Å; Q48-R267 PolarHBondContact O-NH2 3.18Å; D49-R267 IonicContact OD1-NH2 2.91Å; D49-R267 PolarHBondContact OD1-NH2 2.9Å; A263-R267 VanDerWaalsContact O-CB 3.31Å; A263-R267 WeakPolarHBondContact O-CB 3.44Å; A263-R267 WeakPolarHBondContact O-CG 3.5Å; A263-R267 PolarHBondContact O-N 3.39Å; R267-W271 HydrophobicContact CB-CD2 3.76Å; R267-W271 HydrophobicContact CB-CE3 3.43Å; R267-W271 VanDerWaalsContact CB-CE3 3.43Å; R267-W271 HydrophobicContact CB-CG 4.23Å; R267-W271 HydrophobicContact CB-CZ3 4.01Å; R267-W271 HydrophobicContact CG-CE3 4.25Å; R267-W271 HydrophobicContact CG-CZ3 4.4Å; R267-W271 VanDerWaalsContact NE-CZ2 3.26Å; R267-W271 WeakPolarHBondContact O-CB 3.47Å
268	G	98.3	Very high	98	Very high	21 Å²	21	30.8 Å²	30.8	22%	0.216	17%	0.168	C	C	.	.			trans	95.5	141.3	-179.6	0	0	0	0	0	112.4	I264 A270 W271 F272	I264-G268 CarbonylContact O-C 3.56Å; I264-G268 VanDerWaalsContact O-CA 3.22Å; I264-G268 WeakPolarHBondContact O-CA 3.2Å; I264-G268 PolarHBondContact O-N 3.47Å; G268-A270 VanDerWaalsContact C-N 3.27Å; G268-A270 PolarHBondContact O-N 3.41Å; G268-W271 WeakPolarHBondContact O-CB 3.33Å; G268-W271 PolarHBondContact O-N 3.16Å; G268-W271 VanDerWaalsContact O-N 3.16Å; G268-F272 PolarHBondContact O-N 3.04Å
269	G	97.9	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-40.6	176.8	0	0	0	0	0	112.5	E89 S93 W271 F272 A273	E89-G269 PolarHBondContact OE2-N 3.23Å; S93-G269 WeakPolarHBondContact CA-O 3.42Å; G269-W271 VanDerWaalsContact C-N 3.28Å; G269-W271 PolarHBondContact O-N 3.38Å; G269-F272 PolarHBondContact O-N 3.13Å; G269-F272 VanDerWaalsContact O-N 3.15Å; G269-A273 WeakPolarHBondContact O-CB 3.36Å; G269-A273 PolarHBondContact O-N 2.97Å
270	A	98.2	Very high	97.7	Very high	70 Å²	70	39 Å²	39	58%	0.579	20%	0.199	S	C	*	.	H	α-helix	trans	-62.2	-32.2	179.2	0	0	0	0	0	113.6	G268 A273 S274	G268-A270 VanDerWaalsContact C-N 3.27Å; G268-A270 PolarHBondContact O-N 3.41Å; A270-A273 PolarHBondContact O-N 2.86Å; A270-S274 PolarHBondContact O-N 2.99Å; A270-S274 VanDerWaalsContact O-N 3.1Å
271	W	98.4	Very high	97.6	Very high	43 Å²	43	39.5 Å²	39.5	16%	0.163	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-47.8	174.1	163.2	79.3	0	0	0	110.4	D49 I51 R267 G268 G269 A273 S274 F275	D49-W271 HydrophobicContact CB-CZ2 4.34Å; D49-W271 WeakPolarHBondContact O-CZ2 3.35Å; D49-W271 PolarHBondContact OD1-NE1 2.69Å; I51-W271 HydrophobicContact CD1-CH2 3.97Å; I51-W271 HydrophobicContact CD1-CZ3 4.16Å; I51-W271 HydrophobicContact CG1-CH2 3.8Å; I51-W271 HydrophobicContact CG1-CZ3 4.37Å; R267-W271 HydrophobicContact CB-CD2 3.76Å; R267-W271 HydrophobicContact CB-CE3 3.43Å; R267-W271 VanDerWaalsContact CB-CE3 3.43Å; R267-W271 HydrophobicContact CB-CG 4.23Å; R267-W271 HydrophobicContact CB-CZ3 4.01Å; R267-W271 HydrophobicContact CG-CE3 4.25Å; R267-W271 HydrophobicContact CG-CZ3 4.4Å; R267-W271 VanDerWaalsContact NE-CZ2 3.26Å; R267-W271 WeakPolarHBondContact O-CB 3.47Å; G268-W271 WeakPolarHBondContact O-CB 3.33Å; G268-W271 PolarHBondContact O-N 3.16Å; G268-W271 VanDerWaalsContact O-N 3.16Å; G269-W271 VanDerWaalsContact C-N 3.28Å; G269-W271 PolarHBondContact O-N 3.38Å; W271-A273 VanDerWaalsContact C-N 3.32Å; W271-A273 PolarHBondContact O-N 2.9Å; W271-S274 WeakPolarHBondContact O-CB 3.42Å; W271-S274 PolarHBondContact O-N 3.01Å; W271-S274 VanDerWaalsContact O-N 3.14Å; W271-S274 PolarHBondContact O-OG 3.38Å; W271-F275 HydrophobicContact CD2-CE2 4.12Å; W271-F275 AromaticContact CE2-CE2 3.43Å; W271-F275 VanDerWaalsContact CE2-CE2 3.43Å; W271-F275 AromaticContact CE2-CZ 3.98Å; W271-F275 HydrophobicContact CG-CE2 4.46Å; W271-F275 HydrophobicContact CH2-CE2 4.34Å; W271-F275 AromaticContact CZ2-CE2 3.53Å; W271-F275 HydrophobicContact CZ2-CE2 3.53Å; W271-F275 HydrophobicContact CZ2-CZ 4.1Å; W271-F275 AromaticContact NE1-CE2 3.48Å; W271-F275 AromaticContact NE1-CZ 3.63Å; W271-F275 WeakPolarHBondContact O-CD2 3.19Å; W271-F275 WeakPolarHBondContact O-CE2 3.19Å
272	F	98.4	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-37.9	177.3	-168.8	-99.7	0	0	0	111.9	I51 S93 L95 I264 G268 G269 S274 F275 G282	I51-F272 HydrophobicContact CD1-CD2 3.91Å; I51-F272 HydrophobicContact CD1-CE2 3.67Å; S93-F272 WeakPolarHBondContact O-CD1 3.22Å; L95-F272 HydrophobicContact CB-CE1 4.03Å; L95-F272 HydrophobicContact CD1-CE1 3.63Å; L95-F272 HydrophobicContact CD1-CZ 3.72Å; L95-F272 HydrophobicContact CG-CE1 4.42Å; I264-F272 HydrophobicContact CD1-CD1 3.99Å; I264-F272 HydrophobicContact CD1-CD2 4.25Å; I264-F272 HydrophobicContact CD1-CE1 4.1Å; I264-F272 HydrophobicContact CD1-CE2 4.37Å; I264-F272 HydrophobicContact CD1-CG 4.04Å; I264-F272 HydrophobicContact CD1-CZ 4.27Å; I264-F272 HydrophobicContact CG1-CB 4.03Å; I264-F272 HydrophobicContact CG1-CD1 4.29Å; I264-F272 HydrophobicContact CG1-CD2 3.95Å; I264-F272 HydrophobicContact CG1-CE2 4.46Å; I264-F272 HydrophobicContact CG1-CG 3.83Å; G268-F272 PolarHBondContact O-N 3.04Å; G269-F272 PolarHBondContact O-N 3.13Å; G269-F272 VanDerWaalsContact O-N 3.15Å; F272-S274 PolarHBondContact O-N 3.38Å; F272-F275 PolarHBondContact O-N 2.76Å; F272-G282 VanDerWaalsContact CE1-CA 3.44Å; F272-G282 VanDerWaalsContact CZ-CA 3.43Å; F272-G282 VanDerWaalsContact O-CA 3.3Å; F272-G282 WeakPolarHBondContact O-CA 3.48Å; F272-G282 PolarHBondContact O-N 2.95Å
273	A	97.9	Very high	97.6	Very high	34 Å²	34	39.5 Å²	39.5	28%	0.281	20%	0.203	S	C	.	.	H	α-helix	trans	-66.3	-17.4	176	0	0	0	0	0	114.1	G269 A270 W271 F275	G269-A273 WeakPolarHBondContact O-CB 3.36Å; G269-A273 PolarHBondContact O-N 2.97Å; A270-A273 PolarHBondContact O-N 2.86Å; W271-A273 VanDerWaalsContact C-N 3.32Å; W271-A273 PolarHBondContact O-N 2.9Å; A273-F275 PolarHBondContact O-N 3.25Å
274	S	97.3	Very high	97.6	Very high	70 Å²	70	39 Å²	39	49%	0.49	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.1	179.8	78	0	0	0	0	114	A270 W271 F272	A270-S274 PolarHBondContact O-N 2.99Å; A270-S274 VanDerWaalsContact O-N 3.1Å; W271-S274 WeakPolarHBondContact O-CB 3.42Å; W271-S274 PolarHBondContact O-N 3.01Å; W271-S274 VanDerWaalsContact O-N 3.14Å; W271-S274 PolarHBondContact O-OG 3.38Å; F272-S274 PolarHBondContact O-N 3.38Å
275	F	97.7	Very high	97.6	Very high	15 Å²	15	39 Å²	39	7%	0.066	20%	0.199	C	C	.	.	S	Bend	trans	-96.4	144.2	176.2	-60.5	-67.8	0	0	0	111.7	L45 D49 W271 F272 A273 S281 G282 E301	L45-F275 HydrophobicContact CD1-CD1 3.92Å; L45-F275 HydrophobicContact CD1-CE1 3.67Å; L45-F275 HydrophobicContact CD1-CZ 4.17Å; D49-F275 HydrophobicContact CB-CE1 4.24Å; D49-F275 HydrophobicContact CB-CZ 3.75Å; W271-F275 HydrophobicContact CD2-CE2 4.12Å; W271-F275 AromaticContact CE2-CE2 3.43Å; W271-F275 VanDerWaalsContact CE2-CE2 3.43Å; W271-F275 AromaticContact CE2-CZ 3.98Å; W271-F275 HydrophobicContact CG-CE2 4.46Å; W271-F275 HydrophobicContact CH2-CE2 4.34Å; W271-F275 AromaticContact CZ2-CE2 3.53Å; W271-F275 HydrophobicContact CZ2-CE2 3.53Å; W271-F275 HydrophobicContact CZ2-CZ 4.1Å; W271-F275 AromaticContact NE1-CE2 3.48Å; W271-F275 AromaticContact NE1-CZ 3.63Å; W271-F275 WeakPolarHBondContact O-CD2 3.19Å; W271-F275 WeakPolarHBondContact O-CE2 3.19Å; F272-F275 PolarHBondContact O-N 2.76Å; A273-F275 PolarHBondContact O-N 3.25Å; F275-S281 CarbonylContact O-C 3.59Å; F275-S281 VanDerWaalsContact O-CA 3.26Å; F275-S281 WeakPolarHBondContact O-CA 3.28Å; F275-G282 WeakPolarHBondContact CB-O 3.15Å; F275-G282 PolarHBondContact O-N 2.96Å; F275-E301 WeakPolarHBondContact CA-OE1 3.42Å; F275-E301 HydrophobicContact CB-CG 3.77Å; F275-E301 HydrophobicContact CD1-CG 3.92Å; F275-E301 HydrophobicContact CG-CG 4.25Å
276	G	96.7	Very high	97.6	Very high	10 Å²	10	38.7 Å²	38.7	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	71.8	179.6	178.8	0	0	0	0	0	114.1	F42 E301 M302	F42-G276 WeakPolarHBondContact CE1-O 3.45Å; G276-E301 PolarHBondContact N-OE1 3.08Å; G276-M302 VanDerWaalsContact CA-O 3.26Å; G276-M302 WeakPolarHBondContact CA-O 3.45Å
277	R	96.5	Very high	97.6	Very high	67 Å²	67	35.6 Å²	35.6	25%	0.253	19%	0.185	S	C	.	.	S	Bend	trans	-71.8	163	177.2	-70.4	-170.7	-51.3	136.9	2.4	111.7	F42 R279 N280 S303 D348 D351	F42-R277 HydrophobicContact CD2-CG 4.3Å; F42-R277 HydrophobicContact CE1-CG 4.14Å; F42-R277 HydrophobicContact CE2-CG 3.43Å; F42-R277 VanDerWaalsContact CE2-CG 3.43Å; F42-R277 HydrophobicContact CZ-CB 4.35Å; F42-R277 HydrophobicContact CZ-CG 3.34Å; R277-R279 PolarHBondContact O-N 3.23Å; R277-N280 HydrophobicContact CB-CB 4.27Å; R277-N280 CarbonylContact O-C 3.58Å; R277-N280 VanDerWaalsContact O-C 3.25Å; R277-N280 WeakPolarHBondContact O-CA 3.44Å; R277-N280 PolarHBondContact O-N 2.99Å; R277-S303 WeakPolarHBondContact CG-OG 3.44Å; R277-S303 PolarHBondContact N-OG 3.16Å; R277-D348 IonicContact CZ-OD1 2.83Å; R277-D348 IonicContact CZ-OD2 3.19Å; R277-D348 VanDerWaalsContact CZ-OD2 3.24Å; R277-D348 IonicContact NE-OD2 3.8Å; R277-D348 PolarHBondContact NE-OD2 3.33Å; R277-D348 IonicContact NH2-OD1 3.33Å; R277-D348 PolarHBondContact NH2-OD1 2.89Å; R277-D348 IonicContact NH2-OD2 2.73Å; R277-D348 PolarHBondContact NH2-OD2 2.97Å; R277-D351 IonicContact CZ-OD1 3.72Å; R277-D351 IonicContact NH1-OD1 3.89Å; R277-D351 VanDerWaalsContact NH2-N 3.19Å; R277-D351 IonicContact NH2-OD1 3.48Å; R277-D351 PolarHBondContact NH2-OD1 3.26Å
278	E	94.2	Very high	97.6	Very high	138 Å²	138	31.2 Å²	31.2	65%	0.645	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	137.7	166.8	-166.2	178.4	168.4	0	0	110.2	K38 N280	K38-E278 IonicContact NZ-OE2 3.81Å; K38-E278 PolarHBondContact NZ-OE2 3.27Å; E278-N280 PolarHBondContact O-N 3.24Å; E278-N280 VanDerWaalsContact O-N 3.12Å; E278-N280 PolarHBondContact O-ND2 3.39Å; E278-N280 VanDerWaalsContact O-ND2 3.13Å
279	R	94	Very high	97.6	Very high	173 Å²	173	31.7 Å²	31.7	65%	0.653	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	4.7	-172.3	-56.2	169.8	55.7	-174	-5.5	115.6	R96 R277 D350	R96-R279 WeakPolarHBondContact CD-O 3.5Å; R96-R279 PolarHBondContact NH1-O 3.48Å; R96-R279 VanDerWaalsContact NH1-O 3.09Å; R277-R279 PolarHBondContact O-N 3.23Å; R279-D350 IonicContact NE-OD2 2.85Å
280	N	96.7	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-133.3	42.3	-179	-66.9	-74.3	0	0	0	110.7	R96 R277 E278 M302 D348 F349 D350	R96-N280 PolarHBondContact NH1-OD1 2.97Å; R277-N280 HydrophobicContact CB-CB 4.27Å; R277-N280 CarbonylContact O-C 3.58Å; R277-N280 VanDerWaalsContact O-C 3.25Å; R277-N280 WeakPolarHBondContact O-CA 3.44Å; R277-N280 PolarHBondContact O-N 2.99Å; E278-N280 PolarHBondContact O-N 3.24Å; E278-N280 VanDerWaalsContact O-N 3.12Å; E278-N280 PolarHBondContact O-ND2 3.39Å; E278-N280 VanDerWaalsContact O-ND2 3.13Å; N280-M302 HydrophobicContact CB-CE 4.2Å; N280-M302 WeakPolarHBondContact O-CB 3.32Å; N280-D348 HydrophobicContact CB-CB 3.74Å; N280-F349 WeakPolarHBondContact OD1-CB 3.49Å; N280-F349 PolarHBondContact OD1-N 3.2Å; N280-F349 VanDerWaalsContact OD1-N 3.12Å; N280-D350 VanDerWaalsContact ND2-CG 3.33Å; N280-D350 PolarHBondContact ND2-OD2 2.95Å; N280-D350 PolarHBondContact OD1-N 2.85Å
281	S	97.6	Very high	97.7	Very high	11 Å²	11	33 Å²	33	8%	0.077	17%	0.173	C	C	.	.			trans	-75.3	147.7	-168.8	-64.8	0	0	0	0	114.5	S93 R98 F275	S93-S281 VanDerWaalsContact O-CB 3.31Å; S93-S281 WeakPolarHBondContact O-CB 3.35Å; R98-S281 PolarHBondContact NH2-O 2.8Å; F275-S281 CarbonylContact O-C 3.59Å; F275-S281 VanDerWaalsContact O-CA 3.26Å; F275-S281 WeakPolarHBondContact O-CA 3.28Å
282	G	97.7	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	104.4	-162.6	166.3	0	0	0	0	0	115.6	F272 F275 M302	F272-G282 VanDerWaalsContact CE1-CA 3.44Å; F272-G282 VanDerWaalsContact CZ-CA 3.43Å; F272-G282 VanDerWaalsContact O-CA 3.3Å; F272-G282 WeakPolarHBondContact O-CA 3.48Å; F272-G282 PolarHBondContact O-N 2.95Å; F275-G282 WeakPolarHBondContact CB-O 3.15Å; F275-G282 PolarHBondContact O-N 2.96Å; G282-M302 WeakPolarHBondContact O-CB 3.14Å; G282-M302 WeakPolarHBondContact O-CG 3.09Å; G282-M302 PolarHBondContact O-N 2.91Å
283	T	98.5	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	164	170.8	63.8	0	0	0	0	110.3	L45 R98 E299 E300	L45-T283 HydrophobicContact CD1-CG2 3.88Å; L45-T283 HydrophobicContact CD2-CG2 3.55Å; L45-T283 HydrophobicContact CG-CG2 4.39Å; R98-T283 PolarHBondContact NE-O 3.29Å; R98-T283 PolarHBondContact NH2-O 2.7Å; T283-E299 WeakPolarHBondContact CB-OE1 3.47Å; T283-E299 PolarHBondContact OG1-OE1 3.19Å; T283-E300 WeakPolarHBondContact CA-O 3.28Å
284	K	98.7	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.1	177.3	-176.4	70.6	-171.1	70.9	0	110.3	E256 F286 E299 E300 M302 T361 A362	E256-K284 WeakPolarHBondContact OE1-CA 3.34Å; E256-K284 IonicContact OE1-NZ 3.69Å; E256-K284 IonicContact OE2-NZ 2.83Å; E256-K284 PolarHBondContact OE2-NZ 2.97Å; K284-F286 HydrophobicContact CB-CD2 4.42Å; K284-F286 HydrophobicContact CB-CE2 3.78Å; K284-F286 HydrophobicContact CB-CZ 3.84Å; K284-F286 HydrophobicContact CG-CE1 4.19Å; K284-F286 HydrophobicContact CG-CE2 4.22Å; K284-F286 HydrophobicContact CG-CZ 4Å; K284-F286 VanDerWaalsContact O-CD2 3.28Å; K284-F286 WeakPolarHBondContact O-CD2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.35Å; K284-E299 CarbonylContact O-C 2.98Å; K284-E299 WeakPolarHBondContact O-CA 3.27Å; K284-E300 PolarHBondContact N-O 3.16Å; K284-E300 PolarHBondContact O-N 2.83Å; K284-M302 HydrophobicContact CB-CG 4.18Å; K284-M302 HydrophobicContact CB-SD 3.53Å; K284-M302 VanDerWaalsContact CB-SD 3.53Å; K284-M302 HydrophobicContact CD-SD 4.38Å; K284-M302 HydrophobicContact CG-SD 4.06Å; K284-T361 WeakPolarHBondContact CE-O 3.46Å; K284-T361 PolarHBondContact NZ-O 3.06Å; K284-A362 HydrophobicContact CD-CB 4.22Å; K284-A362 HydrophobicContact CG-CB 3.7Å
285	L	98.8	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	120	164.7	-68	172.6	0	0	0	109.8	F52 L55 K136 I140 E256 E299	F52-L285 HydrophobicContact CB-CD2 4.42Å; F52-L285 HydrophobicContact CD2-CD1 3.83Å; F52-L285 HydrophobicContact CD2-CD2 3.86Å; F52-L285 HydrophobicContact CD2-CG 3.82Å; F52-L285 HydrophobicContact CE2-CD1 3.82Å; F52-L285 HydrophobicContact CE2-CG 3.98Å; F52-L285 HydrophobicContact CG-CD1 4.25Å; F52-L285 HydrophobicContact CG-CD2 4.35Å; F52-L285 HydrophobicContact CZ-CD1 4.25Å; L55-L285 HydrophobicContact CD1-CD1 4.35Å; L55-L285 HydrophobicContact CD1-CD2 3.79Å; L55-L285 HydrophobicContact CD2-CD2 3.63Å; L55-L285 HydrophobicContact CG-CD2 4.38Å; K136-L285 HydrophobicContact CB-CB 3.67Å; K136-L285 HydrophobicContact CB-CD1 3.9Å; K136-L285 HydrophobicContact CB-CG 4.43Å; K136-L285 HydrophobicContact CD-CB 4.07Å; I140-L285 HydrophobicContact CD1-CD1 3.64Å; I140-L285 HydrophobicContact CG1-CD1 3.91Å; E256-L285 HydrophobicContact CG-CD1 4.24Å; E256-L285 PolarHBondContact OE1-N 3.38Å; L285-E299 HydrophobicContact CD2-CB 3.72Å; L285-E299 HydrophobicContact CD2-CG 4.25Å
286	F	98.9	Very high	97.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	174.4	-66	-80.8	0	0	0	109.9	K284 T297 V298 E300 I304 L309 M347 L359 A362	K284-F286 HydrophobicContact CB-CD2 4.42Å; K284-F286 HydrophobicContact CB-CE2 3.78Å; K284-F286 HydrophobicContact CB-CZ 3.84Å; K284-F286 HydrophobicContact CG-CE1 4.19Å; K284-F286 HydrophobicContact CG-CE2 4.22Å; K284-F286 HydrophobicContact CG-CZ 4Å; K284-F286 VanDerWaalsContact O-CD2 3.28Å; K284-F286 WeakPolarHBondContact O-CD2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.35Å; F286-T297 CarbonylContact O-C 3.59Å; F286-T297 VanDerWaalsContact O-CA 3.25Å; F286-T297 WeakPolarHBondContact O-CA 3.39Å; F286-V298 HydrophobicContact CB-CG1 4.39Å; F286-V298 PolarHBondContact N-O 2.63Å; F286-V298 PolarHBondContact O-N 3.05Å; F286-E300 HydrophobicContact CD2-CB 3.76Å; F286-E300 HydrophobicContact CE2-CB 3.85Å; F286-I304 HydrophobicContact CE2-CG2 4.18Å; F286-I304 HydrophobicContact CZ-CG2 4.16Å; F286-L309 HydrophobicContact CB-CD1 4.3Å; F286-L309 HydrophobicContact CB-CD2 4.01Å; F286-L309 HydrophobicContact CD1-CD2 3.59Å; F286-L309 HydrophobicContact CD2-CD1 4.14Å; F286-L309 HydrophobicContact CD2-CD2 4.24Å; F286-L309 HydrophobicContact CE1-CD2 4.13Å; F286-L309 HydrophobicContact CG-CD1 4.19Å; F286-L309 HydrophobicContact CG-CD2 3.67Å; F286-M347 HydrophobicContact CD1-CE 4.12Å; F286-M347 HydrophobicContact CE1-CB 3.65Å; F286-M347 HydrophobicContact CE1-CE 3.88Å; F286-M347 HydrophobicContact CE1-CG 4.26Å; F286-M347 HydrophobicContact CZ-CB 3.87Å; F286-L359 HydrophobicContact CE1-CD1 4.43Å; F286-A362 WeakPolarHBondContact CA-O 3.18Å; F286-A362 HydrophobicContact CD1-CB 3.62Å; F286-A362 HydrophobicContact CE1-CB 3.72Å
287	N	98.8	Very high	98	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	106	171.7	-57.3	-58.1	0	0	0	108.3	G133 C135 K136 T297 A362 A363 V364	G133-N287 VanDerWaalsContact O-CB 3.26Å; G133-N287 WeakPolarHBondContact O-CB 3.4Å; C135-N287 PolarHBondContact N-ND2 2.91Å; C135-N287 VanDerWaalsContact N-ND2 3.15Å; C135-N287 PolarHBondContact SG-OD1 3Å; C135-N287 VanDerWaalsContact SG-OD1 3.35Å; K136-N287 PolarHBondContact N-ND2 3.15Å; K136-N287 PolarHBondContact N-OD1 3.29Å; N287-T297 WeakPolarHBondContact OD1-CB 3.43Å; N287-T297 WeakPolarHBondContact OD1-CG2 3.38Å; N287-T297 PolarHBondContact OD1-OG1 2.78Å; N287-A362 PolarHBondContact N-O 3.09Å; N287-A362 VanDerWaalsContact N-O 3.13Å; N287-A363 HydrophobicContact CB-CB 4.41Å; N287-A363 CarbonylContact O-C 3.25Å; N287-V364 PolarHBondContact O-N 2.86Å
288	I	98.9	Very high	98.1	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.3	179.5	-48.4	165	0	0	0	108	V292 P295 C296 V298 L309 I310 H313 A314 V366	I288-V292 HydrophobicContact CG2-CG1 3.94Å; I288-V292 HydrophobicContact CG2-CG2 4.17Å; I288-P295 CarbonylContact O-C 3.59Å; I288-P295 VanDerWaalsContact O-CA 3.26Å; I288-P295 WeakPolarHBondContact O-CA 3.47Å; I288-C296 PolarHBondContact N-O 3.22Å; I288-C296 PolarHBondContact O-N 3.22Å; I288-V298 HydrophobicContact CD1-CG1 4.39Å; I288-L309 HydrophobicContact CD1-CD1 4.09Å; I288-L309 HydrophobicContact CD1-CG 3.88Å; I288-L309 HydrophobicContact CG1-CG 4.44Å; I288-I310 HydrophobicContact CG2-CG1 4.39Å; I288-H313 HydrophobicContact CD1-CB 4.09Å; I288-A314 HydrophobicContact CB-CB 4.1Å; I288-A314 HydrophobicContact CD1-CB 3.93Å; I288-A314 HydrophobicContact CG2-CB 3.6Å; I288-V366 HydrophobicContact CG2-CG2 4.32Å
289	S	98.8	Very high	98.3	Very high	30 Å²	30	32.7 Å²	32.7	21%	0.21	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	174	-172.5	67.1	0	0	0	0	111.6	V364 V366	S289-V364 PolarHBondContact N-O 2.81Å; S289-V364 PolarHBondContact OG-O 3.42Å; S289-V366 PolarHBondContact O-N 3.37Å
