A0A096MWD1_PAPAN Loading...

Aspartate--tRNA ligase, cytoplasmic

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.

AlphaFold DB , UniProt , Accession A0A096MWD1, Species PAPAN (Papio anubis, Olive baboon), Gene DARS1, Length 501 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	45.7	Very low	40.2	Very low	237 Å²	237	151.5 Å²	151.5	100%	1.167	87%	0.87	S	S	*	*				0	148.9	0	-58	-157.1	-143.7	0	0	108.3
2	P	48.2	Very low	40.5	Very low	130 Å²	130	154.8 Å²	154.8	84%	0.844	87%	0.871	S	S	*	*			cis	-70.7	-148.1	-12	36.1	-38.1	0	0	0	109.5
3	S	31.5	Very low	41	Very low	117 Å²	117	156.6 Å²	156.6	82%	0.818	86%	0.864	S	S	*	*			cis	-148.8	-168.1	-0.7	60.2	0	0	0	0	110.3
4	A	42.1	Very low	41.1	Very low	97 Å²	97	151.2 Å²	151.2	80%	0.802	84%	0.84	S	S	*	*			trans	-142.5	147.7	178.7	0	0	0	0	0	113.5
5	S	34.1	Very low	41.4	Very low	115 Å²	115	156.3 Å²	156.3	80%	0.804	84%	0.841	S	S	*	*			trans	-172.3	106.7	144.3	38.9	0	0	0	0	108.1
6	A	36.4	Very low	41.6	Very low	100 Å²	100	157.3 Å²	157.3	83%	0.826	84%	0.839	S	S	*	*				69.4	108	72.4	0	0	0	0	0	112.7
7	S	42.4	Very low	41.7	Very low	115 Å²	115	155.5 Å²	155.5	80%	0.804	83%	0.828	S	S	*	*			trans	-65	136.2	-174.7	52.8	0	0	0	0	114.5
8	R	34.6	Very low	41.7	Very low	255 Å²	255	154.3 Å²	154.3	96%	0.962	82%	0.819	S	S	*	*			trans	-117.9	80.6	155.6	-80.2	-175.1	172.3	174.3	-1.9	110.8
9	K	41.4	Very low	42	Very low	202 Å²	202	151.8 Å²	151.8	88%	0.878	81%	0.805	S	S	*	*			trans	-103.4	97.2	159.2	-94.2	-171.7	174.6	-179.5	0	108.4
10	S	44.1	Very low	42.4	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	80%	0.799	S	S	*	*			trans	169.9	148.7	153	42.1	0	0	0	0	111.1
11	Q	42	Very low	42.8	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	80%	0.796	S	S	*	*			trans	108.7	55.7	170.7	-60.7	-176.1	-3.2	0	0	117.4
12	E	43.2	Very low	43.9	Very low	190 Å²	190	139.7 Å²	139.7	89%	0.888	77%	0.766	S	S	*	*	S	Bend	trans	-139.9	20.2	160.1	-135.6	169.9	-151.8	0	0	113.9
13	K	47.6	Very low	45.9	Very low	179 Å²	179	134.9 Å²	134.9	78%	0.778	73%	0.733	S	S	*	*			trans	-134.7	67.1	175.4	-71.3	-168.1	171.6	-171.1	0	114.4
14	P	42.7	Very low	48.9	Very low	81 Å²	81	135.5 Å²	135.5	53%	0.526	72%	0.719	S	S	.	*	S	Bend	trans	-123.9	-21.5	150.7	2.2	19.8	0	0	0	115.3	M18	P14-M18 WeakPolarHBondContact O-CG 3.3Å; P14-M18 PolarHBondContact O-N 3.15Å
15	R	45.5	Very low	51.4	Low	228 Å²	228	130.9 Å²	130.9	86%	0.86	68%	0.681	S	S	*	*	H	α-helix	trans	-71.7	-47.3	-170.7	-93.2	-176.9	171.4	170.7	-2.1	114.5	I17 M18 D19	R15-I17 VanDerWaalsContact C-N 3.26Å; R15-I17 PolarHBondContact O-N 3.27Å; R15-M18 PolarHBondContact O-N 3.13Å; R15-D19 PolarHBondContact O-N 2.75Å
16	E	43.5	Very low	54.4	Low	172 Å²	172	132 Å²	132	80%	0.804	67%	0.671	S	S	*	*	H	α-helix	trans	-68.1	-24.8	-177.8	-65.2	-175.2	138.6	0	0	113.6
17	I	43.7	Very low	57.2	Low	126 Å²	126	134.7 Å²	134.7	65%	0.646	67%	0.666	S	S	*	*	H	α-helix	trans	-82.5	-27.8	-178.1	-60	175.5	0	0	0	111.2	R15	R15-I17 VanDerWaalsContact C-N 3.26Å; R15-I17 PolarHBondContact O-N 3.27Å
18	M	41.3	Very low	59.9	Low	135 Å²	135	133.1 Å²	133.1	67%	0.665	64%	0.643	S	S	*	*	H	α-helix	trans	-75.2	-40	176.2	-71.8	177.3	64.5	0	0	112.8	P14 R15 A20 A21	P14-M18 WeakPolarHBondContact O-CG 3.3Å; P14-M18 PolarHBondContact O-N 3.15Å; R15-M18 PolarHBondContact O-N 3.13Å; M18-A20 PolarHBondContact O-N 3.25Å; M18-A21 PolarHBondContact O-N 3.48Å; M18-A21 VanDerWaalsContact O-N 3.15Å
19	D	48.9	Very low	62.9	Low	106 Å²	106	123 Å²	123	57%	0.567	61%	0.605	S	S	*	*	H	α-helix	trans	-65.9	-21.4	-177.3	-112.3	8.4	0	0	0	113.6	R15 Q100	R15-D19 PolarHBondContact O-N 2.75Å; D19-Q100 PolarHBondContact O-NE2 2.9Å
20	A	48.8	Very low	65.7	Low	82 Å²	82	114.1 Å²	114.1	68%	0.678	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-14.9	177.7	0	0	0	0	0	113.9	M18	M18-A20 PolarHBondContact O-N 3.25Å
21	A	51.5	Low	68.2	Low	89 Å²	89	113.8 Å²	113.8	74%	0.736	56%	0.559	S	S	*	*	S	Bend	trans	-90.2	-10.2	-178.4	0	0	0	0	0	114	M18	M18-A21 PolarHBondContact O-N 3.48Å; M18-A21 VanDerWaalsContact O-N 3.15Å
22	E	68.8	Low	70.9	Confident	115 Å²	115	107 Å²	107	54%	0.537	53%	0.532	S	S	.	.			trans	-103	-4	-175.6	-71.6	-164.2	165	0	0	115.3	Y24 K99	E22-Y24 WeakPolarHBondContact O-CD1 3.47Å; E22-Y24 PolarHBondContact O-N 3.38Å; E22-K99 IonicContact OE2-NZ 3.48Å; E22-K99 PolarHBondContact OE2-NZ 2.86Å
23	D	90.1	Very high	73.5	Confident	29 Å²	29	102.8 Å²	102.8	16%	0.155	52%	0.524	C	S	.	.			trans	-82.5	75.6	-174.9	-174	28.1	0	0	0	113.9	A25 K26 Y29 S98 Q100	D23-A25 PolarHBondContact O-N 2.91Å; D23-A25 VanDerWaalsContact O-N 3.17Å; D23-A25 PolarHBondContact OD1-N 3.49Å; D23-K26 PolarHBondContact O-N 3.2Å; D23-K26 WeakPolarHBondContact OD2-CA 3.33Å; D23-K26 WeakPolarHBondContact OD2-CB 3.35Å; D23-Y29 PolarHBondContact OD2-OH 3.26Å; D23-S98 WeakPolarHBondContact OD1-CB 3.38Å; D23-S98 PolarHBondContact OD1-OG 3.12Å; D23-Q100 HydrophobicContact CB-CB 4.34Å; D23-Q100 HydrophobicContact CB-CG 4.09Å
24	Y	93.7	Very high	75.9	Confident	131 Å²	131	100.6 Å²	100.6	51%	0.514	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.4	174.9	62.4	-93.2	0	0	0	114.6	E22 G94 A97	E22-Y24 WeakPolarHBondContact O-CD1 3.47Å; E22-Y24 PolarHBondContact O-N 3.38Å; Y24-G94 PolarHBondContact OH-O 2.87Å; Y24-A97 PolarHBondContact OH-O 3.13Å
25	A	95.9	Very high	78.5	Confident	0 Å²	0	101 Å²	101	0%	0	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.6	-178.9	0	0	0	0	0	113.2	D23 E27 R28 Y29 M101	D23-A25 PolarHBondContact O-N 2.91Å; D23-A25 VanDerWaalsContact O-N 3.17Å; D23-A25 PolarHBondContact OD1-N 3.49Å; A25-E27 VanDerWaalsContact C-N 3.29Å; A25-E27 PolarHBondContact O-N 2.59Å; A25-E27 VanDerWaalsContact O-N 3.16Å; A25-R28 WeakPolarHBondContact O-CA 3.08Å; A25-R28 VanDerWaalsContact O-CB 3.29Å; A25-R28 WeakPolarHBondContact O-CB 3.19Å; A25-R28 PolarHBondContact O-N 2.87Å; A25-Y29 VanDerWaalsContact O-CD1 3.31Å; A25-Y29 WeakPolarHBondContact O-CD1 3.37Å; A25-M101 HydrophobicContact CB-CB 4.32Å; A25-M101 HydrophobicContact CB-SD 4.12Å
26	K	95.4	Very high	81.1	Confident	139 Å²	139	96 Å²	96	60%	0.604	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-50.6	-42.1	-174.5	-171.6	173.4	176.7	-179.1	0	114.7	D23 R28 Y29	D23-K26 PolarHBondContact O-N 3.2Å; D23-K26 WeakPolarHBondContact OD2-CA 3.33Å; D23-K26 WeakPolarHBondContact OD2-CB 3.35Å; K26-R28 PolarHBondContact O-N 2.87Å; K26-Y29 VanDerWaalsContact O-O 3.13Å
27	E	96.8	Very high	83.6	Confident	156 Å²	156	93.1 Å²	93.1	73%	0.729	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-74.6	-8.8	179	-58.8	-52.7	132.1	0	0	113.7	A25 Y143	A25-E27 VanDerWaalsContact C-N 3.29Å; A25-E27 PolarHBondContact O-N 2.59Å; A25-E27 VanDerWaalsContact O-N 3.16Å; E27-Y143 PolarHBondContact O-OH 3.02Å
28	R	98.2	Very high	86.2	Confident	81 Å²	81	92.8 Å²	92.8	31%	0.306	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-95.9	-4.5	-176.9	-62.3	-178.5	174.3	155.1	-2.3	113.6	A25 K26 D95 H96 M101 K141 I142	A25-R28 WeakPolarHBondContact O-CA 3.08Å; A25-R28 VanDerWaalsContact O-CB 3.29Å; A25-R28 WeakPolarHBondContact O-CB 3.19Å; A25-R28 PolarHBondContact O-N 2.87Å; K26-R28 PolarHBondContact O-N 2.87Å; R28-D95 PolarHBondContact NH1-O 2.95Å; R28-H96 WeakPolarHBondContact CD-O 3.37Å; R28-H96 VanDerWaalsContact NH1-C 3.34Å; R28-H96 VanDerWaalsContact NH1-CA 3.28Å; R28-H96 PolarHBondContact NH1-O 2.98Å; R28-M101 HydrophobicContact CB-CE 4.4Å; R28-M101 HydrophobicContact CB-SD 4.26Å; R28-K141 HydrophobicContact CB-CB 4.43Å; R28-K141 HydrophobicContact CB-CG 3.96Å; R28-K141 HydrophobicContact CG-CG 4.11Å; R28-K141 CarbonylContact O-C 3.53Å; R28-K141 WeakPolarHBondContact O-CA 3.33Å; R28-K141 WeakPolarHBondContact O-CB 3.49Å; R28-I142 PolarHBondContact O-N 3.03Å
29	Y	98.6	Very high	88.9	Confident	42 Å²	42	92.8 Å²	92.8	17%	0.165	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	162.2	177.2	73.9	-91.5	0	0	0	112.9	D23 A25 K26 Q100 M101 F104 I142	D23-Y29 PolarHBondContact OD2-OH 3.26Å; A25-Y29 VanDerWaalsContact O-CD1 3.31Å; A25-Y29 WeakPolarHBondContact O-CD1 3.37Å; K26-Y29 VanDerWaalsContact O-O 3.13Å; Y29-Q100 VanDerWaalsContact OH-CB 3.26Å; Y29-Q100 WeakPolarHBondContact OH-CB 3.37Å; Y29-M101 HydrophobicContact CD1-CB 3.44Å; Y29-M101 VanDerWaalsContact CD1-CB 3.44Å; Y29-M101 HydrophobicContact CD1-CG 3.49Å; Y29-M101 VanDerWaalsContact CD1-CG 3.49Å; Y29-M101 HydrophobicContact CD1-SD 4.14Å; Y29-M101 HydrophobicContact CE1-CB 3.6Å; Y29-M101 HydrophobicContact CE1-CG 4.2Å; Y29-M101 HydrophobicContact CG-CB 4.18Å; Y29-M101 HydrophobicContact CG-CG 3.89Å; Y29-F104 HydrophobicContact CD2-CB 3.6Å; Y29-F104 AromaticContact CD2-CD1 3.39Å; Y29-F104 HydrophobicContact CD2-CD1 3.39Å; Y29-F104 AromaticContact CD2-CD2 3.87Å; Y29-F104 HydrophobicContact CD2-CD2 3.87Å; Y29-F104 AromaticContact CD2-CE1 3.99Å; Y29-F104 HydrophobicContact CD2-CE1 3.99Å; Y29-F104 HydrophobicContact CD2-CE2 4.41Å; Y29-F104 AromaticContact CD2-CG 3.32Å; Y29-F104 HydrophobicContact CD2-CG 3.32Å; Y29-F104 HydrophobicContact CD2-CZ 4.46Å; Y29-F104 HydrophobicContact CE2-CB 3.57Å; Y29-F104 HydrophobicContact CE2-CD1 4.24Å; Y29-F104 HydrophobicContact CE2-CD2 4.08Å; Y29-F104 AromaticContact CE2-CG 3.7Å; Y29-F104 HydrophobicContact CE2-CG 3.7Å; Y29-F104 HydrophobicContact CG-CB 4.46Å; Y29-F104 AromaticContact CG-CD1 3.97Å; Y29-F104 HydrophobicContact CG-CD1 3.97Å; Y29-F104 HydrophobicContact CG-CG 4.27Å; Y29-I142 WeakPolarHBondContact CA-O 3.5Å; Y29-I142 WeakPolarHBondContact CB-O 3.47Å
30	G	98.4	Very high	91.2	Very high	16 Å²	16	97.3 Å²	97.3	17%	0.165	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-170.5	172.4	0	0	0	0	0	113	F104 I142 Y143 V144	G30-F104 VanDerWaalsContact C-CZ 3.44Å; G30-F104 WeakPolarHBondContact O-CZ 3.48Å; G30-I142 PolarHBondContact N-O 3.42Å; G30-Y143 CarbonylContact O-C 3.58Å; G30-Y143 WeakPolarHBondContact O-CA 3.25Å; G30-V144 PolarHBondContact O-N 3.31Å
31	I	98.5	Very high	93.4	Very high	108 Å²	108	96.3 Å²	96.3	55%	0.554	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	167.2	-57.2	170.3	0	0	0	106	F104 V144 L147	I31-F104 HydrophobicContact CG1-CE2 4.5Å; I31-V144 HydrophobicContact CG1-CB 4.31Å; I31-L147 HydrophobicContact CD1-CD2 4Å
32	S	97.5	Very high	95.6	Very high	41 Å²	41	100.8 Å²	100.8	29%	0.287	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-72.4	156.7	178.1	62.6	0	0	0	0	110.6	V144 I145	S32-V144 PolarHBondContact N-O 3.13Å; S32-V144 PolarHBondContact OG-O 3.12Å; S32-I145 WeakPolarHBondContact OG-CA 3.37Å
33	S	97.9	Very high	96.8	Very high	103 Å²	103	99.4 Å²	99.4	72%	0.72	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-55.8	150	169.7	-54.7	0	0	0	0	111.5	I35	S33-I35 PolarHBondContact O-N 2.99Å
34	M	98.2	Very high	97.2	Very high	132 Å²	132	103.7 Å²	103.7	65%	0.65	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-58.5	123.4	177.5	-179.3	170.5	71.6	0	0	110.5	Q36 Q38	M34-Q36 HydrophobicContact CE-CG 3.85Å; M34-Q36 HydrophobicContact CG-CG 4.22Å; M34-Q36 PolarHBondContact O-N 3.02Å; M34-Q36 VanDerWaalsContact O-N 3.16Å; M34-Q38 PolarHBondContact O-NE2 2.87Å
35	I	98.2	Very high	97.4	Very high	89 Å²	89	100.9 Å²	100.9	46%	0.456	52%	0.517	S	S	.	.			trans	-67.4	111.5	178.6	-58.2	173.8	0	0	0	108.9	S33 I145	S33-I35 PolarHBondContact O-N 2.99Å; I35-I145 HydrophobicContact CD1-CB 4.24Å; I35-I145 HydrophobicContact CD1-CD1 4.33Å
36	Q	98.1	Very high	97.6	Very high	125 Å²	125	102 Å²	102	58%	0.584	52%	0.523	S	S	*	.	S	Bend	trans	-126.6	32	175.3	-54.1	163.1	58.2	0	0	109.9	M34 Q38	M34-Q36 HydrophobicContact CE-CG 3.85Å; M34-Q36 HydrophobicContact CG-CG 4.22Å; M34-Q36 PolarHBondContact O-N 3.02Å; M34-Q36 VanDerWaalsContact O-N 3.16Å; Q36-Q38 VanDerWaalsContact C-N 3.3Å; Q36-Q38 HydrophobicContact CB-CG 4.42Å; Q36-Q38 PolarHBondContact O-N 2.82Å
37	S	97.8	Very high	97.7	Very high	110 Å²	110	102.9 Å²	102.9	77%	0.769	52%	0.523	S	S	*	.	S	Bend	trans	60.3	31	-178.5	-52	0	0	0	0	115	E39	S37-E39 VanDerWaalsContact C-N 3.3Å; S37-E39 PolarHBondContact O-N 3.45Å
38	Q	98.1	Very high	97.8	Very high	119 Å²	119	95.4 Å²	95.4	56%	0.556	49%	0.488	S	S	*	.			trans	-71.5	-24	180	-50.2	92.9	-33.8	0	0	113.2	M34 Q36	M34-Q38 PolarHBondContact O-NE2 2.87Å; Q36-Q38 VanDerWaalsContact C-N 3.3Å; Q36-Q38 HydrophobicContact CB-CG 4.42Å; Q36-Q38 PolarHBondContact O-N 2.82Å
39	E	96.6	Very high	97.8	Very high	135 Å²	135	97.8 Å²	97.8	63%	0.631	50%	0.497	S	S	*	.			trans	-133.2	156.1	-178.3	55.5	168.5	-163.8	0	0	111.9	S37	S37-E39 VanDerWaalsContact C-N 3.3Å; S37-E39 PolarHBondContact O-N 3.45Å
40	K	97.5	Very high	97.7	Very high	201 Å²	201	99.2 Å²	99.2	87%	0.874	51%	0.507	S	S	*	.			trans	-126.1	74.9	170.6	-65.9	-176.7	-178.4	-179.6	0	108.3
41	P	96.3	Very high	97.7	Very high	62 Å²	62	98.5 Å²	98.5	40%	0.403	50%	0.5	S	S	.	.			trans	-67.4	137.9	-177.7	27.7	-34.3	0	0	0	110.6	R43	P41-R43 HydrophobicContact CB-CB 4.24Å; P41-R43 PolarHBondContact O-N 2.84Å
42	D	96.4	Very high	97.7	Very high	183 Å²	183	95.6 Å²	95.6	98%	0.979	49%	0.487	S	S	*	.			trans	-72.9	62.5	172.3	-66.2	-44.4	0	0	0	110.9
43	R	95.6	Very high	97.6	Very high	86 Å²	86	96.6 Å²	96.6	33%	0.325	49%	0.489	S	S	.	.			trans	-124	116.5	-173.1	-177.4	-169.9	-65.6	166.5	8.9	110.1	P41 L45 W61 D115	P41-R43 HydrophobicContact CB-CB 4.24Å; P41-R43 PolarHBondContact O-N 2.84Å; R43-L45 PolarHBondContact O-N 2.87Å; R43-W61 VanDerWaalsContact CD-CD2 3.43Å; R43-W61 HydrophobicContact CG-CB 3.9Å; R43-W61 HydrophobicContact CG-CD2 3.95Å; R43-W61 HydrophobicContact CG-CG 3.62Å; R43-W61 VanDerWaalsContact CZ-CH2 3.48Å; R43-D115 IonicContact NH1-OD2 3.79Å; R43-D115 PolarHBondContact NH1-OD2 2.87Å
44	V	98.1	Very high	97.6	Very high	118 Å²	118	98.7 Å²	98.7	72%	0.715	49%	0.487	S	S	*	.			trans	-85.1	113.5	174.6	-177.3	0	0	0	0	109.8
45	L	98.3	Very high	97.6	Very high	72 Å²	72	95 Å²	95	38%	0.377	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.1	173.1	-65	173.5	0	0	0	109.8	R43 W61 R63	R43-L45 PolarHBondContact O-N 2.87Å; L45-W61 CarbonylContact C-O 3.57Å; L45-W61 WeakPolarHBondContact CA-O 3.43Å; L45-W61 HydrophobicContact CD2-CB 3.93Å; L45-R63 HydrophobicContact CD1-CB 4.06Å; L45-R63 HydrophobicContact CD2-CB 4.3Å
46	V	98.4	Very high	97.5	Very high	23 Å²	23	92.3 Å²	92.3	14%	0.139	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	150.8	176.7	-51.4	0	0	0	0	110.9	L51 V60 W61 V62	V46-L51 HydrophobicContact CG2-CD2 3.6Å; V46-L51 HydrophobicContact CG2-CG 4.42Å; V46-V60 HydrophobicContact CG1-CB 4.43Å; V46-V60 HydrophobicContact CG1-CG1 4.41Å; V46-V60 HydrophobicContact CG2-CB 3.89Å; V46-V60 HydrophobicContact CG2-CG1 4.33Å; V46-V60 HydrophobicContact CG2-CG2 4.21Å; V46-W61 PolarHBondContact N-O 3.31Å; V46-V62 HydrophobicContact CG2-CG2 3.75Å
47	R	98.6	Very high	97.5	Very high	158 Å²	158	92.2 Å²	92.2	60%	0.596	46%	0.462	S	S	*	.			trans	-82	149.7	176.5	-56.2	176.7	170.6	179.5	-2.6	110.2	R49 D50 Q82	R47-R49 VanDerWaalsContact C-N 3.25Å; R47-R49 HydrophobicContact CB-CG 4.1Å; R47-R49 PolarHBondContact O-N 2.83Å; R47-D50 VanDerWaalsContact CB-OD2 3.31Å; R47-D50 WeakPolarHBondContact CB-OD2 3.42Å; R47-D50 PolarHBondContact O-N 3.08Å; R47-Q82 VanDerWaalsContact CA-OE1 3.22Å; R47-Q82 VanDerWaalsContact CB-OE1 3.31Å
48	V	98.6	Very high	97.6	Very high	0 Å²	0	90.5 Å²	90.5	0%	0	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-61	-36.3	-179.8	173.6	0	0	0	0	111.6	D50 L51 V62 A64 Q82 F85 V87 Q132	V48-D50 PolarHBondContact O-N 3.03Å; V48-L51 WeakPolarHBondContact O-CB 3.3Å; V48-L51 PolarHBondContact O-N 3.06Å; V48-L51 VanDerWaalsContact O-N 3.17Å; V48-V62 HydrophobicContact CG2-CG1 3.81Å; V48-A64 HydrophobicContact CG2-CB 4.32Å; V48-Q82 HydrophobicContact CB-CB 3.88Å; V48-Q82 HydrophobicContact CG2-CB 3.46Å; V48-Q82 VanDerWaalsContact CG2-CB 3.46Å; V48-Q82 HydrophobicContact CG2-CG 4.44Å; V48-F85 HydrophobicContact CB-CB 4.43Å; V48-F85 HydrophobicContact CG1-CB 4.14Å; V48-V87 HydrophobicContact CG1-CB 4.04Å; V48-V87 HydrophobicContact CG1-CG1 3.92Å; V48-Q132 HydrophobicContact CG1-CG 4.13Å; V48-Q132 VanDerWaalsContact O-CG 3.3Å; V48-Q132 WeakPolarHBondContact O-CG 3.18Å
49	R	97.6	Very high	97.6	Very high	131 Å²	131	88.9 Å²	88.9	49%	0.494	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-63	-22.9	176.2	68.3	177.2	-69.6	164.1	2.2	114.2	R47 F85 Q132	R47-R49 VanDerWaalsContact C-N 3.25Å; R47-R49 HydrophobicContact CB-CG 4.1Å; R47-R49 PolarHBondContact O-N 2.83Å; R49-F85 HydrophobicContact CB-CB 4.46Å; R49-F85 HydrophobicContact CB-CD1 3.98Å; R49-F85 HydrophobicContact CB-CD2 3.9Å; R49-F85 HydrophobicContact CB-CE1 4.17Å; R49-F85 HydrophobicContact CB-CE2 4.1Å; R49-F85 HydrophobicContact CB-CG 3.84Å; R49-F85 HydrophobicContact CB-CZ 4.23Å; R49-Q132 PolarHBondContact O-NE2 2.88Å
50	D	98.2	Very high	97.7	Very high	71 Å²	71	82.8 Å²	82.8	38%	0.38	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-88.5	-10.3	-178.7	-52.8	-32.7	0	0	0	111.6	R47 V48 T52	R47-D50 VanDerWaalsContact CB-OD2 3.31Å; R47-D50 WeakPolarHBondContact CB-OD2 3.42Å; R47-D50 PolarHBondContact O-N 3.08Å; V48-D50 PolarHBondContact O-N 3.03Å; D50-T52 VanDerWaalsContact C-N 3.28Å; D50-T52 PolarHBondContact O-N 2.93Å; D50-T52 PolarHBondContact O-OG1 3.27Å; D50-T52 VanDerWaalsContact O-OG1 3.12Å
51	L	98	Very high	97.7	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	38%	0.376	C	S	.	.			trans	-72.7	83.7	173.9	-58.4	174.7	0	0	0	109.6	V46 V48 V60 V62 V87 V120 Q132 V135	V46-L51 HydrophobicContact CG2-CD2 3.6Å; V46-L51 HydrophobicContact CG2-CG 4.42Å; V48-L51 WeakPolarHBondContact O-CB 3.3Å; V48-L51 PolarHBondContact O-N 3.06Å; V48-L51 VanDerWaalsContact O-N 3.17Å; L51-V60 HydrophobicContact CD2-CG2 3.93Å; L51-V62 HydrophobicContact CD1-CG2 3.98Å; L51-V62 HydrophobicContact CD2-CG2 4.23Å; L51-V87 HydrophobicContact CD1-CB 4.34Å; L51-V87 HydrophobicContact CD1-CG1 3.79Å; L51-V87 HydrophobicContact CD1-CG2 4.37Å; L51-V120 HydrophobicContact CD2-CG2 3.88Å; L51-Q132 HydrophobicContact CB-CG 4.42Å; L51-Q132 PolarHBondContact O-NE2 2.94Å; L51-V135 WeakPolarHBondContact O-CG2 3.4Å
52	T	97.2	Very high	97.9	Very high	47 Å²	47	71.8 Å²	71.8	29%	0.288	36%	0.357	S	S	.	.	S	Bend	trans	-122.7	172.9	-174.1	53.1	0	0	0	0	109.6	D50 Q54 K55	D50-T52 VanDerWaalsContact C-N 3.28Å; D50-T52 PolarHBondContact O-N 2.93Å; D50-T52 PolarHBondContact O-OG1 3.27Å; D50-T52 VanDerWaalsContact O-OG1 3.12Å; T52-Q54 PolarHBondContact O-N 3.05Å; T52-Q54 VanDerWaalsContact O-N 3.13Å; T52-Q54 PolarHBondContact OG1-OE1 2.76Å; T52-K55 PolarHBondContact O-N 2.74Å
53	I	96.9	Very high	98	Very high	62 Å²	62	67 Å²	67	32%	0.318	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.3	179.4	-167.9	62.8	0	0	0	112.7	K55 A56 K122 V135	I53-K55 PolarHBondContact O-N 3.48Å; I53-A56 HydrophobicContact CD1-CB 4.28Å; I53-A56 VanDerWaalsContact O-CB 3.3Å; I53-A56 WeakPolarHBondContact O-CB 3.31Å; I53-A56 PolarHBondContact O-N 2.69Å; I53-A56 VanDerWaalsContact O-N 3.15Å; I53-K122 HydrophobicContact CD1-CB 3.76Å; I53-K122 HydrophobicContact CD1-CD 3.94Å; I53-K122 HydrophobicContact CD1-CG 3.64Å; I53-V135 HydrophobicContact CD1-CG1 4.17Å
54	Q	97.3	Very high	98.1	Very high	148 Å²	148	63.1 Å²	63.1	69%	0.692	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.4	-19.8	174.9	-70.9	74.1	10.9	0	0	113.3	T52	T52-Q54 PolarHBondContact O-N 3.05Å; T52-Q54 VanDerWaalsContact O-N 3.13Å; T52-Q54 PolarHBondContact OG1-OE1 2.76Å
55	K	97.3	Very high	98.2	Very high	54 Å²	54	60.9 Å²	60.9	24%	0.235	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-102.2	14.1	175.3	-65.2	-155.9	146	-64.8	0	113.7	T52 I53 D57 E58 V120	T52-K55 PolarHBondContact O-N 2.74Å; I53-K55 PolarHBondContact O-N 3.48Å; K55-D57 PolarHBondContact O-N 3.39Å; K55-E58 HydrophobicContact CB-CG 4.49Å; K55-E58 IonicContact NZ-OE1 3.31Å; K55-E58 PolarHBondContact NZ-OE1 2.97Å; K55-E58 IonicContact NZ-OE2 3.39Å; K55-E58 PolarHBondContact NZ-OE2 3.01Å; K55-E58 WeakPolarHBondContact O-CB 3.14Å; K55-E58 PolarHBondContact O-N 2.82Å; K55-V120 WeakPolarHBondContact O-CB 3.29Å
56	A	97.4	Very high	98.2	Very high	33 Å²	33	57.4 Å²	57.4	27%	0.273	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	140.3	179.3	0	0	0	0	0	111.8	I53 E58	I53-A56 HydrophobicContact CD1-CB 4.28Å; I53-A56 VanDerWaalsContact O-CB 3.3Å; I53-A56 WeakPolarHBondContact O-CB 3.31Å; I53-A56 PolarHBondContact O-N 2.69Å; I53-A56 VanDerWaalsContact O-N 3.15Å; A56-E58 PolarHBondContact O-N 2.95Å; A56-E58 VanDerWaalsContact O-N 3.13Å
57	D	98.1	Very high	98.2	Very high	122 Å²	122	57.6 Å²	57.6	65%	0.652	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	6.5	-178.5	-54.4	-59.3	0	0	0	115.7	K55 V120	K55-D57 PolarHBondContact O-N 3.39Å; D57-V120 WeakPolarHBondContact CA-O 3.39Å; D57-V120 PolarHBondContact N-O 3.49Å
58	E	98.4	Very high	98.1	Very high	74 Å²	74	52.1 Å²	52.1	35%	0.346	26%	0.255	S	S	.	.			trans	-75.4	140.1	167.8	-64.6	-174.8	-151.1	0	0	112.3	K55 A56 V60 V119 V120	K55-E58 HydrophobicContact CB-CG 4.49Å; K55-E58 IonicContact NZ-OE1 3.31Å; K55-E58 PolarHBondContact NZ-OE1 2.97Å; K55-E58 IonicContact NZ-OE2 3.39Å; K55-E58 PolarHBondContact NZ-OE2 3.01Å; K55-E58 WeakPolarHBondContact O-CB 3.14Å; K55-E58 PolarHBondContact O-N 2.82Å; A56-E58 PolarHBondContact O-N 2.95Å; A56-E58 VanDerWaalsContact O-N 3.13Å; E58-V60 HydrophobicContact CB-CG1 4.07Å; E58-V119 WeakPolarHBondContact O-CA 3.32Å; E58-V120 PolarHBondContact O-N 3.31Å
59	V	98.5	Very high	98	Very high	86 Å²	86	54 Å²	54	52%	0.521	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.8	162.7	-179.9	0	0	0	0	108.6	E117 G118 V119	V59-E117 HydrophobicContact CG1-CG 4.02Å; V59-G118 WeakPolarHBondContact CA-O 3.41Å; V59-V119 HydrophobicContact CG2-CG2 3.94Å
60	V	98.6	Very high	97.9	Very high	6 Å²	6	57 Å²	57	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.2	-178	-61.2	0	0	0	0	111.8	V46 L51 E58 V62 E117 G118 V120 L137	V46-V60 HydrophobicContact CG1-CB 4.43Å; V46-V60 HydrophobicContact CG1-CG1 4.41Å; V46-V60 HydrophobicContact CG2-CB 3.89Å; V46-V60 HydrophobicContact CG2-CG1 4.33Å; V46-V60 HydrophobicContact CG2-CG2 4.21Å; L51-V60 HydrophobicContact CD2-CG2 3.93Å; E58-V60 HydrophobicContact CB-CG1 4.07Å; V60-V62 HydrophobicContact CG2-CG2 4.15Å; V60-E117 WeakPolarHBondContact O-CA 3.21Å; V60-G118 PolarHBondContact N-O 2.67Å; V60-G118 PolarHBondContact O-N 2.94Å; V60-V120 HydrophobicContact CG1-CG2 4.2Å; V60-V120 HydrophobicContact CG2-CG2 3.66Å; V60-L137 HydrophobicContact CG2-CD1 3.75Å
61	W	98.8	Very high	97.8	Very high	32 Å²	32	56.4 Å²	56.4	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.3	166.6	-80.5	85.4	0	0	0	110.8	R43 L45 V46 D115 V116 E117 K141 Y143	R43-W61 VanDerWaalsContact CD-CD2 3.43Å; R43-W61 HydrophobicContact CG-CB 3.9Å; R43-W61 HydrophobicContact CG-CD2 3.95Å; R43-W61 HydrophobicContact CG-CG 3.62Å; R43-W61 VanDerWaalsContact CZ-CH2 3.48Å; L45-W61 CarbonylContact C-O 3.57Å; L45-W61 WeakPolarHBondContact CA-O 3.43Å; L45-W61 HydrophobicContact CD2-CB 3.93Å; V46-W61 PolarHBondContact N-O 3.31Å; W61-D115 HydrophobicContact CE3-CB 4.2Å; W61-D115 HydrophobicContact CZ3-CB 3.96Å; W61-V116 CarbonylContact C-O 3.6Å; W61-V116 WeakPolarHBondContact CA-O 3.02Å; W61-E117 HydrophobicContact CD2-CB 3.8Å; W61-E117 HydrophobicContact CD2-CG 4.15Å; W61-E117 HydrophobicContact CE3-CB 4.08Å; W61-E117 HydrophobicContact CG-CB 4.4Å; W61-E117 HydrophobicContact CG-CG 4.39Å; W61-E117 HydrophobicContact CH2-CB 4.07Å; W61-E117 HydrophobicContact CZ2-CB 3.75Å; W61-E117 HydrophobicContact CZ2-CG 4.04Å; W61-E117 VanDerWaalsContact CZ2-OE1 3.26Å; W61-E117 WeakPolarHBondContact CZ2-OE1 3.41Å; W61-E117 HydrophobicContact CZ3-CB 4.2Å; W61-E117 PolarHBondContact NE1-OE1 2.83Å; W61-K141 HydrophobicContact CH2-CD 4.24Å; W61-K141 HydrophobicContact CZ2-CD 4.18Å; W61-Y143 HydrophobicContact CH2-CD2 4.17Å; W61-Y143 AromaticContact CH2-CE2 3.85Å; W61-Y143 HydrophobicContact CH2-CE2 3.85Å; W61-Y143 HydrophobicContact CZ3-CD2 4.2Å; W61-Y143 HydrophobicContact CZ3-CE2 4.33Å
62	V	98.8	Very high	97.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.4	-177.9	-178.2	0	0	0	0	109.6	V46 V48 L51 V60 A64 D115 V116 L137	V46-V62 HydrophobicContact CG2-CG2 3.75Å; V48-V62 HydrophobicContact CG2-CG1 3.81Å; L51-V62 HydrophobicContact CD1-CG2 3.98Å; L51-V62 HydrophobicContact CD2-CG2 4.23Å; V60-V62 HydrophobicContact CG2-CG2 4.15Å; V62-A64 HydrophobicContact CG1-CB 4.1Å; V62-D115 WeakPolarHBondContact O-CA 3.42Å; V62-V116 PolarHBondContact N-O 3.16Å; V62-V116 PolarHBondContact O-N 2.88Å; V62-L137 HydrophobicContact CG2-CD2 4.27Å
63	R	98.9	Very high	97.4	Very high	83 Å²	83	65.5 Å²	65.5	31%	0.313	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.4	167.3	-177.9	169.4	-69.7	-177	-0.6	110.2	L45 Q82 I113 V114 D115	L45-R63 HydrophobicContact CD1-CB 4.06Å; L45-R63 HydrophobicContact CD2-CB 4.3Å; R63-Q82 PolarHBondContact O-NE2 3.39Å; R63-I113 HydrophobicContact CG-CG2 3.84Å; R63-V114 WeakPolarHBondContact CA-O 3.13Å; R63-D115 WeakPolarHBondContact CB-OD1 3.34Å; R63-D115 WeakPolarHBondContact CG-OD1 3.32Å; R63-D115 IonicContact CZ-OD1 3.72Å; R63-D115 IonicContact CZ-OD2 3.1Å; R63-D115 IonicContact NE-OD1 2.7Å; R63-D115 PolarHBondContact NE-OD1 3.48Å; R63-D115 IonicContact NE-OD2 3Å; R63-D115 VanDerWaalsContact NH2-CG 3.34Å; R63-D115 IonicContact NH2-OD1 2.67Å; R63-D115 PolarHBondContact NH2-OD1 3.24Å; R63-D115 VanDerWaalsContact NH2-OD1 3.16Å; R63-D115 IonicContact NH2-OD2 3.39Å; R63-D115 PolarHBondContact NH2-OD2 3.01Å
64	A	98.8	Very high	97.3	Very high	4 Å²	4	70 Å²	70	3%	0.033	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.4	-173.6	0	0	0	0	0	112.2	V48 V62 L80 I113 V114	V48-A64 HydrophobicContact CG2-CB 4.32Å; V62-A64 HydrophobicContact CG1-CB 4.1Å; A64-L80 HydrophobicContact CB-CB 3.91Å; A64-I113 WeakPolarHBondContact O-CA 3.26Å; A64-V114 PolarHBondContact N-O 3.36Å; A64-V114 WeakPolarHBondContact O-CG2 3.45Å; A64-V114 PolarHBondContact O-N 2.78Å
65	R	98.8	Very high	97.3	Very high	71 Å²	71	66.7 Å²	66.7	27%	0.268	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.9	167.8	-74	-173.4	173.5	89.5	1.1	110.8	H67 L80 R81 E111 S112 I113	R65-H67 PolarHBondContact O-N 3.03Å; R65-L80 WeakPolarHBondContact O-CA 3.4Å; R65-R81 PolarHBondContact N-O 3.17Å; R65-R81 PolarHBondContact O-N 2.91Å; R65-E111 WeakPolarHBondContact CD-OE2 3.34Å; R65-E111 IonicContact NE-OE2 3.71Å; R65-S112 WeakPolarHBondContact CA-O 3.45Å; R65-I113 HydrophobicContact CG-CG1 3.87Å
66	V	98.6	Very high	97.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	102.7	165.8	179.2	0	0	0	0	108.5	L78 L80 I108 E111 S112 V114	V66-L78 HydrophobicContact CG1-CD2 4Å; V66-L78 HydrophobicContact CG2-CD2 3.98Å; V66-L80 HydrophobicContact CG2-CD2 4.28Å; V66-I108 HydrophobicContact CB-CG2 4.31Å; V66-I108 HydrophobicContact CG2-CG2 3.85Å; V66-E111 PolarHBondContact O-N 2.77Å; V66-S112 PolarHBondContact N-O 2.78Å; V66-V114 HydrophobicContact CG2-CG1 3.9Å; V66-V114 HydrophobicContact CG2-CG2 3.81Å
67	H	98.1	Very high	97.4	Very high	27 Å²	27	65.2 Å²	65.2	13%	0.125	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-50.2	178.1	-175.7	81	0	0	0	110.7	R65 V79 R81 D157	R65-H67 PolarHBondContact O-N 3.03Å; H67-V79 HydrophobicContact CB-CB 4.19Å; H67-V79 HydrophobicContact CB-CG1 4.07Å; H67-V79 WeakPolarHBondContact CB-O 3.42Å; H67-V79 PolarHBondContact N-O 3.33Å; H67-R81 HydrophobicContact CB-CB 3.97Å; H67-R81 PolarHBondContact ND1-NE 2.85Å; H67-D157 IonicContact CD2-OD1 3.55Å; H67-D157 IonicContact CE1-OD1 2.67Å; H67-D157 IonicContact NE2-OD1 2.76Å; H67-D157 PolarHBondContact NE2-OD1 3.39Å
68	T	96.9	Very high	97.4	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.258	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.1	171.8	50.9	0	0	0	0	110.4	L78 V79	T68-L78 CarbonylContact O-C 3.51Å; T68-L78 VanDerWaalsContact O-CA 3.31Å; T68-L78 WeakPolarHBondContact O-CA 3.14Å; T68-V79 PolarHBondContact O-N 2.86Å; T68-V79 WeakPolarHBondContact OG1-CG2 3.29Å
69	S	96.6	Very high	97.4	Very high	40 Å²	40	56.9 Å²	56.9	28%	0.28	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.3	171.6	55.5	0	0	0	0	109.4	F77 A106	S69-F77 CarbonylContact C-O 3.53Å; S69-F77 WeakPolarHBondContact CA-O 3.39Å; S69-A106 PolarHBondContact OG-O 3.31Å
70	R	96	Very high	97.4	Very high	194 Å²	194	52.9 Å²	52.9	73%	0.732	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	110.3	179.8	-173.1	-179.1	-175.6	-179.2	4.8	110.6	F77	R70-F77 PolarHBondContact N-O 2.84Å; R70-F77 PolarHBondContact O-N 2.96Å