290	G	98.3	Very high	98.5	Very high	40 Å²	40	24.5 Å²	24.5	41%	0.412	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-139	-179.4	0	0	0	0	0	112.8	V292 V366	G290-V292 VanDerWaalsContact C-N 3.27Å; G290-V292 PolarHBondContact O-N 2.77Å; G290-V366 WeakPolarHBondContact CA-O 3.4Å
291	H	98.8	Very high	98.6	Very high	57 Å²	57	24.6 Å²	24.6	26%	0.264	14%	0.143	S	C	.	.	S	Bend	trans	-85.4	58	-169.1	-60.5	171.7	0	0	0	113.1	R318 V366 D368 T371	H291-R318 PolarHBondContact O-N 3.46Å; H291-V366 PolarHBondContact N-O 2.86Å; H291-D368 HydrophobicContact CB-CB 3.92Å; H291-D368 IonicContact CE1-OD1 3.4Å; H291-D368 IonicContact CG-OD1 2.78Å; H291-D368 VanDerWaalsContact ND1-CG 3.3Å; H291-D368 PolarHBondContact ND1-N 2.83Å; H291-D368 IonicContact ND1-OD1 3.32Å; H291-D368 PolarHBondContact ND1-OD1 3.01Å; H291-D368 IonicContact ND1-OD2 2.82Å; H291-T371 PolarHBondContact CE1-OG1 2.84Å; H291-T371 PolarHBondContact ND1-OG1 3.03Å; H291-T371 VanDerWaalsContact ND1-OG1 3.1Å
292	V	98.8	Very high	98.6	Very high	12 Å²	12	24 Å²	24	7%	0.073	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-113	162.6	169.9	-65.7	0	0	0	0	110.8	I288 G290 P295 I310 A314 G316 V366	I288-V292 HydrophobicContact CG2-CG1 3.94Å; I288-V292 HydrophobicContact CG2-CG2 4.17Å; G290-V292 VanDerWaalsContact C-N 3.27Å; G290-V292 PolarHBondContact O-N 2.77Å; V292-P295 HydrophobicContact CG2-CB 4.12Å; V292-P295 HydrophobicContact CG2-CG 3.74Å; V292-I310 HydrophobicContact CG1-CG2 4.03Å; V292-A314 HydrophobicContact CB-CB 3.92Å; V292-A314 HydrophobicContact CG1-CB 4.14Å; V292-A314 HydrophobicContact CG2-CB 3.98Å; V292-G316 WeakPolarHBondContact CA-O 3.36Å; V292-V366 HydrophobicContact CG1-CB 3.76Å; V292-V366 HydrophobicContact CG1-CG1 3.93Å; V292-V366 HydrophobicContact CG1-CG2 3.58Å
293	N	98.7	Very high	98.6	Very high	78 Å²	78	24 Å²	24	42%	0.417	14%	0.14	S	C	.	.	S	Bend	trans	-71.3	-38.8	-178.8	-66.7	-41.8	0	0	0	112.5	A314 G315 G316	N293-A314 PolarHBondContact N-O 3.11Å; N293-G315 PolarHBondContact ND2-O 2.99Å; N293-G316 PolarHBondContact N-O 3.27Å; N293-G316 PolarHBondContact ND2-O 3.36Å
294	F	98.4	Very high	98.6	Very high	141 Å²	141	24 Å²	24	62%	0.618	14%	0.14	S	C	*	.	S	Bend	trans	-132.8	82.8	-179.5	-53	-63.2	0	0	0	111.1	C296 A314	F294-C296 PolarHBondContact O-N 2.86Å; F294-A314 PolarHBondContact N-O 3.26Å; F294-A314 VanDerWaalsContact O-CA 3.27Å; F294-A314 WeakPolarHBondContact O-CA 3.38Å
295	P	98.7	Very high	98.6	Very high	83 Å²	83	25.7 Å²	25.7	54%	0.539	15%	0.151	S	C	.	.			trans	-55.7	132.5	174.4	-22.9	32.5	0	0	0	111.3	I288 V292	I288-P295 CarbonylContact O-C 3.59Å; I288-P295 VanDerWaalsContact O-CA 3.26Å; I288-P295 WeakPolarHBondContact O-CA 3.47Å; V292-P295 HydrophobicContact CG2-CB 4.12Å; V292-P295 HydrophobicContact CG2-CG 3.74Å
296	C	98.7	Very high	98.6	Very high	34 Å²	34	25.7 Å²	25.7	23%	0.23	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.1	-173.9	68.8	0	0	0	0	112.8	I288 F294 H313	I288-C296 PolarHBondContact N-O 3.22Å; I288-C296 PolarHBondContact O-N 3.22Å; F294-C296 PolarHBondContact O-N 2.86Å; C296-H313 PolarHBondContact SG-O 2.82Å
297	T	98.8	Very high	98.5	Very high	16 Å²	16	30.6 Å²	30.6	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.1	164.7	-60.5	0	0	0	0	108.3	L55 Y56 C135 K136 E139 F286 N287	L55-T297 HydrophobicContact CD2-CG2 4.31Å; Y56-T297 WeakPolarHBondContact CE1-O 3.35Å; Y56-T297 PolarHBondContact OH-O 2.7Å; C135-T297 PolarHBondContact SG-OG1 3.37Å; K136-T297 HydrophobicContact CB-CG2 4.42Å; E139-T297 HydrophobicContact CG-CG2 4.45Å; F286-T297 CarbonylContact O-C 3.59Å; F286-T297 VanDerWaalsContact O-CA 3.25Å; F286-T297 WeakPolarHBondContact O-CA 3.39Å; N287-T297 WeakPolarHBondContact OD1-CB 3.43Å; N287-T297 WeakPolarHBondContact OD1-CG2 3.38Å; N287-T297 PolarHBondContact OD1-OG1 2.78Å
298	V	98.8	Very high	98.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.9	-178.2	67.3	0	0	0	0	110.3	F286 I288 L309 H313	F286-V298 HydrophobicContact CB-CG1 4.39Å; F286-V298 PolarHBondContact N-O 2.63Å; F286-V298 PolarHBondContact O-N 3.05Å; I288-V298 HydrophobicContact CD1-CG1 4.39Å; V298-L309 HydrophobicContact CG1-CD1 4.15Å; V298-H313 HydrophobicContact CG1-CB 3.95Å
299	E	98.8	Very high	98.5	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	140.4	165.6	-168.4	175.5	179.5	0	0	108.2	L45 R50 I51 F52 T283 K284 L285	L45-E299 HydrophobicContact CD2-CG 4.31Å; R50-E299 WeakPolarHBondContact CA-OE2 3.34Å; R50-E299 WeakPolarHBondContact CB-OE2 3.32Å; R50-E299 PolarHBondContact NH1-O 3.4Å; I51-E299 WeakPolarHBondContact CB-OE1 3.32Å; I51-E299 VanDerWaalsContact N-CD 3.31Å; I51-E299 PolarHBondContact N-OE1 2.84Å; I51-E299 PolarHBondContact N-OE2 2.86Å; F52-E299 HydrophobicContact CD2-CG 4.43Å; F52-E299 PolarHBondContact N-OE2 3.46Å; T283-E299 WeakPolarHBondContact CB-OE1 3.47Å; T283-E299 PolarHBondContact OG1-OE1 3.19Å; K284-E299 CarbonylContact O-C 2.98Å; K284-E299 WeakPolarHBondContact O-CA 3.27Å; L285-E299 HydrophobicContact CD2-CB 3.72Å; L285-E299 HydrophobicContact CD2-CG 4.25Å
300	E	98.7	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	167.8	174.3	-154.4	38.5	-104.3	0	0	110	L45 R50 T283 K284 F286 M302 I304 L309 H313	L45-E300 WeakPolarHBondContact CA-OE1 3.44Å; L45-E300 WeakPolarHBondContact CB-OE1 3.31Å; L45-E300 PolarHBondContact N-OE1 2.85Å; R50-E300 IonicContact CZ-OE2 2.71Å; R50-E300 IonicContact NH1-OE2 3.91Å; R50-E300 IonicContact NH2-OE2 2.67Å; R50-E300 PolarHBondContact NH2-OE2 2.77Å; T283-E300 WeakPolarHBondContact CA-O 3.28Å; K284-E300 PolarHBondContact N-O 3.16Å; K284-E300 PolarHBondContact O-N 2.83Å; F286-E300 HydrophobicContact CD2-CB 3.76Å; F286-E300 HydrophobicContact CE2-CB 3.85Å; E300-M302 PolarHBondContact O-N 3.32Å; E300-I304 HydrophobicContact CG-CD1 3.51Å; E300-I304 HydrophobicContact CG-CG2 4.43Å; E300-L309 HydrophobicContact CB-CD1 4.3Å; E300-L309 HydrophobicContact CG-CD1 4.29Å; E300-H313 IonicContact OE2-CE1 3.53Å; E300-H313 PolarHBondContact OE2-CE1 3.27Å; E300-H313 IonicContact OE2-NE2 3.28Å; E300-H313 PolarHBondContact OE2-NE2 2.83Å
301	E	98.4	Very high	98.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.5	176.5	-157.5	-175.1	168.7	0	0	110.7	K39 G43 L45 F275 G276 I304	K39-E301 IonicContact NZ-OE1 2.75Å; K39-E301 PolarHBondContact NZ-OE1 3.08Å; K39-E301 IonicContact NZ-OE2 3Å; K39-E301 PolarHBondContact NZ-OE2 2.97Å; G43-E301 PolarHBondContact N-OE2 3.43Å; L45-E301 HydrophobicContact CB-CB 4.47Å; F275-E301 WeakPolarHBondContact CA-OE1 3.42Å; F275-E301 HydrophobicContact CB-CG 3.77Å; F275-E301 HydrophobicContact CD1-CG 3.92Å; F275-E301 HydrophobicContact CG-CG 4.25Å; G276-E301 PolarHBondContact N-OE1 3.08Å; E301-I304 WeakPolarHBondContact O-CG2 3.3Å; E301-I304 PolarHBondContact O-N 3.24Å
302	M	97.4	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	153.3	166.3	-76	-74.2	-63.3	0	0	110.4	G276 N280 G282 K284 E300 I304 D348 F349 L359	G276-M302 VanDerWaalsContact CA-O 3.26Å; G276-M302 WeakPolarHBondContact CA-O 3.45Å; N280-M302 HydrophobicContact CB-CE 4.2Å; N280-M302 WeakPolarHBondContact O-CB 3.32Å; G282-M302 WeakPolarHBondContact O-CB 3.14Å; G282-M302 WeakPolarHBondContact O-CG 3.09Å; G282-M302 PolarHBondContact O-N 2.91Å; K284-M302 HydrophobicContact CB-CG 4.18Å; K284-M302 HydrophobicContact CB-SD 3.53Å; K284-M302 VanDerWaalsContact CB-SD 3.53Å; K284-M302 HydrophobicContact CD-SD 4.38Å; K284-M302 HydrophobicContact CG-SD 4.06Å; E300-M302 PolarHBondContact O-N 3.32Å; M302-I304 PolarHBondContact O-N 3.02Å; M302-D348 HydrophobicContact CE-CB 3.71Å; M302-F349 HydrophobicContact CE-CD2 3.79Å; M302-F349 HydrophobicContact CE-CE2 3.81Å; M302-L359 HydrophobicContact CE-CD2 3.77Å; M302-L359 HydrophobicContact SD-CD2 4.17Å
303	S	98.1	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	12	-179.5	-51.7	0	0	0	0	115	F42 R277 L346 M347 D348	F42-S303 WeakPolarHBondContact CB-O 2.96Å; R277-S303 WeakPolarHBondContact CG-OG 3.44Å; R277-S303 PolarHBondContact N-OG 3.16Å; S303-L346 WeakPolarHBondContact O-CD2 3.33Å; S303-M347 PolarHBondContact N-O 2.99Å; S303-M347 VanDerWaalsContact N-O 3.08Å; S303-D348 VanDerWaalsContact CB-OD2 3.31Å; S303-D348 WeakPolarHBondContact CB-OD2 3.48Å; S303-D348 WeakPolarHBondContact OG-CB 3.35Å; S303-D348 PolarHBondContact OG-OD2 3.46Å
304	I	98.2	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.			trans	-58	138.1	166.7	-174.3	171	0	0	0	110.1	F286 E300 E301 M302 L306 E308 L309 M347	F286-I304 HydrophobicContact CE2-CG2 4.18Å; F286-I304 HydrophobicContact CZ-CG2 4.16Å; E300-I304 HydrophobicContact CG-CD1 3.51Å; E300-I304 HydrophobicContact CG-CG2 4.43Å; E301-I304 WeakPolarHBondContact O-CG2 3.3Å; E301-I304 PolarHBondContact O-N 3.24Å; M302-I304 PolarHBondContact O-N 3.02Å; I304-L306 PolarHBondContact O-N 3.43Å; I304-E308 HydrophobicContact CD1-CG 4.36Å; I304-E308 HydrophobicContact CG1-CB 4.38Å; I304-E308 HydrophobicContact CG1-CG 4.48Å; I304-L309 HydrophobicContact CD1-CB 4.18Å; I304-L309 HydrophobicContact CD1-CD1 4.4Å; I304-L309 HydrophobicContact CG1-CB 4.46Å; I304-L309 HydrophobicContact CG2-CB 4.28Å; I304-L309 HydrophobicContact CG2-CD1 4.47Å; I304-M347 HydrophobicContact CG2-CB 4.04Å; I304-M347 WeakPolarHBondContact O-CB 3.35Å; I304-M347 PolarHBondContact O-N 3.31Å
305	P	98.6	Very high	98.4	Very high	35 Å²	35	30.5 Å²	30.5	23%	0.227	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-57.7	135.3	173.1	-23.7	33.8	0	0	0	111.9	R307 E308 L309 L346	P305-R307 VanDerWaalsContact C-N 3.26Å; P305-R307 PolarHBondContact O-N 3.22Å; P305-E308 HydrophobicContact CB-CB 4.02Å; P305-E308 HydrophobicContact CG-CB 4.35Å; P305-E308 PolarHBondContact O-N 2.76Å; P305-E308 VanDerWaalsContact O-N 3.11Å; P305-L309 PolarHBondContact O-N 3.14Å; P305-L346 HydrophobicContact CB-CD2 4.22Å; P305-L346 HydrophobicContact CG-CD2 3.89Å
306	L	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.5	-42.6	-179.5	171.5	59.5	0	0	0	111.9	I304 L309 I310 V327 I337 C342 V345 M347 V364	I304-L306 PolarHBondContact O-N 3.43Å; L306-L309 PolarHBondContact O-N 3.2Å; L306-I310 HydrophobicContact CD1-CD1 3.68Å; L306-I310 HydrophobicContact CD1-CG1 4.14Å; L306-I310 HydrophobicContact CG-CD1 4.04Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.46Å; L306-I310 VanDerWaalsContact O-N 3.09Å; L306-V327 HydrophobicContact CD1-CG1 4.4Å; L306-V327 HydrophobicContact CD2-CB 4.28Å; L306-V327 HydrophobicContact CD2-CG1 4.18Å; L306-V327 HydrophobicContact CD2-CG2 4.4Å; L306-I337 HydrophobicContact CD2-CD1 3.93Å; L306-C342 HydrophobicContact CD2-CB 3.94Å; L306-V345 HydrophobicContact CB-CG1 3.7Å; L306-V345 HydrophobicContact CD2-CG1 3.75Å; L306-V345 HydrophobicContact CG-CG1 4.39Å; L306-V345 PolarHBondContact N-O 3.47Å; L306-M347 HydrophobicContact CB-CG 3.95Å; L306-M347 HydrophobicContact CB-SD 3.81Å; L306-M347 HydrophobicContact CD1-CE 4.41Å; L306-M347 HydrophobicContact CD1-CG 4.21Å; L306-M347 HydrophobicContact CD1-SD 3.6Å; L306-M347 HydrophobicContact CD2-SD 4.46Å; L306-M347 HydrophobicContact CG-SD 4.14Å; L306-V364 HydrophobicContact CD1-CG1 3.74Å; L306-V364 HydrophobicContact CD1-CG2 4.41Å
307	R	98.2	Very high	98.4	Very high	102 Å²	102	25.4 Å²	25.4	39%	0.385	13%	0.125	S	C	.	.	H	α-helix	trans	-60.5	-46.5	176.8	-179.4	173.5	179.1	-171.7	-3.4	112.2	P305 L309 I310 E311 W321	P305-R307 VanDerWaalsContact C-N 3.26Å; P305-R307 PolarHBondContact O-N 3.22Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 3.11Å; R307-I310 PolarHBondContact O-N 2.9Å; R307-E311 HydrophobicContact CG-CG 4.22Å; R307-E311 IonicContact CZ-OE1 3.38Å; R307-E311 IonicContact NE-OE1 2.81Å; R307-E311 PolarHBondContact NE-OE1 3.37Å; R307-E311 IonicContact NE-OE2 3.61Å; R307-E311 IonicContact NH2-OE1 3.02Å; R307-E311 PolarHBondContact NH2-OE1 3Å; R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 WeakPolarHBondContact O-CG 3.48Å; R307-E311 PolarHBondContact O-N 2.93Å; R307-W321 HydrophobicContact CB-CH2 3.62Å; R307-W321 HydrophobicContact CB-CZ2 3.69Å; R307-W321 HydrophobicContact CB-CZ3 4.17Å; R307-W321 HydrophobicContact CG-CD2 3.98Å; R307-W321 HydrophobicContact CG-CE3 4.02Å; R307-W321 HydrophobicContact CG-CH2 3.79Å; R307-W321 HydrophobicContact CG-CZ2 3.71Å; R307-W321 HydrophobicContact CG-CZ3 3.93Å
308	E	98.2	Very high	98.4	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	14%	0.14	S	C	.	.	H	α-helix	trans	-62.3	-44	178.8	-176.2	174.3	170	0	0	110.9	I304 P305 I310 E311 R312	I304-E308 HydrophobicContact CD1-CG 4.36Å; I304-E308 HydrophobicContact CG1-CB 4.38Å; I304-E308 HydrophobicContact CG1-CG 4.48Å; P305-E308 HydrophobicContact CB-CB 4.02Å; P305-E308 HydrophobicContact CG-CB 4.35Å; P305-E308 PolarHBondContact O-N 2.76Å; P305-E308 VanDerWaalsContact O-N 3.11Å; E308-I310 PolarHBondContact O-N 3.36Å; E308-E311 PolarHBondContact O-N 2.99Å; E308-R312 WeakPolarHBondContact O-CB 3.22Å; E308-R312 PolarHBondContact O-N 3.23Å; E308-R312 IonicContact OE1-NH1 2.72Å
309	L	98.6	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-49	176.6	178.7	66.1	0	0	0	111.8	F286 I288 V298 E300 I304 P305 L306 R307 H313 M347 V364	F286-L309 HydrophobicContact CB-CD1 4.3Å; F286-L309 HydrophobicContact CB-CD2 4.01Å; F286-L309 HydrophobicContact CD1-CD2 3.59Å; F286-L309 HydrophobicContact CD2-CD1 4.14Å; F286-L309 HydrophobicContact CD2-CD2 4.24Å; F286-L309 HydrophobicContact CE1-CD2 4.13Å; F286-L309 HydrophobicContact CG-CD1 4.19Å; F286-L309 HydrophobicContact CG-CD2 3.67Å; I288-L309 HydrophobicContact CD1-CD1 4.09Å; I288-L309 HydrophobicContact CD1-CG 3.88Å; I288-L309 HydrophobicContact CG1-CG 4.44Å; V298-L309 HydrophobicContact CG1-CD1 4.15Å; E300-L309 HydrophobicContact CB-CD1 4.3Å; E300-L309 HydrophobicContact CG-CD1 4.29Å; I304-L309 HydrophobicContact CD1-CB 4.18Å; I304-L309 HydrophobicContact CD1-CD1 4.4Å; I304-L309 HydrophobicContact CG1-CB 4.46Å; I304-L309 HydrophobicContact CG2-CB 4.28Å; I304-L309 HydrophobicContact CG2-CD1 4.47Å; P305-L309 PolarHBondContact O-N 3.14Å; L306-L309 PolarHBondContact O-N 3.2Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 3.11Å; L309-H313 WeakPolarHBondContact O-CB 3.46Å; L309-H313 PolarHBondContact O-N 3.33Å; L309-M347 HydrophobicContact CD2-CG 4.05Å; L309-V364 HydrophobicContact CD2-CG2 4.27Å
310	I	98.8	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-49.5	-179.4	-67.8	168.6	0	0	0	111.6	I288 V292 L306 R307 E308 R312 A314 G315 G316 V317 W321 V327 V364 V366	I288-I310 HydrophobicContact CG2-CG1 4.39Å; V292-I310 HydrophobicContact CG1-CG2 4.03Å; L306-I310 HydrophobicContact CD1-CD1 3.68Å; L306-I310 HydrophobicContact CD1-CG1 4.14Å; L306-I310 HydrophobicContact CG-CD1 4.04Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.46Å; L306-I310 VanDerWaalsContact O-N 3.09Å; R307-I310 PolarHBondContact O-N 2.9Å; E308-I310 PolarHBondContact O-N 3.36Å; I310-R312 VanDerWaalsContact C-N 3.33Å; I310-R312 PolarHBondContact O-N 3.27Å; I310-A314 CarbonylContact O-C 3.55Å; I310-A314 WeakPolarHBondContact O-CA 3.44Å; I310-A314 WeakPolarHBondContact O-CB 3.46Å; I310-A314 PolarHBondContact O-N 2.8Å; I310-A314 VanDerWaalsContact O-N 3.14Å; I310-G315 PolarHBondContact O-N 2.88Å; I310-G316 PolarHBondContact O-N 2.55Å; I310-V317 HydrophobicContact CG2-CG2 4.06Å; I310-W321 HydrophobicContact CB-CZ3 4.09Å; I310-W321 HydrophobicContact CD1-CH2 4.19Å; I310-W321 HydrophobicContact CD1-CZ3 3.93Å; I310-W321 HydrophobicContact CG2-CZ3 4.1Å; I310-V327 HydrophobicContact CD1-CG2 4.34Å; I310-V364 HydrophobicContact CD1-CG1 4.24Å; I310-V364 HydrophobicContact CG1-CG1 4.44Å; I310-V366 HydrophobicContact CD1-CG2 3.79Å; I310-V366 HydrophobicContact CG1-CG2 4.29Å
311	E	98.3	Very high	98.3	Very high	81 Å²	81	35.5 Å²	35.5	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-40.3	-177.3	-73.3	-176.8	169.3	0	0	111.4	R307 E308 W321	R307-E311 HydrophobicContact CG-CG 4.22Å; R307-E311 IonicContact CZ-OE1 3.38Å; R307-E311 IonicContact NE-OE1 2.81Å; R307-E311 PolarHBondContact NE-OE1 3.37Å; R307-E311 IonicContact NE-OE2 3.61Å; R307-E311 IonicContact NH2-OE1 3.02Å; R307-E311 PolarHBondContact NH2-OE1 3Å; R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 WeakPolarHBondContact O-CG 3.48Å; R307-E311 PolarHBondContact O-N 2.93Å; E308-E311 PolarHBondContact O-N 2.99Å; E311-W321 HydrophobicContact CG-CE3 4.32Å
312	R	98.1	Very high	98.3	Very high	139 Å²	139	39.4 Å²	39.4	53%	0.525	22%	0.218	S	C	.	.	H	α-helix	trans	-77.7	-51.1	-176.2	-174.7	177.8	-171.3	120.2	8.2	113.5	E308 I310	E308-R312 WeakPolarHBondContact O-CB 3.22Å; E308-R312 PolarHBondContact O-N 3.23Å; E308-R312 IonicContact OE1-NH1 2.72Å; I310-R312 VanDerWaalsContact C-N 3.33Å; I310-R312 PolarHBondContact O-N 3.27Å
313	H	98.4	Very high	98.4	Very high	44 Å²	44	41.6 Å²	41.6	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-98	-25.8	-167.9	-63.8	-83.6	0	0	0	113.7	I288 C296 V298 E300 L309	I288-H313 HydrophobicContact CD1-CB 4.09Å; C296-H313 PolarHBondContact SG-O 2.82Å; V298-H313 HydrophobicContact CG1-CB 3.95Å; E300-H313 IonicContact OE2-CE1 3.53Å; E300-H313 PolarHBondContact OE2-CE1 3.27Å; E300-H313 IonicContact OE2-NE2 3.28Å; E300-H313 PolarHBondContact OE2-NE2 2.83Å; L309-H313 WeakPolarHBondContact O-CB 3.46Å; L309-H313 PolarHBondContact O-N 3.33Å
314	A	98.4	Very high	98.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-106.7	6.8	179.3	0	0	0	0	0	113.7	I288 V292 N293 F294 I310 G316	I288-A314 HydrophobicContact CB-CB 4.1Å; I288-A314 HydrophobicContact CD1-CB 3.93Å; I288-A314 HydrophobicContact CG2-CB 3.6Å; V292-A314 HydrophobicContact CB-CB 3.92Å; V292-A314 HydrophobicContact CG1-CB 4.14Å; V292-A314 HydrophobicContact CG2-CB 3.98Å; N293-A314 PolarHBondContact N-O 3.11Å; F294-A314 PolarHBondContact N-O 3.26Å; F294-A314 VanDerWaalsContact O-CA 3.27Å; F294-A314 WeakPolarHBondContact O-CA 3.38Å; I310-A314 CarbonylContact O-C 3.55Å; I310-A314 WeakPolarHBondContact O-CA 3.44Å; I310-A314 WeakPolarHBondContact O-CB 3.46Å; I310-A314 PolarHBondContact O-N 2.8Å; I310-A314 VanDerWaalsContact O-N 3.14Å; A314-G316 PolarHBondContact O-N 2.8Å
315	G	98.3	Very high	98.4	Very high	34 Å²	34	43.1 Å²	43.1	35%	0.351	24%	0.238	S	C	.	.			trans	66.2	21	-178.5	0	0	0	0	0	114.1	N293 I310	N293-G315 PolarHBondContact ND2-O 2.99Å; I310-G315 PolarHBondContact O-N 2.88Å
316	G	98.4	Very high	98.4	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	23%	0.227	C	C	.	.	S	Bend	trans	83.8	172.2	-179.4	0	0	0	0	0	115	V292 N293 I310 A314	V292-G316 WeakPolarHBondContact CA-O 3.36Å; N293-G316 PolarHBondContact N-O 3.27Å; N293-G316 PolarHBondContact ND2-O 3.36Å; I310-G316 PolarHBondContact O-N 2.55Å; A314-G316 PolarHBondContact O-N 2.8Å