71	A	95.4	Very high	97.4	Very high	58 Å²	58	53.4 Å²	53.4	48%	0.479	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.3	172.3	0	0	0	0	0	112.4	Q75 A106	A71-Q75 CarbonylContact C-O 3.52Å; A71-Q75 WeakPolarHBondContact CA-O 3.47Å; A71-A106 HydrophobicContact CB-CB 3.79Å
72	K	93.5	Very high	97.4	Very high	159 Å²	159	53.9 Å²	53.9	69%	0.691	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	95.9	169.6	-167.5	-178.6	-176.8	-175.3	0	109.6	K74 Q75	K72-K74 PolarHBondContact O-N 3.33Å; K72-K74 VanDerWaalsContact O-N 3.13Å; K72-Q75 PolarHBondContact N-O 2.57Å; K72-Q75 PolarHBondContact O-N 3.17Å
73	G	92.8	Very high	97.3	Very high	80 Å²	80	57.9 Å²	57.9	83%	0.825	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-111.5	178.2	0	0	0	0	0	112.8	Q75	G73-Q75 VanDerWaalsContact C-N 3.32Å
74	K	95.7	Very high	97	Very high	156 Å²	156	54.6 Å²	54.6	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	8	-179.4	-65.5	-173.6	-178.8	-178.7	0	114.2	K72 V93	K72-K74 PolarHBondContact O-N 3.33Å; K72-K74 VanDerWaalsContact O-N 3.13Å; K74-V93 HydrophobicContact CB-CB 4.21Å; K74-V93 HydrophobicContact CB-CG2 4.09Å; K74-V93 PolarHBondContact O-N 2.83Å
75	Q	97.5	Very high	96.9	Very high	79 Å²	79	55.5 Å²	55.5	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146	-175.8	-69.1	175.6	-35.7	0	0	111.1	A71 K72 G73 F77 L90 V91 A92	A71-Q75 CarbonylContact C-O 3.52Å; A71-Q75 WeakPolarHBondContact CA-O 3.47Å; K72-Q75 PolarHBondContact N-O 2.57Å; K72-Q75 PolarHBondContact O-N 3.17Å; G73-Q75 VanDerWaalsContact C-N 3.32Å; Q75-F77 HydrophobicContact CB-CE2 4.01Å; Q75-L90 HydrophobicContact CB-CD1 4Å; Q75-L90 HydrophobicContact CG-CD1 4.14Å; Q75-V91 CarbonylContact C-O 3.5Å; Q75-V91 WeakPolarHBondContact CA-O 3.39Å; Q75-A92 HydrophobicContact CG-CB 3.99Å
76	C	98.3	Very high	96.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.2	165	-175.6	0	0	0	0	108.9	V91 V102 A105	C76-V91 HydrophobicContact CB-CB 4.42Å; C76-V91 PolarHBondContact N-O 2.8Å; C76-V91 PolarHBondContact O-N 3.17Å; C76-V102 HydrophobicContact CB-CG1 3.94Å; C76-A105 HydrophobicContact CB-CB 4.49Å
77	F	98.3	Very high	96.9	Very high	57 Å²	57	53.4 Å²	53.4	25%	0.25	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.9	172.8	-63.4	-94.4	0	0	0	108.6	S69 R70 Q75 Q88 A89 L90	S69-F77 CarbonylContact C-O 3.53Å; S69-F77 WeakPolarHBondContact CA-O 3.39Å; R70-F77 PolarHBondContact N-O 2.84Å; R70-F77 PolarHBondContact O-N 2.96Å; Q75-F77 HydrophobicContact CB-CE2 4.01Å; F77-Q88 HydrophobicContact CD1-CG 4.32Å; F77-A89 CarbonylContact C-O 3.59Å; F77-A89 WeakPolarHBondContact CA-O 3.49Å; F77-L90 HydrophobicContact CD1-CD1 3.96Å; F77-L90 HydrophobicContact CD2-CD1 4.37Å; F77-L90 HydrophobicContact CE1-CD1 3.7Å; F77-L90 HydrophobicContact CE1-CD2 4.25Å; F77-L90 HydrophobicContact CE1-CG 4.39Å; F77-L90 HydrophobicContact CE2-CD1 4.13Å; F77-L90 HydrophobicContact CG-CD1 4.29Å; F77-L90 HydrophobicContact CZ-CD1 3.79Å
78	L	98.6	Very high	96.9	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.3	173.7	-57.2	90.5	0	0	0	109	V66 T68 L80 A89 V91 A105 I142	V66-L78 HydrophobicContact CG1-CD2 4Å; V66-L78 HydrophobicContact CG2-CD2 3.98Å; T68-L78 CarbonylContact O-C 3.51Å; T68-L78 VanDerWaalsContact O-CA 3.31Å; T68-L78 WeakPolarHBondContact O-CA 3.14Å; L78-L80 HydrophobicContact CB-CD2 4.33Å; L78-A89 HydrophobicContact CB-CB 4.5Å; L78-A89 PolarHBondContact N-O 3.39Å; L78-A89 PolarHBondContact O-N 3.48Å; L78-V91 HydrophobicContact CD1-CG2 3.72Å; L78-A105 HydrophobicContact CD1-CB 4.31Å; L78-I142 HydrophobicContact CD2-CD1 4.09Å
79	V	98.6	Very high	97	Very high	19 Å²	19	52 Å²	52	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.9	164.5	178.1	0	0	0	0	107.3	H67 T68 N86	H67-V79 HydrophobicContact CB-CB 4.19Å; H67-V79 HydrophobicContact CB-CG1 4.07Å; H67-V79 WeakPolarHBondContact CB-O 3.42Å; H67-V79 PolarHBondContact N-O 3.33Å; T68-V79 PolarHBondContact O-N 2.86Å; T68-V79 WeakPolarHBondContact OG1-CG2 3.29Å; V79-N86 HydrophobicContact CG1-CB 3.83Å
80	L	98.8	Very high	97.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.9	177.8	-62.1	-176.6	0	0	0	109.2	A64 R65 V66 L78 N86 V87 A89 V114 V116 L137	A64-L80 HydrophobicContact CB-CB 3.91Å; R65-L80 WeakPolarHBondContact O-CA 3.4Å; V66-L80 HydrophobicContact CG2-CD2 4.28Å; L78-L80 HydrophobicContact CB-CD2 4.33Å; L80-N86 CarbonylContact O-C 3.6Å; L80-N86 WeakPolarHBondContact O-CA 3.11Å; L80-V87 HydrophobicContact CB-CG1 4.01Å; L80-V87 PolarHBondContact N-O 3.21Å; L80-V87 PolarHBondContact O-N 3.48Å; L80-A89 HydrophobicContact CD1-CB 3.59Å; L80-A89 HydrophobicContact CG-CB 3.8Å; L80-V114 HydrophobicContact CD2-CG2 3.89Å; L80-V116 HydrophobicContact CD1-CB 4.2Å; L80-V116 HydrophobicContact CD1-CG1 4.24Å; L80-V116 HydrophobicContact CD1-CG2 3.81Å; L80-V116 HydrophobicContact CD2-CG2 4.36Å; L80-L137 HydrophobicContact CD1-CD2 4.01Å
81	R	98.6	Very high	97.2	Very high	17 Å²	17	41.5 Å²	41.5	6%	0.064	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134	-174.9	-174.1	179.6	65.5	83.4	-4.9	111.8	R65 H67 Q83 F85 N86 E111 R188	R65-R81 PolarHBondContact N-O 3.17Å; R65-R81 PolarHBondContact O-N 2.91Å; H67-R81 HydrophobicContact CB-CB 3.97Å; H67-R81 PolarHBondContact ND1-NE 2.85Å; R81-Q83 WeakPolarHBondContact CG-O 3.31Å; R81-Q83 PolarHBondContact NH1-O 3.02Å; R81-F85 CarbonylContact C-O 3.58Å; R81-F85 WeakPolarHBondContact CA-O 3.22Å; R81-F85 WeakPolarHBondContact CG-O 3.24Å; R81-N86 HydrophobicContact CB-CB 4.12Å; R81-N86 HydrophobicContact CG-CB 4.25Å; R81-E111 IonicContact CZ-OE1 3.79Å; R81-E111 IonicContact NE-OE1 3.34Å; R81-E111 VanDerWaalsContact NH2-CD 3.28Å; R81-E111 IonicContact NH2-OE1 3.71Å; R81-E111 PolarHBondContact NH2-OE1 3.27Å; R81-E111 IonicContact NH2-OE2 2.67Å; R81-E111 PolarHBondContact NH2-OE2 3.39Å; R81-E111 VanDerWaalsContact NH2-OE2 3.14Å; R81-R188 PolarHBondContact NH1-O 2.88Å
82	Q	98.4	Very high	97.3	Very high	42 Å²	42	40.5 Å²	40.5	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	110.7	173.2	-171.7	-175.4	74.6	0	0	108	R47 V48 R63 Q84 F85	R47-Q82 VanDerWaalsContact CA-OE1 3.22Å; R47-Q82 VanDerWaalsContact CB-OE1 3.31Å; V48-Q82 HydrophobicContact CB-CB 3.88Å; V48-Q82 HydrophobicContact CG2-CB 3.46Å; V48-Q82 VanDerWaalsContact CG2-CB 3.46Å; V48-Q82 HydrophobicContact CG2-CG 4.44Å; R63-Q82 PolarHBondContact O-NE2 3.39Å; Q82-Q84 PolarHBondContact O-N 3.14Å; Q82-F85 PolarHBondContact N-O 3.35Å; Q82-F85 PolarHBondContact O-N 3.36Å; Q82-F85 VanDerWaalsContact O-N 3.11Å
83	Q	95.3	Very high	97.5	Very high	85 Å²	85	35.2 Å²	35.2	40%	0.397	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-126.1	-170.9	-55.8	169.1	-14.1	0	0	110.1	R81	R81-Q83 WeakPolarHBondContact CG-O 3.31Å; R81-Q83 PolarHBondContact NH1-O 3.02Å
84	Q	93.8	Very high	97.6	Very high	13 Å²	13	32.9 Å²	32.9	6%	0.061	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.4	176.5	76.2	-157.7	21.2	0	0	114	Q82 Q193 E324	Q82-Q84 PolarHBondContact O-N 3.14Å; Q84-Q193 HydrophobicContact CB-CB 4.29Å; Q84-E324 PolarHBondContact NE2-OE1 2.98Å
85	F	97.2	Very high	97.3	Very high	23 Å²	23	32.3 Å²	32.3	10%	0.101	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.6	-179.1	-55.8	-77.8	0	0	0	111.4	V48 R49 R81 Q82 T131	V48-F85 HydrophobicContact CB-CB 4.43Å; V48-F85 HydrophobicContact CG1-CB 4.14Å; R49-F85 HydrophobicContact CB-CB 4.46Å; R49-F85 HydrophobicContact CB-CD1 3.98Å; R49-F85 HydrophobicContact CB-CD2 3.9Å; R49-F85 HydrophobicContact CB-CE1 4.17Å; R49-F85 HydrophobicContact CB-CE2 4.1Å; R49-F85 HydrophobicContact CB-CG 3.84Å; R49-F85 HydrophobicContact CB-CZ 4.23Å; R81-F85 CarbonylContact C-O 3.58Å; R81-F85 WeakPolarHBondContact CA-O 3.22Å; R81-F85 WeakPolarHBondContact CG-O 3.24Å; Q82-F85 PolarHBondContact N-O 3.35Å; Q82-F85 PolarHBondContact O-N 3.36Å; Q82-F85 VanDerWaalsContact O-N 3.11Å; F85-T131 WeakPolarHBondContact CA-OG1 3.46Å; F85-T131 HydrophobicContact CD1-CG2 4.49Å
86	N	98.3	Very high	97	Very high	27 Å²	27	32.1 Å²	32.1	14%	0.144	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154	176.7	61.8	1.2	0	0	0	113.1	V79 L80 R81 C130 T131 Q132	V79-N86 HydrophobicContact CG1-CB 3.83Å; L80-N86 CarbonylContact O-C 3.6Å; L80-N86 WeakPolarHBondContact O-CA 3.11Å; R81-N86 HydrophobicContact CB-CB 4.12Å; R81-N86 HydrophobicContact CG-CB 4.25Å; N86-C130 WeakPolarHBondContact OD1-CA 3.4Å; N86-T131 PolarHBondContact N-OG1 2.76Å; N86-T131 PolarHBondContact O-N 3.04Å; N86-T131 PolarHBondContact O-OG1 2.67Å; N86-T131 VanDerWaalsContact O-OG1 3.12Å; N86-T131 PolarHBondContact OD1-N 2.84Å; N86-Q132 PolarHBondContact O-N 3.15Å
87	V	98.8	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.4	179.7	66.1	0	0	0	0	109.7	V48 L51 L80 Q132	V48-V87 HydrophobicContact CG1-CB 4.04Å; V48-V87 HydrophobicContact CG1-CG1 3.92Å; L51-V87 HydrophobicContact CD1-CB 4.34Å; L51-V87 HydrophobicContact CD1-CG1 3.79Å; L51-V87 HydrophobicContact CD1-CG2 4.37Å; L80-V87 HydrophobicContact CB-CG1 4.01Å; L80-V87 PolarHBondContact N-O 3.21Å; L80-V87 PolarHBondContact O-N 3.48Å; V87-Q132 HydrophobicContact CB-CB 3.97Å; V87-Q132 HydrophobicContact CB-CG 4.02Å; V87-Q132 HydrophobicContact CG2-CB 3.87Å; V87-Q132 HydrophobicContact CG2-CG 4.33Å
88	Q	98.7	Very high	96.8	Very high	38 Å²	38	29.4 Å²	29.4	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.9	170.3	-177.1	167	-80	0	0	110.3	F77 I127 E136 L137	F77-Q88 HydrophobicContact CD1-CG 4.32Å; Q88-I127 HydrophobicContact CB-CD1 3.59Å; Q88-I127 HydrophobicContact CB-CG2 4.37Å; Q88-I127 HydrophobicContact CG-CD1 4.17Å; Q88-E136 HydrophobicContact CB-CB 4.23Å; Q88-E136 HydrophobicContact CG-CB 4.49Å; Q88-E136 PolarHBondContact NE2-OE2 2.96Å; Q88-E136 CarbonylContact O-C 3.57Å; Q88-E136 WeakPolarHBondContact O-CA 3.21Å; Q88-L137 PolarHBondContact O-N 2.78Å
89	A	98.7	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.8	169.6	0	0	0	0	0	110.3	F77 L78 L80 L137 V139	F77-A89 CarbonylContact C-O 3.59Å; F77-A89 WeakPolarHBondContact CA-O 3.49Å; L78-A89 HydrophobicContact CB-CB 4.5Å; L78-A89 PolarHBondContact N-O 3.39Å; L78-A89 PolarHBondContact O-N 3.48Å; L80-A89 HydrophobicContact CD1-CB 3.59Å; L80-A89 HydrophobicContact CG-CB 3.8Å; A89-L137 CarbonylContact C-O 3.5Å; A89-L137 VanDerWaalsContact CA-O 3.24Å; A89-L137 WeakPolarHBondContact CA-O 3.43Å; A89-L137 HydrophobicContact CB-CB 4.13Å; A89-V139 HydrophobicContact CB-CG2 3.86Å
90	L	98.4	Very high	96.7	Very high	13 Å²	13	36 Å²	36	7%	0.068	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.6	-178.1	174.4	56.9	0	0	0	110.4	Q75 F77 A92 L137 V139	Q75-L90 HydrophobicContact CB-CD1 4Å; Q75-L90 HydrophobicContact CG-CD1 4.14Å; F77-L90 HydrophobicContact CD1-CD1 3.96Å; F77-L90 HydrophobicContact CD2-CD1 4.37Å; F77-L90 HydrophobicContact CE1-CD1 3.7Å; F77-L90 HydrophobicContact CE1-CD2 4.25Å; F77-L90 HydrophobicContact CE1-CG 4.39Å; F77-L90 HydrophobicContact CE2-CD1 4.13Å; F77-L90 HydrophobicContact CG-CD1 4.29Å; F77-L90 HydrophobicContact CZ-CD1 3.79Å; L90-A92 HydrophobicContact CD1-CB 4.35Å; L90-A92 HydrophobicContact CG-CB 4.29Å; L90-L137 PolarHBondContact N-O 2.84Å; L90-V139 PolarHBondContact O-N 2.96Å
91	V	98.4	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.2	165.4	-165.8	0	0	0	0	107.5	Q75 C76 L78 A97 M101 V102 A105 V139	Q75-V91 CarbonylContact C-O 3.5Å; Q75-V91 WeakPolarHBondContact CA-O 3.39Å; C76-V91 HydrophobicContact CB-CB 4.42Å; C76-V91 PolarHBondContact N-O 2.8Å; C76-V91 PolarHBondContact O-N 3.17Å; L78-V91 HydrophobicContact CD1-CG2 3.72Å; V91-A97 HydrophobicContact CG1-CB 3.82Å; V91-M101 HydrophobicContact CG1-CE 4.45Å; V91-M101 HydrophobicContact CG1-CG 4.18Å; V91-V102 HydrophobicContact CB-CG2 4.37Å; V91-V102 HydrophobicContact CG1-CG2 3.81Å; V91-A105 HydrophobicContact CB-CB 4.43Å; V91-A105 HydrophobicContact CG2-CB 3.81Å; V91-V139 HydrophobicContact CG2-CB 3.88Å; V91-V139 HydrophobicContact CG2-CG1 4.07Å; V91-V139 HydrophobicContact CG2-CG2 3.99Å
92	A	97.6	Very high	96.6	Very high	37 Å²	37	35.5 Å²	35.5	31%	0.306	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.9	-178.2	0	0	0	0	0	110.9	Q75 L90 G94	Q75-A92 HydrophobicContact CG-CB 3.99Å; L90-A92 HydrophobicContact CD1-CB 4.35Å; L90-A92 HydrophobicContact CG-CB 4.29Å; A92-G94 PolarHBondContact O-N 2.81Å
93	V	96.6	Very high	96.6	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.291	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-62.6	124.3	179.3	-178.6	0	0	0	0	110.6	K74 A97 K99 V102	K74-V93 HydrophobicContact CB-CB 4.21Å; K74-V93 HydrophobicContact CB-CG2 4.09Å; K74-V93 PolarHBondContact O-N 2.83Å; V93-A97 VanDerWaalsContact CA-O 3.3Å; V93-A97 WeakPolarHBondContact CA-O 3.44Å; V93-K99 HydrophobicContact CG1-CG 4.48Å; V93-K99 HydrophobicContact CG2-CG 4.24Å; V93-V102 HydrophobicContact CG2-CB 4.44Å; V93-V102 HydrophobicContact CG2-CG2 3.8Å
94	G	94.1	Very high	96.7	Very high	31 Å²	31	38.2 Å²	38.2	32%	0.32	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	168.1	-162.1	-176.5	0	0	0	0	0	110.5	Y24 A92 H96 A97	Y24-G94 PolarHBondContact OH-O 2.87Å; A92-G94 PolarHBondContact O-N 2.81Å; G94-H96 PolarHBondContact O-N 3.07Å; G94-A97 PolarHBondContact N-O 2.78Å; G94-A97 VanDerWaalsContact N-O 3.08Å; G94-A97 PolarHBondContact O-N 3.21Å; G94-A97 VanDerWaalsContact O-O 3.13Å
95	D	90	Very high	97	Very high	144 Å²	144	37.6 Å²	37.6	77%	0.77	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.3	-172	-47.1	-17.7	0	0	0	115	R28	R28-D95 PolarHBondContact NH1-O 2.95Å
96	H	91	Very high	97	Very high	75 Å²	75	37.6 Å²	37.6	35%	0.347	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-35.9	-179.1	-61.5	-39.7	0	0	0	114.5	R28 G94 Q140	R28-H96 WeakPolarHBondContact CD-O 3.37Å; R28-H96 VanDerWaalsContact NH1-C 3.34Å; R28-H96 VanDerWaalsContact NH1-CA 3.28Å; R28-H96 PolarHBondContact NH1-O 2.98Å; G94-H96 PolarHBondContact O-N 3.07Å; H96-Q140 HydrophobicContact CB-CG 4.31Å; H96-Q140 PolarHBondContact CE1-NE2 3.04Å; H96-Q140 PolarHBondContact NE2-NE2 2.8Å; H96-Q140 VanDerWaalsContact NE2-NE2 3.12Å