317	V	98.8	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-68.9	144.1	175.1	-176.6	0	0	0	0	109.4	I310 G319 G320 W321 L324 V366 D368	I310-V317 HydrophobicContact CG2-CG2 4.06Å; V317-G319 PolarHBondContact O-N 3.25Å; V317-G320 PolarHBondContact O-N 3.27Å; V317-W321 HydrophobicContact CG2-CE3 3.75Å; V317-W321 HydrophobicContact CG2-CZ3 4.03Å; V317-L324 HydrophobicContact CG1-CB 4.4Å; V317-L324 HydrophobicContact CG1-CD1 4.36Å; V317-L324 HydrophobicContact CG2-CB 4.29Å; V317-L324 HydrophobicContact CG2-CD1 4.05Å; V317-V366 HydrophobicContact CG1-CG1 4.24Å; V317-V366 HydrophobicContact CG2-CG1 4.07Å; V317-D368 HydrophobicContact CG1-CB 4.16Å
318	R	98.4	Very high	98.4	Very high	109 Å²	109	36.8 Å²	36.8	41%	0.411	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	123.2	174.4	-175.7	176.8	65.7	-178.6	0.8	110	H291 G320 N323 D368 S370	H291-R318 PolarHBondContact O-N 3.46Å; R318-G320 VanDerWaalsContact C-N 3.33Å; R318-N323 PolarHBondContact O-ND2 2.73Å; R318-D368 IonicContact CZ-OD2 2.73Å; R318-D368 IonicContact NE-OD2 3.94Å; R318-D368 PolarHBondContact NE-OD2 3.18Å; R318-D368 IonicContact NH2-OD1 2.9Å; R318-D368 PolarHBondContact NH2-OD1 3.25Å; R318-D368 IonicContact NH2-OD2 3.77Å; R318-D368 PolarHBondContact NH2-OD2 3.1Å; R318-S370 PolarHBondContact NH2-OG 3.32Å
319	G	97.9	Very high	98.4	Very high	64 Å²	64	33.8 Å²	33.8	66%	0.66	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	10.7	-175.7	0	0	0	0	0	115.2	V317	V317-G319 PolarHBondContact O-N 3.25Å
320	G	98.3	Very high	98.3	Very high	33 Å²	33	33.8 Å²	33.8	34%	0.34	20%	0.196	S	C	.	.			trans	92.7	163.3	177.3	0	0	0	0	0	113.8	V317 R318 S322 N323	V317-G320 PolarHBondContact O-N 3.27Å; R318-G320 VanDerWaalsContact C-N 3.33Å; G320-S322 PolarHBondContact O-N 3.27Å; G320-N323 VanDerWaalsContact O-CB 3.31Å; G320-N323 WeakPolarHBondContact O-CB 3.37Å; G320-N323 PolarHBondContact O-N 3.38Å
321	W	98.4	Very high	98.2	Very high	29 Å²	29	33.8 Å²	33.8	11%	0.11	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.7	-33.9	-175.4	-171.8	-102.9	0	0	0	113.1	R307 I310 E311 V317 N323 L324 Q339 C342 N343	R307-W321 HydrophobicContact CB-CH2 3.62Å; R307-W321 HydrophobicContact CB-CZ2 3.69Å; R307-W321 HydrophobicContact CB-CZ3 4.17Å; R307-W321 HydrophobicContact CG-CD2 3.98Å; R307-W321 HydrophobicContact CG-CE3 4.02Å; R307-W321 HydrophobicContact CG-CH2 3.79Å; R307-W321 HydrophobicContact CG-CZ2 3.71Å; R307-W321 HydrophobicContact CG-CZ3 3.93Å; I310-W321 HydrophobicContact CB-CZ3 4.09Å; I310-W321 HydrophobicContact CD1-CH2 4.19Å; I310-W321 HydrophobicContact CD1-CZ3 3.93Å; I310-W321 HydrophobicContact CG2-CZ3 4.1Å; E311-W321 HydrophobicContact CG-CE3 4.32Å; V317-W321 HydrophobicContact CG2-CE3 3.75Å; V317-W321 HydrophobicContact CG2-CZ3 4.03Å; W321-N323 PolarHBondContact O-N 2.9Å; W321-L324 HydrophobicContact CH2-CD2 3.79Å; W321-L324 HydrophobicContact CZ2-CD2 3.77Å; W321-L324 HydrophobicContact CZ3-CD2 4.18Å; W321-L324 WeakPolarHBondContact O-CB 3.44Å; W321-L324 PolarHBondContact O-N 3.46Å; W321-Q339 PolarHBondContact O-NE2 2.95Å; W321-C342 HydrophobicContact CH2-CB 4.35Å; W321-C342 HydrophobicContact CZ2-CB 4.08Å; W321-N343 PolarHBondContact NE1-OD1 3.33Å
322	S	98	Very high	98.1	Very high	85 Å²	85	30 Å²	30	59%	0.594	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-63.2	-19.9	176.5	57.6	0	0	0	0	113.5	G320 L324 K369	G320-S322 PolarHBondContact O-N 3.27Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-K369 WeakPolarHBondContact O-CE 3.41Å; S322-K369 PolarHBondContact O-NZ 2.93Å
323	N	98.5	Very high	98.1	Very high	46 Å²	46	24.3 Å²	24.3	25%	0.246	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-85.3	-0.7	176.2	-163.2	35.9	0	0	0	113.3	R318 G320 W321 L325 D368 K369	R318-N323 PolarHBondContact O-ND2 2.73Å; G320-N323 VanDerWaalsContact O-CB 3.31Å; G320-N323 WeakPolarHBondContact O-CB 3.37Å; G320-N323 PolarHBondContact O-N 3.38Å; W321-N323 PolarHBondContact O-N 2.9Å; N323-L325 PolarHBondContact O-N 2.99Å; N323-D368 CarbonylContact O-C 3.5Å; N323-D368 VanDerWaalsContact O-CA 3.28Å; N323-D368 WeakPolarHBondContact O-CA 3.49Å; N323-D368 WeakPolarHBondContact O-CB 3.41Å; N323-K369 WeakPolarHBondContact O-CG 3.46Å; N323-K369 PolarHBondContact O-N 2.88Å
324	L	98.8	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.2	176.3	-174.9	63.2	0	0	0	111.2	V317 W321 S322 V327 Q339 C342 V366 M367 K369	V317-L324 HydrophobicContact CG1-CB 4.4Å; V317-L324 HydrophobicContact CG1-CD1 4.36Å; V317-L324 HydrophobicContact CG2-CB 4.29Å; V317-L324 HydrophobicContact CG2-CD1 4.05Å; W321-L324 HydrophobicContact CH2-CD2 3.79Å; W321-L324 HydrophobicContact CZ2-CD2 3.77Å; W321-L324 HydrophobicContact CZ3-CD2 4.18Å; W321-L324 WeakPolarHBondContact O-CB 3.44Å; W321-L324 PolarHBondContact O-N 3.46Å; S322-L324 VanDerWaalsContact C-N 3.32Å; L324-V327 HydrophobicContact CD1-CG2 3.78Å; L324-V327 HydrophobicContact CD2-CG2 4.1Å; L324-V327 HydrophobicContact CG-CG2 4.47Å; L324-Q339 HydrophobicContact CB-CB 4.36Å; L324-Q339 HydrophobicContact CB-CG 4.1Å; L324-Q339 HydrophobicContact CD2-CB 4.24Å; L324-Q339 HydrophobicContact CD2-CG 4.14Å; L324-Q339 HydrophobicContact CG-CB 4.25Å; L324-Q339 HydrophobicContact CG-CG 4.37Å; L324-C342 HydrophobicContact CD2-CB 3.99Å; L324-V366 HydrophobicContact CD1-CG1 3.7Å; L324-M367 WeakPolarHBondContact CD1-O 3.21Å; L324-K369 WeakPolarHBondContact O-CE 3.3Å
325	L	98.6	Very high	98.1	Very high	32 Å²	32	22.6 Å²	22.6	17%	0.168	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-54.8	169.5	-178.5	65.3	0	0	0	110.1	N323 Q339 M367 D368 K369 V373 F452	N323-L325 PolarHBondContact O-N 2.99Å; L325-Q339 PolarHBondContact O-N 2.78Å; L325-M367 VanDerWaalsContact CB-O 3.32Å; L325-M367 WeakPolarHBondContact CB-O 3.42Å; L325-M367 PolarHBondContact N-O 2.89Å; L325-D368 WeakPolarHBondContact CB-O 3.38Å; L325-K369 HydrophobicContact CB-CG 4.28Å; L325-K369 HydrophobicContact CD1-CG 4.47Å; L325-V373 HydrophobicContact CD2-CB 3.88Å; L325-V373 HydrophobicContact CD2-CG1 4.36Å; L325-F452 HydrophobicContact CD1-CE1 3.74Å; L325-F452 HydrophobicContact CG-CE1 3.92Å; L325-F452 HydrophobicContact CG-CZ 4.28Å
326	G	98.4	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	171.8	179.1	0	0	0	0	0	112	I337 M367	G326-I337 CarbonylContact C-O 3.5Å; G326-I337 WeakPolarHBondContact CA-O 3.47Å; G326-M367 PolarHBondContact N-O 3.08Å; G326-M367 PolarHBondContact O-N 3.12Å
327	V	98.9	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.5	-177.5	-179.8	0	0	0	0	109.1	L306 I310 L324 P329 I336 I337 V364 I365 V366	L306-V327 HydrophobicContact CD1-CG1 4.4Å; L306-V327 HydrophobicContact CD2-CB 4.28Å; L306-V327 HydrophobicContact CD2-CG1 4.18Å; L306-V327 HydrophobicContact CD2-CG2 4.4Å; I310-V327 HydrophobicContact CD1-CG2 4.34Å; L324-V327 HydrophobicContact CD1-CG2 3.78Å; L324-V327 HydrophobicContact CD2-CG2 4.1Å; L324-V327 HydrophobicContact CG-CG2 4.47Å; V327-P329 WeakPolarHBondContact O-CD 3.48Å; V327-I336 WeakPolarHBondContact O-CA 3.28Å; V327-I337 HydrophobicContact CB-CG1 4.41Å; V327-I337 PolarHBondContact N-O 3.36Å; V327-I337 VanDerWaalsContact O-CG1 3.22Å; V327-I337 WeakPolarHBondContact O-CG1 3.21Å; V327-I337 PolarHBondContact O-N 3.46Å; V327-V364 HydrophobicContact CG1-CG1 3.49Å; V327-V364 VanDerWaalsContact CG1-CG1 3.49Å; V327-I365 WeakPolarHBondContact CA-O 3.37Å; V327-V366 HydrophobicContact CG2-CG2 4.4Å
328	I	98.8	Very high	98.1	Very high	3 Å²	3	21 Å²	21	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.1	161.8	-64.7	167.5	0	0	0	106.1	G331 T334 I336 V364 I365 M367 I377 L380	I328-G331 WeakPolarHBondContact CG2-O 3.37Å; I328-T334 WeakPolarHBondContact CG2-O 3.32Å; I328-T334 VanDerWaalsContact CG2-OG1 3.3Å; I328-T334 WeakPolarHBondContact CG2-OG1 3.5Å; I328-I336 HydrophobicContact CG1-CB 3.94Å; I328-I336 HydrophobicContact CG1-CG1 4.29Å; I328-V364 CarbonylContact O-C 3.32Å; I328-V364 WeakPolarHBondContact O-CA 3.41Å; I328-I365 HydrophobicContact CB-CB 4.17Å; I328-I365 HydrophobicContact CB-CD1 4.48Å; I328-I365 HydrophobicContact CG2-CD1 4.42Å; I328-I365 PolarHBondContact N-O 3.09Å; I328-I365 PolarHBondContact O-N 2.71Å; I328-M367 HydrophobicContact CD1-CE 3.82Å; I328-M367 HydrophobicContact CG1-CE 3.77Å; I328-I377 HydrophobicContact CD1-CD1 4.15Å; I328-L380 HydrophobicContact CD1-CD1 3.68Å
329	P	98.1	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	13%	0.125	C	C	.	.			trans	-82.1	-19.6	-164.8	30	-33.8	0	0	0	114.2	V327 I337 M347 L352 T357 A363	V327-P329 WeakPolarHBondContact O-CD 3.48Å; P329-I337 HydrophobicContact CG-CD1 4.38Å; P329-I337 HydrophobicContact CG-CG1 4.45Å; P329-M347 HydrophobicContact CB-CE 4.24Å; P329-M347 HydrophobicContact CB-SD 4.41Å; P329-M347 WeakPolarHBondContact O-CE 3.25Å; P329-L352 HydrophobicContact CB-CD1 4.1Å; P329-L352 HydrophobicContact CB-CD2 3.9Å; P329-L352 HydrophobicContact CG-CD1 4.42Å; P329-L352 HydrophobicContact CG-CD2 3.91Å; P329-T357 HydrophobicContact CG-CG2 3.75Å; P329-T357 WeakPolarHBondContact CG-OG1 3.26Å; P329-A363 CarbonylContact C-O 3.55Å
330	G	96	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-133.8	28.7	-164.5	0	0	0	0	0	117.1	T334 L359 G360 T361 A363	G330-T334 WeakPolarHBondContact CA-OG1 3.41Å; G330-T334 PolarHBondContact N-OG1 2.9Å; G330-L359 WeakPolarHBondContact CA-O 3.4Å; G330-G360 CarbonylContact O-C 3.52Å; G330-G360 VanDerWaalsContact O-CA 3.25Å; G330-G360 WeakPolarHBondContact O-CA 3.44Å; G330-T361 PolarHBondContact O-N 2.93Å; G330-A363 PolarHBondContact N-O 3.39Å
331	G	96.4	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	87.8	163.9	-168.7	0	0	0	0	0	111.4	E131 I328 S333 T334 A363	E131-G331 VanDerWaalsContact OE1-C 3.29Å; I328-G331 WeakPolarHBondContact CG2-O 3.37Å; G331-S333 PolarHBondContact O-N 2.89Å; G331-T334 PolarHBondContact O-N 2.94Å; G331-T334 PolarHBondContact O-OG1 3.19Å; G331-A363 PolarHBondContact N-O 3.41Å
332	S	96.9	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.9	-172.2	55.1	0	0	0	0	114.9	E131 P132 T334 Y384 P444	E131-S332 PolarHBondContact OE1-N 3.13Å; E131-S332 PolarHBondContact OE1-OG 2.81Å; P132-S332 WeakPolarHBondContact CD-OG 3.49Å; P132-S332 WeakPolarHBondContact CG-OG 3.33Å; P132-S332 PolarHBondContact O-N 3.46Å; S332-T334 PolarHBondContact O-N 2.7Å; S332-Y384 PolarHBondContact OG-OH 3.33Å; S332-P444 WeakPolarHBondContact O-CG 3.44Å
333	S	96.4	Very high	97.8	Very high	20 Å²	20	18.9 Å²	18.9	14%	0.14	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.2	178.7	49.1	0	0	0	0	113	E131 G331 Y384 W443	E131-S333 VanDerWaalsContact OE1-CB 3.27Å; E131-S333 WeakPolarHBondContact OE1-CB 3.33Å; E131-S333 PolarHBondContact OE1-N 2.88Å; E131-S333 PolarHBondContact OE1-OG 3.49Å; G331-S333 PolarHBondContact O-N 2.89Å; S333-Y384 WeakPolarHBondContact CA-OH 3.46Å; S333-Y384 WeakPolarHBondContact CB-OH 3.46Å; S333-Y384 PolarHBondContact N-OH 2.89Å; S333-W443 WeakPolarHBondContact O-CB 3.48Å
334	T	98	Very high	97.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.12	C	C	.	.	S	Bend	trans	-95	142.5	-172.5	64.1	0	0	0	0	112.4	I328 G330 G331 S332 I336 A358	I328-T334 WeakPolarHBondContact CG2-O 3.32Å; I328-T334 VanDerWaalsContact CG2-OG1 3.3Å; I328-T334 WeakPolarHBondContact CG2-OG1 3.5Å; G330-T334 WeakPolarHBondContact CA-OG1 3.41Å; G330-T334 PolarHBondContact N-OG1 2.9Å; G331-T334 PolarHBondContact O-N 2.94Å; G331-T334 PolarHBondContact O-OG1 3.19Å; S332-T334 PolarHBondContact O-N 2.7Å; T334-I336 PolarHBondContact O-N 3.42Å; T334-A358 HydrophobicContact CG2-CB 3.93Å; T334-A358 WeakPolarHBondContact CG2-O 2.99Å
335	P	98.6	Very high	97.5	Very high	7 Å²	7	23 Å²	23	5%	0.045	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-56.8	137.5	175.2	-25.3	33.2	0	0	0	112.5	T357 W443	P335-T357 WeakPolarHBondContact CD-OG1 3.41Å; P335-T357 WeakPolarHBondContact O-CB 3.37Å; P335-T357 PolarHBondContact O-OG1 2.89Å; P335-W443 HydrophobicContact CG-CB 3.93Å; P335-W443 HydrophobicContact CG-CG 4.4Å
336	I	98.6	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-60.8	139.5	168.7	-172.7	177.6	0	0	0	110.4	V327 I328 T334 M367 V373 H451 F452	V327-I336 WeakPolarHBondContact O-CA 3.28Å; I328-I336 HydrophobicContact CG1-CB 3.94Å; I328-I336 HydrophobicContact CG1-CG1 4.29Å; T334-I336 PolarHBondContact O-N 3.42Å; I336-M367 HydrophobicContact CD1-CE 3.31Å; I336-M367 HydrophobicContact CD1-SD 4.39Å; I336-M367 HydrophobicContact CG1-CE 3.87Å; I336-V373 HydrophobicContact CD1-CG2 3.68Å; I336-H451 PolarHBondContact O-CD2 3.23Å; I336-F452 HydrophobicContact CD1-CD2 4.48Å; I336-F452 HydrophobicContact CD1-CE2 3.63Å; I336-F452 HydrophobicContact CD1-CZ 4.03Å; I336-F452 HydrophobicContact CG1-CE2 4.15Å; I336-F452 HydrophobicContact CG2-CD2 4.24Å; I336-F452 HydrophobicContact CG2-CE2 3.95Å
337	I	98.6	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137	170.4	48.1	167.4	0	0	0	110.5	L306 G326 V327 P329 V341 C342 V345 L352 T357	L306-I337 HydrophobicContact CD2-CD1 3.93Å; G326-I337 CarbonylContact C-O 3.5Å; G326-I337 WeakPolarHBondContact CA-O 3.47Å; V327-I337 HydrophobicContact CB-CG1 4.41Å; V327-I337 PolarHBondContact N-O 3.36Å; V327-I337 VanDerWaalsContact O-CG1 3.22Å; V327-I337 WeakPolarHBondContact O-CG1 3.21Å; V327-I337 PolarHBondContact O-N 3.46Å; P329-I337 HydrophobicContact CG-CD1 4.38Å; P329-I337 HydrophobicContact CG-CG1 4.45Å; I337-V341 HydrophobicContact CB-CB 4.23Å; I337-V341 HydrophobicContact CB-CG1 4.09Å; I337-V341 HydrophobicContact CD1-CG1 4.38Å; I337-V341 HydrophobicContact CG2-CG1 4.08Å; I337-C342 PolarHBondContact O-SG 3.49Å; I337-V345 HydrophobicContact CD1-CG1 3.93Å; I337-L352 HydrophobicContact CD1-CD2 4.45Å; I337-T357 HydrophobicContact CG2-CG2 3.61Å
338	P	98.3	Very high	97.5	Very high	10 Å²	10	23.1 Å²	23.1	7%	0.065	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	162.5	-179.4	32.1	-36.1	0	0	0	111.3	H340 V341 C342 H451 F452	P338-H340 WeakPolarHBondContact CG-CE1 3.48Å; P338-H340 PolarHBondContact O-N 3.08Å; P338-H340 VanDerWaalsContact O-N 3.1Å; P338-V341 HydrophobicContact CG-CB 4.4Å; P338-V341 HydrophobicContact CG-CG2 3.88Å; P338-V341 PolarHBondContact O-N 2.77Å; P338-C342 PolarHBondContact O-N 2.92Å; P338-C342 VanDerWaalsContact O-N 3.08Å; P338-C342 PolarHBondContact O-SG 3.36Å; P338-H451 HydrophobicContact CG-CB 4.31Å; P338-F452 HydrophobicContact CB-CZ 4.4Å
339	Q	98	Very high	97.4	Very high	49 Å²	49	23.3 Å²	23.3	23%	0.229	12%	0.122	C	C	.	.	H	α-helix	trans	-47.5	-42.4	-178.6	179.4	-177.1	42.2	0	0	114.1	W321 L324 L325 V341 C342 N343	W321-Q339 PolarHBondContact O-NE2 2.95Å; L324-Q339 HydrophobicContact CB-CB 4.36Å; L324-Q339 HydrophobicContact CB-CG 4.1Å; L324-Q339 HydrophobicContact CD2-CB 4.24Å; L324-Q339 HydrophobicContact CD2-CG 4.14Å; L324-Q339 HydrophobicContact CG-CB 4.25Å; L324-Q339 HydrophobicContact CG-CG 4.37Å; L325-Q339 PolarHBondContact O-N 2.78Å; Q339-V341 VanDerWaalsContact C-N 3.3Å; Q339-V341 PolarHBondContact O-N 3.12Å; Q339-C342 WeakPolarHBondContact O-CB 3.45Å; Q339-C342 PolarHBondContact O-N 3.13Å; Q339-C342 VanDerWaalsContact O-N 3.13Å; Q339-N343 PolarHBondContact O-N 3.4Å; Q339-N343 PolarHBondContact O-OD1 3.05Å
340	H	97.1	Very high	97.4	Very high	127 Å²	127	25.3 Å²	25.3	59%	0.588	13%	0.133	S	C	*	.	H	α-helix	trans	-64.7	-32.9	-177.8	67.2	-94.8	0	0	0	113.1	P338	P338-H340 WeakPolarHBondContact CG-CE1 3.48Å; P338-H340 PolarHBondContact O-N 3.08Å; P338-H340 VanDerWaalsContact O-N 3.1Å
341	V	97.8	Very high	97.4	Very high	36 Å²	36	25.5 Å²	25.5	22%	0.218	13%	0.134	C	C	.	.	H	α-helix	trans	-75.5	-37.7	173.1	178.4	0	0	0	0	110.5	I337 P338 Q339 N343 D344 V345 A355	I337-V341 HydrophobicContact CB-CB 4.23Å; I337-V341 HydrophobicContact CB-CG1 4.09Å; I337-V341 HydrophobicContact CD1-CG1 4.38Å; I337-V341 HydrophobicContact CG2-CG1 4.08Å; P338-V341 HydrophobicContact CG-CB 4.4Å; P338-V341 HydrophobicContact CG-CG2 3.88Å; P338-V341 PolarHBondContact O-N 2.77Å; Q339-V341 VanDerWaalsContact C-N 3.3Å; Q339-V341 PolarHBondContact O-N 3.12Å; V341-N343 PolarHBondContact O-N 2.83Å; V341-D344 PolarHBondContact O-N 3.04Å; V341-V345 PolarHBondContact O-N 2.93Å; V341-A355 HydrophobicContact CG1-CB 3.86Å
342	C	97.4	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-22.4	180	-61.3	0	0	0	0	113.6	L306 W321 L324 I337 P338 Q339 D344	L306-C342 HydrophobicContact CD2-CB 3.94Å; W321-C342 HydrophobicContact CH2-CB 4.35Å; W321-C342 HydrophobicContact CZ2-CB 4.08Å; L324-C342 HydrophobicContact CD2-CB 3.99Å; I337-C342 PolarHBondContact O-SG 3.49Å; P338-C342 PolarHBondContact O-N 2.92Å; P338-C342 VanDerWaalsContact O-N 3.08Å; P338-C342 PolarHBondContact O-SG 3.36Å; Q339-C342 WeakPolarHBondContact O-CB 3.45Å; Q339-C342 PolarHBondContact O-N 3.13Å; Q339-C342 VanDerWaalsContact O-N 3.13Å; C342-D344 VanDerWaalsContact C-N 3.3Å; C342-D344 PolarHBondContact O-N 3.06Å
343	N	96	Very high	97.5	Very high	64 Å²	64	30.1 Å²	30.1	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.2	179.9	-71.5	-27.1	0	0	0	112.9	W321 Q339 V341	W321-N343 PolarHBondContact NE1-OD1 3.33Å; Q339-N343 PolarHBondContact O-N 3.4Å; Q339-N343 PolarHBondContact O-OD1 3.05Å; V341-N343 PolarHBondContact O-N 2.83Å
344	D	93.7	Very high	97.6	Very high	130 Å²	130	36.7 Å²	36.7	70%	0.695	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-10.6	-166.4	-57.2	-49.2	0	0	0	113.5	V341 C342	V341-D344 PolarHBondContact O-N 3.04Å; C342-D344 VanDerWaalsContact C-N 3.3Å; C342-D344 PolarHBondContact O-N 3.06Å
345	V	97.8	Very high	97.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	19%	0.19	C	C	.	.			trans	-76.5	139.2	-173.5	77.7	0	0	0	0	112.5	L306 I337 V341 L352 A355	L306-V345 HydrophobicContact CB-CG1 3.7Å; L306-V345 HydrophobicContact CD2-CG1 3.75Å; L306-V345 HydrophobicContact CG-CG1 4.39Å; L306-V345 PolarHBondContact N-O 3.47Å; I337-V345 HydrophobicContact CD1-CG1 3.93Å; V341-V345 PolarHBondContact O-N 2.93Å; V345-L352 HydrophobicContact CG1-CD2 4.34Å; V345-L352 HydrophobicContact CG2-CD2 3.55Å; V345-L352 HydrophobicContact CG2-CG 4.24Å; V345-A355 HydrophobicContact CG2-CB 4.03Å
346	L	98.4	Very high	97.5	Very high	33 Å²	33	42.8 Å²	42.8	17%	0.173	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-92	143.3	172	-54.6	-177.7	0	0	0	110.6	F42 S303 P305 D348 D351	F42-L346 HydrophobicContact CD2-CD1 4.49Å; S303-L346 WeakPolarHBondContact O-CD2 3.33Å; P305-L346 HydrophobicContact CB-CD2 4.22Å; P305-L346 HydrophobicContact CG-CD2 3.89Å; L346-D348 PolarHBondContact O-N 2.83Å; L346-D351 HydrophobicContact CB-CB 3.99Å; L346-D351 PolarHBondContact N-OD2 2.95Å