97	A	96.4	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-134	134.3	-169.3	0	0	0	0	0	113.5	Y24 V91 V93 G94 M101	Y24-A97 PolarHBondContact OH-O 3.13Å; V91-A97 HydrophobicContact CG1-CB 3.82Å; V93-A97 VanDerWaalsContact CA-O 3.3Å; V93-A97 WeakPolarHBondContact CA-O 3.44Å; G94-A97 PolarHBondContact N-O 2.78Å; G94-A97 VanDerWaalsContact N-O 3.08Å; G94-A97 PolarHBondContact O-N 3.21Å; G94-A97 VanDerWaalsContact O-O 3.13Å; A97-M101 HydrophobicContact CB-CB 4.22Å; A97-M101 HydrophobicContact CB-CE 4.39Å; A97-M101 HydrophobicContact CB-CG 4.1Å; A97-M101 HydrophobicContact CB-SD 3.42Å; A97-M101 WeakPolarHBondContact CB-SD 3.43Å
98	S	97.2	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.			trans	-80.7	172.3	174	69.7	0	0	0	0	112.5	D23 Q100 M101 V102	D23-S98 WeakPolarHBondContact OD1-CB 3.38Å; D23-S98 PolarHBondContact OD1-OG 3.12Å; S98-Q100 PolarHBondContact O-N 2.87Å; S98-Q100 PolarHBondContact OG-N 2.6Å; S98-M101 PolarHBondContact O-N 3.49Å; S98-M101 PolarHBondContact OG-N 3.39Å; S98-V102 PolarHBondContact O-N 3.35Å; S98-V102 VanDerWaalsContact O-N 3.14Å
99	K	96.6	Very high	96.9	Very high	123 Å²	123	42.2 Å²	42.2	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-36.9	170.4	-59.9	169.5	-167.2	148.3	0	110.7	E22 V93 V102 K103	E22-K99 IonicContact OE2-NZ 3.48Å; E22-K99 PolarHBondContact OE2-NZ 2.86Å; V93-K99 HydrophobicContact CG1-CG 4.48Å; V93-K99 HydrophobicContact CG2-CG 4.24Å; K99-V102 PolarHBondContact O-N 2.94Å; K99-K103 WeakPolarHBondContact O-CB 3.47Å; K99-K103 PolarHBondContact O-N 2.86Å
100	Q	97.5	Very high	96.9	Very high	36 Å²	36	45.4 Å²	45.4	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-40.7	-179.4	-63.1	81.3	-22.7	0	0	110.5	D19 D23 Y29 S98 K103 F104	D19-Q100 PolarHBondContact O-NE2 2.9Å; D23-Q100 HydrophobicContact CB-CB 4.34Å; D23-Q100 HydrophobicContact CB-CG 4.09Å; Y29-Q100 VanDerWaalsContact OH-CB 3.26Å; Y29-Q100 WeakPolarHBondContact OH-CB 3.37Å; S98-Q100 PolarHBondContact O-N 2.87Å; S98-Q100 PolarHBondContact OG-N 2.6Å; Q100-K103 PolarHBondContact O-N 3.28Å; Q100-F104 WeakPolarHBondContact O-CB 3.38Å; Q100-F104 PolarHBondContact O-N 3.12Å
101	M	98.1	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-43.3	172	-173.2	173.9	177.8	0	0	112.7	A25 R28 Y29 V91 A97 S98 F104 A105 V139 I142	A25-M101 HydrophobicContact CB-CB 4.32Å; A25-M101 HydrophobicContact CB-SD 4.12Å; R28-M101 HydrophobicContact CB-CE 4.4Å; R28-M101 HydrophobicContact CB-SD 4.26Å; Y29-M101 HydrophobicContact CD1-CB 3.44Å; Y29-M101 VanDerWaalsContact CD1-CB 3.44Å; Y29-M101 HydrophobicContact CD1-CG 3.49Å; Y29-M101 VanDerWaalsContact CD1-CG 3.49Å; Y29-M101 HydrophobicContact CD1-SD 4.14Å; Y29-M101 HydrophobicContact CE1-CB 3.6Å; Y29-M101 HydrophobicContact CE1-CG 4.2Å; Y29-M101 HydrophobicContact CG-CB 4.18Å; Y29-M101 HydrophobicContact CG-CG 3.89Å; V91-M101 HydrophobicContact CG1-CE 4.45Å; V91-M101 HydrophobicContact CG1-CG 4.18Å; A97-M101 HydrophobicContact CB-CB 4.22Å; A97-M101 HydrophobicContact CB-CE 4.39Å; A97-M101 HydrophobicContact CB-CG 4.1Å; A97-M101 HydrophobicContact CB-SD 3.42Å; A97-M101 WeakPolarHBondContact CB-SD 3.43Å; S98-M101 PolarHBondContact O-N 3.49Å; S98-M101 PolarHBondContact OG-N 3.39Å; M101-F104 PolarHBondContact O-N 2.98Å; M101-A105 WeakPolarHBondContact O-CB 3.3Å; M101-A105 PolarHBondContact O-N 3.06Å; M101-V139 HydrophobicContact CE-CG1 4.15Å; M101-I142 HydrophobicContact CE-CG2 3.85Å
102	V	98.1	Very high	96.9	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-41.8	175.2	171.7	0	0	0	0	111.3	C76 V91 V93 S98 K99 A105 A106	C76-V102 HydrophobicContact CB-CG1 3.94Å; V91-V102 HydrophobicContact CB-CG2 4.37Å; V91-V102 HydrophobicContact CG1-CG2 3.81Å; V93-V102 HydrophobicContact CG2-CB 4.44Å; V93-V102 HydrophobicContact CG2-CG2 3.8Å; S98-V102 PolarHBondContact O-N 3.35Å; S98-V102 VanDerWaalsContact O-N 3.14Å; K99-V102 PolarHBondContact O-N 2.94Å; V102-A105 PolarHBondContact O-N 2.86Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 2.92Å; V102-A106 VanDerWaalsContact O-N 3.07Å
103	K	97.9	Very high	97	Very high	143 Å²	143	45.3 Å²	45.3	62%	0.622	23%	0.233	S	C	*	.	H	α-helix	trans	-64.7	-40.6	174.7	-175.5	-177.9	179	-175.9	0	112.1	K99 Q100 A106 N107	K99-K103 WeakPolarHBondContact O-CB 3.47Å; K99-K103 PolarHBondContact O-N 2.86Å; Q100-K103 PolarHBondContact O-N 3.28Å; K103-A106 PolarHBondContact O-N 3.49Å; K103-N107 WeakPolarHBondContact O-CB 3.2Å; K103-N107 VanDerWaalsContact O-CG 3.24Å; K103-N107 PolarHBondContact O-N 2.81Å; K103-N107 PolarHBondContact O-ND2 2.96Å
104	F	98.4	Very high	97.1	Very high	41 Å²	41	43 Å²	43	18%	0.18	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-52.4	174.4	172	-99.7	0	0	0	111	Y29 G30 I31 Q100 M101 A106 N107 I108 I142 V144	Y29-F104 HydrophobicContact CD2-CB 3.6Å; Y29-F104 AromaticContact CD2-CD1 3.39Å; Y29-F104 HydrophobicContact CD2-CD1 3.39Å; Y29-F104 AromaticContact CD2-CD2 3.87Å; Y29-F104 HydrophobicContact CD2-CD2 3.87Å; Y29-F104 AromaticContact CD2-CE1 3.99Å; Y29-F104 HydrophobicContact CD2-CE1 3.99Å; Y29-F104 HydrophobicContact CD2-CE2 4.41Å; Y29-F104 AromaticContact CD2-CG 3.32Å; Y29-F104 HydrophobicContact CD2-CG 3.32Å; Y29-F104 HydrophobicContact CD2-CZ 4.46Å; Y29-F104 HydrophobicContact CE2-CB 3.57Å; Y29-F104 HydrophobicContact CE2-CD1 4.24Å; Y29-F104 HydrophobicContact CE2-CD2 4.08Å; Y29-F104 AromaticContact CE2-CG 3.7Å; Y29-F104 HydrophobicContact CE2-CG 3.7Å; Y29-F104 HydrophobicContact CG-CB 4.46Å; Y29-F104 AromaticContact CG-CD1 3.97Å; Y29-F104 HydrophobicContact CG-CD1 3.97Å; Y29-F104 HydrophobicContact CG-CG 4.27Å; G30-F104 VanDerWaalsContact C-CZ 3.44Å; G30-F104 WeakPolarHBondContact O-CZ 3.48Å; I31-F104 HydrophobicContact CG1-CE2 4.5Å; Q100-F104 WeakPolarHBondContact O-CB 3.38Å; Q100-F104 PolarHBondContact O-N 3.12Å; M101-F104 PolarHBondContact O-N 2.98Å; F104-A106 VanDerWaalsContact C-N 3.27Å; F104-A106 PolarHBondContact O-N 2.95Å; F104-N107 CarbonylContact O-C 3.55Å; F104-N107 WeakPolarHBondContact O-CA 3.31Å; F104-N107 PolarHBondContact O-N 3.27Å; F104-I108 HydrophobicContact CD1-CD1 4.33Å; F104-I108 HydrophobicContact CD1-CG1 4.48Å; F104-I108 HydrophobicContact CE1-CD1 3.88Å; F104-I108 HydrophobicContact CE1-CG1 4.16Å; F104-I108 HydrophobicContact CZ-CD1 4.44Å; F104-I108 HydrophobicContact CZ-CG1 4.36Å; F104-I108 WeakPolarHBondContact O-CG1 3.46Å; F104-I108 PolarHBondContact O-N 3.33Å; F104-I142 HydrophobicContact CD1-CG2 4.41Å; F104-I142 HydrophobicContact CE1-CG2 4.43Å; F104-V144 HydrophobicContact CE1-CG2 4.34Å; F104-V144 HydrophobicContact CZ-CG2 3.82Å
105	A	98.4	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-36.2	-179.6	0	0	0	0	0	113.1	C76 L78 V91 M101 V102 N107	C76-A105 HydrophobicContact CB-CB 4.49Å; L78-A105 HydrophobicContact CD1-CB 4.31Å; V91-A105 HydrophobicContact CB-CB 4.43Å; V91-A105 HydrophobicContact CG2-CB 3.81Å; M101-A105 WeakPolarHBondContact O-CB 3.3Å; M101-A105 PolarHBondContact O-N 3.06Å; V102-A105 PolarHBondContact O-N 2.86Å; A105-N107 VanDerWaalsContact C-N 3.32Å
106	A	97.6	Very high	97.7	Very high	24 Å²	24	34.9 Å²	34.9	20%	0.198	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-33	173.5	0	0	0	0	0	113.4	S69 A71 V102 K103 F104	S69-A106 PolarHBondContact OG-O 3.31Å; A71-A106 HydrophobicContact CB-CB 3.79Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 2.92Å; V102-A106 VanDerWaalsContact O-N 3.07Å; K103-A106 PolarHBondContact O-N 3.49Å; F104-A106 VanDerWaalsContact C-N 3.27Å; F104-A106 PolarHBondContact O-N 2.95Å
107	N	97.9	Very high	98.1	Very high	110 Å²	110	32.5 Å²	32.5	59%	0.588	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	4	-178	-69	-8.8	0	0	0	113.7	K103 F104 A105 N109	K103-N107 WeakPolarHBondContact O-CB 3.2Å; K103-N107 VanDerWaalsContact O-CG 3.24Å; K103-N107 PolarHBondContact O-N 2.81Å; K103-N107 PolarHBondContact O-ND2 2.96Å; F104-N107 CarbonylContact O-C 3.55Å; F104-N107 WeakPolarHBondContact O-CA 3.31Å; F104-N107 PolarHBondContact O-N 3.27Å; A105-N107 VanDerWaalsContact C-N 3.32Å; N107-N109 PolarHBondContact O-N 3.32Å
108	I	98.6	Very high	98.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	16%	0.157	C	C	.	.	S	Bend	trans	-68.7	119.8	171.9	-60.3	175.3	0	0	0	108.3	V66 F104 V114 I142 V144	V66-I108 HydrophobicContact CB-CG2 4.31Å; V66-I108 HydrophobicContact CG2-CG2 3.85Å; F104-I108 HydrophobicContact CD1-CD1 4.33Å; F104-I108 HydrophobicContact CD1-CG1 4.48Å; F104-I108 HydrophobicContact CE1-CD1 3.88Å; F104-I108 HydrophobicContact CE1-CG1 4.16Å; F104-I108 HydrophobicContact CZ-CD1 4.44Å; F104-I108 HydrophobicContact CZ-CG1 4.36Å; F104-I108 WeakPolarHBondContact O-CG1 3.46Å; F104-I108 PolarHBondContact O-N 3.33Å; I108-V114 HydrophobicContact CD1-CG1 4.07Å; I108-V114 HydrophobicContact CG2-CG1 4.38Å; I108-I142 HydrophobicContact CD1-CD1 3.66Å; I108-I142 HydrophobicContact CD1-CG1 4.05Å; I108-V144 HydrophobicContact CD1-CG2 3.84Å; I108-V144 HydrophobicContact CG1-CG2 3.92Å; I108-V144 HydrophobicContact CG2-CG2 3.99Å
109	N	98.3	Very high	98.3	Very high	46 Å²	46	33.4 Å²	33.4	25%	0.246	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-58	140.3	177.4	-66	-22.6	0	0	0	110.8	N107 S112 A148	N107-N109 PolarHBondContact O-N 3.32Å; N109-S112 VanDerWaalsContact O-CB 3.26Å; N109-S112 WeakPolarHBondContact O-CB 3.2Å; N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 2.92Å; N109-A148 WeakPolarHBondContact CB-O 3.26Å; N109-A148 PolarHBondContact ND2-O 3.18Å
110	K	97.9	Very high	98.4	Very high	67 Å²	67	27.6 Å²	27.6	29%	0.291	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	147.5	172.5	-70.8	-166.1	-179.2	-171.5	0	110.6	S112 A148 L152 D157	K110-S112 PolarHBondContact O-N 2.79Å; K110-S112 VanDerWaalsContact O-N 3.14Å; K110-A148 WeakPolarHBondContact O-CB 3.38Å; K110-L152 HydrophobicContact CB-CD1 4.05Å; K110-D157 IonicContact NZ-OD2 2.74Å; K110-D157 PolarHBondContact NZ-OD2 2.88Å
111	E	98.3	Very high	98.4	Very high	6 Å²	6	31 Å²	31	3%	0.028	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-0.2	-178.6	-70.1	-70	101.3	0	0	116.9	R65 V66 R81 A148 L152 L156 R188	R65-E111 WeakPolarHBondContact CD-OE2 3.34Å; R65-E111 IonicContact NE-OE2 3.71Å; V66-E111 PolarHBondContact O-N 2.77Å; R81-E111 IonicContact CZ-OE1 3.79Å; R81-E111 IonicContact NE-OE1 3.34Å; R81-E111 VanDerWaalsContact NH2-CD 3.28Å; R81-E111 IonicContact NH2-OE1 3.71Å; R81-E111 PolarHBondContact NH2-OE1 3.27Å; R81-E111 IonicContact NH2-OE2 2.67Å; R81-E111 PolarHBondContact NH2-OE2 3.39Å; R81-E111 VanDerWaalsContact NH2-OE2 3.14Å; E111-A148 HydrophobicContact CB-CB 4.49Å; E111-L152 HydrophobicContact CB-CD1 4.33Å; E111-L152 HydrophobicContact CB-CD2 4.21Å; E111-L152 HydrophobicContact CG-CD1 3.81Å; E111-L152 HydrophobicContact CG-CD2 4.38Å; E111-L156 VanDerWaalsContact CD-CD1 3.41Å; E111-L156 HydrophobicContact CG-CD1 3.97Å; E111-L156 VanDerWaalsContact OE1-CD1 3.26Å; E111-L156 WeakPolarHBondContact OE1-CD1 3.45Å; E111-R188 WeakPolarHBondContact OE2-CD 3.44Å; E111-R188 IonicContact OE2-CZ 3.49Å; E111-R188 IonicContact OE2-NE 3.59Å; E111-R188 IonicContact OE2-NH1 3.41Å; E111-R188 PolarHBondContact OE2-NH1 3.42Å
112	S	98.8	Very high	98.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	18%	0.177	C	C	.	.			trans	-59.2	140.7	167.4	-56.5	0	0	0	0	110.5	R65 V66 N109 K110 S146 A148	R65-S112 WeakPolarHBondContact CA-O 3.45Å; V66-S112 PolarHBondContact N-O 2.78Å; N109-S112 VanDerWaalsContact O-CB 3.26Å; N109-S112 WeakPolarHBondContact O-CB 3.2Å; N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 2.92Å; K110-S112 PolarHBondContact O-N 2.79Å; K110-S112 VanDerWaalsContact O-N 3.14Å; S112-S146 CarbonylContact C-O 3.6Å; S112-S146 WeakPolarHBondContact CA-O 3.44Å; S112-A148 PolarHBondContact OG-N 3.07Å
113	I	98.9	Very high	98.4	Very high	41 Å²	41	38 Å²	38	21%	0.21	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.2	175	-54	162.8	0	0	0	108.6	R63 A64 R65 I145 S146	R63-I113 HydrophobicContact CG-CG2 3.84Å; A64-I113 WeakPolarHBondContact O-CA 3.26Å; R65-I113 HydrophobicContact CG-CG1 3.87Å; I113-I145 HydrophobicContact CB-CD1 4.02Å; I113-I145 HydrophobicContact CB-CG1 4.01Å; I113-I145 HydrophobicContact CG2-CD1 3.7Å; I113-I145 HydrophobicContact CG2-CG1 3.69Å; I113-I145 PolarHBondContact O-N 3.03Å; I113-S146 PolarHBondContact N-O 3.5Å; I113-S146 PolarHBondContact O-N 3.37Å
114	V	98.9	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.3	-178.4	-70.4	0	0	0	0	111.5	R63 A64 V66 L80 I108 V116 I142 Y143 V144	R63-V114 WeakPolarHBondContact CA-O 3.13Å; A64-V114 PolarHBondContact N-O 3.36Å; A64-V114 WeakPolarHBondContact O-CG2 3.45Å; A64-V114 PolarHBondContact O-N 2.78Å; V66-V114 HydrophobicContact CG2-CG1 3.9Å; V66-V114 HydrophobicContact CG2-CG2 3.81Å; L80-V114 HydrophobicContact CD2-CG2 3.89Å; I108-V114 HydrophobicContact CD1-CG1 4.07Å; I108-V114 HydrophobicContact CG2-CG1 4.38Å; V114-V116 HydrophobicContact CB-CG2 4.09Å; V114-V116 HydrophobicContact CG2-CG2 3.68Å; V114-I142 HydrophobicContact CB-CD1 4.42Å; V114-I142 HydrophobicContact CB-CG1 4.16Å; V114-I142 HydrophobicContact CG1-CD1 4.24Å; V114-I142 HydrophobicContact CG1-CG1 4.11Å; V114-Y143 CarbonylContact C-O 3.57Å; V114-Y143 WeakPolarHBondContact CA-O 3.43Å; V114-V144 HydrophobicContact CG1-CG2 3.89Å
115	D	98.8	Very high	98.2	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125	158.9	-82.1	7.7	0	0	0	108.4	R43 W61 V62 R63 I142 Y143 I145	R43-D115 IonicContact NH1-OD2 3.79Å; R43-D115 PolarHBondContact NH1-OD2 2.87Å; W61-D115 HydrophobicContact CE3-CB 4.2Å; W61-D115 HydrophobicContact CZ3-CB 3.96Å; V62-D115 WeakPolarHBondContact O-CA 3.42Å; R63-D115 WeakPolarHBondContact CB-OD1 3.34Å; R63-D115 WeakPolarHBondContact CG-OD1 3.32Å; R63-D115 IonicContact CZ-OD1 3.72Å; R63-D115 IonicContact CZ-OD2 3.1Å; R63-D115 IonicContact NE-OD1 2.7Å; R63-D115 PolarHBondContact NE-OD1 3.48Å; R63-D115 IonicContact NE-OD2 3Å; R63-D115 VanDerWaalsContact NH2-CG 3.34Å; R63-D115 IonicContact NH2-OD1 2.67Å; R63-D115 PolarHBondContact NH2-OD1 3.24Å; R63-D115 VanDerWaalsContact NH2-OD1 3.16Å; R63-D115 IonicContact NH2-OD2 3.39Å; R63-D115 PolarHBondContact NH2-OD2 3.01Å; D115-I142 WeakPolarHBondContact O-CA 3.35Å; D115-Y143 PolarHBondContact N-O 3.16Å; D115-Y143 PolarHBondContact O-N 2.73Å; D115-I145 HydrophobicContact CB-CG2 3.98Å