347	M	98.4	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-81.4	70.8	177.4	-67.5	-57.2	-67	0	0	111.4	F286 S303 I304 L306 L309 P329 L352 L359 V364	F286-M347 HydrophobicContact CD1-CE 4.12Å; F286-M347 HydrophobicContact CE1-CB 3.65Å; F286-M347 HydrophobicContact CE1-CE 3.88Å; F286-M347 HydrophobicContact CE1-CG 4.26Å; F286-M347 HydrophobicContact CZ-CB 3.87Å; S303-M347 PolarHBondContact N-O 2.99Å; S303-M347 VanDerWaalsContact N-O 3.08Å; I304-M347 HydrophobicContact CG2-CB 4.04Å; I304-M347 WeakPolarHBondContact O-CB 3.35Å; I304-M347 PolarHBondContact O-N 3.31Å; L306-M347 HydrophobicContact CB-CG 3.95Å; L306-M347 HydrophobicContact CB-SD 3.81Å; L306-M347 HydrophobicContact CD1-CE 4.41Å; L306-M347 HydrophobicContact CD1-CG 4.21Å; L306-M347 HydrophobicContact CD1-SD 3.6Å; L306-M347 HydrophobicContact CD2-SD 4.46Å; L306-M347 HydrophobicContact CG-SD 4.14Å; L309-M347 HydrophobicContact CD2-CG 4.05Å; P329-M347 HydrophobicContact CB-CE 4.24Å; P329-M347 HydrophobicContact CB-SD 4.41Å; P329-M347 WeakPolarHBondContact O-CE 3.25Å; M347-L352 HydrophobicContact CE-CD1 4.32Å; M347-L352 HydrophobicContact SD-CD1 4.22Å; M347-L359 HydrophobicContact CE-CD1 3.93Å; M347-V364 HydrophobicContact CE-CG2 3.6Å
348	D	97.8	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-143.1	173.6	169.5	70	49.8	0	0	0	112.7	R277 N280 M302 S303 L346 D350 D351 L352	R277-D348 IonicContact CZ-OD1 2.83Å; R277-D348 IonicContact CZ-OD2 3.19Å; R277-D348 VanDerWaalsContact CZ-OD2 3.24Å; R277-D348 IonicContact NE-OD2 3.8Å; R277-D348 PolarHBondContact NE-OD2 3.33Å; R277-D348 IonicContact NH2-OD1 3.33Å; R277-D348 PolarHBondContact NH2-OD1 2.89Å; R277-D348 IonicContact NH2-OD2 2.73Å; R277-D348 PolarHBondContact NH2-OD2 2.97Å; N280-D348 HydrophobicContact CB-CB 3.74Å; M302-D348 HydrophobicContact CE-CB 3.71Å; S303-D348 VanDerWaalsContact CB-OD2 3.31Å; S303-D348 WeakPolarHBondContact CB-OD2 3.48Å; S303-D348 WeakPolarHBondContact OG-CB 3.35Å; S303-D348 PolarHBondContact OG-OD2 3.46Å; L346-D348 PolarHBondContact O-N 2.83Å; D348-D350 PolarHBondContact OD1-N 3Å; D348-D350 VanDerWaalsContact OD1-N 3.13Å; D348-D351 VanDerWaalsContact OD1-CB 3.29Å; D348-D351 WeakPolarHBondContact OD1-CB 3.46Å; D348-D351 PolarHBondContact OD1-N 2.66Å; D348-L352 WeakPolarHBondContact O-CB 3.34Å; D348-L352 WeakPolarHBondContact O-CD1 3.45Å; D348-L352 WeakPolarHBondContact O-CG 3.19Å; D348-L352 PolarHBondContact O-N 3.14Å
349	F	96.9	Very high	97.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-44.9	-172.4	-63.5	-81.3	0	0	0	112.3	R96 G102 N280 M302 V353 L359	R96-F349 HydrophobicContact CB-CD2 4.35Å; R96-F349 HydrophobicContact CB-CE2 3.75Å; R96-F349 HydrophobicContact CB-CZ 4.22Å; G102-F349 VanDerWaalsContact CA-CE1 3.44Å; N280-F349 WeakPolarHBondContact OD1-CB 3.49Å; N280-F349 PolarHBondContact OD1-N 3.2Å; N280-F349 VanDerWaalsContact OD1-N 3.12Å; M302-F349 HydrophobicContact CE-CD2 3.79Å; M302-F349 HydrophobicContact CE-CE2 3.81Å; F349-V353 VanDerWaalsContact O-CG2 3.26Å; F349-V353 WeakPolarHBondContact O-CG2 3.29Å; F349-V353 PolarHBondContact O-N 3.48Å; F349-L359 HydrophobicContact CD1-CB 3.77Å; F349-L359 HydrophobicContact CD1-CD2 3.83Å; F349-L359 HydrophobicContact CD1-CG 4.38Å; F349-L359 HydrophobicContact CD2-CD2 3.92Å; F349-L359 HydrophobicContact CE1-CB 4.16Å; F349-L359 HydrophobicContact CE1-CD2 3.78Å; F349-L359 HydrophobicContact CE1-CG 4.4Å; F349-L359 HydrophobicContact CE2-CD2 3.86Å; F349-L359 HydrophobicContact CG-CB 4.26Å; F349-L359 HydrophobicContact CG-CD2 3.9Å; F349-L359 HydrophobicContact CZ-CD2 3.8Å
350	D	97.3	Very high	97.3	Very high	42 Å²	42	41.8 Å²	41.8	23%	0.225	21%	0.214	C	C	.	.	H	α-helix	trans	-80.6	-33.5	-169.4	-60.4	-16.1	0	0	0	111.6	R96 R279 N280 D348 R354	R96-D350 IonicContact CZ-OD1 2.87Å; R96-D350 IonicContact NH1-OD1 3.81Å; R96-D350 PolarHBondContact NH1-OD1 2.9Å; R96-D350 IonicContact NH1-OD2 2.98Å; R96-D350 IonicContact NH2-OD1 3.93Å; R279-D350 IonicContact NE-OD2 2.85Å; N280-D350 VanDerWaalsContact ND2-CG 3.33Å; N280-D350 PolarHBondContact ND2-OD2 2.95Å; N280-D350 PolarHBondContact OD1-N 2.85Å; D348-D350 PolarHBondContact OD1-N 3Å; D348-D350 VanDerWaalsContact OD1-N 3.13Å; D350-R354 PolarHBondContact O-N 3.15Å; D350-R354 VanDerWaalsContact O-N 3.08Å
351	D	97.6	Very high	97.3	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-42.3	176.2	-138.3	62.6	0	0	0	111.6	R277 L346 D348 R354 A355	R277-D351 IonicContact CZ-OD1 3.72Å; R277-D351 IonicContact NH1-OD1 3.89Å; R277-D351 VanDerWaalsContact NH2-N 3.19Å; R277-D351 IonicContact NH2-OD1 3.48Å; R277-D351 PolarHBondContact NH2-OD1 3.26Å; L346-D351 HydrophobicContact CB-CB 3.99Å; L346-D351 PolarHBondContact N-OD2 2.95Å; D348-D351 VanDerWaalsContact OD1-CB 3.29Å; D348-D351 WeakPolarHBondContact OD1-CB 3.46Å; D348-D351 PolarHBondContact OD1-N 2.66Å; D351-R354 WeakPolarHBondContact O-CB 3.04Å; D351-R354 PolarHBondContact O-N 2.64Å; D351-R354 IonicContact OD1-CZ 3.59Å; D351-R354 IonicContact OD1-NH1 2.8Å; D351-R354 PolarHBondContact OD1-NH1 3.3Å; D351-R354 IonicContact OD1-NH2 3.73Å; D351-R354 PolarHBondContact OD1-NH2 2.89Å; D351-R354 IonicContact OD2-CZ 2.72Å; D351-R354 IonicContact OD2-NH2 3.06Å; D351-R354 PolarHBondContact OD2-NH2 3.26Å; D351-A355 PolarHBondContact O-N 3.46Å
352	L	98.1	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.3	-35.1	179.3	-73.3	171.9	0	0	0	112.1	P329 I337 V345 M347 D348 R354 A355 Q356 T357 L359	P329-L352 HydrophobicContact CB-CD1 4.1Å; P329-L352 HydrophobicContact CB-CD2 3.9Å; P329-L352 HydrophobicContact CG-CD1 4.42Å; P329-L352 HydrophobicContact CG-CD2 3.91Å; I337-L352 HydrophobicContact CD1-CD2 4.45Å; V345-L352 HydrophobicContact CG1-CD2 4.34Å; V345-L352 HydrophobicContact CG2-CD2 3.55Å; V345-L352 HydrophobicContact CG2-CG 4.24Å; M347-L352 HydrophobicContact CE-CD1 4.32Å; M347-L352 HydrophobicContact SD-CD1 4.22Å; D348-L352 WeakPolarHBondContact O-CB 3.34Å; D348-L352 WeakPolarHBondContact O-CD1 3.45Å; D348-L352 WeakPolarHBondContact O-CG 3.19Å; D348-L352 PolarHBondContact O-N 3.14Å; L352-R354 VanDerWaalsContact C-N 3.34Å; L352-A355 CarbonylContact O-C 3.12Å; L352-A355 WeakPolarHBondContact O-CA 3.46Å; L352-A355 PolarHBondContact O-N 3.1Å; L352-A355 VanDerWaalsContact O-N 3.15Å; L352-Q356 PolarHBondContact O-N 3.43Å; L352-T357 CarbonylContact C-O 3.4Å; L352-T357 HydrophobicContact CB-CG2 3.97Å; L352-T357 HydrophobicContact CD2-CG2 3.67Å; L352-T357 HydrophobicContact CG-CG2 4.42Å; L352-T357 CarbonylContact O-C 3.42Å; L352-T357 VanDerWaalsContact O-C 3.23Å; L352-T357 WeakPolarHBondContact O-CA 3.3Å; L352-T357 VanDerWaalsContact O-CG2 3.29Å; L352-T357 WeakPolarHBondContact O-CG2 3.45Å; L352-T357 PolarHBondContact O-N 2.92Å; L352-L359 VanDerWaalsContact CD1-CA 3.45Å; L352-L359 HydrophobicContact CD1-CB 3.8Å; L352-L359 HydrophobicContact CD1-CD1 3.54Å; L352-L359 HydrophobicContact CD1-CG 4.28Å
353	V	97.3	Very high	97.4	Very high	96 Å²	96	34.5 Å²	34.5	58%	0.582	18%	0.179	S	C	*	.	H	α-helix	trans	-62	-41.7	169.3	170.6	0	0	0	0	111.3	F349 A355 Q356 T357	F349-V353 VanDerWaalsContact O-CG2 3.26Å; F349-V353 WeakPolarHBondContact O-CG2 3.29Å; F349-V353 PolarHBondContact O-N 3.48Å; V353-A355 PolarHBondContact O-N 2.87Å; V353-Q356 PolarHBondContact O-N 3.37Å; V353-T357 VanDerWaalsContact CA-O 3.29Å; V353-T357 WeakPolarHBondContact CA-O 3.44Å; V353-T357 PolarHBondContact N-O 3.25Å
354	R	97.3	Very high	97.5	Very high	159 Å²	159	31.5 Å²	31.5	60%	0.6	16%	0.163	S	C	*	.	H	α-helix	trans	-60.3	-37.2	173.6	-173.7	-171	66.8	-122.1	-6.2	111.6	D350 D351 L352 Q356	D350-R354 PolarHBondContact O-N 3.15Å; D350-R354 VanDerWaalsContact O-N 3.08Å; D351-R354 WeakPolarHBondContact O-CB 3.04Å; D351-R354 PolarHBondContact O-N 2.64Å; D351-R354 IonicContact OD1-CZ 3.59Å; D351-R354 IonicContact OD1-NH1 2.8Å; D351-R354 PolarHBondContact OD1-NH1 3.3Å; D351-R354 IonicContact OD1-NH2 3.73Å; D351-R354 PolarHBondContact OD1-NH2 2.89Å; D351-R354 IonicContact OD2-CZ 2.72Å; D351-R354 IonicContact OD2-NH2 3.06Å; D351-R354 PolarHBondContact OD2-NH2 3.26Å; L352-R354 VanDerWaalsContact C-N 3.34Å; R354-Q356 PolarHBondContact O-N 3.31Å
355	A	97.4	Very high	97.7	Very high	17 Å²	17	26.7 Å²	26.7	14%	0.14	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	11.8	174.5	0	0	0	0	0	114	V341 V345 D351 L352 V353 T357	V341-A355 HydrophobicContact CG1-CB 3.86Å; V345-A355 HydrophobicContact CG2-CB 4.03Å; D351-A355 PolarHBondContact O-N 3.46Å; L352-A355 CarbonylContact O-C 3.12Å; L352-A355 WeakPolarHBondContact O-CA 3.46Å; L352-A355 PolarHBondContact O-N 3.1Å; L352-A355 VanDerWaalsContact O-N 3.15Å; V353-A355 PolarHBondContact O-N 2.87Å; A355-T357 HydrophobicContact CB-CG2 4.2Å; A355-T357 PolarHBondContact O-N 3.46Å
356	Q	97.5	Very high	97.8	Very high	119 Å²	119	26.5 Å²	26.5	56%	0.556	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	33.7	-179.4	-57.3	-178.5	-22.9	0	0	113.4	L352 V353 R354 R450	L352-Q356 PolarHBondContact O-N 3.43Å; V353-Q356 PolarHBondContact O-N 3.37Å; R354-Q356 PolarHBondContact O-N 3.31Å; Q356-R450 PolarHBondContact O-NH2 3.01Å
357	T	98	Very high	97.8	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.055	13%	0.13	C	C	.	.	S	Bend	trans	-135.9	-159.6	171.4	-173.2	0	0	0	0	109	P329 P335 I337 L352 V353 A355	P329-T357 HydrophobicContact CG-CG2 3.75Å; P329-T357 WeakPolarHBondContact CG-OG1 3.26Å; P335-T357 WeakPolarHBondContact CD-OG1 3.41Å; P335-T357 WeakPolarHBondContact O-CB 3.37Å; P335-T357 PolarHBondContact O-OG1 2.89Å; I337-T357 HydrophobicContact CG2-CG2 3.61Å; L352-T357 CarbonylContact C-O 3.4Å; L352-T357 HydrophobicContact CB-CG2 3.97Å; L352-T357 HydrophobicContact CD2-CG2 3.67Å; L352-T357 HydrophobicContact CG-CG2 4.42Å; L352-T357 CarbonylContact O-C 3.42Å; L352-T357 VanDerWaalsContact O-C 3.23Å; L352-T357 WeakPolarHBondContact O-CA 3.3Å; L352-T357 VanDerWaalsContact O-CG2 3.29Å; L352-T357 WeakPolarHBondContact O-CG2 3.45Å; L352-T357 PolarHBondContact O-N 2.92Å; V353-T357 VanDerWaalsContact CA-O 3.29Å; V353-T357 WeakPolarHBondContact CA-O 3.44Å; V353-T357 PolarHBondContact N-O 3.25Å; A355-T357 HydrophobicContact CB-CG2 4.2Å; A355-T357 PolarHBondContact O-N 3.46Å
358	A	97.4	Very high	97.8	Very high	23 Å²	23	25.5 Å²	25.5	19%	0.19	13%	0.131	C	C	.	.			trans	-148.5	159.4	176.6	0	0	0	0	0	111.4	T334 G360	T334-A358 HydrophobicContact CG2-CB 3.93Å; T334-A358 WeakPolarHBondContact CG2-O 2.99Å; A358-G360 VanDerWaalsContact C-N 3.34Å
359	L	97.6	Very high	97.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.155	C	C	.	.			trans	-71.8	-29.4	175.4	-174.3	65.5	0	0	0	112.8	F286 M302 G330 M347 F349 L352 T361 A362	F286-L359 HydrophobicContact CE1-CD1 4.43Å; M302-L359 HydrophobicContact CE-CD2 3.77Å; M302-L359 HydrophobicContact SD-CD2 4.17Å; G330-L359 WeakPolarHBondContact CA-O 3.4Å; M347-L359 HydrophobicContact CE-CD1 3.93Å; F349-L359 HydrophobicContact CD1-CB 3.77Å; F349-L359 HydrophobicContact CD1-CD2 3.83Å; F349-L359 HydrophobicContact CD1-CG 4.38Å; F349-L359 HydrophobicContact CD2-CD2 3.92Å; F349-L359 HydrophobicContact CE1-CB 4.16Å; F349-L359 HydrophobicContact CE1-CD2 3.78Å; F349-L359 HydrophobicContact CE1-CG 4.4Å; F349-L359 HydrophobicContact CE2-CD2 3.86Å; F349-L359 HydrophobicContact CG-CB 4.26Å; F349-L359 HydrophobicContact CG-CD2 3.9Å; F349-L359 HydrophobicContact CZ-CD2 3.8Å; L352-L359 VanDerWaalsContact CD1-CA 3.45Å; L352-L359 HydrophobicContact CD1-CB 3.8Å; L352-L359 HydrophobicContact CD1-CD1 3.54Å; L352-L359 HydrophobicContact CD1-CG 4.28Å; L359-T361 PolarHBondContact O-N 3.14Å; L359-A362 HydrophobicContact CD1-CB 3.94Å; L359-A362 HydrophobicContact CG-CB 4.22Å; L359-A362 WeakPolarHBondContact O-CA 3.36Å; L359-A362 PolarHBondContact O-N 2.65Å
360	G	96.5	Very high	97.9	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	-128.9	-176.7	0	0	0	0	0	112.7	G100 G330 A358 A362	G100-G360 WeakPolarHBondContact CA-O 3.25Å; G330-G360 CarbonylContact O-C 3.52Å; G330-G360 VanDerWaalsContact O-CA 3.25Å; G330-G360 WeakPolarHBondContact O-CA 3.44Å; A358-G360 VanDerWaalsContact C-N 3.34Å; G360-A362 PolarHBondContact O-N 3.16Å
361	T	97.5	Very high	98	Very high	11 Å²	11	34 Å²	34	7%	0.067	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.7	178.6	62.3	0	0	0	0	113.6	E131 T134 K136 K284 G330 L359 A363	E131-T361 HydrophobicContact CB-CG2 4.29Å; E131-T361 HydrophobicContact CG-CG2 4.07Å; T134-T361 HydrophobicContact CG2-CG2 4.04Å; T134-T361 PolarHBondContact OG1-OG1 3.48Å; K136-T361 VanDerWaalsContact CE-O 3.3Å; K136-T361 WeakPolarHBondContact CE-O 2.91Å; K284-T361 WeakPolarHBondContact CE-O 3.46Å; K284-T361 PolarHBondContact NZ-O 3.06Å; G330-T361 PolarHBondContact O-N 2.93Å; L359-T361 PolarHBondContact O-N 3.14Å; T361-A363 VanDerWaalsContact C-N 3.29Å; T361-A363 WeakPolarHBondContact OG1-CB 3.15Å; T361-A363 PolarHBondContact OG1-N 3.18Å
362	A	98.3	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	61	33.6	-167	0	0	0	0	0	113.8	K284 F286 N287 L359 G360	K284-A362 HydrophobicContact CD-CB 4.22Å; K284-A362 HydrophobicContact CG-CB 3.7Å; F286-A362 WeakPolarHBondContact CA-O 3.18Å; F286-A362 HydrophobicContact CD1-CB 3.62Å; F286-A362 HydrophobicContact CE1-CB 3.72Å; N287-A362 PolarHBondContact N-O 3.09Å; N287-A362 VanDerWaalsContact N-O 3.13Å; L359-A362 HydrophobicContact CD1-CB 3.94Å; L359-A362 HydrophobicContact CG-CB 4.22Å; L359-A362 WeakPolarHBondContact O-CA 3.36Å; L359-A362 PolarHBondContact O-N 2.65Å; G360-A362 PolarHBondContact O-N 3.16Å
363	A	98.3	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	103.4	167.7	0	0	0	0	0	110.7	G133 T134 N287 P329 G330 G331 T361 I365	G133-A363 WeakPolarHBondContact O-CB 3.27Å; T134-A363 WeakPolarHBondContact OG1-CB 3.18Å; N287-A363 HydrophobicContact CB-CB 4.41Å; N287-A363 CarbonylContact O-C 3.25Å; P329-A363 CarbonylContact C-O 3.55Å; G330-A363 PolarHBondContact N-O 3.39Å; G331-A363 PolarHBondContact N-O 3.41Å; T361-A363 VanDerWaalsContact C-N 3.29Å; T361-A363 WeakPolarHBondContact OG1-CB 3.15Å; T361-A363 PolarHBondContact OG1-N 3.18Å; A363-I365 PolarHBondContact O-N 2.82Å
364	V	98.8	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.3	-177.9	-174.1	0	0	0	0	109	N287 S289 L306 L309 I310 V327 I328 M347 V366	N287-V364 PolarHBondContact O-N 2.86Å; S289-V364 PolarHBondContact N-O 2.81Å; S289-V364 PolarHBondContact OG-O 3.42Å; L306-V364 HydrophobicContact CD1-CG1 3.74Å; L306-V364 HydrophobicContact CD1-CG2 4.41Å; L309-V364 HydrophobicContact CD2-CG2 4.27Å; I310-V364 HydrophobicContact CD1-CG1 4.24Å; I310-V364 HydrophobicContact CG1-CG1 4.44Å; V327-V364 HydrophobicContact CG1-CG1 3.49Å; V327-V364 VanDerWaalsContact CG1-CG1 3.49Å; I328-V364 CarbonylContact O-C 3.32Å; I328-V364 WeakPolarHBondContact O-CA 3.41Å; M347-V364 HydrophobicContact CE-CG2 3.6Å; V364-V366 HydrophobicContact CG1-CG2 4.03Å
365	I	98.9	Very high	98.2	Very high	29 Å²	29	31 Å²	31	15%	0.149	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	106.8	176.3	-48.5	170.1	0	0	0	108.3	V327 I328 A363	V327-I365 WeakPolarHBondContact CA-O 3.37Å; I328-I365 HydrophobicContact CB-CB 4.17Å; I328-I365 HydrophobicContact CB-CD1 4.48Å; I328-I365 HydrophobicContact CG2-CD1 4.42Å; I328-I365 PolarHBondContact N-O 3.09Å; I328-I365 PolarHBondContact O-N 2.71Å; A363-I365 PolarHBondContact O-N 2.82Å
366	V	98.9	Very high	98.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.5	-177.2	-179.3	0	0	0	0	110.3	I288 S289 G290 H291 V292 I310 V317 L324 V327 V364	I288-V366 HydrophobicContact CG2-CG2 4.32Å; S289-V366 PolarHBondContact O-N 3.37Å; G290-V366 WeakPolarHBondContact CA-O 3.4Å; H291-V366 PolarHBondContact N-O 2.86Å; V292-V366 HydrophobicContact CG1-CB 3.76Å; V292-V366 HydrophobicContact CG1-CG1 3.93Å; V292-V366 HydrophobicContact CG1-CG2 3.58Å; I310-V366 HydrophobicContact CD1-CG2 3.79Å; I310-V366 HydrophobicContact CG1-CG2 4.29Å; V317-V366 HydrophobicContact CG1-CG1 4.24Å; V317-V366 HydrophobicContact CG2-CG1 4.07Å; L324-V366 HydrophobicContact CD1-CG1 3.7Å; V327-V366 HydrophobicContact CG2-CG2 4.4Å; V364-V366 HydrophobicContact CG1-CG2 4.03Å
367	M	98.8	Very high	98.3	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.054	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.3	174.6	-68.7	171.1	-79.7	0	0	109.9	L324 L325 G326 I328 I336 T371 A376	L324-M367 WeakPolarHBondContact CD1-O 3.21Å; L325-M367 VanDerWaalsContact CB-O 3.32Å; L325-M367 WeakPolarHBondContact CB-O 3.42Å; L325-M367 PolarHBondContact N-O 2.89Å; G326-M367 PolarHBondContact N-O 3.08Å; G326-M367 PolarHBondContact O-N 3.12Å; I328-M367 HydrophobicContact CD1-CE 3.82Å; I328-M367 HydrophobicContact CG1-CE 3.77Å; I336-M367 HydrophobicContact CD1-CE 3.31Å; I336-M367 HydrophobicContact CD1-SD 4.39Å; I336-M367 HydrophobicContact CG1-CE 3.87Å; M367-T371 HydrophobicContact CB-CG2 4.28Å; M367-T371 HydrophobicContact CG-CG2 4.17Å; M367-T371 HydrophobicContact SD-CG2 4.29Å; M367-A376 HydrophobicContact SD-CB 4.09Å
368	D	98.6	Very high	98.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	171.9	173.3	76.1	4.2	0	0	0	111.9	H291 V317 R318 N323 L325 S370 T371	H291-D368 HydrophobicContact CB-CB 3.92Å; H291-D368 IonicContact CE1-OD1 3.4Å; H291-D368 IonicContact CG-OD1 2.78Å; H291-D368 VanDerWaalsContact ND1-CG 3.3Å; H291-D368 PolarHBondContact ND1-N 2.83Å; H291-D368 IonicContact ND1-OD1 3.32Å; H291-D368 PolarHBondContact ND1-OD1 3.01Å; H291-D368 IonicContact ND1-OD2 2.82Å; V317-D368 HydrophobicContact CG1-CB 4.16Å; R318-D368 IonicContact CZ-OD2 2.73Å; R318-D368 IonicContact NE-OD2 3.94Å; R318-D368 PolarHBondContact NE-OD2 3.18Å; R318-D368 IonicContact NH2-OD1 2.9Å; R318-D368 PolarHBondContact NH2-OD1 3.25Å; R318-D368 IonicContact NH2-OD2 3.77Å; R318-D368 PolarHBondContact NH2-OD2 3.1Å; N323-D368 CarbonylContact O-C 3.5Å; N323-D368 VanDerWaalsContact O-CA 3.28Å; N323-D368 WeakPolarHBondContact O-CA 3.49Å; N323-D368 WeakPolarHBondContact O-CB 3.41Å; L325-D368 WeakPolarHBondContact CB-O 3.38Å; D368-S370 PolarHBondContact O-N 3.12Å; D368-S370 VanDerWaalsContact O-N 3.08Å; D368-S370 WeakPolarHBondContact OD1-CB 3.31Å; D368-S370 PolarHBondContact OD1-N 2.85Å; D368-S370 VanDerWaalsContact OD1-N 3.12Å; D368-S370 PolarHBondContact OD1-OG 2.82Å; D368-T371 VanDerWaalsContact O-CB 3.25Å; D368-T371 WeakPolarHBondContact O-CB 3.26Å; D368-T371 PolarHBondContact O-N 2.9Å; D368-T371 PolarHBondContact O-OG1 3.21Å; D368-T371 PolarHBondContact OD1-OG1 3.07Å
369	K	98.6	Very high	98.4	Very high	118 Å²	118	30.7 Å²	30.7	51%	0.513	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.5	-177.2	-71.6	171.7	177.1	171.5	0	115	S322 N323 L324 L325 T371	S322-K369 WeakPolarHBondContact O-CE 3.41Å; S322-K369 PolarHBondContact O-NZ 2.93Å; N323-K369 WeakPolarHBondContact O-CG 3.46Å; N323-K369 PolarHBondContact O-N 2.88Å; L324-K369 WeakPolarHBondContact O-CE 3.3Å; L325-K369 HydrophobicContact CB-CG 4.28Å; L325-K369 HydrophobicContact CD1-CG 4.47Å; K369-T371 PolarHBondContact O-N 3.19Å