116	V	98.8	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.2	-176.1	-173.8	0	0	0	0	109.2	W61 V62 L80 V114 L137 V139 K141 I142	W61-V116 CarbonylContact C-O 3.6Å; W61-V116 WeakPolarHBondContact CA-O 3.02Å; V62-V116 PolarHBondContact N-O 3.16Å; V62-V116 PolarHBondContact O-N 2.88Å; L80-V116 HydrophobicContact CD1-CB 4.2Å; L80-V116 HydrophobicContact CD1-CG1 4.24Å; L80-V116 HydrophobicContact CD1-CG2 3.81Å; L80-V116 HydrophobicContact CD2-CG2 4.36Å; V114-V116 HydrophobicContact CB-CG2 4.09Å; V114-V116 HydrophobicContact CG2-CG2 3.68Å; V116-L137 HydrophobicContact CB-CD2 4.37Å; V116-L137 HydrophobicContact CG1-CD2 3.75Å; V116-V139 HydrophobicContact CG1-CB 4.4Å; V116-V139 HydrophobicContact CG1-CG1 3.93Å; V116-V139 HydrophobicContact CG1-CG2 3.82Å; V116-K141 WeakPolarHBondContact CA-O 3.42Å; V116-I142 HydrophobicContact CG2-CD1 4.13Å; V116-I142 HydrophobicContact CG2-CG1 4.09Å
117	E	98.8	Very high	98.1	Very high	25 Å²	25	51.4 Å²	51.4	12%	0.117	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132	164.5	-168.2	-178	-107.2	0	0	107.7	V59 V60 W61 Q140 K141	V59-E117 HydrophobicContact CG1-CG 4.02Å; V60-E117 WeakPolarHBondContact O-CA 3.21Å; W61-E117 HydrophobicContact CD2-CB 3.8Å; W61-E117 HydrophobicContact CD2-CG 4.15Å; W61-E117 HydrophobicContact CE3-CB 4.08Å; W61-E117 HydrophobicContact CG-CB 4.4Å; W61-E117 HydrophobicContact CG-CG 4.39Å; W61-E117 HydrophobicContact CH2-CB 4.07Å; W61-E117 HydrophobicContact CZ2-CB 3.75Å; W61-E117 HydrophobicContact CZ2-CG 4.04Å; W61-E117 VanDerWaalsContact CZ2-OE1 3.26Å; W61-E117 WeakPolarHBondContact CZ2-OE1 3.41Å; W61-E117 HydrophobicContact CZ3-CB 4.2Å; W61-E117 PolarHBondContact NE1-OE1 2.83Å; E117-Q140 PolarHBondContact O-N 2.67Å; E117-K141 HydrophobicContact CB-CB 3.88Å; E117-K141 HydrophobicContact CB-CD 4.34Å; E117-K141 HydrophobicContact CB-CG 4.2Å; E117-K141 PolarHBondContact N-O 2.81Å; E117-K141 PolarHBondContact O-N 2.86Å; E117-K141 IonicContact OE1-NZ 2.74Å; E117-K141 PolarHBondContact OE1-NZ 2.95Å; E117-K141 WeakPolarHBondContact OE2-CD 3.39Å; E117-K141 WeakPolarHBondContact OE2-CE 3.48Å; E117-K141 WeakPolarHBondContact OE2-CG 3.5Å; E117-K141 IonicContact OE2-NZ 2.69Å; E117-K141 PolarHBondContact OE2-NZ 3.28Å
118	G	98.4	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	167.8	177.9	0	0	0	0	0	113.7	V59 V60 H138	V59-G118 WeakPolarHBondContact CA-O 3.41Å; V60-G118 PolarHBondContact N-O 2.67Å; V60-G118 PolarHBondContact O-N 2.94Å; G118-H138 CarbonylContact C-O 3.46Å; G118-H138 WeakPolarHBondContact CA-O 3.33Å
119	V	98.7	Very high	97.6	Very high	18 Å²	18	53 Å²	53	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.4	176.3	-177.3	0	0	0	0	109.1	E58 V59 R121 H138	E58-V119 WeakPolarHBondContact O-CA 3.32Å; V59-V119 HydrophobicContact CG2-CG2 3.94Å; V119-R121 HydrophobicContact CG1-CG 4.09Å; V119-R121 PolarHBondContact O-N 3.32Å; V119-H138 PolarHBondContact N-O 2.84Å; V119-H138 PolarHBondContact O-N 2.93Å
120	V	98.7	Very high	97.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.5	171.4	-177.6	0	0	0	0	108.4	L51 K55 D57 E58 V60 V135 L137	L51-V120 HydrophobicContact CD2-CG2 3.88Å; K55-V120 WeakPolarHBondContact O-CB 3.29Å; D57-V120 WeakPolarHBondContact CA-O 3.39Å; D57-V120 PolarHBondContact N-O 3.49Å; E58-V120 PolarHBondContact O-N 3.31Å; V60-V120 HydrophobicContact CG1-CG2 4.2Å; V60-V120 HydrophobicContact CG2-CG2 3.66Å; V120-V135 HydrophobicContact CG1-CB 3.73Å; V120-V135 HydrophobicContact CG1-CG1 3.85Å; V120-V135 HydrophobicContact CG1-CG2 3.95Å; V120-L137 HydrophobicContact CG2-CD1 4.19Å
121	R	98.3	Very high	97.4	Very high	106 Å²	106	50.9 Å²	50.9	40%	0.4	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.2	177.8	-68.3	-168.4	175.8	169.3	-8.8	111.5	V119 V135 E136 H138	V119-R121 HydrophobicContact CG1-CG 4.09Å; V119-R121 PolarHBondContact O-N 3.32Å; R121-V135 CarbonylContact O-C 3.52Å; R121-V135 WeakPolarHBondContact O-CA 3.28Å; R121-V135 WeakPolarHBondContact O-CB 3.19Å; R121-E136 PolarHBondContact N-O 3.13Å; R121-E136 PolarHBondContact O-N 3.04Å; R121-H138 PolarHBondContact NH1-CE1 2.95Å; R121-H138 PolarHBondContact NH1-ND1 3.01Å
122	K	98.2	Very high	97.4	Very high	135 Å²	135	51.7 Å²	51.7	59%	0.587	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	136.4	170.9	-177.7	-176.3	-176	69.7	0	110.1	I53	I53-K122 HydrophobicContact CD1-CB 3.76Å; I53-K122 HydrophobicContact CD1-CD 3.94Å; I53-K122 HydrophobicContact CD1-CG 3.64Å
123	V	97.6	Very high	97.3	Very high	22 Å²	22	54.8 Å²	54.8	13%	0.133	29%	0.288	C	S	.	.			trans	-96.6	149.1	171.4	-64.3	0	0	0	0	112	Q125 I127 Q133 D134 E136	V123-Q125 WeakPolarHBondContact CG2-O 3.31Å; V123-I127 HydrophobicContact CG1-CD1 3.99Å; V123-I127 HydrophobicContact CG1-CG1 4.45Å; V123-I127 HydrophobicContact CG2-CG1 4.37Å; V123-Q133 VanDerWaalsContact CG2-O 3.29Å; V123-Q133 WeakPolarHBondContact CG2-O 3.4Å; V123-D134 PolarHBondContact N-O 2.87Å; V123-E136 HydrophobicContact CG1-CB 3.93Å; V123-E136 HydrophobicContact CG1-CG 3.64Å
124	N	96.3	Very high	97.3	Very high	169 Å²	169	56.1 Å²	56.1	90%	0.904	30%	0.296	S	S	*	.	S	Bend	trans	-78.7	-23.7	177.3	-65.9	-31.6	0	0	0	113
125	Q	96.4	Very high	97.3	Very high	169 Å²	169	56.2 Å²	56.2	79%	0.79	30%	0.297	S	S	*	.	S	Bend	trans	-132.7	137.3	177.5	-67.9	-178.3	-11.2	0	0	108.4	V123 I127	V123-Q125 WeakPolarHBondContact CG2-O 3.31Å; Q125-I127 PolarHBondContact O-N 3.11Å
126	K	96.8	Very high	97.3	Very high	133 Å²	133	57.4 Å²	57.4	58%	0.578	30%	0.302	S	S	*	.			trans	-63.7	134	-177.8	-75.6	-172	179.9	-100.5	0	111.6	G128 Q133 D134	K126-G128 PolarHBondContact O-N 3.03Å; K126-G128 VanDerWaalsContact O-N 3.07Å; K126-Q133 WeakPolarHBondContact CA-O 3.4Å; K126-Q133 HydrophobicContact CB-CB 4.18Å; K126-Q133 HydrophobicContact CD-CB 4.44Å; K126-Q133 HydrophobicContact CG-CB 4.33Å; K126-D134 VanDerWaalsContact CE-OD1 3.31Å; K126-D134 WeakPolarHBondContact CE-OD1 3.4Å; K126-D134 IonicContact NZ-OD1 2.93Å; K126-D134 PolarHBondContact NZ-OD1 2.99Å; K126-D134 IonicContact NZ-OD2 3.47Å; K126-D134 PolarHBondContact NZ-OD2 3.35Å
127	I	96.4	Very high	97.3	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.092	30%	0.302	C	S	.	.			trans	-83.2	84.9	177.4	-56.1	175.7	0	0	0	109	Q88 V123 Q125 S129 C130 Q133 E136	Q88-I127 HydrophobicContact CB-CD1 3.59Å; Q88-I127 HydrophobicContact CB-CG2 4.37Å; Q88-I127 HydrophobicContact CG-CD1 4.17Å; V123-I127 HydrophobicContact CG1-CD1 3.99Å; V123-I127 HydrophobicContact CG1-CG1 4.45Å; V123-I127 HydrophobicContact CG2-CG1 4.37Å; Q125-I127 PolarHBondContact O-N 3.11Å; I127-S129 PolarHBondContact O-N 3.39Å; I127-C130 HydrophobicContact CB-CB 4.47Å; I127-C130 HydrophobicContact CG2-CB 4.04Å; I127-C130 PolarHBondContact O-N 2.83Å; I127-Q133 PolarHBondContact N-O 3.12Å; I127-Q133 WeakPolarHBondContact O-CG 3.39Å; I127-E136 HydrophobicContact CD1-CB 3.99Å
128	G	93.3	Very high	97.2	Very high	62 Å²	62	58.3 Å²	58.3	64%	0.639	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.7	-174.3	0	0	0	0	0	115.9	K126 C130	K126-G128 PolarHBondContact O-N 3.03Å; K126-G128 VanDerWaalsContact O-N 3.07Å; G128-C130 VanDerWaalsContact C-N 3.33Å
129	S	92.7	Very high	97.3	Very high	87 Å²	87	58.7 Å²	58.7	61%	0.608	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.9	175.1	56.7	0	0	0	0	114.7	I127	I127-S129 PolarHBondContact O-N 3.39Å
130	C	96.6	Very high	97.3	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.047	31%	0.31	C	S	.	.	S	Bend	trans	-116.3	159.5	-178.4	-68.5	0	0	0	0	112.4	N86 I127 G128 Q133	N86-C130 WeakPolarHBondContact OD1-CA 3.4Å; I127-C130 HydrophobicContact CB-CB 4.47Å; I127-C130 HydrophobicContact CG2-CB 4.04Å; I127-C130 PolarHBondContact O-N 2.83Å; G128-C130 VanDerWaalsContact C-N 3.33Å; C130-Q133 WeakPolarHBondContact O-CG 3.46Å; C130-Q133 PolarHBondContact O-NE2 2.84Å
131	T	96.2	Very high	97.3	Very high	63 Å²	63	61.8 Å²	61.8	39%	0.387	32%	0.321	S	S	.	.	S	Bend	trans	-76.6	-40	167.7	64.9	0	0	0	0	110.4	F85 N86 Q133	F85-T131 WeakPolarHBondContact CA-OG1 3.46Å; F85-T131 HydrophobicContact CD1-CG2 4.49Å; N86-T131 PolarHBondContact N-OG1 2.76Å; N86-T131 PolarHBondContact O-N 3.04Å; N86-T131 PolarHBondContact O-OG1 2.67Å; N86-T131 VanDerWaalsContact O-OG1 3.12Å; N86-T131 PolarHBondContact OD1-N 2.84Å; T131-Q133 PolarHBondContact O-N 3.39Å
132	Q	97.8	Very high	97.3	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.103	30%	0.302	C	S	.	.			trans	-83.8	88.6	171.2	-49	-42.9	109.4	0	0	108.8	V48 R49 L51 N86 V87 V135	V48-Q132 HydrophobicContact CG1-CG 4.13Å; V48-Q132 VanDerWaalsContact O-CG 3.3Å; V48-Q132 WeakPolarHBondContact O-CG 3.18Å; R49-Q132 PolarHBondContact O-NE2 2.88Å; L51-Q132 HydrophobicContact CB-CG 4.42Å; L51-Q132 PolarHBondContact O-NE2 2.94Å; N86-Q132 PolarHBondContact O-N 3.15Å; V87-Q132 HydrophobicContact CB-CB 3.97Å; V87-Q132 HydrophobicContact CB-CG 4.02Å; V87-Q132 HydrophobicContact CG2-CB 3.87Å; V87-Q132 HydrophobicContact CG2-CG 4.33Å; Q132-V135 HydrophobicContact CB-CG2 4.49Å
133	Q	97.8	Very high	97.3	Very high	66 Å²	66	52.8 Å²	52.8	31%	0.308	28%	0.283	S	S	.	.			trans	-88	-25.4	-172	-61.7	-167.7	-10.1	0	0	114.5	V123 K126 I127 C130 T131	V123-Q133 VanDerWaalsContact CG2-O 3.29Å; V123-Q133 WeakPolarHBondContact CG2-O 3.4Å; K126-Q133 WeakPolarHBondContact CA-O 3.4Å; K126-Q133 HydrophobicContact CB-CB 4.18Å; K126-Q133 HydrophobicContact CD-CB 4.44Å; K126-Q133 HydrophobicContact CG-CB 4.33Å; I127-Q133 PolarHBondContact N-O 3.12Å; I127-Q133 WeakPolarHBondContact O-CG 3.39Å; C130-Q133 WeakPolarHBondContact O-CG 3.46Å; C130-Q133 PolarHBondContact O-NE2 2.84Å; T131-Q133 PolarHBondContact O-N 3.39Å
134	D	98	Very high	97.4	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.374	28%	0.278	S	S	.	.	S	Bend	trans	-92.6	-6	-169.4	-60	-51.9	0	0	0	113.9	V123 K126	V123-D134 PolarHBondContact N-O 2.87Å; K126-D134 VanDerWaalsContact CE-OD1 3.31Å; K126-D134 WeakPolarHBondContact CE-OD1 3.4Å; K126-D134 IonicContact NZ-OD1 2.93Å; K126-D134 PolarHBondContact NZ-OD1 2.99Å; K126-D134 IonicContact NZ-OD2 3.47Å; K126-D134 PolarHBondContact NZ-OD2 3.35Å
135	V	98.5	Very high	97.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.9	-179.5	-63.2	0	0	0	0	112.1	L51 I53 V120 R121 Q132	L51-V135 WeakPolarHBondContact O-CG2 3.4Å; I53-V135 HydrophobicContact CD1-CG1 4.17Å; V120-V135 HydrophobicContact CG1-CB 3.73Å; V120-V135 HydrophobicContact CG1-CG1 3.85Å; V120-V135 HydrophobicContact CG1-CG2 3.95Å; R121-V135 CarbonylContact O-C 3.52Å; R121-V135 WeakPolarHBondContact O-CA 3.28Å; R121-V135 WeakPolarHBondContact O-CB 3.19Å; Q132-V135 HydrophobicContact CB-CG2 4.49Å
136	E	98.4	Very high	97.6	Very high	29 Å²	29	40.2 Å²	40.2	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.5	165.5	67.4	174.4	-176.7	0	0	111	Q88 R121 V123 I127 H138	Q88-E136 HydrophobicContact CB-CB 4.23Å; Q88-E136 HydrophobicContact CG-CB 4.49Å; Q88-E136 PolarHBondContact NE2-OE2 2.96Å; Q88-E136 CarbonylContact O-C 3.57Å; Q88-E136 WeakPolarHBondContact O-CA 3.21Å; R121-E136 PolarHBondContact N-O 3.13Å; R121-E136 PolarHBondContact O-N 3.04Å; V123-E136 HydrophobicContact CG1-CB 3.93Å; V123-E136 HydrophobicContact CG1-CG 3.64Å; I127-E136 HydrophobicContact CD1-CB 3.99Å; E136-H138 IonicContact OE1-CD2 2.59Å; E136-H138 IonicContact OE1-CE1 3.57Å; E136-H138 IonicContact OE1-NE2 2.87Å; E136-H138 PolarHBondContact OE1-NE2 3.26Å
137	L	98.6	Very high	97.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.8	-178.4	-172.7	67.6	0	0	0	111.3	V60 V62 L80 Q88 A89 L90 V116 V120 V139	V60-L137 HydrophobicContact CG2-CD1 3.75Å; V62-L137 HydrophobicContact CG2-CD2 4.27Å; L80-L137 HydrophobicContact CD1-CD2 4.01Å; Q88-L137 PolarHBondContact O-N 2.78Å; A89-L137 CarbonylContact C-O 3.5Å; A89-L137 VanDerWaalsContact CA-O 3.24Å; A89-L137 WeakPolarHBondContact CA-O 3.43Å; A89-L137 HydrophobicContact CB-CB 4.13Å; L90-L137 PolarHBondContact N-O 2.84Å; V116-L137 HydrophobicContact CB-CD2 4.37Å; V116-L137 HydrophobicContact CG1-CD2 3.75Å; V120-L137 HydrophobicContact CG2-CD1 4.19Å; L137-V139 PolarHBondContact O-N 3.19Å
138	H	98.6	Very high	97.8	Very high	43 Å²	43	38.3 Å²	38.3	20%	0.199	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	106.1	174.8	-80.6	-133.8	0	0	0	109.3	G118 V119 R121 E136	G118-H138 CarbonylContact C-O 3.46Å; G118-H138 WeakPolarHBondContact CA-O 3.33Å; V119-H138 PolarHBondContact N-O 2.84Å; V119-H138 PolarHBondContact O-N 2.93Å; R121-H138 PolarHBondContact NH1-CE1 2.95Å; R121-H138 PolarHBondContact NH1-ND1 3.01Å; E136-H138 IonicContact OE1-CD2 2.59Å; E136-H138 IonicContact OE1-CE1 3.57Å; E136-H138 IonicContact OE1-NE2 2.87Å; E136-H138 PolarHBondContact OE1-NE2 3.26Å
139	V	98.8	Very high	97.9	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.8	-168.1	179.1	0	0	0	0	111.7	A89 L90 V91 M101 V116 L137 K141 I142	A89-V139 HydrophobicContact CB-CG2 3.86Å; L90-V139 PolarHBondContact O-N 2.96Å; V91-V139 HydrophobicContact CG2-CB 3.88Å; V91-V139 HydrophobicContact CG2-CG1 4.07Å; V91-V139 HydrophobicContact CG2-CG2 3.99Å; M101-V139 HydrophobicContact CE-CG1 4.15Å; V116-V139 HydrophobicContact CG1-CB 4.4Å; V116-V139 HydrophobicContact CG1-CG1 3.93Å; V116-V139 HydrophobicContact CG1-CG2 3.82Å; L137-V139 PolarHBondContact O-N 3.19Å; V139-K141 WeakPolarHBondContact CG1-O 3.46Å; V139-I142 HydrophobicContact CG1-CB 4.15Å; V139-I142 HydrophobicContact CG1-CG2 4.42Å
140	Q	98.6	Very high	98	Very high	30 Å²	30	43 Å²	43	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-34.8	173	-66.5	-177.2	-35.8	0	0	112.5	H96 E117	H96-Q140 HydrophobicContact CB-CG 4.31Å; H96-Q140 PolarHBondContact CE1-NE2 3.04Å; H96-Q140 PolarHBondContact NE2-NE2 2.8Å; H96-Q140 VanDerWaalsContact NE2-NE2 3.12Å; E117-Q140 PolarHBondContact O-N 2.67Å