370	S	98.3	Very high	98.5	Very high	82 Å²	82	31.8 Å²	31.8	57%	0.573	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.7	173.1	75.7	0	0	0	0	113.2	R318 D368	R318-S370 PolarHBondContact NH2-OG 3.32Å; D368-S370 PolarHBondContact O-N 3.12Å; D368-S370 VanDerWaalsContact O-N 3.08Å; D368-S370 WeakPolarHBondContact OD1-CB 3.31Å; D368-S370 PolarHBondContact OD1-N 2.85Å; D368-S370 VanDerWaalsContact OD1-N 3.12Å; D368-S370 PolarHBondContact OD1-OG 2.82Å
371	T	98.4	Very high	98.6	Very high	29 Å²	29	31.6 Å²	31.6	18%	0.178	16%	0.156	C	C	.	.	S	Bend	trans	-83.1	131.8	-174.9	-46.2	0	0	0	0	111.7	H291 M367 D368 K369 V373 A376	H291-T371 PolarHBondContact CE1-OG1 2.84Å; H291-T371 PolarHBondContact ND1-OG1 3.03Å; H291-T371 VanDerWaalsContact ND1-OG1 3.1Å; M367-T371 HydrophobicContact CB-CG2 4.28Å; M367-T371 HydrophobicContact CG-CG2 4.17Å; M367-T371 HydrophobicContact SD-CG2 4.29Å; D368-T371 VanDerWaalsContact O-CB 3.25Å; D368-T371 WeakPolarHBondContact O-CB 3.26Å; D368-T371 PolarHBondContact O-N 2.9Å; D368-T371 PolarHBondContact O-OG1 3.21Å; D368-T371 PolarHBondContact OD1-OG1 3.07Å; K369-T371 PolarHBondContact O-N 3.19Å; T371-V373 PolarHBondContact O-N 3.11Å; T371-V373 VanDerWaalsContact O-N 3.08Å; T371-A376 HydrophobicContact CG2-CB 4.27Å
372	D	98.5	Very high	98.6	Very high	53 Å²	53	33.4 Å²	33.4	28%	0.283	16%	0.163	S	C	.	.			trans	-75.5	90.8	159.8	-175.1	-5.4	0	0	0	109	I374 R375 A376 R459	D372-I374 VanDerWaalsContact C-N 3.26Å; D372-I374 PolarHBondContact O-N 2.84Å; D372-I374 PolarHBondContact OD1-N 2.9Å; D372-R375 HydrophobicContact CB-CB 3.9Å; D372-R375 WeakPolarHBondContact O-CB 3.42Å; D372-R375 PolarHBondContact O-N 3.04Å; D372-R375 VanDerWaalsContact O-N 3.12Å; D372-R375 PolarHBondContact OD1-N 3.4Å; D372-A376 PolarHBondContact O-N 3.07Å; D372-R459 IonicContact OD1-CZ 2.71Å; D372-R459 IonicContact OD1-NH1 2.84Å; D372-R459 IonicContact OD1-NH2 3.9Å; D372-R459 PolarHBondContact OD1-NH2 3.14Å; D372-R459 IonicContact OD2-CZ 2.93Å; D372-R459 IonicContact OD2-NH1 3.76Å; D372-R459 PolarHBondContact OD2-NH1 2.8Å; D372-R459 IonicContact OD2-NH2 2.73Å; D372-R459 PolarHBondContact OD2-NH2 3.41Å; D372-R459 VanDerWaalsContact OD2-NH2 3.1Å
373	V	98.5	Very high	98.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-33.9	-176.1	67.2	0	0	0	0	112.5	L325 I336 T371 R375 A376 I377 L448 F452	L325-V373 HydrophobicContact CD2-CB 3.88Å; L325-V373 HydrophobicContact CD2-CG1 4.36Å; I336-V373 HydrophobicContact CD1-CG2 3.68Å; T371-V373 PolarHBondContact O-N 3.11Å; T371-V373 VanDerWaalsContact O-N 3.08Å; V373-R375 VanDerWaalsContact C-N 3.33Å; V373-R375 PolarHBondContact O-N 2.87Å; V373-A376 PolarHBondContact O-N 2.88Å; V373-I377 HydrophobicContact CG2-CG1 4.43Å; V373-I377 WeakPolarHBondContact O-CG1 3.37Å; V373-I377 PolarHBondContact O-N 3.33Å; V373-L448 HydrophobicContact CB-CD1 4.48Å; V373-L448 HydrophobicContact CG1-CD1 3.98Å; V373-L448 HydrophobicContact CG2-CD1 3.96Å; V373-F452 HydrophobicContact CG1-CB 4.34Å; V373-F452 HydrophobicContact CG1-CD1 4.06Å; V373-F452 HydrophobicContact CG1-CG 4.12Å; V373-F452 HydrophobicContact CG2-CD2 4.45Å
374	I	98.8	Very high	98.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177	-55.8	173.1	0	0	0	109.4	D372 A378 M406 F409 V410 L448 M456 R459	D372-I374 VanDerWaalsContact C-N 3.26Å; D372-I374 PolarHBondContact O-N 2.84Å; D372-I374 PolarHBondContact OD1-N 2.9Å; I374-A378 VanDerWaalsContact O-CB 3.32Å; I374-A378 WeakPolarHBondContact O-CB 3.32Å; I374-A378 PolarHBondContact O-N 3.32Å; I374-M406 HydrophobicContact CG2-CE 4.16Å; I374-F409 HydrophobicContact CG2-CB 4.01Å; I374-V410 HydrophobicContact CG2-CG2 3.96Å; I374-L448 HydrophobicContact CG1-CD1 4.42Å; I374-L448 HydrophobicContact CG2-CD2 4.47Å; I374-M456 HydrophobicContact CD1-CB 4.33Å; I374-M456 HydrophobicContact CD1-CG 3.85Å; I374-M456 HydrophobicContact CG1-CG 4.09Å; I374-R459 HydrophobicContact CD1-CB 4.16Å; I374-R459 HydrophobicContact CD1-CG 4.46Å
375	R	98.8	Very high	98.7	Very high	137 Å²	137	38.2 Å²	38.2	52%	0.517	18%	0.184	S	C	.	.	H	α-helix	trans	-67.2	-39.9	176.5	-175.6	-176.7	174.5	87.5	5.1	112.4	D372 V373 A378 R379 W407 V410	D372-R375 HydrophobicContact CB-CB 3.9Å; D372-R375 WeakPolarHBondContact O-CB 3.42Å; D372-R375 PolarHBondContact O-N 3.04Å; D372-R375 VanDerWaalsContact O-N 3.12Å; D372-R375 PolarHBondContact OD1-N 3.4Å; V373-R375 VanDerWaalsContact C-N 3.33Å; V373-R375 PolarHBondContact O-N 2.87Å; R375-A378 PolarHBondContact O-N 3.31Å; R375-R379 PolarHBondContact O-N 2.95Å; R375-W407 HydrophobicContact CG-CZ3 4.5Å; R375-V410 HydrophobicContact CB-CG1 4.21Å; R375-V410 HydrophobicContact CB-CG2 4.16Å; R375-V410 HydrophobicContact CG-CG1 4.36Å
376	A	98.8	Very high	98.6	Very high	32 Å²	32	42.7 Å²	42.7	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-48.2	176.9	0	0	0	0	0	111.1	M367 T371 D372 V373 R379 L380	M367-A376 HydrophobicContact SD-CB 4.09Å; T371-A376 HydrophobicContact CG2-CB 4.27Å; D372-A376 PolarHBondContact O-N 3.07Å; V373-A376 PolarHBondContact O-N 2.88Å; A376-R379 WeakPolarHBondContact O-CB 3.48Å; A376-R379 PolarHBondContact O-N 2.82Å; A376-L380 PolarHBondContact O-N 2.62Å; A376-L380 VanDerWaalsContact O-N 3.16Å
377	I	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-38.7	177.5	-59.9	-59.8	0	0	0	111.5	I328 V373 R379 L380 V381 M406 P444 V445 L448	I328-I377 HydrophobicContact CD1-CD1 4.15Å; V373-I377 HydrophobicContact CG2-CG1 4.43Å; V373-I377 WeakPolarHBondContact O-CG1 3.37Å; V373-I377 PolarHBondContact O-N 3.33Å; I377-R379 VanDerWaalsContact C-N 3.26Å; I377-R379 PolarHBondContact O-N 2.67Å; I377-L380 HydrophobicContact CD1-CD1 4.04Å; I377-L380 WeakPolarHBondContact O-CB 3.43Å; I377-L380 PolarHBondContact O-N 2.94Å; I377-V381 WeakPolarHBondContact O-CG2 3.16Å; I377-V381 PolarHBondContact O-N 2.95Å; I377-M406 HydrophobicContact CB-CE 4.39Å; I377-M406 HydrophobicContact CG2-CE 4.16Å; I377-P444 HydrophobicContact CD1-CB 4.3Å; I377-P444 HydrophobicContact CG2-CB 4.07Å; I377-V445 HydrophobicContact CG2-CG2 4.38Å; I377-L448 HydrophobicContact CB-CD2 4.1Å; I377-L448 HydrophobicContact CG1-CB 4.19Å; I377-L448 HydrophobicContact CG1-CD1 4.09Å; I377-L448 HydrophobicContact CG1-CD2 4.41Å; I377-L448 HydrophobicContact CG1-CG 4.46Å; I377-L448 HydrophobicContact CG2-CB 4.23Å; I377-L448 HydrophobicContact CG2-CD2 4.13Å
378	A	98.8	Very high	98.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-41.7	173	0	0	0	0	0	111.8	I374 R375 L380 V381 E382 M406 W407 V410	I374-A378 VanDerWaalsContact O-CB 3.32Å; I374-A378 WeakPolarHBondContact O-CB 3.32Å; I374-A378 PolarHBondContact O-N 3.32Å; R375-A378 PolarHBondContact O-N 3.31Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.05Å; A378-V381 PolarHBondContact O-N 3.46Å; A378-E382 WeakPolarHBondContact O-CB 3.47Å; A378-E382 PolarHBondContact O-N 3.46Å; A378-M406 HydrophobicContact CB-CB 3.84Å; A378-M406 HydrophobicContact CB-CE 4.16Å; A378-W407 HydrophobicContact CB-CD2 4.5Å; A378-V410 HydrophobicContact CB-CG2 3.58Å
379	R	98.8	Very high	98.4	Very high	128 Å²	128	47.4 Å²	47.4	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-31.9	175.9	-178.5	59.3	-172.2	94.5	-8.2	112.9	R375 A376 I377 E382 F383	R375-R379 PolarHBondContact O-N 2.95Å; A376-R379 WeakPolarHBondContact O-CB 3.48Å; A376-R379 PolarHBondContact O-N 2.82Å; I377-R379 VanDerWaalsContact C-N 3.26Å; I377-R379 PolarHBondContact O-N 2.67Å; R379-E382 WeakPolarHBondContact CD-OE2 3.39Å; R379-E382 IonicContact NE-OE2 2.88Å; R379-F383 PolarHBondContact O-N 3.24Å
380	L	98.8	Very high	98.3	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-42	172.6	-64.9	-176.5	0	0	0	111.6	I328 A376 I377 A378 E382 F383 Y384	I328-L380 HydrophobicContact CD1-CD1 3.68Å; A376-L380 PolarHBondContact O-N 2.62Å; A376-L380 VanDerWaalsContact O-N 3.16Å; I377-L380 HydrophobicContact CD1-CD1 4.04Å; I377-L380 WeakPolarHBondContact O-CB 3.43Å; I377-L380 PolarHBondContact O-N 2.94Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.05Å; L380-E382 VanDerWaalsContact C-N 3.31Å; L380-E382 PolarHBondContact O-N 2.69Å; L380-F383 WeakPolarHBondContact O-CA 2.96Å; L380-F383 VanDerWaalsContact O-CB 3.3Å; L380-F383 WeakPolarHBondContact O-CB 3.26Å; L380-F383 PolarHBondContact O-N 3.45Å; L380-F383 VanDerWaalsContact O-N 3.14Å; L380-Y384 WeakPolarHBondContact O-CD2 3.49Å; L380-Y384 PolarHBondContact O-N 3.11Å
381	V	98.6	Very high	98.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-40.4	175.2	-179.7	0	0	0	0	110.9	I377 A378 F383 Y384 K385 V399 M402 D403 M406 V445	I377-V381 WeakPolarHBondContact O-CG2 3.16Å; I377-V381 PolarHBondContact O-N 2.95Å; A378-V381 PolarHBondContact O-N 3.46Å; V381-F383 VanDerWaalsContact C-N 3.31Å; V381-F383 PolarHBondContact O-N 2.69Å; V381-Y384 PolarHBondContact O-N 3.3Å; V381-Y384 VanDerWaalsContact O-N 3.14Å; V381-K385 PolarHBondContact O-N 3.34Å; V381-V399 HydrophobicContact CG1-CG1 4.4Å; V381-M402 HydrophobicContact CG1-CB 3.93Å; V381-D403 HydrophobicContact CG1-CB 4.01Å; V381-M406 HydrophobicContact CB-CG 4.47Å; V381-M406 HydrophobicContact CG2-CG 4.12Å; V381-V445 HydrophobicContact CG2-CG2 3.39Å
382	E	98.8	Very high	98.3	Very high	49 Å²	49	42 Å²	42	23%	0.229	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-41.4	172.4	-174.5	-179.2	-159.7	0	0	111.5	A378 R379 L380 K385 H386 D403 W407	A378-E382 WeakPolarHBondContact O-CB 3.47Å; A378-E382 PolarHBondContact O-N 3.46Å; R379-E382 WeakPolarHBondContact CD-OE2 3.39Å; R379-E382 IonicContact NE-OE2 2.88Å; L380-E382 VanDerWaalsContact C-N 3.31Å; L380-E382 PolarHBondContact O-N 2.69Å; E382-K385 WeakPolarHBondContact O-CB 3.45Å; E382-K385 PolarHBondContact O-N 2.84Å; E382-H386 PolarHBondContact O-CD2 3.03Å; E382-H386 PolarHBondContact O-N 3.08Å; E382-D403 WeakPolarHBondContact CA-OD1 3.31Å; E382-D403 WeakPolarHBondContact CB-OD1 3.36Å; E382-W407 WeakPolarHBondContact OE2-CZ2 3.35Å
383	F	98.8	Very high	98.3	Very high	31 Å²	31	43.3 Å²	43.3	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-49.5	171.6	163.7	-92.6	0	0	0	111.5	P132 Y214 R379 L380 V381 K385 H386 E387	P132-F383 VanDerWaalsContact CD-CZ 3.41Å; P132-F383 HydrophobicContact CG-CD1 3.85Å; P132-F383 HydrophobicContact CG-CD2 4.08Å; P132-F383 HydrophobicContact CG-CE1 3.61Å; P132-F383 HydrophobicContact CG-CE2 3.83Å; P132-F383 HydrophobicContact CG-CG 4.09Å; P132-F383 HydrophobicContact CG-CZ 3.6Å; Y214-F383 HydrophobicContact CD1-CE1 4.14Å; Y214-F383 HydrophobicContact CD1-CZ 4.07Å; Y214-F383 HydrophobicContact CD2-CZ 4.03Å; Y214-F383 HydrophobicContact CE1-CE1 4.3Å; Y214-F383 HydrophobicContact CG-CE1 4.24Å; Y214-F383 AromaticContact CG-CZ 3.73Å; Y214-F383 HydrophobicContact CG-CZ 3.73Å; R379-F383 PolarHBondContact O-N 3.24Å; L380-F383 WeakPolarHBondContact O-CA 2.96Å; L380-F383 VanDerWaalsContact O-CB 3.3Å; L380-F383 WeakPolarHBondContact O-CB 3.26Å; L380-F383 PolarHBondContact O-N 3.45Å; L380-F383 VanDerWaalsContact O-N 3.14Å; V381-F383 VanDerWaalsContact C-N 3.31Å; V381-F383 PolarHBondContact O-N 2.69Å; F383-K385 VanDerWaalsContact C-N 3.28Å; F383-K385 PolarHBondContact O-N 2.89Å; F383-H386 PolarHBondContact O-N 3.09Å; F383-H386 VanDerWaalsContact O-N 3.14Å; F383-E387 HydrophobicContact CD2-CG 3.83Å; F383-E387 HydrophobicContact CE1-CG 4.46Å; F383-E387 HydrophobicContact CE2-CB 4.44Å; F383-E387 HydrophobicContact CE2-CG 3.5Å; F383-E387 VanDerWaalsContact CE2-CG 3.5Å; F383-E387 HydrophobicContact CG-CG 4.46Å; F383-E387 HydrophobicContact CZ-CB 4.33Å; F383-E387 HydrophobicContact CZ-CG 3.83Å; F383-E387 WeakPolarHBondContact O-CB 3.27Å; F383-E387 WeakPolarHBondContact O-CG 3.43Å; F383-E387 PolarHBondContact O-N 2.9Å
384	Y	98.7	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-32.6	179.4	-78.4	-67.2	0	0	0	113.5	Y214 S332 S333 L380 V381 S388 L437 G440 A441 P444	Y214-Y384 HydrophobicContact CE1-CD1 4.24Å; Y214-Y384 AromaticContact CE1-CE1 3.76Å; Y214-Y384 HydrophobicContact CE1-CE1 3.76Å; S332-Y384 PolarHBondContact OG-OH 3.33Å; S333-Y384 WeakPolarHBondContact CA-OH 3.46Å; S333-Y384 WeakPolarHBondContact CB-OH 3.46Å; S333-Y384 PolarHBondContact N-OH 2.89Å; L380-Y384 WeakPolarHBondContact O-CD2 3.49Å; L380-Y384 PolarHBondContact O-N 3.11Å; V381-Y384 PolarHBondContact O-N 3.3Å; V381-Y384 VanDerWaalsContact O-N 3.14Å; Y384-S388 VanDerWaalsContact O-CB 3.3Å; Y384-S388 WeakPolarHBondContact O-CB 3.49Å; Y384-S388 PolarHBondContact O-N 3.25Å; Y384-S388 VanDerWaalsContact O-N 3.1Å; Y384-L437 HydrophobicContact CD1-CD2 4.15Å; Y384-L437 HydrophobicContact CD1-CG 4.04Å; Y384-G440 WeakPolarHBondContact CE2-O 3.49Å; Y384-G440 VanDerWaalsContact CZ-O 3.31Å; Y384-A441 HydrophobicContact CD1-CB 4.12Å; Y384-A441 HydrophobicContact CD2-CB 4.15Å; Y384-A441 HydrophobicContact CG-CB 3.71Å; Y384-P444 HydrophobicContact CE2-CG 4.39Å
385	K	98.3	Very high	98.2	Very high	70 Å²	70	45.3 Å²	45.3	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-49.2	171.5	168.2	-175.8	165.7	166.7	0	111	V381 E382 F383 E387 V399 D400 D403	V381-K385 PolarHBondContact O-N 3.34Å; E382-K385 WeakPolarHBondContact O-CB 3.45Å; E382-K385 PolarHBondContact O-N 2.84Å; F383-K385 VanDerWaalsContact C-N 3.28Å; F383-K385 PolarHBondContact O-N 2.89Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 2.94Å; K385-V399 HydrophobicContact CB-CG1 4Å; K385-D400 HydrophobicContact CD-CB 4.46Å; K385-D400 WeakPolarHBondContact CD-OD1 3.22Å; K385-D400 WeakPolarHBondContact CE-OD1 3.5Å; K385-D400 IonicContact NZ-OD1 3.72Å; K385-D400 PolarHBondContact NZ-OD1 3.19Å; K385-D403 HydrophobicContact CD-CB 3.86Å; K385-D403 VanDerWaalsContact CD-OD2 3.22Å; K385-D403 WeakPolarHBondContact CD-OD2 3.3Å; K385-D403 IonicContact NZ-OD2 3.62Å; K385-D403 PolarHBondContact NZ-OD2 2.86Å
386	H	98.3	Very high	98.2	Very high	122 Å²	122	43.1 Å²	43.1	57%	0.565	22%	0.221	S	C	*	.	H	α-helix	trans	-63.4	-38.5	179.8	-78.9	-61.3	0	0	0	112.5	E382 F383	E382-H386 PolarHBondContact O-CD2 3.03Å; E382-H386 PolarHBondContact O-N 3.08Å; F383-H386 PolarHBondContact O-N 3.09Å; F383-H386 VanDerWaalsContact O-N 3.14Å
387	E	97.9	Very high	98.2	Very high	51 Å²	51	46.3 Å²	46.3	24%	0.238	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.7	-174.3	-65.5	-58.6	144.9	0	0	113.9	A213 Y214 I215 F383 K385 L437	A213-E387 WeakPolarHBondContact CA-OE2 3.37Å; Y214-E387 HydrophobicContact CD1-CB 3.97Å; Y214-E387 HydrophobicContact CG-CB 4.34Å; Y214-E387 PolarHBondContact N-OE2 3.48Å; I215-E387 WeakPolarHBondContact CB-O 3.38Å; F383-E387 HydrophobicContact CD2-CG 3.83Å; F383-E387 HydrophobicContact CE1-CG 4.46Å; F383-E387 HydrophobicContact CE2-CB 4.44Å; F383-E387 HydrophobicContact CE2-CG 3.5Å; F383-E387 VanDerWaalsContact CE2-CG 3.5Å; F383-E387 HydrophobicContact CG-CG 4.46Å; F383-E387 HydrophobicContact CZ-CB 4.33Å; F383-E387 HydrophobicContact CZ-CG 3.83Å; F383-E387 WeakPolarHBondContact O-CB 3.27Å; F383-E387 WeakPolarHBondContact O-CG 3.43Å; F383-E387 PolarHBondContact O-N 2.9Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 2.94Å; E387-L437 WeakPolarHBondContact O-CD1 3.34Å
388	S	97.4	Very high	98.2	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.182	23%	0.234	C	C	.	.			trans	-84.4	129.6	172.1	179.6	0	0	0	0	110.9	Y384 G390 C395	Y384-S388 VanDerWaalsContact O-CB 3.3Å; Y384-S388 WeakPolarHBondContact O-CB 3.49Å; Y384-S388 PolarHBondContact O-N 3.25Å; Y384-S388 VanDerWaalsContact O-N 3.1Å; S388-G390 PolarHBondContact O-N 3.42Å; S388-G390 VanDerWaalsContact O-N 3.14Å; S388-G390 PolarHBondContact OG-N 3.27Å; S388-C395 PolarHBondContact OG-SG 2.8Å
389	C	96.6	Very high	98.2	Very high	36 Å²	36	46.7 Å²	46.7	24%	0.243	23%	0.234	C	C	.	.			trans	-69.9	-6.9	177.6	66.3	0	0	0	0	114.6	I215 K232 Q391	I215-C389 HydrophobicContact CB-CB 4.45Å; I215-C389 HydrophobicContact CG1-CB 3.9Å; I215-C389 HydrophobicContact CG2-CB 4.02Å; K232-C389 WeakPolarHBondContact CE-O 3.47Å; K232-C389 HydrophobicContact CG-CB 3.93Å; C389-Q391 VanDerWaalsContact C-N 3.27Å; C389-Q391 PolarHBondContact O-N 3.44Å
390	G	96.8	Very high	98.2	Very high	22 Å²	22	42.4 Å²	42.4	23%	0.227	22%	0.221	C	C	.	.			trans	67.6	17.8	178.9	0	0	0	0	0	115.3	S388 R396	S388-G390 PolarHBondContact O-N 3.42Å; S388-G390 VanDerWaalsContact O-N 3.14Å; S388-G390 PolarHBondContact OG-N 3.27Å; G390-R396 VanDerWaalsContact O-CD 3.28Å; G390-R396 WeakPolarHBondContact O-CD 3.39Å; G390-R396 PolarHBondContact O-NH1 3.12Å
391	Q	97.8	Very high	98.1	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	24%	0.239	S	C	.	.			trans	-72.6	-58.1	-177.8	-174.7	-176.5	4.1	0	0	112.9	K232 P233 C389 R396 I434	K232-Q391 HydrophobicContact CD-CB 4.32Å; K232-Q391 HydrophobicContact CD-CG 4.5Å; K232-Q391 HydrophobicContact CG-CB 4.29Å; P233-Q391 PolarHBondContact O-NE2 2.96Å; P233-Q391 PolarHBondContact O-OE1 3.29Å; C389-Q391 VanDerWaalsContact C-N 3.27Å; C389-Q391 PolarHBondContact O-N 3.44Å; Q391-R396 PolarHBondContact O-NH1 2.93Å; Q391-R396 VanDerWaalsContact O-NH1 3.09Å; Q391-I434 HydrophobicContact CG-CD1 3.9Å
392	C	97.6	Very high	98.1	Very high	21 Å²	21	47.5 Å²	47.5	14%	0.142	24%	0.238	C	C	.	.	S	Bend	trans	-91.6	136.6	-178.1	62.2	0	0	0	0	112	C395 R396 I434	C392-C395 PolarHBondContact O-N 2.92Å; C392-C395 VanDerWaalsContact SG-CB 3.58Å; C392-R396 WeakPolarHBondContact O-CB 2.94Å; C392-R396 PolarHBondContact O-N 3.39Å; C392-I434 HydrophobicContact CB-CB 4.45Å; C392-I434 HydrophobicContact CB-CD1 3.75Å; C392-I434 HydrophobicContact CB-CG1 3.78Å
393	T	98.4	Very high	98.1	Very high	81 Å²	81	45.7 Å²	45.7	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-58.6	-44.9	-174.7	-55	0	0	0	0	113.8	C395 R396 E397	T393-C395 VanDerWaalsContact C-N 3.3Å; T393-C395 PolarHBondContact O-N 3.13Å; T393-R396 PolarHBondContact O-N 3.12Å; T393-R396 PolarHBondContact OG1-NH2 2.6Å; T393-E397 HydrophobicContact CG2-CG 3.84Å; T393-E397 PolarHBondContact O-N 2.93Å
394	P	98.1	Very high	98.1	Very high	42 Å²	42	49.7 Å²	49.7	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-40.8	-178.6	-27.6	39	0	0	0	112.6	G398 H432 T433	P394-G398 WeakPolarHBondContact O-CA 3.13Å; P394-G398 PolarHBondContact O-N 2.71Å; P394-H432 HydrophobicContact CB-CB 4.33Å; P394-H432 HydrophobicContact CG-CB 4.21Å; P394-H432 WeakPolarHBondContact CG-O 3.27Å; P394-T433 HydrophobicContact CB-CG2 4.03Å