141	K	98.8	Very high	97.8	Very high	56 Å²	56	52.7 Å²	52.7	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.8	173.3	-54.1	176.7	-175	130.6	0	111.2	R28 W61 V116 E117 V139 Y143	R28-K141 HydrophobicContact CB-CB 4.43Å; R28-K141 HydrophobicContact CB-CG 3.96Å; R28-K141 HydrophobicContact CG-CG 4.11Å; R28-K141 CarbonylContact O-C 3.53Å; R28-K141 WeakPolarHBondContact O-CA 3.33Å; R28-K141 WeakPolarHBondContact O-CB 3.49Å; W61-K141 HydrophobicContact CH2-CD 4.24Å; W61-K141 HydrophobicContact CZ2-CD 4.18Å; V116-K141 WeakPolarHBondContact CA-O 3.42Å; E117-K141 HydrophobicContact CB-CB 3.88Å; E117-K141 HydrophobicContact CB-CD 4.34Å; E117-K141 HydrophobicContact CB-CG 4.2Å; E117-K141 PolarHBondContact N-O 2.81Å; E117-K141 PolarHBondContact O-N 2.86Å; E117-K141 IonicContact OE1-NZ 2.74Å; E117-K141 PolarHBondContact OE1-NZ 2.95Å; E117-K141 WeakPolarHBondContact OE2-CD 3.39Å; E117-K141 WeakPolarHBondContact OE2-CE 3.48Å; E117-K141 WeakPolarHBondContact OE2-CG 3.5Å; E117-K141 IonicContact OE2-NZ 2.69Å; E117-K141 PolarHBondContact OE2-NZ 3.28Å; V139-K141 WeakPolarHBondContact CG1-O 3.46Å; K141-Y143 HydrophobicContact CB-CD2 4.44Å; K141-Y143 HydrophobicContact CB-CE2 3.66Å; K141-Y143 HydrophobicContact CD-CE2 4.04Å; K141-Y143 HydrophobicContact CG-CE2 4.38Å
142	I	98.8	Very high	97.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	113.3	175.3	-176.2	163	0	0	0	112.2	R28 Y29 G30 L78 M101 F104 I108 V114 D115 V116 V139	R28-I142 PolarHBondContact O-N 3.03Å; Y29-I142 WeakPolarHBondContact CA-O 3.5Å; Y29-I142 WeakPolarHBondContact CB-O 3.47Å; G30-I142 PolarHBondContact N-O 3.42Å; L78-I142 HydrophobicContact CD2-CD1 4.09Å; M101-I142 HydrophobicContact CE-CG2 3.85Å; F104-I142 HydrophobicContact CD1-CG2 4.41Å; F104-I142 HydrophobicContact CE1-CG2 4.43Å; I108-I142 HydrophobicContact CD1-CD1 3.66Å; I108-I142 HydrophobicContact CD1-CG1 4.05Å; V114-I142 HydrophobicContact CB-CD1 4.42Å; V114-I142 HydrophobicContact CB-CG1 4.16Å; V114-I142 HydrophobicContact CG1-CD1 4.24Å; V114-I142 HydrophobicContact CG1-CG1 4.11Å; D115-I142 WeakPolarHBondContact O-CA 3.35Å; V116-I142 HydrophobicContact CG2-CD1 4.13Å; V116-I142 HydrophobicContact CG2-CG1 4.09Å; V139-I142 HydrophobicContact CG1-CB 4.15Å; V139-I142 HydrophobicContact CG1-CG2 4.42Å
143	Y	98.8	Very high	97.5	Very high	50 Å²	50	53.7 Å²	53.7	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.8	178.5	-52.9	-86.4	0	0	0	110.5	E27 G30 W61 V114 D115 K141 I145	E27-Y143 PolarHBondContact O-OH 3.02Å; G30-Y143 CarbonylContact O-C 3.58Å; G30-Y143 WeakPolarHBondContact O-CA 3.25Å; W61-Y143 HydrophobicContact CH2-CD2 4.17Å; W61-Y143 AromaticContact CH2-CE2 3.85Å; W61-Y143 HydrophobicContact CH2-CE2 3.85Å; W61-Y143 HydrophobicContact CZ3-CD2 4.2Å; W61-Y143 HydrophobicContact CZ3-CE2 4.33Å; V114-Y143 CarbonylContact C-O 3.57Å; V114-Y143 WeakPolarHBondContact CA-O 3.43Å; D115-Y143 PolarHBondContact N-O 3.16Å; D115-Y143 PolarHBondContact O-N 2.73Å; K141-Y143 HydrophobicContact CB-CD2 4.44Å; K141-Y143 HydrophobicContact CB-CE2 3.66Å; K141-Y143 HydrophobicContact CD-CE2 4.04Å; K141-Y143 HydrophobicContact CG-CE2 4.38Å; Y143-I145 PolarHBondContact O-N 2.86Å
144	V	98.9	Very high	97.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	109.7	171.9	177.2	0	0	0	0	108.1	G30 I31 S32 F104 I108 V114 L147	G30-V144 PolarHBondContact O-N 3.31Å; I31-V144 HydrophobicContact CG1-CB 4.31Å; S32-V144 PolarHBondContact N-O 3.13Å; S32-V144 PolarHBondContact OG-O 3.12Å; F104-V144 HydrophobicContact CE1-CG2 4.34Å; F104-V144 HydrophobicContact CZ-CG2 3.82Å; I108-V144 HydrophobicContact CD1-CG2 3.84Å; I108-V144 HydrophobicContact CG1-CG2 3.92Å; I108-V144 HydrophobicContact CG2-CG2 3.99Å; V114-V144 HydrophobicContact CG1-CG2 3.89Å; V144-L147 HydrophobicContact CG1-CB 3.77Å; V144-L147 HydrophobicContact CG1-CD1 4.17Å
145	I	98.4	Very high	97.1	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-19.4	178.9	71	101.2	0	0	0	112.4	S32 I35 I113 D115 Y143	S32-I145 WeakPolarHBondContact OG-CA 3.37Å; I35-I145 HydrophobicContact CD1-CB 4.24Å; I35-I145 HydrophobicContact CD1-CD1 4.33Å; I113-I145 HydrophobicContact CB-CD1 4.02Å; I113-I145 HydrophobicContact CB-CG1 4.01Å; I113-I145 HydrophobicContact CG2-CD1 3.7Å; I113-I145 HydrophobicContact CG2-CG1 3.69Å; I113-I145 PolarHBondContact O-N 3.03Å; D115-I145 HydrophobicContact CB-CG2 3.98Å; Y143-I145 PolarHBondContact O-N 2.86Å
146	S	98.7	Very high	96.9	Very high	61 Å²	61	50.9 Å²	50.9	43%	0.427	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	106.9	169.4	-178.2	0	0	0	0	108.6	S112 I113	S112-S146 CarbonylContact C-O 3.6Å; S112-S146 WeakPolarHBondContact CA-O 3.44Å; I113-S146 PolarHBondContact N-O 3.5Å; I113-S146 PolarHBondContact O-N 3.37Å
147	L	98.6	Very high	96.5	Very high	89 Å²	89	52.2 Å²	52.2	47%	0.466	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-76.2	123	178.1	-179.7	64.5	0	0	0	109.3	I31 V144	I31-L147 HydrophobicContact CD1-CD2 4Å; V144-L147 HydrophobicContact CG1-CB 3.77Å; V144-L147 HydrophobicContact CG1-CD1 4.17Å
148	A	98.4	Very high	96.2	Very high	23 Å²	23	54.1 Å²	54.1	19%	0.19	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-79.4	153.5	171.7	0	0	0	0	0	111.1	N109 K110 E111 S112	N109-A148 WeakPolarHBondContact CB-O 3.26Å; N109-A148 PolarHBondContact ND2-O 3.18Å; K110-A148 WeakPolarHBondContact O-CB 3.38Å; E111-A148 HydrophobicContact CB-CB 4.49Å; S112-A148 PolarHBondContact OG-N 3.07Å
149	E	97.3	Very high	95.9	Very high	154 Å²	154	52.1 Å²	52.1	72%	0.72	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-63.1	148.4	166.7	-73	-169.8	-150.8	0	0	111.2	R151	E149-R151 VanDerWaalsContact C-N 3.3Å; E149-R151 PolarHBondContact O-N 3.47Å
150	P	93.3	Very high	95.6	Very high	92 Å²	92	53.8 Å²	53.8	60%	0.597	28%	0.275	S	S	*	.	S	Bend	trans	-71.1	-22	-172.5	27.6	-35.6	0	0	0	114
151	R	93.9	Very high	95.2	Very high	211 Å²	211	53.3 Å²	53.3	80%	0.796	27%	0.272	S	S	*	.			trans	-107.4	117.1	177.9	-69.4	-173.1	-64	-97.2	-3.1	109.5	E149	E149-R151 VanDerWaalsContact C-N 3.3Å; E149-R151 PolarHBondContact O-N 3.47Å
152	L	94.5	Very high	94.6	Very high	32 Å²	32	51.4 Å²	51.4	17%	0.168	27%	0.266	C	S	.	.			trans	-89.2	144.6	169.1	-59.5	175.3	0	0	0	109.4	K110 E111 L154	K110-L152 HydrophobicContact CB-CD1 4.05Å; E111-L152 HydrophobicContact CB-CD1 4.33Å; E111-L152 HydrophobicContact CB-CD2 4.21Å; E111-L152 HydrophobicContact CG-CD1 3.81Å; E111-L152 HydrophobicContact CG-CD2 4.38Å; L152-L154 VanDerWaalsContact C-N 3.25Å; L152-L154 VanDerWaalsContact CB-O 3.27Å; L152-L154 WeakPolarHBondContact CB-O 3.48Å; L152-L154 PolarHBondContact O-N 3.48Å
153	P	93	Very high	93.5	Very high	74 Å²	74	56.9 Å²	56.9	48%	0.481	29%	0.291	S	S	.	.	S	Bend	trans	-70.9	-21.6	178.5	30	-36.2	0	0	0	113	N182 I185	P153-N182 HydrophobicContact CB-CB 4.42Å; P153-N182 WeakPolarHBondContact CB-OD1 3.41Å; P153-N182 HydrophobicContact CG-CB 4.04Å; P153-N182 WeakPolarHBondContact CG-OD1 3.38Å; P153-I185 HydrophobicContact CG-CG1 4.15Å
154	L	93.7	Very high	92.3	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	31%	0.307	C	S	.	.	S	Bend	trans	-141.6	153.8	167	66	81.2	0	0	0	109.9	L152 A159 V174 R179 N182 I185	L152-L154 VanDerWaalsContact C-N 3.25Å; L152-L154 VanDerWaalsContact CB-O 3.27Å; L152-L154 WeakPolarHBondContact CB-O 3.48Å; L152-L154 PolarHBondContact O-N 3.48Å; L154-A159 HydrophobicContact CD1-CB 4.02Å; L154-V174 HydrophobicContact CB-CG1 4.23Å; L154-V174 HydrophobicContact CB-CG2 4.4Å; L154-V174 HydrophobicContact CD2-CG1 4.38Å; L154-R179 HydrophobicContact CD2-CG 4.44Å; L154-N182 HydrophobicContact CD2-CB 3.99Å; L154-I185 HydrophobicContact CD1-CB 4.35Å; L154-I185 HydrophobicContact CD1-CG2 3.63Å; L154-I185 HydrophobicContact CG-CB 4.33Å; L154-I185 HydrophobicContact CG-CG2 4.01Å
155	Q	93.4	Very high	91	Very high	62 Å²	62	62.1 Å²	62.1	29%	0.29	33%	0.328	S	S	.	.			trans	-89.6	134.5	170.8	-62.9	-61.2	-57.5	0	0	109.8	D157 D158 A159	Q155-D157 VanDerWaalsContact C-N 3.3Å; Q155-D157 PolarHBondContact O-N 3.47Å; Q155-D158 HydrophobicContact CB-CB 4.37Å; Q155-D158 WeakPolarHBondContact CB-OD2 3.38Å; Q155-D158 PolarHBondContact O-N 3.33Å; Q155-A159 PolarHBondContact O-N 3.11Å
156	L	93.1	Very high	89.4	Confident	9 Å²	9	60.9 Å²	60.9	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-38.8	177.3	-74.7	168.7	0	0	0	112.3	E111 D158 A159 V160 I185 R188 T189	E111-L156 VanDerWaalsContact CD-CD1 3.41Å; E111-L156 HydrophobicContact CG-CD1 3.97Å; E111-L156 VanDerWaalsContact OE1-CD1 3.26Å; E111-L156 WeakPolarHBondContact OE1-CD1 3.45Å; L156-D158 VanDerWaalsContact C-N 3.25Å; L156-D158 PolarHBondContact O-N 3.16Å; L156-A159 PolarHBondContact O-N 3.48Å; L156-A159 VanDerWaalsContact O-N 3.15Å; L156-V160 WeakPolarHBondContact O-CG2 3.35Å; L156-V160 PolarHBondContact O-N 3.23Å; L156-I185 HydrophobicContact CD2-CG2 4.31Å; L156-R188 HydrophobicContact CD2-CB 4.23Å; L156-T189 HydrophobicContact CD2-CG2 3.72Å
157	D	91.5	Very high	87.9	Confident	58 Å²	58	66 Å²	66	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-32.1	-179	-56.9	-48.1	0	0	0	112.4	H67 K110 Q155	H67-D157 IonicContact CD2-OD1 3.55Å; H67-D157 IonicContact CE1-OD1 2.67Å; H67-D157 IonicContact NE2-OD1 2.76Å; H67-D157 PolarHBondContact NE2-OD1 3.39Å; K110-D157 IonicContact NZ-OD2 2.74Å; K110-D157 PolarHBondContact NZ-OD2 2.88Å; Q155-D157 VanDerWaalsContact C-N 3.3Å; Q155-D157 PolarHBondContact O-N 3.47Å
158	D	92.2	Very high	86.5	Confident	41 Å²	41	69.8 Å²	69.8	22%	0.219	36%	0.356	C	S	.	.	H	α-helix	trans	-86.3	-22.2	177.9	-58.9	-35.5	0	0	0	112.1	Q155 L156 R161 A172 V174	Q155-D158 HydrophobicContact CB-CB 4.37Å; Q155-D158 WeakPolarHBondContact CB-OD2 3.38Å; Q155-D158 PolarHBondContact O-N 3.33Å; L156-D158 VanDerWaalsContact C-N 3.25Å; L156-D158 PolarHBondContact O-N 3.16Å; D158-R161 IonicContact OD1-CZ 3.79Å; D158-R161 IonicContact OD1-NH2 3.48Å; D158-R161 PolarHBondContact OD1-NH2 2.72Å; D158-A172 WeakPolarHBondContact CB-O 3.32Å; D158-V174 HydrophobicContact CB-CG2 3.97Å
159	A	92.4	Very high	85.1	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.008	37%	0.373	C	S	.	.	H	α-helix	trans	-85.6	-16.2	175.7	0	0	0	0	0	114	L154 Q155 L156 V174 T189 Q331	L154-A159 HydrophobicContact CD1-CB 4.02Å; Q155-A159 PolarHBondContact O-N 3.11Å; L156-A159 PolarHBondContact O-N 3.48Å; L156-A159 VanDerWaalsContact O-N 3.15Å; A159-V174 HydrophobicContact CB-CB 4.46Å; A159-V174 HydrophobicContact CB-CG2 4.1Å; A159-T189 HydrophobicContact CB-CG2 3.97Å; A159-Q331 PolarHBondContact O-NE2 2.69Å
160	V	91.3	Very high	83.9	Confident	42 Å²	42	70.3 Å²	70.3	26%	0.255	37%	0.374	S	S	.	.	S	Bend	trans	-97.3	-7.3	171.4	-61.5	0	0	0	0	114.1	L156 T189 Q331	L156-V160 WeakPolarHBondContact O-CG2 3.35Å; L156-V160 PolarHBondContact O-N 3.23Å; V160-T189 HydrophobicContact CG1-CG2 3.75Å; V160-Q331 VanDerWaalsContact O-CD 3.3Å; V160-Q331 WeakPolarHBondContact O-CG 3.46Å
161	R	90.3	Very high	83.1	Confident	20 Å²	20	72 Å²	72	8%	0.075	37%	0.368	C	S	.	.	S	Bend	trans	-62	133.7	177.6	-167.1	-175.5	-56.2	-65.5	-11.6	110.1	D158 E165 G166 A172 T173 Q331	D158-R161 IonicContact OD1-CZ 3.79Å; D158-R161 IonicContact OD1-NH2 3.48Å; D158-R161 PolarHBondContact OD1-NH2 2.72Å; R161-E165 HydrophobicContact CG-CB 4.43Å; R161-G166 VanDerWaalsContact CD-CA 3.46Å; R161-A172 PolarHBondContact NE-O 3.39Å; R161-T173 HydrophobicContact CB-CG2 4.41Å; R161-T173 HydrophobicContact CG-CG2 4.4Å; R161-Q331 PolarHBondContact O-NE2 3.28Å; R161-Q331 VanDerWaalsContact O-NE2 3.16Å
162	P	86.1	Confident	82.5	Confident	17 Å²	17	65 Å²	65	11%	0.11	36%	0.355	C	S	.	.			trans	-62.3	143.6	165	-18.1	31.3	0	0	0	110.3	A164 E165 G166	P162-A164 PolarHBondContact O-N 3.49Å; P162-E165 HydrophobicContact CB-CB 4.4Å; P162-E165 HydrophobicContact CB-CG 4.17Å; P162-E165 WeakPolarHBondContact CD-OE2 3.45Å; P162-E165 HydrophobicContact CG-CG 4.06Å; P162-E165 PolarHBondContact O-N 3.41Å; P162-G166 PolarHBondContact O-N 3.24Å
163	E	76.7	Confident	82.1	Confident	116 Å²	116	66.7 Å²	66.7	54%	0.542	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-42.3	-175.5	-68.6	178.8	169.2	0	0	111.8	E165 G166 E167	E163-E165 PolarHBondContact O-N 3.34Å; E163-G166 PolarHBondContact O-N 3.44Å; E163-G166 VanDerWaalsContact O-N 3.07Å; E163-E167 PolarHBondContact O-N 3.24Å; E163-E167 VanDerWaalsContact O-N 3.16Å
164	A	73.1	Confident	81.8	Confident	63 Å²	63	64.3 Å²	64.3	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-45.3	176.2	0	0	0	0	0	113.6	P162 G166 E167 E168	P162-A164 PolarHBondContact O-N 3.49Å; A164-G166 PolarHBondContact O-N 2.9Å; A164-E167 PolarHBondContact O-N 2.9Å; A164-E168 WeakPolarHBondContact O-CG 3.31Å; A164-E168 PolarHBondContact O-N 2.82Å
165	E	71.8	Confident	81.7	Confident	98 Å²	98	68.8 Å²	68.8	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-30.4	176.5	-68.5	-176	-175.2	0	0	112.4	R161 P162 E163 E169	R161-E165 HydrophobicContact CG-CB 4.43Å; P162-E165 HydrophobicContact CB-CB 4.4Å; P162-E165 HydrophobicContact CB-CG 4.17Å; P162-E165 WeakPolarHBondContact CD-OE2 3.45Å; P162-E165 HydrophobicContact CG-CG 4.06Å; P162-E165 PolarHBondContact O-N 3.41Å; E163-E165 PolarHBondContact O-N 3.34Å; E165-E169 WeakPolarHBondContact O-CB 3.28Å; E165-E169 PolarHBondContact O-N 2.93Å; E165-E169 VanDerWaalsContact O-N 3.07Å
166	G	65.2	Low	81.5	Confident	7 Å²	7	68.8 Å²	68.8	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-43.7	175.9	0	0	0	0	0	112.7	R161 P162 E163 A164 G170 R171	R161-G166 VanDerWaalsContact CD-CA 3.46Å; P162-G166 PolarHBondContact O-N 3.24Å; E163-G166 PolarHBondContact O-N 3.44Å; E163-G166 VanDerWaalsContact O-N 3.07Å; A164-G166 PolarHBondContact O-N 2.9Å; G166-G170 CarbonylContact O-C 3.57Å; G166-G170 WeakPolarHBondContact O-CA 3.37Å; G166-G170 PolarHBondContact O-N 3.39Å; G166-G170 VanDerWaalsContact O-N 3.11Å; G166-R171 WeakPolarHBondContact CA-O 3.29Å; G166-R171 PolarHBondContact O-N 3.13Å
167	E	66.7	Low	81.4	Confident	168 Å²	168	72.8 Å²	72.8	79%	0.785	40%	0.397	S	S	*	.	H	α-helix	trans	-68.7	-44.5	178	-65.6	-176.3	173.7	0	0	111.8	E163 A164	E163-E167 PolarHBondContact O-N 3.24Å; E163-E167 VanDerWaalsContact O-N 3.16Å; A164-E167 PolarHBondContact O-N 2.9Å
168	E	67.9	Low	81.5	Confident	169 Å²	169	72.3 Å²	72.3	79%	0.79	40%	0.396	S	S	*	.	H	α-helix	trans	-68.3	-42.8	-179.9	-71.1	-177.5	-178.8	0	0	113.5	A164	A164-E168 WeakPolarHBondContact O-CG 3.31Å; A164-E168 PolarHBondContact O-N 2.82Å
169	E	70	Confident	81.7	Confident	116 Å²	116	71.7 Å²	71.7	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-86.7	-4.1	-179.8	-61.8	-165.5	142.7	0	0	113.6	E165 R171	E165-E169 WeakPolarHBondContact O-CB 3.28Å; E165-E169 PolarHBondContact O-N 2.93Å; E165-E169 VanDerWaalsContact O-N 3.07Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 HydrophobicContact CB-CB 4.43Å; E169-R171 HydrophobicContact CB-CG 3.79Å; E169-R171 PolarHBondContact O-N 2.95Å; E169-R171 WeakPolarHBondContact OE2-CD 3.48Å; E169-R171 IonicContact OE2-CZ 3.12Å; E169-R171 IonicContact OE2-NE 3.37Å; E169-R171 IonicContact OE2-NH1 2.72Å; E169-R171 PolarHBondContact OE2-NH1 3.06Å
170	G	72.1	Confident	81.8	Confident	72 Å²	72	71.8 Å²	71.8	74%	0.742	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	31.7	-174.1	0	0	0	0	0	113.3	G166	G166-G170 CarbonylContact O-C 3.57Å; G166-G170 WeakPolarHBondContact O-CA 3.37Å; G166-G170 PolarHBondContact O-N 3.39Å; G166-G170 VanDerWaalsContact O-N 3.11Å
171	R	75.6	Confident	82	Confident	128 Å²	128	74.3 Å²	74.3	48%	0.483	40%	0.403	S	S	.	.			trans	-107.4	143.2	-173.4	-66.5	172.4	80.7	-172.3	3.3	111.1	G166 E169 T173	G166-R171 WeakPolarHBondContact CA-O 3.29Å; G166-R171 PolarHBondContact O-N 3.13Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 HydrophobicContact CB-CB 4.43Å; E169-R171 HydrophobicContact CB-CG 3.79Å; E169-R171 PolarHBondContact O-N 2.95Å; E169-R171 WeakPolarHBondContact OE2-CD 3.48Å; E169-R171 IonicContact OE2-CZ 3.12Å; E169-R171 IonicContact OE2-NE 3.37Å; E169-R171 IonicContact OE2-NH1 2.72Å; E169-R171 PolarHBondContact OE2-NH1 3.06Å; R171-T173 PolarHBondContact O-N 2.95Å
172	A	81.7	Confident	82.3	Confident	63 Å²	63	75.7 Å²	75.7	52%	0.521	41%	0.412	S	S	.	.			trans	-58.9	135.1	-176.9	0	0	0	0	0	112.7	D158 R161	D158-A172 WeakPolarHBondContact CB-O 3.32Å; R161-A172 PolarHBondContact NE-O 3.39Å
173	T	85.9	Confident	82.9	Confident	68 Å²	68	75.2 Å²	75.2	42%	0.417	41%	0.408	S	S	.	.			trans	-110.5	163.6	161.4	56.1	0	0	0	0	108.6	R161 R171	R161-T173 HydrophobicContact CB-CG2 4.41Å; R161-T173 HydrophobicContact CG-CG2 4.4Å; R171-T173 PolarHBondContact O-N 2.95Å
174	V	88.1	Confident	83.9	Confident	25 Å²	25	74 Å²	74	15%	0.152	41%	0.408	C	S	.	.			trans	-107.2	120.5	177.8	-168.1	0	0	0	0	109.9	L154 D158 A159 T178 R179	L154-V174 HydrophobicContact CB-CG1 4.23Å; L154-V174 HydrophobicContact CB-CG2 4.4Å; L154-V174 HydrophobicContact CD2-CG1 4.38Å; D158-V174 HydrophobicContact CB-CG2 3.97Å; A159-V174 HydrophobicContact CB-CB 4.46Å; A159-V174 HydrophobicContact CB-CG2 4.1Å; V174-T178 HydrophobicContact CG1-CG2 3.76Å; V174-R179 HydrophobicContact CB-CG 3.95Å; V174-R179 HydrophobicContact CG1-CG 3.68Å; V174-R179 VanDerWaalsContact O-CD 3.28Å; V174-R179 WeakPolarHBondContact O-CD 3.32Å
175	N	90.1	Very high	85	Confident	101 Å²	101	72 Å²	72	54%	0.54	39%	0.389	S	S	.	.			trans	-62.8	157.2	178.9	71.8	33.9	0	0	0	112.4	D177 T178 R179	N175-D177 PolarHBondContact O-N 3Å; N175-T178 PolarHBondContact O-N 3.4Å; N175-T178 WeakPolarHBondContact OD1-CB 3.47Å; N175-T178 PolarHBondContact OD1-N 2.73Å; N175-T178 PolarHBondContact OD1-OG1 3.41Å; N175-R179 WeakPolarHBondContact O-CG 3.36Å; N175-R179 PolarHBondContact O-N 3.33Å
176	Q	89.4	Confident	86.3	Confident	62 Å²	62	67.3 Å²	67.3	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-46.1	-172.9	-179.1	172.1	84.4	0	0	113	T178 R179 L180 N485	Q176-T178 PolarHBondContact O-N 3.09Å; Q176-R179 WeakPolarHBondContact O-CB 3.19Å; Q176-R179 PolarHBondContact O-N 2.94Å; Q176-R179 VanDerWaalsContact O-N 3.13Å; Q176-L180 HydrophobicContact CG-CD1 3.87Å; Q176-L180 HydrophobicContact CG-CG 4.17Å; Q176-L180 WeakPolarHBondContact O-CG 3.36Å; Q176-L180 PolarHBondContact O-N 3.14Å; Q176-N485 PolarHBondContact NE2-ND2 3.36Å; Q176-N485 PolarHBondContact OE1-ND2 3.34Å
177	D	91.2	Very high	87.8	Confident	93 Å²	93	68.1 Å²	68.1	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-42.6	-178	-76.4	-50.2	0	0	0	112.4	N175 R179 L180 D181 R498	N175-D177 PolarHBondContact O-N 3Å; D177-R179 PolarHBondContact O-N 2.71Å; D177-L180 PolarHBondContact O-N 3.14Å; D177-L180 VanDerWaalsContact O-N 3.08Å; D177-D181 WeakPolarHBondContact O-CB 3.44Å; D177-D181 PolarHBondContact O-N 3.21Å; D177-R498 IonicContact OD1-CZ 2.68Å; D177-R498 IonicContact OD1-NH2 3.64Å; D177-R498 PolarHBondContact OD1-NH2 3.37Å
178	T	93.9	Very high	89.3	Confident	49 Å²	49	62.6 Å²	62.6	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-35.5	175.6	-55.4	0	0	0	0	111.9	V174 N175 Q176 N182	V174-T178 HydrophobicContact CG1-CG2 3.76Å; N175-T178 PolarHBondContact O-N 3.4Å; N175-T178 WeakPolarHBondContact OD1-CB 3.47Å; N175-T178 PolarHBondContact OD1-N 2.73Å; N175-T178 PolarHBondContact OD1-OG1 3.41Å; Q176-T178 PolarHBondContact O-N 3.09Å; T178-N182 WeakPolarHBondContact O-CB 3.31Å; T178-N182 PolarHBondContact O-N 2.8Å; T178-N182 PolarHBondContact O-ND2 3.02Å
179	R	95.5	Very high	90.8	Very high	27 Å²	27	54.7 Å²	54.7	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-38.8	175.2	-65.7	172.4	65.6	166.9	7.1	112.1	L154 V174 N175 Q176 D177 N182 R183 D186	L154-R179 HydrophobicContact CD2-CG 4.44Å; V174-R179 HydrophobicContact CB-CG 3.95Å; V174-R179 HydrophobicContact CG1-CG 3.68Å; V174-R179 VanDerWaalsContact O-CD 3.28Å; V174-R179 WeakPolarHBondContact O-CD 3.32Å; N175-R179 WeakPolarHBondContact O-CG 3.36Å; N175-R179 PolarHBondContact O-N 3.33Å; Q176-R179 WeakPolarHBondContact O-CB 3.19Å; Q176-R179 PolarHBondContact O-N 2.94Å; Q176-R179 VanDerWaalsContact O-N 3.13Å; D177-R179 PolarHBondContact O-N 2.71Å; R179-N182 CarbonylContact O-C 3.44Å; R179-N182 VanDerWaalsContact O-C 3.27Å; R179-R183 VanDerWaalsContact O-CA 3.28Å; R179-R183 WeakPolarHBondContact O-CA 3.45Å; R179-R183 PolarHBondContact O-N 3.01Å; R179-R183 VanDerWaalsContact O-N 3.11Å; R179-D186 HydrophobicContact CB-CB 4.23Å; R179-D186 IonicContact CZ-OD1 2.72Å; R179-D186 IonicContact NE-OD1 2.92Å; R179-D186 PolarHBondContact NE-OD1 2.83Å; R179-D186 IonicContact NH2-OD1 2.7Å; R179-D186 PolarHBondContact NH2-OD1 3.26Å; R179-D186 WeakPolarHBondContact O-CB 3.31Å
180	L	95.4	Very high	92	Very high	4 Å²	4	51 Å²	51	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-75.9	-38.5	179.3	-66.2	-179.9	0	0	0	112.5	Q176 D177 N182 R183 R487 P493 R498 P501	Q176-L180 HydrophobicContact CG-CD1 3.87Å; Q176-L180 HydrophobicContact CG-CG 4.17Å; Q176-L180 WeakPolarHBondContact O-CG 3.36Å; Q176-L180 PolarHBondContact O-N 3.14Å; D177-L180 PolarHBondContact O-N 3.14Å; D177-L180 VanDerWaalsContact O-N 3.08Å; L180-N182 PolarHBondContact O-N 2.7Å; L180-R183 WeakPolarHBondContact O-CB 3.41Å; L180-R183 PolarHBondContact O-N 3.28Å; L180-R487 HydrophobicContact CD1-CB 4.04Å; L180-R487 HydrophobicContact CD1-CG 4.42Å; L180-P493 HydrophobicContact CD1-CG 3.96Å; L180-P493 HydrophobicContact CD2-CG 3.67Å; L180-P493 HydrophobicContact CG-CG 4.36Å; L180-R498 VanDerWaalsContact CB-CZ 3.47Å; L180-P501 VanDerWaalsContact O-CD 3.32Å; L180-P501 WeakPolarHBondContact O-CD 3.44Å
181	D	95.9	Very high	93.2	Very high	95 Å²	95	47.9 Å²	47.9	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-28.4	173.9	-64.2	-6.5	0	0	0	111.3	D177 R498	D177-D181 WeakPolarHBondContact O-CB 3.44Å; D177-D181 PolarHBondContact O-N 3.21Å; D181-R498 IonicContact OD1-CZ 3.65Å; D181-R498 VanDerWaalsContact OD1-CZ 3.26Å; D181-R498 IonicContact OD1-NH1 2.75Å; D181-R498 PolarHBondContact OD1-NH1 3.23Å; D181-R498 IonicContact OD1-NH2 2.7Å; D181-R498 PolarHBondContact OD1-NH2 3.5Å
182	N	96.6	Very high	94.3	Very high	48 Å²	48	42 Å²	42	26%	0.257	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	34.9	178.3	-62	-81	0	0	0	112.5	P153 L154 T178 R179 L180 V184 I185 D186	P153-N182 HydrophobicContact CB-CB 4.42Å; P153-N182 WeakPolarHBondContact CB-OD1 3.41Å; P153-N182 HydrophobicContact CG-CB 4.04Å; P153-N182 WeakPolarHBondContact CG-OD1 3.38Å; L154-N182 HydrophobicContact CD2-CB 3.99Å; T178-N182 WeakPolarHBondContact O-CB 3.31Å; T178-N182 PolarHBondContact O-N 2.8Å; T178-N182 PolarHBondContact O-ND2 3.02Å; R179-N182 CarbonylContact O-C 3.44Å; R179-N182 VanDerWaalsContact O-C 3.27Å; L180-N182 PolarHBondContact O-N 2.7Å; N182-V184 PolarHBondContact O-N 2.74Å; N182-I185 PolarHBondContact O-N 3.36Å; N182-D186 PolarHBondContact O-N 3.36Å
183	R	97.6	Very high	95.1	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-51.5	-35	-169.2	-165.3	52.7	161.2	-178.9	-14.7	114.4	R179 L180 I185 D186 L187 R487 S490 M491 F492 P501	R179-R183 VanDerWaalsContact O-CA 3.28Å; R179-R183 WeakPolarHBondContact O-CA 3.45Å; R179-R183 PolarHBondContact O-N 3.01Å; R179-R183 VanDerWaalsContact O-N 3.11Å; L180-R183 WeakPolarHBondContact O-CB 3.41Å; L180-R183 PolarHBondContact O-N 3.28Å; R183-I185 PolarHBondContact O-N 3.03Å; R183-D186 IonicContact CZ-OD2 3.53Å; R183-D186 IonicContact NH1-OD2 3.53Å; R183-D186 PolarHBondContact NH1-OD2 3.34Å; R183-D186 PolarHBondContact O-N 2.92Å; R183-L187 HydrophobicContact CG-CD1 3.91Å; R183-L187 HydrophobicContact CG-CG 3.94Å; R183-L187 WeakPolarHBondContact O-CB 3.35Å; R183-L187 WeakPolarHBondContact O-CG 3.26Å; R183-L187 PolarHBondContact O-N 2.94Å; R183-R487 PolarHBondContact NH2-O 2.98Å; R183-S490 PolarHBondContact NH2-O 2.65Å; R183-M491 VanDerWaalsContact CG-O 3.28Å; R183-M491 WeakPolarHBondContact CG-O 3.34Å; R183-M491 PolarHBondContact NE-O 3.21Å; R183-F492 HydrophobicContact CB-CD1 4.4Å; R183-F492 HydrophobicContact CB-CE1 4.21Å; R183-F492 HydrophobicContact CG-CD1 4.07Å; R183-F492 HydrophobicContact CG-CE1 4Å; R183-P501 HydrophobicContact CB-CG 4.12Å
184	V	97.8	Very high	95.7	Very high	90 Å²	90	38 Å²	38	55%	0.545	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-23.1	178.3	179.3	0	0	0	0	113.6	N182 R188	N182-V184 PolarHBondContact O-N 2.74Å; V184-R188 WeakPolarHBondContact O-CG 3.33Å; V184-R188 PolarHBondContact O-NE 3.35Å
185	I	97.3	Very high	96.2	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.108	20%	0.197	C	C	.	.	H	α-helix	trans	-88.3	-44.8	171	-53.1	-55.7	0	0	0	110.2	P153 L154 L156 N182 R183 L187 R188	P153-I185 HydrophobicContact CG-CG1 4.15Å; L154-I185 HydrophobicContact CD1-CB 4.35Å; L154-I185 HydrophobicContact CD1-CG2 3.63Å; L154-I185 HydrophobicContact CG-CB 4.33Å; L154-I185 HydrophobicContact CG-CG2 4.01Å; L156-I185 HydrophobicContact CD2-CG2 4.31Å; N182-I185 PolarHBondContact O-N 3.36Å; R183-I185 PolarHBondContact O-N 3.03Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.89Å; I185-R188 VanDerWaalsContact O-CB 3.24Å; I185-R188 WeakPolarHBondContact O-CB 3.22Å; I185-R188 WeakPolarHBondContact O-CG 3.26Å; I185-R188 PolarHBondContact O-N 2.92Å
186	D	97.7	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-41.3	178.2	173.6	79.7	0	0	0	113.1	R179 N182 R183 R188 T189 S192	R179-D186 HydrophobicContact CB-CB 4.23Å; R179-D186 IonicContact CZ-OD1 2.72Å; R179-D186 IonicContact NE-OD1 2.92Å; R179-D186 PolarHBondContact NE-OD1 2.83Å; R179-D186 IonicContact NH2-OD1 2.7Å; R179-D186 PolarHBondContact NH2-OD1 3.26Å; R179-D186 WeakPolarHBondContact O-CB 3.31Å; N182-D186 PolarHBondContact O-N 3.36Å; R183-D186 IonicContact CZ-OD2 3.53Å; R183-D186 IonicContact NH1-OD2 3.53Å; R183-D186 PolarHBondContact NH1-OD2 3.34Å; R183-D186 PolarHBondContact O-N 2.92Å; D186-R188 PolarHBondContact O-N 3.08Å; D186-T189 WeakPolarHBondContact O-CB 3.36Å; D186-T189 VanDerWaalsContact O-CG2 3.3Å; D186-T189 WeakPolarHBondContact O-CG2 3.39Å; D186-T189 PolarHBondContact O-N 2.69Å; D186-T189 PolarHBondContact O-OG1 3Å; D186-S192 WeakPolarHBondContact O-CB 3.45Å; D186-S192 PolarHBondContact O-OG 2.67Å; D186-S192 PolarHBondContact OD2-OG 3.02Å; D186-S192 VanDerWaalsContact OD2-OG 3.06Å
187	L	98.3	Very high	97.1	Very high	23 Å²	23	34.1 Å²	34.1	12%	0.12	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-7.8	175.6	-70.7	175.7	0	0	0	113.9	R183 I185 Q193 F196 M491 F492	R183-L187 HydrophobicContact CG-CD1 3.91Å; R183-L187 HydrophobicContact CG-CG 3.94Å; R183-L187 WeakPolarHBondContact O-CB 3.35Å; R183-L187 WeakPolarHBondContact O-CG 3.26Å; R183-L187 PolarHBondContact O-N 2.94Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.89Å; L187-Q193 PolarHBondContact O-NE2 3.07Å; L187-F196 HydrophobicContact CD2-CD2 3.51Å; L187-F196 HydrophobicContact CD2-CE2 3.3Å; L187-F196 HydrophobicContact CD2-CZ 4.27Å; L187-M491 HydrophobicContact CD1-CG 3.7Å; L187-M491 HydrophobicContact CD1-SD 4.25Å; L187-M491 HydrophobicContact CD2-CG 3.93Å; L187-M491 HydrophobicContact CG-CG 4.49Å; L187-F492 HydrophobicContact CD1-CE1 4.36Å; L187-F492 HydrophobicContact CD1-CE2 4.31Å; L187-F492 HydrophobicContact CD1-CZ 3.86Å
188	R	98.2	Very high	97.4	Very high	52 Å²	52	29.7 Å²	29.7	20%	0.196	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.5	173.9	-46.5	179.1	-172.5	-173.7	2.1	113.1	R81 E111 L156 V184 I185 D186	R81-R188 PolarHBondContact NH1-O 2.88Å; E111-R188 WeakPolarHBondContact OE2-CD 3.44Å; E111-R188 IonicContact OE2-CZ 3.49Å; E111-R188 IonicContact OE2-NE 3.59Å; E111-R188 IonicContact OE2-NH1 3.41Å; E111-R188 PolarHBondContact OE2-NH1 3.42Å; L156-R188 HydrophobicContact CD2-CB 4.23Å; V184-R188 WeakPolarHBondContact O-CG 3.33Å; V184-R188 PolarHBondContact O-NE 3.35Å; I185-R188 VanDerWaalsContact O-CB 3.24Å; I185-R188 WeakPolarHBondContact O-CB 3.22Å; I185-R188 WeakPolarHBondContact O-CG 3.26Å; I185-R188 PolarHBondContact O-N 2.92Å; D186-R188 PolarHBondContact O-N 3.08Å
189	T	97.8	Very high	97.6	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	14%	0.143	C	C	.	.	S	Bend	trans	-59.1	151.2	172.2	60.5	0	0	0	0	110.4	L156 A159 V160 D186 T191 S192 Q193	L156-T189 HydrophobicContact CD2-CG2 3.72Å; A159-T189 HydrophobicContact CB-CG2 3.97Å; V160-T189 HydrophobicContact CG1-CG2 3.75Å; D186-T189 WeakPolarHBondContact O-CB 3.36Å; D186-T189 VanDerWaalsContact O-CG2 3.3Å; D186-T189 WeakPolarHBondContact O-CG2 3.39Å; D186-T189 PolarHBondContact O-N 2.69Å; D186-T189 PolarHBondContact O-OG1 3Å; T189-T191 PolarHBondContact O-N 2.63Å; T189-S192 VanDerWaalsContact OG1-CB 3.24Å; T189-S192 WeakPolarHBondContact OG1-CB 3.29Å; T189-S192 PolarHBondContact OG1-N 3.43Å; T189-S192 VanDerWaalsContact OG1-N 3.12Å; T189-S192 PolarHBondContact OG1-OG 3.24Å; T189-S192 VanDerWaalsContact OG1-OG 3.1Å; T189-Q193 WeakPolarHBondContact O-CB 3.38Å; T189-Q193 VanDerWaalsContact O-CG 3.31Å; T189-Q193 WeakPolarHBondContact O-CG 3.34Å; T189-Q193 PolarHBondContact O-N 2.71Å