395	C	98.1	Very high	98.1	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-72.7	-50.5	174.9	-176.1	0	0	0	0	112	S388 C392 T393 E397 V399 T433 L437	S388-C395 PolarHBondContact OG-SG 2.8Å; C392-C395 PolarHBondContact O-N 2.92Å; C392-C395 VanDerWaalsContact SG-CB 3.58Å; T393-C395 VanDerWaalsContact C-N 3.3Å; T393-C395 PolarHBondContact O-N 3.13Å; C395-E397 PolarHBondContact O-N 2.73Å; C395-V399 VanDerWaalsContact O-CB 3.25Å; C395-V399 WeakPolarHBondContact O-CB 3.46Å; C395-V399 WeakPolarHBondContact O-CG2 3.46Å; C395-V399 PolarHBondContact O-N 2.83Å; C395-T433 HydrophobicContact CB-CG2 3.62Å; C395-L437 WeakPolarHBondContact SG-CD2 3.44Å
396	R	98.3	Very high	98.1	Very high	90 Å²	90	46.6 Å²	46.6	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-57.1	-51.1	-174	-178.6	-179.5	55.9	-104	-5.3	111.9	G390 Q391 C392 T393	G390-R396 VanDerWaalsContact O-CD 3.28Å; G390-R396 WeakPolarHBondContact O-CD 3.39Å; G390-R396 PolarHBondContact O-NH1 3.12Å; Q391-R396 PolarHBondContact O-NH1 2.93Å; Q391-R396 VanDerWaalsContact O-NH1 3.09Å; C392-R396 WeakPolarHBondContact O-CB 2.94Å; C392-R396 PolarHBondContact O-N 3.39Å; T393-R396 PolarHBondContact O-N 3.12Å; T393-R396 PolarHBondContact OG1-NH2 2.6Å
397	E	98.6	Very high	98.2	Very high	99 Å²	99	43.5 Å²	43.5	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-86.8	-41.1	-176.4	-52.3	-55.7	149.3	0	0	111.2	T393 C395 V399 D400 W401	T393-E397 HydrophobicContact CG2-CG 3.84Å; T393-E397 PolarHBondContact O-N 2.93Å; C395-E397 PolarHBondContact O-N 2.73Å; E397-V399 PolarHBondContact O-N 3.13Å; E397-D400 PolarHBondContact O-N 3.26Å; E397-W401 WeakPolarHBondContact O-CB 3.08Å; E397-W401 PolarHBondContact O-N 3.08Å
398	G	98.4	Very high	98.2	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-39.2	-175.1	0	0	0	0	0	112.9	P394 W401 M402 I429	P394-G398 WeakPolarHBondContact O-CA 3.13Å; P394-G398 PolarHBondContact O-N 2.71Å; G398-W401 PolarHBondContact O-N 3.36Å; G398-M402 WeakPolarHBondContact O-CB 3.33Å; G398-M402 VanDerWaalsContact O-CG 3.32Å; G398-M402 WeakPolarHBondContact O-CG 3.34Å; G398-M402 PolarHBondContact O-N 2.97Å; G398-I429 VanDerWaalsContact C-CD1 3.46Å
399	V	98.4	Very high	98.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-71.3	-38.1	178.2	-177.3	0	0	0	0	111.5	V381 K385 C395 E397 W401 M402 D403 A441	V381-V399 HydrophobicContact CG1-CG1 4.4Å; K385-V399 HydrophobicContact CB-CG1 4Å; C395-V399 VanDerWaalsContact O-CB 3.25Å; C395-V399 WeakPolarHBondContact O-CB 3.46Å; C395-V399 WeakPolarHBondContact O-CG2 3.46Å; C395-V399 PolarHBondContact O-N 2.83Å; E397-V399 PolarHBondContact O-N 3.13Å; V399-W401 VanDerWaalsContact C-N 3.32Å; V399-W401 PolarHBondContact O-N 3.02Å; V399-M402 HydrophobicContact CB-CE 4.36Å; V399-M402 HydrophobicContact CG2-CE 3.96Å; V399-M402 PolarHBondContact O-N 3.44Å; V399-D403 WeakPolarHBondContact O-CB 3.46Å; V399-D403 PolarHBondContact O-N 3.22Å; V399-A441 HydrophobicContact CG1-CB 4.16Å; V399-A441 HydrophobicContact CG2-CB 3.63Å
400	D	98.6	Very high	98.3	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-37.3	172.4	-177.9	49.3	0	0	0	112	K385 E397 K404	K385-D400 HydrophobicContact CD-CB 4.46Å; K385-D400 WeakPolarHBondContact CD-OD1 3.22Å; K385-D400 WeakPolarHBondContact CE-OD1 3.5Å; K385-D400 IonicContact NZ-OD1 3.72Å; K385-D400 PolarHBondContact NZ-OD1 3.19Å; E397-D400 PolarHBondContact O-N 3.26Å; D400-K404 WeakPolarHBondContact O-CG 3.44Å; D400-K404 PolarHBondContact O-N 3.42Å; D400-K404 IonicContact OD1-NZ 2.66Å; D400-K404 WeakPolarHBondContact OD2-CE 3.49Å; D400-K404 IonicContact OD2-NZ 3.05Å; D400-K404 PolarHBondContact OD2-NZ 3.45Å
401	W	98.6	Very high	98.4	Very high	134 Å²	134	48.5 Å²	48.5	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-68.7	-45	175	-171.4	14.4	0	0	0	112.1	E397 G398 V399 D403 K404 M405 L425	E397-W401 WeakPolarHBondContact O-CB 3.08Å; E397-W401 PolarHBondContact O-N 3.08Å; G398-W401 PolarHBondContact O-N 3.36Å; V399-W401 VanDerWaalsContact C-N 3.32Å; V399-W401 PolarHBondContact O-N 3.02Å; W401-D403 VanDerWaalsContact C-N 3.3Å; W401-D403 PolarHBondContact O-N 3.15Å; W401-K404 PolarHBondContact O-N 3.13Å; W401-M405 WeakPolarHBondContact O-CG 3.47Å; W401-M405 PolarHBondContact O-N 2.58Å; W401-L425 HydrophobicContact CB-CD2 4.12Å; W401-L425 HydrophobicContact CD2-CD1 4.44Å; W401-L425 HydrophobicContact CD2-CD2 3.69Å; W401-L425 HydrophobicContact CE3-CD1 3.55Å; W401-L425 HydrophobicContact CE3-CD2 3.64Å; W401-L425 HydrophobicContact CE3-CG 4.22Å; W401-L425 HydrophobicContact CG-CD2 3.92Å; W401-L425 HydrophobicContact CZ3-CD1 3.81Å; W401-L425 HydrophobicContact CZ3-CD2 4.27Å
402	M	98.3	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-43	173.7	-76.1	-166.7	-54.2	0	0	111.4	V381 G398 V399 K404 M405 M406 I422 L425 I429 A441 V445	V381-M402 HydrophobicContact CG1-CB 3.93Å; G398-M402 WeakPolarHBondContact O-CB 3.33Å; G398-M402 VanDerWaalsContact O-CG 3.32Å; G398-M402 WeakPolarHBondContact O-CG 3.34Å; G398-M402 PolarHBondContact O-N 2.97Å; V399-M402 HydrophobicContact CB-CE 4.36Å; V399-M402 HydrophobicContact CG2-CE 3.96Å; V399-M402 PolarHBondContact O-N 3.44Å; M402-K404 PolarHBondContact O-N 3.43Å; M402-M405 PolarHBondContact O-N 2.92Å; M402-M406 WeakPolarHBondContact O-CB 3.32Å; M402-M406 VanDerWaalsContact O-CG 3.28Å; M402-M406 WeakPolarHBondContact O-CG 3.26Å; M402-M406 PolarHBondContact O-N 3.19Å; M402-I422 HydrophobicContact CG-CG1 4.27Å; M402-L425 HydrophobicContact CB-CD2 4.46Å; M402-L425 HydrophobicContact CG-CD2 3.51Å; M402-L425 HydrophobicContact CG-CG 3.89Å; M402-I429 HydrophobicContact CE-CD1 3.32Å; M402-I429 HydrophobicContact CG-CD1 4.02Å; M402-I429 HydrophobicContact SD-CD1 3.61Å; M402-A441 HydrophobicContact CE-CB 4.21Å; M402-V445 HydrophobicContact SD-CG2 4.44Å
403	D	98.8	Very high	98.3	Very high	10 Å²	10	48 Å²	48	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-49.9	176.2	176.7	56.3	0	0	0	111.6	V381 E382 K385 V399 W401 M405 M406 W407	V381-D403 HydrophobicContact CG1-CB 4.01Å; E382-D403 WeakPolarHBondContact CA-OD1 3.31Å; E382-D403 WeakPolarHBondContact CB-OD1 3.36Å; K385-D403 HydrophobicContact CD-CB 3.86Å; K385-D403 VanDerWaalsContact CD-OD2 3.22Å; K385-D403 WeakPolarHBondContact CD-OD2 3.3Å; K385-D403 IonicContact NZ-OD2 3.62Å; K385-D403 PolarHBondContact NZ-OD2 2.86Å; V399-D403 WeakPolarHBondContact O-CB 3.46Å; V399-D403 PolarHBondContact O-N 3.22Å; W401-D403 VanDerWaalsContact C-N 3.3Å; W401-D403 PolarHBondContact O-N 3.15Å; D403-M405 VanDerWaalsContact C-N 3.33Å; D403-M405 PolarHBondContact O-N 2.73Å; D403-M406 PolarHBondContact O-N 3.31Å; D403-W407 VanDerWaalsContact O-CD1 3.28Å; D403-W407 PolarHBondContact O-N 3.44Å; D403-W407 PolarHBondContact OD1-NE1 3.47Å
404	K	98.6	Very high	98.3	Very high	115 Å²	115	44.6 Å²	44.6	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-59.5	-42.5	177.1	-69	169.5	-168.6	161.4	0	112.2	D400 W401 M402 R408	D400-K404 WeakPolarHBondContact O-CG 3.44Å; D400-K404 PolarHBondContact O-N 3.42Å; D400-K404 IonicContact OD1-NZ 2.66Å; D400-K404 WeakPolarHBondContact OD2-CE 3.49Å; D400-K404 IonicContact OD2-NZ 3.05Å; D400-K404 PolarHBondContact OD2-NZ 3.45Å; W401-K404 PolarHBondContact O-N 3.13Å; M402-K404 PolarHBondContact O-N 3.43Å; K404-R408 WeakPolarHBondContact O-CG 3.28Å; K404-R408 PolarHBondContact O-N 2.75Å
405	M	98.6	Very high	98.2	Very high	5 Å²	5	44 Å²	44	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-44.8	176.8	-67.9	-177.3	78.2	0	0	111.5	W401 M402 D403 W407 R408 F409 E418 M421 I422 L425	W401-M405 WeakPolarHBondContact O-CG 3.47Å; W401-M405 PolarHBondContact O-N 2.58Å; M402-M405 PolarHBondContact O-N 2.92Å; D403-M405 VanDerWaalsContact C-N 3.33Å; D403-M405 PolarHBondContact O-N 2.73Å; M405-W407 PolarHBondContact O-N 2.83Å; M405-R408 WeakPolarHBondContact O-CA 3.44Å; M405-R408 WeakPolarHBondContact O-CB 3.38Å; M405-R408 PolarHBondContact O-N 3.12Å; M405-F409 HydrophobicContact CB-CE2 4.27Å; M405-F409 WeakPolarHBondContact O-CD2 3.29Å; M405-F409 PolarHBondContact O-N 3.45Å; M405-E418 HydrophobicContact CE-CB 4.17Å; M405-M421 HydrophobicContact CE-CB 4.21Å; M405-I422 HydrophobicContact CB-CD1 3.87Å; M405-I422 HydrophobicContact CB-CG1 4.5Å; M405-I422 HydrophobicContact CE-CB 3.72Å; M405-I422 HydrophobicContact CE-CG1 4.43Å; M405-I422 HydrophobicContact SD-CB 4.1Å; M405-I422 HydrophobicContact SD-CG1 4.19Å; M405-L425 HydrophobicContact SD-CD2 4.06Å
406	M	98.7	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-43.8	178.6	-77.6	-53.3	-56.9	0	0	112.1	I374 I377 A378 V381 M402 D403 R408 F409 V410 I422 V445 L448	I374-M406 HydrophobicContact CG2-CE 4.16Å; I377-M406 HydrophobicContact CB-CE 4.39Å; I377-M406 HydrophobicContact CG2-CE 4.16Å; A378-M406 HydrophobicContact CB-CB 3.84Å; A378-M406 HydrophobicContact CB-CE 4.16Å; V381-M406 HydrophobicContact CB-CG 4.47Å; V381-M406 HydrophobicContact CG2-CG 4.12Å; M402-M406 WeakPolarHBondContact O-CB 3.32Å; M402-M406 VanDerWaalsContact O-CG 3.28Å; M402-M406 WeakPolarHBondContact O-CG 3.26Å; M402-M406 PolarHBondContact O-N 3.19Å; D403-M406 PolarHBondContact O-N 3.31Å; M406-R408 VanDerWaalsContact C-N 3.28Å; M406-R408 PolarHBondContact O-N 2.85Å; M406-F409 WeakPolarHBondContact O-CB 3.39Å; M406-F409 PolarHBondContact O-N 3.32Å; M406-F409 VanDerWaalsContact O-N 3.13Å; M406-F409 HydrophobicContact SD-CD2 4.18Å; M406-V410 WeakPolarHBondContact O-CG2 3.29Å; M406-V410 PolarHBondContact O-N 3.04Å; M406-I422 HydrophobicContact CG-CD1 3.9Å; M406-I422 HydrophobicContact SD-CD1 3.67Å; M406-V445 HydrophobicContact CG-CG2 4.29Å; M406-V445 HydrophobicContact SD-CG1 4.27Å; M406-V445 HydrophobicContact SD-CG2 4.21Å; M406-L448 HydrophobicContact CE-CD2 3.52Å; M406-L448 HydrophobicContact SD-CD2 4.4Å
407	W	98.6	Very high	98.1	Very high	57 Å²	57	45.8 Å²	45.8	22%	0.216	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-26.9	175.6	-78.7	110.5	0	0	0	113.8	R375 A378 E382 D403 M405 V410 R411	R375-W407 HydrophobicContact CG-CZ3 4.5Å; A378-W407 HydrophobicContact CB-CD2 4.5Å; E382-W407 WeakPolarHBondContact OE2-CZ2 3.35Å; D403-W407 VanDerWaalsContact O-CD1 3.28Å; D403-W407 PolarHBondContact O-N 3.44Å; D403-W407 PolarHBondContact OD1-NE1 3.47Å; M405-W407 PolarHBondContact O-N 2.83Å; W407-V410 HydrophobicContact CE3-CB 4.08Å; W407-V410 HydrophobicContact CE3-CG1 4.09Å; W407-V410 HydrophobicContact CE3-CG2 4.12Å; W407-V410 HydrophobicContact CZ3-CB 4.49Å; W407-V410 HydrophobicContact CZ3-CG1 4.08Å; W407-V410 HydrophobicContact CZ3-CG2 4.42Å; W407-R411 PolarHBondContact O-N 3.33Å
408	R	98.4	Very high	98.1	Very high	75 Å²	75	42.3 Å²	42.3	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-69.1	-43.3	168.4	-72.7	176.1	64	-141.9	-9.3	111.6	K404 M405 M406 V410 R411 G412 D413 E418	K404-R408 WeakPolarHBondContact O-CG 3.28Å; K404-R408 PolarHBondContact O-N 2.75Å; M405-R408 WeakPolarHBondContact O-CA 3.44Å; M405-R408 WeakPolarHBondContact O-CB 3.38Å; M405-R408 PolarHBondContact O-N 3.12Å; M406-R408 VanDerWaalsContact C-N 3.28Å; M406-R408 PolarHBondContact O-N 2.85Å; R408-V410 VanDerWaalsContact C-N 3.31Å; R408-V410 PolarHBondContact O-N 3.42Å; R408-R411 CarbonylContact O-C 3.23Å; R408-R411 PolarHBondContact O-N 2.73Å; R408-R411 VanDerWaalsContact O-N 3.14Å; R408-G412 PolarHBondContact O-N 3.06Å; R408-D413 PolarHBondContact NE-O 2.99Å; R408-D413 PolarHBondContact NH2-O 3.49Å; R408-D413 VanDerWaalsContact NH2-O 3.08Å; R408-D413 PolarHBondContact O-N 3.08Å; R408-E418 IonicContact CZ-OE1 2.84Å; R408-E418 IonicContact CZ-OE2 3.98Å; R408-E418 IonicContact NH1-OE1 2.78Å; R408-E418 IonicContact NH1-OE2 2.69Å; R408-E418 PolarHBondContact NH1-OE2 3.46Å; R408-E418 IonicContact NH2-OE1 3.71Å; R408-E418 PolarHBondContact NH2-OE1 3.05Å; R408-E418 IonicContact NH2-OE2 3.04Å; R408-E418 PolarHBondContact NH2-OE2 2.8Å; R408-E418 VanDerWaalsContact NH2-OE2 3.12Å
409	F	98.6	Very high	98.1	Very high	2 Å²	2	42 Å²	42	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-38.2	172.8	-69.9	-57.9	0	0	0	112.6	I374 M405 M406 R411 G412 A414 E418 I419 I422 M456 R459 I460	I374-F409 HydrophobicContact CG2-CB 4.01Å; M405-F409 HydrophobicContact CB-CE2 4.27Å; M405-F409 WeakPolarHBondContact O-CD2 3.29Å; M405-F409 PolarHBondContact O-N 3.45Å; M406-F409 WeakPolarHBondContact O-CB 3.39Å; M406-F409 PolarHBondContact O-N 3.32Å; M406-F409 VanDerWaalsContact O-N 3.13Å; M406-F409 HydrophobicContact SD-CD2 4.18Å; F409-R411 VanDerWaalsContact C-N 3.31Å; F409-R411 PolarHBondContact O-N 3.1Å; F409-G412 PolarHBondContact O-N 3.47Å; F409-G412 VanDerWaalsContact O-N 3.07Å; F409-A414 HydrophobicContact CD1-CB 3.69Å; F409-A414 HydrophobicContact CE1-CB 3.6Å; F409-A414 HydrophobicContact CZ-CB 4.41Å; F409-E418 HydrophobicContact CE1-CB 4.21Å; F409-E418 HydrophobicContact CZ-CB 3.77Å; F409-I419 HydrophobicContact CE1-CG1 3.76Å; F409-I419 HydrophobicContact CZ-CG1 4.11Å; F409-I422 HydrophobicContact CD2-CD1 4.37Å; F409-I422 HydrophobicContact CE2-CB 4.19Å; F409-I422 HydrophobicContact CE2-CD1 3.98Å; F409-I422 HydrophobicContact CE2-CG2 3.75Å; F409-I422 HydrophobicContact CZ-CG2 4.14Å; F409-M456 HydrophobicContact CB-CE 4.13Å; F409-M456 HydrophobicContact CD1-CE 3.75Å; F409-M456 HydrophobicContact CD2-CE 3.71Å; F409-M456 HydrophobicContact CE1-CE 4.04Å; F409-M456 HydrophobicContact CE2-CE 4.01Å; F409-M456 HydrophobicContact CG-CE 3.58Å; F409-M456 HydrophobicContact CZ-CE 4.17Å; F409-R459 WeakPolarHBondContact O-CG 3.31Å; F409-I460 HydrophobicContact CD1-CD1 4.06Å; F409-I460 HydrophobicContact CE1-CD1 4.01Å
410	V	98.5	Very high	98.1	Very high	16 Å²	16	45.2 Å²	45.2	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-44.2	173.8	172.3	0	0	0	0	111.1	I374 R375 A378 M406 W407 R408 G412 R459	I374-V410 HydrophobicContact CG2-CG2 3.96Å; R375-V410 HydrophobicContact CB-CG1 4.21Å; R375-V410 HydrophobicContact CB-CG2 4.16Å; R375-V410 HydrophobicContact CG-CG1 4.36Å; A378-V410 HydrophobicContact CB-CG2 3.58Å; M406-V410 WeakPolarHBondContact O-CG2 3.29Å; M406-V410 PolarHBondContact O-N 3.04Å; W407-V410 HydrophobicContact CE3-CB 4.08Å; W407-V410 HydrophobicContact CE3-CG1 4.09Å; W407-V410 HydrophobicContact CE3-CG2 4.12Å; W407-V410 HydrophobicContact CZ3-CB 4.49Å; W407-V410 HydrophobicContact CZ3-CG1 4.08Å; W407-V410 HydrophobicContact CZ3-CG2 4.42Å; R408-V410 VanDerWaalsContact C-N 3.31Å; R408-V410 PolarHBondContact O-N 3.42Å; V410-G412 VanDerWaalsContact C-N 3.31Å; V410-R459 PolarHBondContact O-NH1 3.08Å
411	R	97.9	Very high	98.1	Very high	148 Å²	148	47.7 Å²	47.7	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-73.7	-21.2	176.5	-67	-175.1	-66.7	-121.9	0.7	113.6	W407 R408 F409 D413 H463	W407-R411 PolarHBondContact O-N 3.33Å; R408-R411 CarbonylContact O-C 3.23Å; R408-R411 PolarHBondContact O-N 2.73Å; R408-R411 VanDerWaalsContact O-N 3.14Å; F409-R411 VanDerWaalsContact C-N 3.31Å; F409-R411 PolarHBondContact O-N 3.1Å; R411-D413 VanDerWaalsContact C-N 3.27Å; R411-D413 HydrophobicContact CB-CB 4.26Å; R411-H463 PolarHBondContact O-ND1 3Å
412	G	97.6	Very high	98.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	8	-168.5	0	0	0	0	0	114.1	R408 F409 V410 A414 H463	R408-G412 PolarHBondContact O-N 3.06Å; F409-G412 PolarHBondContact O-N 3.47Å; F409-G412 VanDerWaalsContact O-N 3.07Å; V410-G412 VanDerWaalsContact C-N 3.31Å; G412-A414 PolarHBondContact O-N 3.37Å; G412-H463 VanDerWaalsContact O-CB 3.27Å; G412-H463 WeakPolarHBondContact O-CB 3.15Å
413	D	96.9	Very high	98.1	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	22%	0.221	S	C	.	.			trans	-85.9	60.3	-179.6	-178.2	25.6	0	0	0	111.1	R408 R411	R408-D413 PolarHBondContact NE-O 2.99Å; R408-D413 PolarHBondContact NH2-O 3.49Å; R408-D413 VanDerWaalsContact NH2-O 3.08Å; R408-D413 PolarHBondContact O-N 3.08Å; R411-D413 VanDerWaalsContact C-N 3.27Å; R411-D413 HydrophobicContact CB-CB 4.26Å
414	A	96.9	Very high	98.1	Very high	10 Å²	10	50.4 Å²	50.4	8%	0.083	25%	0.245	C	C	.	.	S	Bend	trans	-145.6	158.8	-177.7	0	0	0	0	0	111	F409 G412 I460	F409-A414 HydrophobicContact CD1-CB 3.69Å; F409-A414 HydrophobicContact CE1-CB 3.6Å; F409-A414 HydrophobicContact CZ-CB 4.41Å; G412-A414 PolarHBondContact O-N 3.37Å; A414-I460 HydrophobicContact CB-CD1 4.28Å; A414-I460 HydrophobicContact CB-CG1 4.36Å; A414-I460 WeakPolarHBondContact O-CG2 3.44Å
415	A	96.5	Very high	98.1	Very high	31 Å²	31	45.5 Å²	45.5	26%	0.256	22%	0.224	S	C	.	.			trans	-85.6	153.1	166.6	0	0	0	0	0	111.3	S417 E418	A415-S417 PolarHBondContact O-N 2.91Å; A415-E418 HydrophobicContact CB-CG 4.15Å; A415-E418 PolarHBondContact N-OE1 3.49Å; A415-E418 VanDerWaalsContact O-CB 3.31Å; A415-E418 WeakPolarHBondContact O-CB 3.46Å; A415-E418 PolarHBondContact O-N 3.19Å
416	V	97.3	Very high	98.1	Very high	59 Å²	59	45.2 Å²	45.2	36%	0.358	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.9	177.3	174.5	0	0	0	0	111.1	E418 I419 E457 I460	V416-E418 PolarHBondContact O-N 2.96Å; V416-I419 WeakPolarHBondContact O-CB 3.14Å; V416-I419 WeakPolarHBondContact O-CG1 3.38Å; V416-I419 PolarHBondContact O-N 3.35Å; V416-I419 VanDerWaalsContact O-N 3.11Å; V416-E457 HydrophobicContact CG1-CG 4.22Å; V416-I460 HydrophobicContact CG2-CD1 4.49Å; V416-I460 HydrophobicContact CG2-CG2 4.14Å
417	S	97.9	Very high	98.1	Very high	74 Å²	74	49 Å²	49	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-24.4	174.9	55.1	0	0	0	0	113.4	A415 I419 D420 M421	A415-S417 PolarHBondContact O-N 2.91Å; S417-I419 PolarHBondContact O-N 3.09Å; S417-D420 PolarHBondContact O-N 3.42Å; S417-M421 WeakPolarHBondContact O-CG 3.46Å; S417-M421 PolarHBondContact O-N 2.9Å
418	E	98.4	Very high	98	Very high	25 Å²	25	51.8 Å²	51.8	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-19.2	178.4	-64	-179.4	-130.2	0	0	112.4	M405 R408 F409 A415 V416 D420 M421 I422	M405-E418 HydrophobicContact CE-CB 4.17Å; R408-E418 IonicContact CZ-OE1 2.84Å; R408-E418 IonicContact CZ-OE2 3.98Å; R408-E418 IonicContact NH1-OE1 2.78Å; R408-E418 IonicContact NH1-OE2 2.69Å; R408-E418 PolarHBondContact NH1-OE2 3.46Å; R408-E418 IonicContact NH2-OE1 3.71Å; R408-E418 PolarHBondContact NH2-OE1 3.05Å; R408-E418 IonicContact NH2-OE2 3.04Å; R408-E418 PolarHBondContact NH2-OE2 2.8Å; R408-E418 VanDerWaalsContact NH2-OE2 3.12Å; F409-E418 HydrophobicContact CE1-CB 4.21Å; F409-E418 HydrophobicContact CZ-CB 3.77Å; A415-E418 HydrophobicContact CB-CG 4.15Å; A415-E418 PolarHBondContact N-OE1 3.49Å; A415-E418 VanDerWaalsContact O-CB 3.31Å; A415-E418 WeakPolarHBondContact O-CB 3.46Å; A415-E418 PolarHBondContact O-N 3.19Å; V416-E418 PolarHBondContact O-N 2.96Å; E418-D420 VanDerWaalsContact C-N 3.32Å; E418-M421 HydrophobicContact CB-SD 4.48Å; E418-M421 HydrophobicContact CG-SD 4.03Å; E418-M421 PolarHBondContact O-N 3.14Å; E418-I422 WeakPolarHBondContact O-CG2 3.26Å; E418-I422 PolarHBondContact O-N 2.9Å
419	I	98.6	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-42.1	174.4	-60.7	174.1	0	0	0	109.8	F409 V416 S417 I422 W423 I449 R453 M456 E457 I460	F409-I419 HydrophobicContact CE1-CG1 3.76Å; F409-I419 HydrophobicContact CZ-CG1 4.11Å; V416-I419 WeakPolarHBondContact O-CB 3.14Å; V416-I419 WeakPolarHBondContact O-CG1 3.38Å; V416-I419 PolarHBondContact O-N 3.35Å; V416-I419 VanDerWaalsContact O-N 3.11Å; S417-I419 PolarHBondContact O-N 3.09Å; I419-I422 WeakPolarHBondContact O-CG2 3.47Å; I419-W423 PolarHBondContact O-N 2.87Å; I419-W423 VanDerWaalsContact O-N 3.16Å; I419-I449 HydrophobicContact CG2-CG1 4.26Å; I419-I449 HydrophobicContact CG2-CG2 3.86Å; I419-R453 HydrophobicContact CD1-CG 4.47Å; I419-R453 HydrophobicContact CG2-CG 4.32Å; I419-M456 HydrophobicContact CD1-CB 3.93Å; I419-M456 HydrophobicContact CG1-CE 4.19Å; I419-E457 HydrophobicContact CD1-CG 3.7Å; I419-I460 HydrophobicContact CD1-CD1 4.16Å; I419-I460 HydrophobicContact CG1-CD1 4.4Å
420	D	98.3	Very high	97.9	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-73.2	-35.1	176.4	-61.1	-46.7	0	0	0	110.9	S417 E418 W423 E424 R453	S417-D420 PolarHBondContact O-N 3.42Å; E418-D420 VanDerWaalsContact C-N 3.32Å; D420-W423 WeakPolarHBondContact O-CB 3.44Å; D420-W423 PolarHBondContact O-N 3.06Å; D420-E424 WeakPolarHBondContact O-CG 3.36Å; D420-E424 PolarHBondContact O-N 3.43Å; D420-R453 VanDerWaalsContact CG-NH2 3.31Å; D420-R453 IonicContact OD1-CZ 3.94Å; D420-R453 VanDerWaalsContact OD1-CZ 3.32Å; D420-R453 IonicContact OD1-NH1 2.77Å; D420-R453 PolarHBondContact OD1-NH1 3.49Å; D420-R453 IonicContact OD1-NH2 3.79Å; D420-R453 PolarHBondContact OD1-NH2 2.81Å; D420-R453 IonicContact OD2-CZ 2.8Å; D420-R453 IonicContact OD2-NH2 2.61Å; D420-R453 PolarHBondContact OD2-NH2 3.06Å
421	M	98.3	Very high	97.7	Very high	90 Å²	90	52.9 Å²	52.9	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-45.1	174.1	-64.4	173.8	62.7	0	0	112.7	M405 S417 E418 W423 E424 L425	M405-M421 HydrophobicContact CE-CB 4.21Å; S417-M421 WeakPolarHBondContact O-CG 3.46Å; S417-M421 PolarHBondContact O-N 2.9Å; E418-M421 HydrophobicContact CB-SD 4.48Å; E418-M421 HydrophobicContact CG-SD 4.03Å; E418-M421 PolarHBondContact O-N 3.14Å; M421-W423 VanDerWaalsContact C-N 3.27Å; M421-W423 PolarHBondContact O-N 3.32Å; M421-E424 PolarHBondContact O-N 2.98Å; M421-L425 WeakPolarHBondContact O-CB 3.42Å; M421-L425 PolarHBondContact O-N 3.22Å
422	I	98.5	Very high	97.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-29.9	178.1	-165.6	175.6	0	0	0	111.1	M402 M405 M406 F409 E418 I419 S426 V445 I449	M402-I422 HydrophobicContact CG-CG1 4.27Å; M405-I422 HydrophobicContact CB-CD1 3.87Å; M405-I422 HydrophobicContact CB-CG1 4.5Å; M405-I422 HydrophobicContact CE-CB 3.72Å; M405-I422 HydrophobicContact CE-CG1 4.43Å; M405-I422 HydrophobicContact SD-CB 4.1Å; M405-I422 HydrophobicContact SD-CG1 4.19Å; M406-I422 HydrophobicContact CG-CD1 3.9Å; M406-I422 HydrophobicContact SD-CD1 3.67Å; F409-I422 HydrophobicContact CD2-CD1 4.37Å; F409-I422 HydrophobicContact CE2-CB 4.19Å; F409-I422 HydrophobicContact CE2-CD1 3.98Å; F409-I422 HydrophobicContact CE2-CG2 3.75Å; F409-I422 HydrophobicContact CZ-CG2 4.14Å; E418-I422 WeakPolarHBondContact O-CG2 3.26Å; E418-I422 PolarHBondContact O-N 2.9Å; I419-I422 WeakPolarHBondContact O-CG2 3.47Å; I422-S426 WeakPolarHBondContact O-CB 3.29Å; I422-S426 PolarHBondContact O-N 3.32Å; I422-V445 HydrophobicContact CD1-CG1 3.8Å; I422-V445 HydrophobicContact CG1-CG1 3.95Å; I422-I449 HydrophobicContact CG2-CD1 3.69Å
423	W	98.5	Very high	97.7	Very high	83 Å²	83	53 Å²	53	31%	0.314	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-50.2	170.3	175.8	-89.1	0	0	0	111.2	I419 D420 M421 L425 S426 K427 Q446 I449	I419-W423 PolarHBondContact O-N 2.87Å; I419-W423 VanDerWaalsContact O-N 3.16Å; D420-W423 WeakPolarHBondContact O-CB 3.44Å; D420-W423 PolarHBondContact O-N 3.06Å; M421-W423 VanDerWaalsContact C-N 3.27Å; M421-W423 PolarHBondContact O-N 3.32Å; W423-L425 PolarHBondContact O-N 3.04Å; W423-S426 WeakPolarHBondContact O-CB 3.25Å; W423-S426 PolarHBondContact O-N 3.28Å; W423-S426 PolarHBondContact O-OG 2.97Å; W423-K427 PolarHBondContact O-N 3.11Å; W423-K427 VanDerWaalsContact O-N 3.14Å; W423-Q446 HydrophobicContact CE3-CB 4.32Å; W423-Q446 HydrophobicContact CE3-CG 4.21Å; W423-Q446 HydrophobicContact CH2-CB 4.41Å; W423-Q446 HydrophobicContact CZ3-CB 3.79Å; W423-Q446 HydrophobicContact CZ3-CG 4.04Å; W423-I449 HydrophobicContact CB-CD1 4.08Å; W423-I449 HydrophobicContact CE3-CB 4.13Å; W423-I449 HydrophobicContact CE3-CD1 4.16Å; W423-I449 HydrophobicContact CE3-CG2 3.97Å
424	E	98.4	Very high	97.6	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-59.2	-45	176.2	-72.6	177.7	-177	0	0	112	D420 M421 S426 K427 Q428	D420-E424 WeakPolarHBondContact O-CG 3.36Å; D420-E424 PolarHBondContact O-N 3.43Å; M421-E424 PolarHBondContact O-N 2.98Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.38Å; E424-K427 PolarHBondContact O-N 2.97Å; E424-Q428 WeakPolarHBondContact O-CG 3.38Å; E424-Q428 PolarHBondContact O-N 2.91Å
425	L	98.4	Very high	97.6	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-56.6	-46	174.6	176.7	58.8	0	0	0	111.1	W401 M402 M405 M421 W423 K427 Q428 I429	W401-L425 HydrophobicContact CB-CD2 4.12Å; W401-L425 HydrophobicContact CD2-CD1 4.44Å; W401-L425 HydrophobicContact CD2-CD2 3.69Å; W401-L425 HydrophobicContact CE3-CD1 3.55Å; W401-L425 HydrophobicContact CE3-CD2 3.64Å; W401-L425 HydrophobicContact CE3-CG 4.22Å; W401-L425 HydrophobicContact CG-CD2 3.92Å; W401-L425 HydrophobicContact CZ3-CD1 3.81Å; W401-L425 HydrophobicContact CZ3-CD2 4.27Å; M402-L425 HydrophobicContact CB-CD2 4.46Å; M402-L425 HydrophobicContact CG-CD2 3.51Å; M402-L425 HydrophobicContact CG-CG 3.89Å; M405-L425 HydrophobicContact SD-CD2 4.06Å; M421-L425 WeakPolarHBondContact O-CB 3.42Å; M421-L425 PolarHBondContact O-N 3.22Å; W423-L425 PolarHBondContact O-N 3.04Å; L425-K427 PolarHBondContact O-N 3.25Å; L425-Q428 PolarHBondContact O-N 2.97Å; L425-Q428 VanDerWaalsContact O-N 3.08Å; L425-I429 HydrophobicContact CD1-CD1 4.31Å; L425-I429 HydrophobicContact CD1-CG1 4.48Å; L425-I429 HydrophobicContact CG-CD1 4.22Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 2.89Å; L425-I429 VanDerWaalsContact O-N 3.08Å
426	S	98.4	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-33.4	178.1	83.1	0	0	0	0	112.3	I422 W423 E424 I429 E430 A442 Q446	I422-S426 WeakPolarHBondContact O-CB 3.29Å; I422-S426 PolarHBondContact O-N 3.32Å; W423-S426 WeakPolarHBondContact O-CB 3.25Å; W423-S426 PolarHBondContact O-N 3.28Å; W423-S426 PolarHBondContact O-OG 2.97Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.38Å; S426-I429 PolarHBondContact O-N 3.04Å; S426-E430 WeakPolarHBondContact O-CB 3.48Å; S426-E430 PolarHBondContact O-N 3.04Å; S426-A442 WeakPolarHBondContact O-CB 3.28Å; S426-Q446 WeakPolarHBondContact OG-CG 3.39Å; S426-Q446 PolarHBondContact OG-NE2 3.49Å; S426-Q446 VanDerWaalsContact OG-NE2 3.09Å
427	K	98.3	Very high	97.6	Very high	79 Å²	79	51.1 Å²	51.1	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-77.8	-25.4	176.8	-66.1	-65.8	169.3	-164	0	113.6	W423 E424 L425 I429 E430 Q446	W423-K427 PolarHBondContact O-N 3.11Å; W423-K427 VanDerWaalsContact O-N 3.14Å; E424-K427 PolarHBondContact O-N 2.97Å; L425-K427 PolarHBondContact O-N 3.25Å; K427-I429 VanDerWaalsContact C-N 3.32Å; K427-E430 WeakPolarHBondContact CD-OE2 3.32Å; K427-E430 IonicContact NZ-OE2 3.24Å; K427-E430 PolarHBondContact NZ-OE2 3.33Å; K427-Q446 VanDerWaalsContact NZ-CD 3.32Å
428	Q	98.1	Very high	97.6	Very high	116 Å²	116	47.6 Å²	47.6	54%	0.542	25%	0.254	S	S	.	.	H	α-helix	trans	-76.2	-22.9	171	-68.4	176.4	2	0	0	112.4	E424 L425 H432	E424-Q428 WeakPolarHBondContact O-CG 3.38Å; E424-Q428 PolarHBondContact O-N 2.91Å; L425-Q428 PolarHBondContact O-N 2.97Å; L425-Q428 VanDerWaalsContact O-N 3.08Å; Q428-H432 WeakPolarHBondContact O-CB 3.03Å; Q428-H432 PolarHBondContact O-ND1 3.44Å
429	I	98.1	Very high	97.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-81.9	-52.9	173.3	-61.9	169	0	0	0	109.8	G398 M402 L425 S426 K427 G431 H432 T433	G398-I429 VanDerWaalsContact C-CD1 3.46Å; M402-I429 HydrophobicContact CE-CD1 3.32Å; M402-I429 HydrophobicContact CG-CD1 4.02Å; M402-I429 HydrophobicContact SD-CD1 3.61Å; L425-I429 HydrophobicContact CD1-CD1 4.31Å; L425-I429 HydrophobicContact CD1-CG1 4.48Å; L425-I429 HydrophobicContact CG-CD1 4.22Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 2.89Å; L425-I429 VanDerWaalsContact O-N 3.08Å; S426-I429 PolarHBondContact O-N 3.04Å; K427-I429 VanDerWaalsContact C-N 3.32Å; I429-G431 PolarHBondContact O-N 3.16Å; I429-H432 PolarHBondContact O-N 2.88Å; I429-H432 VanDerWaalsContact O-N 3.14Å; I429-T433 HydrophobicContact CG2-CG2 4.06Å; I429-T433 WeakPolarHBondContact O-CG2 3.49Å
430	E	96.5	Very high	97.4	Very high	48 Å²	48	48 Å²	48	22%	0.224	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130	-179.9	-175.4	179.3	-168.1	0	0	111	S426 K427 H432 D439 A442 W443 Q446	S426-E430 WeakPolarHBondContact O-CB 3.48Å; S426-E430 PolarHBondContact O-N 3.04Å; K427-E430 WeakPolarHBondContact CD-OE2 3.32Å; K427-E430 IonicContact NZ-OE2 3.24Å; K427-E430 PolarHBondContact NZ-OE2 3.33Å; E430-H432 PolarHBondContact O-N 3.46Å; E430-H432 VanDerWaalsContact O-N 3.11Å; E430-H432 PolarHBondContact O-ND1 2.88Å; E430-D439 WeakPolarHBondContact CA-OD1 3.47Å; E430-A442 HydrophobicContact CB-CB 4.43Å; E430-W443 PolarHBondContact OE1-NE1 3.24Å; E430-Q446 PolarHBondContact OE2-NE2 2.96Å; E430-Q446 PolarHBondContact OE2-OE1 2.8Å
431	G	94.6	Very high	97.4	Very high	65 Å²	65	44.7 Å²	44.7	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-4.5	178.9	0	0	0	0	0	116.5	I429 D439	I429-G431 PolarHBondContact O-N 3.16Å; G431-D439 PolarHBondContact N-OD1 2.97Å
432	H	97.1	Very high	97.4	Very high	129 Å²	129	40.4 Å²	40.4	60%	0.597	22%	0.219	S	C	*	.	S	Bend	trans	-109.5	9	178.1	-58.5	87.3	0	0	0	112.8	P394 Q428 I429 E430	P394-H432 HydrophobicContact CB-CB 4.33Å; P394-H432 HydrophobicContact CG-CB 4.21Å; P394-H432 WeakPolarHBondContact CG-O 3.27Å; Q428-H432 WeakPolarHBondContact O-CB 3.03Å; Q428-H432 PolarHBondContact O-ND1 3.44Å; I429-H432 PolarHBondContact O-N 2.88Å; I429-H432 VanDerWaalsContact O-N 3.14Å; E430-H432 PolarHBondContact O-N 3.46Å; E430-H432 VanDerWaalsContact O-N 3.11Å; E430-H432 PolarHBondContact O-ND1 2.88Å
433	T	96.9	Very high	97.4	Very high	24 Å²	24	43.9 Å²	43.9	15%	0.147	23%	0.232	C	C	.	.	S	Bend	trans	-103.3	157.4	179.1	52.3	0	0	0	0	112.1	P394 C395 I429 C435	P394-T433 HydrophobicContact CB-CG2 4.03Å; C395-T433 HydrophobicContact CB-CG2 3.62Å; I429-T433 HydrophobicContact CG2-CG2 4.06Å; I429-T433 WeakPolarHBondContact O-CG2 3.49Å; T433-C435 VanDerWaalsContact C-N 3.31Å; T433-C435 WeakPolarHBondContact CB-O 3.48Å; T433-C435 PolarHBondContact O-N 3.49Å; T433-C435 PolarHBondContact OG1-O 3.04Å
434	I	96.4	Very high	97.4	Very high	49 Å²	49	40 Å²	40	25%	0.251	22%	0.217	S	C	.	.	S	Bend	trans	-66.2	-37.1	178.8	-66.9	170.4	0	0	0	111.3	P233 L235 Q391 C392	P233-I434 HydrophobicContact CB-CG2 4Å; L235-I434 HydrophobicContact CD1-CG1 4.3Å; L235-I434 HydrophobicContact CD1-CG2 4.35Å; Q391-I434 HydrophobicContact CG-CD1 3.9Å; C392-I434 HydrophobicContact CB-CB 4.45Å; C392-I434 HydrophobicContact CB-CD1 3.75Å; C392-I434 HydrophobicContact CB-CG1 3.78Å
435	C	96.1	Very high	97.4	Very high	16 Å²	16	34.3 Å²	34.3	11%	0.108	19%	0.191	C	C	.	.	S	Bend	trans	-128.5	169.8	-180	75.5	0	0	0	0	111.7	E218 P233 T433 L437	E218-C435 HydrophobicContact CG-CB 3.86Å; P233-C435 HydrophobicContact CB-CB 3.99Å; P233-C435 HydrophobicContact CG-CB 3.8Å; T433-C435 VanDerWaalsContact C-N 3.31Å; T433-C435 WeakPolarHBondContact CB-O 3.48Å; T433-C435 PolarHBondContact O-N 3.49Å; T433-C435 PolarHBondContact OG1-O 3.04Å; C435-L437 PolarHBondContact O-N 3.3Å
436	A	95.9	Very high	97.4	Very high	64 Å²	64	34.1 Å²	34.1	53%	0.529	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.6	-177.6	0	0	0	0	0	114.6	G438 D439 G440	A436-G438 PolarHBondContact O-N 3.22Å; A436-D439 PolarHBondContact O-N 3.2Å; A436-G440 PolarHBondContact O-N 3.13Å
437	L	97.8	Very high	97.5	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-37.2	170.4	-172.6	151.5	0	0	0	110.6	Y214 I215 Y384 E387 C395 C435 G440 A441	Y214-L437 HydrophobicContact CD1-CD1 3.78Å; Y214-L437 HydrophobicContact CE1-CD1 3.69Å; Y214-L437 HydrophobicContact CE1-CG 4.12Å; I215-L437 HydrophobicContact CB-CD1 4.25Å; I215-L437 HydrophobicContact CD1-CB 4.22Å; I215-L437 HydrophobicContact CD1-CD1 3.76Å; I215-L437 HydrophobicContact CG1-CD1 4.48Å; Y384-L437 HydrophobicContact CD1-CD2 4.15Å; Y384-L437 HydrophobicContact CD1-CG 4.04Å; E387-L437 WeakPolarHBondContact O-CD1 3.34Å; C395-L437 WeakPolarHBondContact SG-CD2 3.44Å; C435-L437 PolarHBondContact O-N 3.3Å; L437-G440 PolarHBondContact O-N 2.77Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.47Å
438	G	97.2	Very high	97.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-48	174.8	0	0	0	0	0	112.4	A436 A441 A442	A436-G438 PolarHBondContact O-N 3.22Å; G438-A441 PolarHBondContact O-N 3.44Å; G438-A442 WeakPolarHBondContact O-CB 3.37Å; G438-A442 PolarHBondContact O-N 2.73Å
439	D	97.1	Very high	97.5	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-47.4	176	-52.6	-30.3	0	0	0	110.7	E430 G431 A436 A441 A442 W443	E430-D439 WeakPolarHBondContact CA-OD1 3.47Å; G431-D439 PolarHBondContact N-OD1 2.97Å; A436-D439 PolarHBondContact O-N 3.2Å; D439-A441 PolarHBondContact O-N 2.8Å; D439-A442 PolarHBondContact O-N 2.95Å; D439-A442 VanDerWaalsContact O-N 3.11Å; D439-W443 HydrophobicContact CB-CD2 4.28Å; D439-W443 HydrophobicContact CB-CH2 4.18Å; D439-W443 HydrophobicContact CB-CZ2 3.79Å; D439-W443 WeakPolarHBondContact O-CB 3.12Å; D439-W443 PolarHBondContact O-N 2.8Å
440	G	96.8	Very high	97.5	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-26.2	176.9	0	0	0	0	0	114.5	Y384 A436 L437 P444	Y384-G440 WeakPolarHBondContact CE2-O 3.49Å; Y384-G440 VanDerWaalsContact CZ-O 3.31Å; A436-G440 PolarHBondContact O-N 3.13Å; L437-G440 PolarHBondContact O-N 2.77Å; G440-P444 WeakPolarHBondContact O-CD 3.49Å; G440-P444 VanDerWaalsContact O-CG 3.29Å; G440-P444 WeakPolarHBondContact O-CG 3.35Å
441	A	98	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-81.3	-33.6	173.5	0	0	0	0	0	112.6	Y384 V399 M402 L437 G438 D439	Y384-A441 HydrophobicContact CD1-CB 4.12Å; Y384-A441 HydrophobicContact CD2-CB 4.15Å; Y384-A441 HydrophobicContact CG-CB 3.71Å; V399-A441 HydrophobicContact CG1-CB 4.16Å; V399-A441 HydrophobicContact CG2-CB 3.63Å; M402-A441 HydrophobicContact CE-CB 4.21Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.47Å; G438-A441 PolarHBondContact O-N 3.44Å; D439-A441 PolarHBondContact O-N 2.8Å
442	A	98.6	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-79	-42	-179.4	0	0	0	0	0	112.6	S426 E430 G438 D439 V445 Q446	S426-A442 WeakPolarHBondContact O-CB 3.28Å; E430-A442 HydrophobicContact CB-CB 4.43Å; G438-A442 WeakPolarHBondContact O-CB 3.37Å; G438-A442 PolarHBondContact O-N 2.73Å; D439-A442 PolarHBondContact O-N 2.95Å; D439-A442 VanDerWaalsContact O-N 3.11Å; A442-V445 WeakPolarHBondContact O-CB 3.3Å; A442-V445 PolarHBondContact O-N 3.42Å; A442-Q446 WeakPolarHBondContact O-CG 3.37Å; A442-Q446 PolarHBondContact O-N 3Å
443	W	98.6	Very high	97.8	Very high	73 Å²	73	23.7 Å²	23.7	28%	0.277	12%	0.119	S	C	.	.	H	α-helix	trans	-59.8	-38.5	-173.8	-74.8	-8.3	0	0	0	115.6	S333 P335 E430 D439 V445 Q446 G447	S333-W443 WeakPolarHBondContact O-CB 3.48Å; P335-W443 HydrophobicContact CG-CB 3.93Å; P335-W443 HydrophobicContact CG-CG 4.4Å; E430-W443 PolarHBondContact OE1-NE1 3.24Å; D439-W443 HydrophobicContact CB-CD2 4.28Å; D439-W443 HydrophobicContact CB-CH2 4.18Å; D439-W443 HydrophobicContact CB-CZ2 3.79Å; D439-W443 WeakPolarHBondContact O-CB 3.12Å; D439-W443 PolarHBondContact O-N 2.8Å; W443-V445 VanDerWaalsContact C-N 3.33Å; W443-V445 PolarHBondContact O-N 2.87Å; W443-Q446 PolarHBondContact O-N 2.72Å; W443-G447 PolarHBondContact O-N 3.2Å
444	P	98.6	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-39.4	175.9	-27.4	39.1	0	0	0	112.3	S332 I377 Y384 G440 G447 L448	S332-P444 WeakPolarHBondContact O-CG 3.44Å; I377-P444 HydrophobicContact CD1-CB 4.3Å; I377-P444 HydrophobicContact CG2-CB 4.07Å; Y384-P444 HydrophobicContact CE2-CG 4.39Å; G440-P444 WeakPolarHBondContact O-CD 3.49Å; G440-P444 VanDerWaalsContact O-CG 3.29Å; G440-P444 WeakPolarHBondContact O-CG 3.35Å; P444-G447 PolarHBondContact O-N 3.45Å; P444-L448 WeakPolarHBondContact O-CB 3.22Å; P444-L448 PolarHBondContact O-N 3.32Å
445	V	98.6	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-45.1	175.6	177.8	0	0	0	0	110.4	I377 V381 M402 M406 I422 A442 W443 G447 L448 I449	I377-V445 HydrophobicContact CG2-CG2 4.38Å; V381-V445 HydrophobicContact CG2-CG2 3.39Å; M402-V445 HydrophobicContact SD-CG2 4.44Å; M406-V445 HydrophobicContact CG-CG2 4.29Å; M406-V445 HydrophobicContact SD-CG1 4.27Å; M406-V445 HydrophobicContact SD-CG2 4.21Å; I422-V445 HydrophobicContact CD1-CG1 3.8Å; I422-V445 HydrophobicContact CG1-CG1 3.95Å; A442-V445 WeakPolarHBondContact O-CB 3.3Å; A442-V445 PolarHBondContact O-N 3.42Å; W443-V445 VanDerWaalsContact C-N 3.33Å; W443-V445 PolarHBondContact O-N 2.87Å; V445-G447 VanDerWaalsContact C-N 3.33Å; V445-G447 PolarHBondContact O-N 2.82Å; V445-L448 WeakPolarHBondContact O-CB 2.94Å; V445-L448 PolarHBondContact O-N 2.9Å; V445-I449 HydrophobicContact CG1-CD1 3.76Å; V445-I449 HydrophobicContact CG1-CG1 4.47Å; V445-I449 VanDerWaalsContact O-CG1 3.3Å; V445-I449 WeakPolarHBondContact O-CG1 3.43Å; V445-I449 PolarHBondContact O-N 2.97Å
446	Q	98.7	Very high	98.1	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-42.2	175.8	-68.2	177.6	19.9	0	0	112.1	W423 S426 K427 E430 A442 W443 I449 R450	W423-Q446 HydrophobicContact CE3-CB 4.32Å; W423-Q446 HydrophobicContact CE3-CG 4.21Å; W423-Q446 HydrophobicContact CH2-CB 4.41Å; W423-Q446 HydrophobicContact CZ3-CB 3.79Å; W423-Q446 HydrophobicContact CZ3-CG 4.04Å; S426-Q446 WeakPolarHBondContact OG-CG 3.39Å; S426-Q446 PolarHBondContact OG-NE2 3.49Å; S426-Q446 VanDerWaalsContact OG-NE2 3.09Å; K427-Q446 VanDerWaalsContact NZ-CD 3.32Å; E430-Q446 PolarHBondContact OE2-NE2 2.96Å; E430-Q446 PolarHBondContact OE2-OE1 2.8Å; A442-Q446 WeakPolarHBondContact O-CG 3.37Å; A442-Q446 PolarHBondContact O-N 3Å; W443-Q446 PolarHBondContact O-N 2.72Å; Q446-I449 PolarHBondContact O-N 2.83Å; Q446-R450 VanDerWaalsContact O-CB 3.28Å; Q446-R450 WeakPolarHBondContact O-CB 3.5Å; Q446-R450 PolarHBondContact O-N 3.18Å
447	G	98.5	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-43.8	175	0	0	0	0	0	112.6	W443 P444 V445 R450 H451	W443-G447 PolarHBondContact O-N 3.2Å; P444-G447 PolarHBondContact O-N 3.45Å; V445-G447 VanDerWaalsContact C-N 3.33Å; V445-G447 PolarHBondContact O-N 2.82Å; G447-R450 PolarHBondContact O-N 2.61Å; G447-H451 PolarHBondContact O-CD2 3.31Å; G447-H451 VanDerWaalsContact O-CD2 3.27Å; G447-H451 PolarHBondContact O-N 3.48Å; G447-H451 VanDerWaalsContact O-N 3.12Å
448	L	98.7	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-51.4	175.2	-179.9	71.6	0	0	0	111.2	V373 I374 I377 M406 P444 V445 R450 H451 F452 M456	V373-L448 HydrophobicContact CB-CD1 4.48Å; V373-L448 HydrophobicContact CG1-CD1 3.98Å; V373-L448 HydrophobicContact CG2-CD1 3.96Å; I374-L448 HydrophobicContact CG1-CD1 4.42Å; I374-L448 HydrophobicContact CG2-CD2 4.47Å; I377-L448 HydrophobicContact CB-CD2 4.1Å; I377-L448 HydrophobicContact CG1-CB 4.19Å; I377-L448 HydrophobicContact CG1-CD1 4.09Å; I377-L448 HydrophobicContact CG1-CD2 4.41Å; I377-L448 HydrophobicContact CG1-CG 4.46Å; I377-L448 HydrophobicContact CG2-CB 4.23Å; I377-L448 HydrophobicContact CG2-CD2 4.13Å; M406-L448 HydrophobicContact CE-CD2 3.52Å; M406-L448 HydrophobicContact SD-CD2 4.4Å; P444-L448 WeakPolarHBondContact O-CB 3.22Å; P444-L448 PolarHBondContact O-N 3.32Å; V445-L448 WeakPolarHBondContact O-CB 2.94Å; V445-L448 PolarHBondContact O-N 2.9Å; L448-R450 VanDerWaalsContact C-N 3.35Å; L448-R450 PolarHBondContact O-N 2.96Å; L448-H451 PolarHBondContact O-N 3.14Å; L448-F452 HydrophobicContact CD1-CB 3.89Å; L448-F452 HydrophobicContact CD1-CD2 4.32Å; L448-F452 HydrophobicContact CD1-CG 4.36Å; L448-F452 CarbonylContact O-C 3.47Å; L448-F452 VanDerWaalsContact O-CA 3.3Å; L448-F452 WeakPolarHBondContact O-CA 3.44Å; L448-F452 WeakPolarHBondContact O-CB 3.48Å; L448-F452 PolarHBondContact O-N 2.95Å; L448-M456 HydrophobicContact CD2-SD 4.02Å; L448-M456 HydrophobicContact CG-SD 4.11Å
449	I	98.6	Very high	98.3	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-46.1	-178.5	-65.7	162.6	0	0	0	110	I419 I422 W423 V445 Q446 H451 R453 M456	I419-I449 HydrophobicContact CG2-CG1 4.26Å; I419-I449 HydrophobicContact CG2-CG2 3.86Å; I422-I449 HydrophobicContact CG2-CD1 3.69Å; W423-I449 HydrophobicContact CB-CD1 4.08Å; W423-I449 HydrophobicContact CE3-CB 4.13Å; W423-I449 HydrophobicContact CE3-CD1 4.16Å; W423-I449 HydrophobicContact CE3-CG2 3.97Å; V445-I449 HydrophobicContact CG1-CD1 3.76Å; V445-I449 HydrophobicContact CG1-CG1 4.47Å; V445-I449 VanDerWaalsContact O-CG1 3.3Å; V445-I449 WeakPolarHBondContact O-CG1 3.43Å; V445-I449 PolarHBondContact O-N 2.97Å; Q446-I449 PolarHBondContact O-N 2.83Å; I449-H451 VanDerWaalsContact C-N 3.31Å; I449-H451 PolarHBondContact O-N 2.76Å; I449-R453 VanDerWaalsContact O-CB 3.27Å; I449-R453 WeakPolarHBondContact O-CB 3.27Å; I449-R453 PolarHBondContact O-N 3.02Å; I449-M456 HydrophobicContact CG1-SD 4.1Å
450	R	98.3	Very high	98.3	Very high	75 Å²	75	32.2 Å²	32.2	28%	0.283	15%	0.15	S	C	.	.	H	α-helix	trans	-62.6	-36.3	-176.8	-176.8	172.8	59.1	-123.4	3.6	113.4	Q356 Q446 G447 L448	Q356-R450 PolarHBondContact O-NH2 3.01Å; Q446-R450 VanDerWaalsContact O-CB 3.28Å; Q446-R450 WeakPolarHBondContact O-CB 3.5Å; Q446-R450 PolarHBondContact O-N 3.18Å; G447-R450 PolarHBondContact O-N 2.61Å; L448-R450 VanDerWaalsContact C-N 3.35Å; L448-R450 PolarHBondContact O-N 2.96Å
451	H	98.3	Very high	98.3	Very high	52 Å²	52	34 Å²	34	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-108.1	-21.6	-171.5	-62.2	-58.9	0	0	0	114.5	I336 P338 G447 L448 I449	I336-H451 PolarHBondContact O-CD2 3.23Å; P338-H451 HydrophobicContact CG-CB 4.31Å; G447-H451 PolarHBondContact O-CD2 3.31Å; G447-H451 VanDerWaalsContact O-CD2 3.27Å; G447-H451 PolarHBondContact O-N 3.48Å; G447-H451 VanDerWaalsContact O-N 3.12Å; L448-H451 PolarHBondContact O-N 3.14Å; I449-H451 VanDerWaalsContact C-N 3.31Å; I449-H451 PolarHBondContact O-N 2.76Å
452	F	98.2	Very high	98.3	Very high	10 Å²	10	39 Å²	39	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-132.2	25.6	-172.6	-58.3	-85.8	0	0	0	112.3	L325 I336 P338 V373 L448 T454 D455 M456	L325-F452 HydrophobicContact CD1-CE1 3.74Å; L325-F452 HydrophobicContact CG-CE1 3.92Å; L325-F452 HydrophobicContact CG-CZ 4.28Å; I336-F452 HydrophobicContact CD1-CD2 4.48Å; I336-F452 HydrophobicContact CD1-CE2 3.63Å; I336-F452 HydrophobicContact CD1-CZ 4.03Å; I336-F452 HydrophobicContact CG1-CE2 4.15Å; I336-F452 HydrophobicContact CG2-CD2 4.24Å; I336-F452 HydrophobicContact CG2-CE2 3.95Å; P338-F452 HydrophobicContact CB-CZ 4.4Å; V373-F452 HydrophobicContact CG1-CB 4.34Å; V373-F452 HydrophobicContact CG1-CD1 4.06Å; V373-F452 HydrophobicContact CG1-CG 4.12Å; V373-F452 HydrophobicContact CG2-CD2 4.45Å; L448-F452 HydrophobicContact CD1-CB 3.89Å; L448-F452 HydrophobicContact CD1-CD2 4.32Å; L448-F452 HydrophobicContact CD1-CG 4.36Å; L448-F452 CarbonylContact O-C 3.47Å; L448-F452 VanDerWaalsContact O-CA 3.3Å; L448-F452 WeakPolarHBondContact O-CA 3.44Å; L448-F452 WeakPolarHBondContact O-CB 3.48Å; L448-F452 PolarHBondContact O-N 2.95Å; F452-T454 PolarHBondContact O-N 3.31Å; F452-D455 HydrophobicContact CB-CB 4.3Å; F452-D455 WeakPolarHBondContact O-CB 3.42Å; F452-D455 PolarHBondContact O-N 3.31Å; F452-D455 VanDerWaalsContact O-N 3.13Å; F452-M456 PolarHBondContact O-N 2.89Å
453	R	98.4	Very high	98.2	Very high	76 Å²	76	41.1 Å²	41.1	29%	0.287	20%	0.198	S	C	.	.	H	α-helix	trans	-51.9	-44.9	172.5	-173.6	170.2	-174.7	129.1	1.6	111.7	I419 D420 I449 D455 M456 E457	I419-R453 HydrophobicContact CD1-CG 4.47Å; I419-R453 HydrophobicContact CG2-CG 4.32Å; D420-R453 VanDerWaalsContact CG-NH2 3.31Å; D420-R453 IonicContact OD1-CZ 3.94Å; D420-R453 VanDerWaalsContact OD1-CZ 3.32Å; D420-R453 IonicContact OD1-NH1 2.77Å; D420-R453 PolarHBondContact OD1-NH1 3.49Å; D420-R453 IonicContact OD1-NH2 3.79Å; D420-R453 PolarHBondContact OD1-NH2 2.81Å; D420-R453 IonicContact OD2-CZ 2.8Å; D420-R453 IonicContact OD2-NH2 2.61Å; D420-R453 PolarHBondContact OD2-NH2 3.06Å; I449-R453 VanDerWaalsContact O-CB 3.27Å; I449-R453 WeakPolarHBondContact O-CB 3.27Å; I449-R453 PolarHBondContact O-N 3.02Å; R453-D455 VanDerWaalsContact C-N 3.28Å; R453-D455 PolarHBondContact O-N 3.21Å; R453-M456 WeakPolarHBondContact O-CA 3.31Å; R453-M456 WeakPolarHBondContact O-CB 3.21Å; R453-M456 PolarHBondContact O-N 2.85Å; R453-E457 HydrophobicContact CG-CG 4.26Å; R453-E457 WeakPolarHBondContact CG-OE1 3.36Å; R453-E457 IonicContact CZ-OE1 3.96Å; R453-E457 IonicContact NE-OE1 2.97Å; R453-E457 PolarHBondContact NE-OE1 2.75Å; R453-E457 WeakPolarHBondContact O-CG 3.11Å; R453-E457 PolarHBondContact O-N 3.2Å
454	T	98	Very high	97.9	Very high	88 Å²	88	42.9 Å²	42.9	54%	0.54	21%	0.208	S	C	.	.	H	α-helix	trans	-58.8	-40.3	-179.9	-50.6	0	0	0	0	111.7	F452 M456 E457 N458	F452-T454 PolarHBondContact O-N 3.31Å; T454-M456 VanDerWaalsContact C-N 3.34Å; T454-M456 PolarHBondContact O-N 3.06Å; T454-E457 PolarHBondContact O-N 2.93Å; T454-N458 VanDerWaalsContact O-CB 3.26Å; T454-N458 WeakPolarHBondContact O-CB 3.42Å; T454-N458 PolarHBondContact O-N 3.18Å; T454-N458 PolarHBondContact O-ND2 3.24Å; T454-N458 VanDerWaalsContact O-ND2 3.15Å
455	D	98	Very high	97.7	Very high	72 Å²	72	53 Å²	53	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-39.7	175.2	-61.3	-96.5	0	0	0	111.9	F452 R453 R459	F452-D455 HydrophobicContact CB-CB 4.3Å; F452-D455 WeakPolarHBondContact O-CB 3.42Å; F452-D455 PolarHBondContact O-N 3.31Å; F452-D455 VanDerWaalsContact O-N 3.13Å; R453-D455 VanDerWaalsContact C-N 3.28Å; R453-D455 PolarHBondContact O-N 3.21Å; D455-R459 WeakPolarHBondContact O-CB 3.39Å; D455-R459 PolarHBondContact O-N 3.44Å
456	M	98.5	Very high	97.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-47.4	175.7	-61.2	178.4	72.3	0	0	111.8	I374 F409 I419 L448 I449 F452 R453 T454 N458 R459 I460	I374-M456 HydrophobicContact CD1-CB 4.33Å; I374-M456 HydrophobicContact CD1-CG 3.85Å; I374-M456 HydrophobicContact CG1-CG 4.09Å; F409-M456 HydrophobicContact CB-CE 4.13Å; F409-M456 HydrophobicContact CD1-CE 3.75Å; F409-M456 HydrophobicContact CD2-CE 3.71Å; F409-M456 HydrophobicContact CE1-CE 4.04Å; F409-M456 HydrophobicContact CE2-CE 4.01Å; F409-M456 HydrophobicContact CG-CE 3.58Å; F409-M456 HydrophobicContact CZ-CE 4.17Å; I419-M456 HydrophobicContact CD1-CB 3.93Å; I419-M456 HydrophobicContact CG1-CE 4.19Å; L448-M456 HydrophobicContact CD2-SD 4.02Å; L448-M456 HydrophobicContact CG-SD 4.11Å; I449-M456 HydrophobicContact CG1-SD 4.1Å; F452-M456 PolarHBondContact O-N 2.89Å; R453-M456 WeakPolarHBondContact O-CA 3.31Å; R453-M456 WeakPolarHBondContact O-CB 3.21Å; R453-M456 PolarHBondContact O-N 2.85Å; T454-M456 VanDerWaalsContact C-N 3.34Å; T454-M456 PolarHBondContact O-N 3.06Å; M456-N458 VanDerWaalsContact C-N 3.33Å; M456-N458 PolarHBondContact O-N 3.49Å; M456-R459 WeakPolarHBondContact O-CB 3.34Å; M456-R459 PolarHBondContact O-N 3.07Å; M456-I460 WeakPolarHBondContact O-CG1 3.22Å; M456-I460 PolarHBondContact O-N 3.43Å
457	E	98.5	Very high	97.1	Very high	65 Å²	65	65.2 Å²	65.2	30%	0.304	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-42.7	177.5	-70.8	175.2	176.2	0	0	111.4	V416 I419 R453 T454 I460 A461	V416-E457 HydrophobicContact CG1-CG 4.22Å; I419-E457 HydrophobicContact CD1-CG 3.7Å; R453-E457 HydrophobicContact CG-CG 4.26Å; R453-E457 WeakPolarHBondContact CG-OE1 3.36Å; R453-E457 IonicContact CZ-OE1 3.96Å; R453-E457 IonicContact NE-OE1 2.97Å; R453-E457 PolarHBondContact NE-OE1 2.75Å; R453-E457 WeakPolarHBondContact O-CG 3.11Å; R453-E457 PolarHBondContact O-N 3.2Å; T454-E457 PolarHBondContact O-N 2.93Å; E457-I460 PolarHBondContact O-N 2.9Å; E457-A461 WeakPolarHBondContact O-CB 3.39Å; E457-A461 PolarHBondContact O-N 3.47Å
458	N	98.3	Very high	96.3	Very high	83 Å²	83	69.7 Å²	69.7	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-43.3	175.4	-76.3	-27.9	0	0	0	112	T454 M456 I460 A461 Q462	T454-N458 VanDerWaalsContact O-CB 3.26Å; T454-N458 WeakPolarHBondContact O-CB 3.42Å; T454-N458 PolarHBondContact O-N 3.18Å; T454-N458 PolarHBondContact O-ND2 3.24Å; T454-N458 VanDerWaalsContact O-ND2 3.15Å; M456-N458 VanDerWaalsContact C-N 3.33Å; M456-N458 PolarHBondContact O-N 3.49Å; N458-I460 VanDerWaalsContact C-N 3.34Å; N458-I460 PolarHBondContact O-N 3.02Å; N458-A461 PolarHBondContact O-N 2.81Å; N458-Q462 WeakPolarHBondContact O-CB 3.41Å; N458-Q462 VanDerWaalsContact O-CG 3.22Å; N458-Q462 WeakPolarHBondContact O-CG 3.26Å; N458-Q462 PolarHBondContact O-N 3.34Å
459	R	98.2	Very high	95.1	Very high	61 Å²	61	75.4 Å²	75.4	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-45	176.2	-177.7	66.7	61.5	88.9	9.5	111.3	D372 I374 F409 V410 D455 M456 H463	D372-R459 IonicContact OD1-CZ 2.71Å; D372-R459 IonicContact OD1-NH1 2.84Å; D372-R459 IonicContact OD1-NH2 3.9Å; D372-R459 PolarHBondContact OD1-NH2 3.14Å; D372-R459 IonicContact OD2-CZ 2.93Å; D372-R459 IonicContact OD2-NH1 3.76Å; D372-R459 PolarHBondContact OD2-NH1 2.8Å; D372-R459 IonicContact OD2-NH2 2.73Å; D372-R459 PolarHBondContact OD2-NH2 3.41Å; D372-R459 VanDerWaalsContact OD2-NH2 3.1Å; I374-R459 HydrophobicContact CD1-CB 4.16Å; I374-R459 HydrophobicContact CD1-CG 4.46Å; F409-R459 WeakPolarHBondContact O-CG 3.31Å; V410-R459 PolarHBondContact O-NH1 3.08Å; D455-R459 WeakPolarHBondContact O-CB 3.39Å; D455-R459 PolarHBondContact O-N 3.44Å; M456-R459 WeakPolarHBondContact O-CB 3.34Å; M456-R459 PolarHBondContact O-N 3.07Å; R459-H463 PolarHBondContact O-N 2.8Å
460	I	98.2	Very high	93.7	Very high	2 Å²	2	86.4 Å²	86.4	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-63.3	-47.8	176.8	-68.6	165.4	0	0	0	110.9	F409 A414 V416 I419 M456 E457 N458 Q462 H463 K464	F409-I460 HydrophobicContact CD1-CD1 4.06Å; F409-I460 HydrophobicContact CE1-CD1 4.01Å; A414-I460 HydrophobicContact CB-CD1 4.28Å; A414-I460 HydrophobicContact CB-CG1 4.36Å; A414-I460 WeakPolarHBondContact O-CG2 3.44Å; V416-I460 HydrophobicContact CG2-CD1 4.49Å; V416-I460 HydrophobicContact CG2-CG2 4.14Å; I419-I460 HydrophobicContact CD1-CD1 4.16Å; I419-I460 HydrophobicContact CG1-CD1 4.4Å; M456-I460 WeakPolarHBondContact O-CG1 3.22Å; M456-I460 PolarHBondContact O-N 3.43Å; E457-I460 PolarHBondContact O-N 2.9Å; N458-I460 VanDerWaalsContact C-N 3.34Å; N458-I460 PolarHBondContact O-N 3.02Å; I460-Q462 VanDerWaalsContact C-N 3.34Å; I460-Q462 PolarHBondContact O-N 3.3Å; I460-H463 PolarHBondContact O-N 2.9Å; I460-K464 HydrophobicContact CG2-CD 4.25Å; I460-K464 WeakPolarHBondContact O-CG 3.42Å; I460-K464 PolarHBondContact O-N 3.36Å
461	A	97.3	Very high	92	Very high	40 Å²	40	92.2 Å²	92.2	33%	0.331	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-42.2	179.9	0	0	0	0	0	112	E457 N458 K464 R465	E457-A461 WeakPolarHBondContact O-CB 3.39Å; E457-A461 PolarHBondContact O-N 3.47Å; N458-A461 PolarHBondContact O-N 2.81Å; A461-K464 PolarHBondContact O-N 3.1Å; A461-R465 WeakPolarHBondContact O-CG 3.46Å; A461-R465 PolarHBondContact O-N 3.08Å; A461-R465 VanDerWaalsContact O-N 3.07Å
462	Q	96.8	Very high	90	Very high	107 Å²	107	98.1 Å²	98.1	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-41.1	175.4	-73.3	174.3	12.8	0	0	112.1	N458 I460 R465 K466	N458-Q462 WeakPolarHBondContact O-CB 3.41Å; N458-Q462 VanDerWaalsContact O-CG 3.22Å; N458-Q462 WeakPolarHBondContact O-CG 3.26Å; N458-Q462 PolarHBondContact O-N 3.34Å; I460-Q462 VanDerWaalsContact C-N 3.34Å; I460-Q462 PolarHBondContact O-N 3.3Å; Q462-R465 PolarHBondContact O-N 3.17Å; Q462-K466 PolarHBondContact O-N 3.19Å
463	H	96.2	Very high	87.7	Confident	44 Å²	44	106.1 Å²	106.1	20%	0.204	50%	0.502	C	S	.	.	H	α-helix	trans	-62.5	-48.5	176.3	-174.2	98.3	0	0	0	111.6	R411 G412 R459 I460 R465 K466 N467	R411-H463 PolarHBondContact O-ND1 3Å; G412-H463 VanDerWaalsContact O-CB 3.27Å; G412-H463 WeakPolarHBondContact O-CB 3.15Å; R459-H463 PolarHBondContact O-N 2.8Å; I460-H463 PolarHBondContact O-N 2.9Å; H463-R465 VanDerWaalsContact C-N 3.29Å; H463-R465 PolarHBondContact O-N 3.15Å; H463-K466 PolarHBondContact O-N 3.34Å; H463-N467 PolarHBondContact CE1-ND2 3.13Å; H463-N467 PolarHBondContact NE2-ND2 3.33Å; H463-N467 PolarHBondContact O-N 3.46Å
464	K	94	Very high	85.7	Confident	110 Å²	110	108.9 Å²	108.9	48%	0.478	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-34.8	178.4	-72.1	-178	177.2	-175.1	0	113.3	I460 A461 K466 N467	I460-K464 HydrophobicContact CG2-CD 4.25Å; I460-K464 WeakPolarHBondContact O-CG 3.42Å; I460-K464 PolarHBondContact O-N 3.36Å; A461-K464 PolarHBondContact O-N 3.1Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K464-N467 CarbonylContact O-C 3.27Å; K464-N467 VanDerWaalsContact O-C 3.27Å
465	R	93.8	Very high	83.6	Confident	213 Å²	213	112.3 Å²	112.3	80%	0.804	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-35.9	174.5	-73.5	175	-175.9	-178.4	2.6	112.5	A461 Q462 H463	A461-R465 WeakPolarHBondContact O-CG 3.46Å; A461-R465 PolarHBondContact O-N 3.08Å; A461-R465 VanDerWaalsContact O-N 3.07Å; Q462-R465 PolarHBondContact O-N 3.17Å; H463-R465 VanDerWaalsContact C-N 3.29Å; H463-R465 PolarHBondContact O-N 3.15Å
466	K	93.6	Very high	81.3	Confident	170 Å²	170	117.1 Å²	117.1	74%	0.739	55%	0.554	S	S	*	*	H	α-helix	trans	-79.5	-31.7	178	-69.8	179.5	178.4	-179.1	0	112.7	Q462 H463 K464 P468	Q462-K466 PolarHBondContact O-N 3.19Å; H463-K466 PolarHBondContact O-N 3.34Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K466-P468 WeakPolarHBondContact O-CD 3.37Å
467	N	91.2	Very high	79.2	Confident	93 Å²	93	127.5 Å²	127.5	50%	0.497	61%	0.607	S	S	.	*	S	Bend	trans	-122.7	72.7	-178.6	-60.3	-48.8	0	0	0	110	H463 K464	H463-N467 PolarHBondContact CE1-ND2 3.13Å; H463-N467 PolarHBondContact NE2-ND2 3.33Å; H463-N467 PolarHBondContact O-N 3.46Å; K464-N467 CarbonylContact O-C 3.27Å; K464-N467 VanDerWaalsContact O-C 3.27Å
468	P	80.7	Confident	78.2	Confident	94 Å²	94	130.7 Å²	130.7	61%	0.61	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.8	176.8	26.1	-33.1	0	0	0	109.4	K466 R470	K466-P468 WeakPolarHBondContact O-CD 3.37Å; P468-R470 PolarHBondContact O-N 3.31Å
469	P	74.6	Confident	77.2	Confident	119 Å²	119	133.2 Å²	133.2	77%	0.773	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.8	134.9	174.9	22.6	-30.9	0	0	0	109	K471	P469-K471 PolarHBondContact O-N 2.97Å; P469-K471 VanDerWaalsContact O-N 3.16Å
470	R	68.9	Low	76	Confident	240 Å²	240	137.2 Å²	137.2	91%	0.906	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.5	126.1	172.4	-74.7	-175.5	-177.8	-177.7	0.4	107.2	P468 Q472	P468-R470 PolarHBondContact O-N 3.31Å; R470-Q472 PolarHBondContact O-N 3.34Å
471	K	62.3	Low	74.7	Confident	197 Å²	197	145.1 Å²	145.1	86%	0.857	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-52.5	119.7	168.4	-81.9	-177.7	174.9	-178.7	0	106.2	P469 E473	P469-K471 PolarHBondContact O-N 2.97Å; P469-K471 VanDerWaalsContact O-N 3.16Å; K471-E473 VanDerWaalsContact C-N 3.3Å; K471-E473 PolarHBondContact O-N 3.04Å
472	Q	55.7	Low	73.3	Confident	175 Å²	175	151.7 Å²	151.7	82%	0.818	72%	0.715	S	S	*	*			trans	-61.9	104.8	160.9	-79.8	175.2	-24.5	0	0	104.9	R470 I474	R470-Q472 PolarHBondContact O-N 3.34Å; Q472-I474 HydrophobicContact CB-CG1 4.48Å; Q472-I474 PolarHBondContact O-N 2.84Å
473	E	50.8	Low	71.7	Confident	178 Å²	178	154.7 Å²	154.7	83%	0.832	73%	0.729	S	S	*	*			trans	-62.8	95.1	157.8	-77.4	177.9	169.2	0	0	105	K471 E475	K471-E473 VanDerWaalsContact C-N 3.3Å; K471-E473 PolarHBondContact O-N 3.04Å; E473-E475 PolarHBondContact O-N 3.35Å
474	I	57.2	Low	69.9	Low	134 Å²	134	162.6 Å²	162.6	69%	0.687	77%	0.766	S	S	*	*			trans	-69	89.1	162.9	-58	173.5	0	0	0	103.7	Q472 M476	Q472-I474 HydrophobicContact CB-CG1 4.48Å; Q472-I474 PolarHBondContact O-N 2.84Å; I474-M476 HydrophobicContact CG2-CG 4.07Å; I474-M476 PolarHBondContact O-N 2.76Å
475	E	52.3	Low	68.1	Low	160 Å²	160	166.6 Å²	166.6	75%	0.748	79%	0.788	S	S	*	*			trans	-61.3	98.6	157.9	-83.9	-173.4	152.8	0	0	106	E473 I477	E473-E475 PolarHBondContact O-N 3.35Å; E475-I477 PolarHBondContact O-N 3.44Å; E475-I477 VanDerWaalsContact O-N 3.09Å
476	M	51.2	Low	66	Low	174 Å²	174	162.8 Å²	162.8	86%	0.857	79%	0.787	S	S	*	*			trans	-68.4	100.1	163.3	-64.3	-165.6	-48.6	0	0	106.5	I474	I474-M476 HydrophobicContact CG2-CG 4.07Å; I474-M476 PolarHBondContact O-N 2.76Å
477	I	53.1	Low	63.5	Low	219 Å²	219	162.1 Å²	162.1	100%	1.123	79%	0.792	S	S	*	*			trans	-87.5	0	163.5	-59.1	179.5	0	0	0	108.3	E475	E475-I477 PolarHBondContact O-N 3.44Å; E475-I477 VanDerWaalsContact O-N 3.09Å

Retrieved 477 of 477 residues in 935.1 ms (Link to these results)

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