190	S	96.9	Very high	97.8	Very high	40 Å²	40	30.9 Å²	30.9	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-58	-41.3	175.4	43.8	0	0	0	0	111.5	Q193 A194	S190-Q193 PolarHBondContact O-N 3.2Å; S190-A194 WeakPolarHBondContact O-CB 3.43Å; S190-A194 PolarHBondContact O-N 3.18Å
191	T	97.3	Very high	98	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-52.2	-179.3	-49.1	0	0	0	0	112.2	T189 Q193 A194 V195 V328 Q331 F332	T189-T191 PolarHBondContact O-N 2.63Å; T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.1Å; T191-A194 PolarHBondContact O-N 3.46Å; T191-A194 VanDerWaalsContact O-N 3.09Å; T191-V195 WeakPolarHBondContact O-CG2 3.36Å; T191-V195 PolarHBondContact O-N 3.37Å; T191-V328 HydrophobicContact CG2-CG1 4.32Å; T191-V328 HydrophobicContact CG2-CG2 4.35Å; T191-Q331 HydrophobicContact CG2-CB 4.25Å; T191-Q331 PolarHBondContact OG1-OE1 3.07Å; T191-F332 HydrophobicContact CG2-CD2 3.87Å; T191-F332 HydrophobicContact CG2-CE2 3.8Å
192	S	98.1	Very high	98.1	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-36.9	176.5	-61.1	0	0	0	0	111.4	D186 T189 A194 V195 F196	D186-S192 WeakPolarHBondContact O-CB 3.45Å; D186-S192 PolarHBondContact O-OG 2.67Å; D186-S192 PolarHBondContact OD2-OG 3.02Å; D186-S192 VanDerWaalsContact OD2-OG 3.06Å; T189-S192 VanDerWaalsContact OG1-CB 3.24Å; T189-S192 WeakPolarHBondContact OG1-CB 3.29Å; T189-S192 PolarHBondContact OG1-N 3.43Å; T189-S192 VanDerWaalsContact OG1-N 3.12Å; T189-S192 PolarHBondContact OG1-OG 3.24Å; T189-S192 VanDerWaalsContact OG1-OG 3.1Å; S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 3.42Å; S192-V195 PolarHBondContact O-N 2.89Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 PolarHBondContact O-N 2.82Å
193	Q	98.4	Very high	98.2	Very high	47 Å²	47	24.8 Å²	24.8	22%	0.22	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-41.7	171.7	-79.6	-68.5	-65.9	0	0	112.7	Q84 L187 T189 S190 T191 R197	Q84-Q193 HydrophobicContact CB-CB 4.29Å; L187-Q193 PolarHBondContact O-NE2 3.07Å; T189-Q193 WeakPolarHBondContact O-CB 3.38Å; T189-Q193 VanDerWaalsContact O-CG 3.31Å; T189-Q193 WeakPolarHBondContact O-CG 3.34Å; T189-Q193 PolarHBondContact O-N 2.71Å; S190-Q193 PolarHBondContact O-N 3.2Å; T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.1Å; Q193-R197 VanDerWaalsContact O-CD 3.31Å; Q193-R197 WeakPolarHBondContact O-CD 2.91Å; Q193-R197 WeakPolarHBondContact O-CG 3.36Å; Q193-R197 PolarHBondContact O-N 3.42Å
194	A	98.3	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-46	179.3	0	0	0	0	0	112.4	S190 T191 S192 F196 R197 L198 E324 T327 V328	S190-A194 WeakPolarHBondContact O-CB 3.43Å; S190-A194 PolarHBondContact O-N 3.18Å; T191-A194 PolarHBondContact O-N 3.46Å; T191-A194 VanDerWaalsContact O-N 3.09Å; S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 3.42Å; A194-F196 PolarHBondContact O-N 3.06Å; A194-R197 PolarHBondContact O-N 2.68Å; A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 3.1Å; A194-E324 HydrophobicContact CB-CB 3.92Å; A194-E324 HydrophobicContact CB-CG 4.14Å; A194-T327 HydrophobicContact CB-CG2 3.86Å; A194-V328 HydrophobicContact CB-CG2 3.82Å
195	V	98.7	Very high	98.3	Very high	5 Å²	5	25 Å²	25	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-53.2	-50.9	176.8	170.4	0	0	0	0	111.2	T191 S192 R197 L198 Q199 V328 T477 L481 L483 T489	T191-V195 WeakPolarHBondContact O-CG2 3.36Å; T191-V195 PolarHBondContact O-N 3.37Å; S192-V195 PolarHBondContact O-N 2.89Å; V195-R197 PolarHBondContact O-N 2.7Å; V195-L198 PolarHBondContact O-N 3.29Å; V195-Q199 WeakPolarHBondContact O-CB 3.29Å; V195-Q199 PolarHBondContact O-N 3.07Å; V195-V328 HydrophobicContact CG2-CG1 4.46Å; V195-V328 HydrophobicContact CG2-CG2 3.74Å; V195-T477 HydrophobicContact CG1-CG2 4.23Å; V195-L481 HydrophobicContact CG2-CD1 4.05Å; V195-L483 HydrophobicContact CG2-CD1 4.15Å; V195-T489 HydrophobicContact CG1-CG2 3.92Å
196	F	98.8	Very high	98.4	Very high	22 Å²	22	24 Å²	24	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-76.2	-22.3	-176.4	-67.9	-64	0	0	0	114	L187 S192 A194 S200 T489 M491	L187-F196 HydrophobicContact CD2-CD2 3.51Å; L187-F196 HydrophobicContact CD2-CE2 3.3Å; L187-F196 HydrophobicContact CD2-CZ 4.27Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 PolarHBondContact O-N 2.82Å; A194-F196 PolarHBondContact O-N 3.06Å; F196-S200 PolarHBondContact O-N 3.26Å; F196-S200 VanDerWaalsContact O-N 3.09Å; F196-T489 WeakPolarHBondContact CE1-O 3.24Å; F196-M491 HydrophobicContact CB-CE 3.69Å; F196-M491 HydrophobicContact CD1-CB 4.09Å; F196-M491 HydrophobicContact CD1-CE 3.69Å; F196-M491 HydrophobicContact CD1-CG 4.49Å; F196-M491 HydrophobicContact CD2-CE 4.12Å; F196-M491 HydrophobicContact CE1-CB 3.71Å; F196-M491 HydrophobicContact CE1-CE 4.45Å; F196-M491 HydrophobicContact CE1-CG 4.38Å; F196-M491 HydrophobicContact CG-CE 3.53Å; F196-M491 VanDerWaalsContact CZ-CA 3.46Å; F196-M491 HydrophobicContact CZ-CB 4.03Å; F196-M491 HydrophobicContact CZ-CG 4.43Å
197	R	98.8	Very high	98.5	Very high	78 Å²	78	27.7 Å²	27.7	29%	0.294	14%	0.138	S	C	.	.	H	α-helix	trans	-68.5	-44.3	167.3	-75.7	167.7	-166.2	-69.2	-16	111.4	Q193 A194 V195 S200 G201 F321 E324	Q193-R197 VanDerWaalsContact O-CD 3.31Å; Q193-R197 WeakPolarHBondContact O-CD 2.91Å; Q193-R197 WeakPolarHBondContact O-CG 3.36Å; Q193-R197 PolarHBondContact O-N 3.42Å; A194-R197 PolarHBondContact O-N 2.68Å; V195-R197 PolarHBondContact O-N 2.7Å; R197-S200 WeakPolarHBondContact O-CB 3.48Å; R197-S200 PolarHBondContact O-N 3.38Å; R197-G201 PolarHBondContact O-N 3.49Å; R197-F321 WeakPolarHBondContact O-CE1 3.27Å; R197-E324 HydrophobicContact CB-CG 3.84Å
198	L	98.6	Very high	98.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-41	177.4	-173.3	146.6	0	0	0	111.5	A194 V195 S200 G201 I202 L317 I325 T477 F480 L481	A194-L198 WeakPolarHBondContact O-CB 3.43Å; A194-L198 PolarHBondContact O-N 3.1Å; V195-L198 PolarHBondContact O-N 3.29Å; L198-S200 PolarHBondContact O-N 2.93Å; L198-G201 CarbonylContact O-C 3.37Å; L198-G201 VanDerWaalsContact O-CA 3.25Å; L198-G201 WeakPolarHBondContact O-CA 3.29Å; L198-G201 PolarHBondContact O-N 3.34Å; L198-I202 HydrophobicContact CD2-CD1 3.87Å; L198-I202 HydrophobicContact CD2-CG1 4.38Å; L198-I202 PolarHBondContact O-N 3.28Å; L198-L317 HydrophobicContact CD2-CD1 4.09Å; L198-L317 HydrophobicContact CD2-CD2 4.32Å; L198-L317 HydrophobicContact CG-CD1 4.45Å; L198-L317 HydrophobicContact CG-CD2 3.93Å; L198-I325 HydrophobicContact CD1-CD1 4.39Å; L198-I325 HydrophobicContact CD1-CG1 3.58Å; L198-T477 HydrophobicContact CD2-CG2 4.2Å; L198-F480 HydrophobicContact CD1-CD1 4.34Å; L198-F480 HydrophobicContact CD1-CE1 4.19Å; L198-F480 HydrophobicContact CD2-CD1 4.26Å; L198-L481 HydrophobicContact CD1-CD1 4.45Å; L198-L481 HydrophobicContact CD1-CD2 3.95Å; L198-L481 HydrophobicContact CD1-CG 4.4Å; L198-L481 HydrophobicContact CD2-CD1 4.25Å; L198-L481 HydrophobicContact CD2-CG 4.43Å
199	Q	98.8	Very high	98.5	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-42.7	172.8	-176.6	167.6	83.9	0	0	112.7	V195 G201 I202 C203 L473 T477 T489	V195-Q199 WeakPolarHBondContact O-CB 3.29Å; V195-Q199 PolarHBondContact O-N 3.07Å; Q199-G201 PolarHBondContact O-N 2.85Å; Q199-I202 PolarHBondContact O-N 3.17Å; Q199-C203 PolarHBondContact O-N 3.08Å; Q199-C203 VanDerWaalsContact O-N 3.17Å; Q199-L473 HydrophobicContact CG-CD1 3.84Å; Q199-L473 HydrophobicContact CG-CD2 3.77Å; Q199-L473 HydrophobicContact CG-CG 3.76Å; Q199-T477 HydrophobicContact CB-CG2 4.05Å; Q199-T477 PolarHBondContact NE2-OG1 3.02Å; Q199-T477 VanDerWaalsContact NE2-OG1 3.14Å; Q199-T489 PolarHBondContact NE2-O 2.71Å; Q199-T489 PolarHBondContact OE1-O 2.92Å
200	S	98.9	Very high	98.6	Very high	80 Å²	80	27.4 Å²	27.4	56%	0.559	14%	0.139	S	C	*	.	H	α-helix	trans	-61.2	-33	170.6	-175	0	0	0	0	112	F196 R197 L198 H204	F196-S200 PolarHBondContact O-N 3.26Å; F196-S200 VanDerWaalsContact O-N 3.09Å; R197-S200 WeakPolarHBondContact O-CB 3.48Å; R197-S200 PolarHBondContact O-N 3.38Å; L198-S200 PolarHBondContact O-N 2.93Å; S200-H204 WeakPolarHBondContact O-CB 3.44Å; S200-H204 PolarHBondContact O-N 2.88Å; S200-H204 VanDerWaalsContact O-N 3.08Å
201	G	98.8	Very high	98.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-45.9	171.7	0	0	0	0	0	112.9	R197 L198 Q199 H204 L205	R197-G201 PolarHBondContact O-N 3.49Å; L198-G201 CarbonylContact O-C 3.37Å; L198-G201 VanDerWaalsContact O-CA 3.25Å; L198-G201 WeakPolarHBondContact O-CA 3.29Å; L198-G201 PolarHBondContact O-N 3.34Å; Q199-G201 PolarHBondContact O-N 2.85Å; G201-H204 PolarHBondContact O-N 2.81Å; G201-H204 VanDerWaalsContact O-N 3.17Å; G201-L205 WeakPolarHBondContact O-CB 3.17Å; G201-L205 VanDerWaalsContact O-CG 3.32Å; G201-L205 WeakPolarHBondContact O-CG 3.3Å; G201-L205 PolarHBondContact O-N 2.98Å
202	I	98.9	Very high	98.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.7	-52.4	175.3	-67.2	164.8	0	0	0	110.6	L198 Q199 H204 L205 F206 L289 I313 L317 L473 V476 T477	L198-I202 HydrophobicContact CD2-CD1 3.87Å; L198-I202 HydrophobicContact CD2-CG1 4.38Å; L198-I202 PolarHBondContact O-N 3.28Å; Q199-I202 PolarHBondContact O-N 3.17Å; I202-H204 PolarHBondContact O-N 3.28Å; I202-L205 PolarHBondContact O-N 3.17Å; I202-F206 VanDerWaalsContact O-CB 3.3Å; I202-F206 WeakPolarHBondContact O-CB 3.27Å; I202-F206 PolarHBondContact O-N 3.5Å; I202-L289 HydrophobicContact CG2-CD1 4.06Å; I202-I313 HydrophobicContact CG1-CG2 4.2Å; I202-I313 HydrophobicContact CG2-CG2 4.33Å; I202-L317 HydrophobicContact CD1-CD1 4.31Å; I202-L317 HydrophobicContact CG1-CD1 3.82Å; I202-L317 HydrophobicContact CG1-CD2 4.25Å; I202-L317 HydrophobicContact CG1-CG 4.46Å; I202-L473 HydrophobicContact CB-CD1 4Å; I202-L473 HydrophobicContact CG2-CD1 3.64Å; I202-V476 HydrophobicContact CD1-CG1 4.12Å; I202-T477 HydrophobicContact CD1-CG2 4.4Å; I202-T477 WeakPolarHBondContact CD1-OG1 3.38Å
203	C	98.9	Very high	98.8	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.115	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-31.5	178.2	-69	0	0	0	0	113.5	Q199 R207 I268 L473	Q199-C203 PolarHBondContact O-N 3.08Å; Q199-C203 VanDerWaalsContact O-N 3.17Å; C203-R207 WeakPolarHBondContact O-CG 3.24Å; C203-R207 PolarHBondContact O-N 3.02Å; C203-I268 HydrophobicContact CB-CD1 4.22Å; C203-L473 VanDerWaalsContact SG-CD1 3.53Å; C203-L473 WeakPolarHBondContact SG-CD2 3.48Å
204	H	98.9	Very high	98.8	Very high	97 Å²	97	38.1 Å²	38.1	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-73.8	-48.6	176.9	175.8	32.9	0	0	0	111.5	S200 G201 I202 F206 R207 E208	S200-H204 WeakPolarHBondContact O-CB 3.44Å; S200-H204 PolarHBondContact O-N 2.88Å; S200-H204 VanDerWaalsContact O-N 3.08Å; G201-H204 PolarHBondContact O-N 2.81Å; G201-H204 VanDerWaalsContact O-N 3.17Å; I202-H204 PolarHBondContact O-N 3.28Å; H204-F206 PolarHBondContact O-N 3.16Å; H204-R207 PolarHBondContact O-N 3.05Å; H204-E208 IonicContact CE1-OE2 3.59Å; H204-E208 PolarHBondContact CE1-OE2 3.31Å; H204-E208 IonicContact NE2-OE2 2.79Å; H204-E208 PolarHBondContact NE2-OE2 3.2Å; H204-E208 VanDerWaalsContact O-CB 3.28Å; H204-E208 WeakPolarHBondContact O-CB 3.24Å; H204-E208 PolarHBondContact O-N 3.37Å
205	L	98.9	Very high	98.8	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-38.1	-179.7	-70.8	165.9	0	0	0	111.9	G201 I202 T209 I313 L317	G201-L205 WeakPolarHBondContact O-CB 3.17Å; G201-L205 VanDerWaalsContact O-CG 3.32Å; G201-L205 WeakPolarHBondContact O-CG 3.3Å; G201-L205 PolarHBondContact O-N 2.98Å; I202-L205 PolarHBondContact O-N 3.17Å; L205-T209 VanDerWaalsContact O-CB 3.24Å; L205-T209 WeakPolarHBondContact O-CB 3.33Å; L205-T209 PolarHBondContact O-N 3.35Å; L205-T209 PolarHBondContact O-OG1 2.97Å; L205-I313 HydrophobicContact CB-CB 4.46Å; L205-I313 HydrophobicContact CB-CG1 3.91Å; L205-L317 HydrophobicContact CD1-CD2 3.93Å; L205-L317 HydrophobicContact CD1-CG 4.03Å
206	F	98.9	Very high	98.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-51.8	171.8	179.5	-89	0	0	0	111.4	I202 H204 L210 F266 I268 L289 I291 T309 I313 I471	I202-F206 VanDerWaalsContact O-CB 3.3Å; I202-F206 WeakPolarHBondContact O-CB 3.27Å; I202-F206 PolarHBondContact O-N 3.5Å; H204-F206 PolarHBondContact O-N 3.16Å; F206-L210 HydrophobicContact CD1-CD1 3.83Å; F206-L210 HydrophobicContact CD2-CD1 4.15Å; F206-L210 HydrophobicContact CE1-CD1 3.46Å; F206-L210 VanDerWaalsContact CE1-CD1 3.46Å; F206-L210 HydrophobicContact CE2-CD1 3.77Å; F206-L210 HydrophobicContact CG-CD1 4.19Å; F206-L210 HydrophobicContact CZ-CD1 3.43Å; F206-L210 VanDerWaalsContact CZ-CD1 3.43Å; F206-L210 WeakPolarHBondContact O-CB 3.32Å; F206-L210 WeakPolarHBondContact O-CG 3.16Å; F206-L210 PolarHBondContact O-N 2.95Å; F206-L210 VanDerWaalsContact O-N 3.1Å; F206-F266 HydrophobicContact CD1-CD2 4.34Å; F206-F266 HydrophobicContact CE1-CB 4.06Å; F206-F266 AromaticContact CE1-CD2 3.71Å; F206-F266 HydrophobicContact CE1-CD2 3.71Å; F206-F266 HydrophobicContact CE1-CE2 4.45Å; F206-F266 HydrophobicContact CE1-CG 4.07Å; F206-F266 HydrophobicContact CZ-CB 4.32Å; F206-I268 HydrophobicContact CD1-CD1 3.76Å; F206-I268 HydrophobicContact CD1-CG1 4.1Å; F206-I268 HydrophobicContact CE1-CD1 4.2Å; F206-I268 HydrophobicContact CE1-CG1 4.02Å; F206-L289 HydrophobicContact CD1-CB 4.39Å; F206-L289 HydrophobicContact CD2-CB 4.06Å; F206-L289 HydrophobicContact CD2-CD1 4.09Å; F206-L289 HydrophobicContact CE1-CB 4Å; F206-L289 HydrophobicContact CE2-CB 3.66Å; F206-L289 HydrophobicContact CE2-CD1 4.48Å; F206-L289 HydrophobicContact CG-CB 4.4Å; F206-L289 HydrophobicContact CG-CD1 4.29Å; F206-L289 HydrophobicContact CZ-CB 3.61Å; F206-I291 HydrophobicContact CE2-CD1 3.72Å; F206-I291 HydrophobicContact CE2-CG1 3.88Å; F206-I291 HydrophobicContact CZ-CD1 4.02Å; F206-I291 HydrophobicContact CZ-CG1 3.64Å; F206-T309 HydrophobicContact CD2-CG2 4.43Å; F206-I313 HydrophobicContact CB-CD1 3.95Å; F206-I313 HydrophobicContact CD2-CD1 4.17Å; F206-I471 HydrophobicContact CD2-CD1 4.41Å; F206-I471 HydrophobicContact CE2-CD1 3.89Å
207	R	98.9	Very high	98.8	Very high	79 Å²	79	43.7 Å²	43.7	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-51.4	176.3	-76.3	-178.2	172.7	104.7	1	112.1	C203 H204 T209 L210 I211 E217 F266 I268	C203-R207 WeakPolarHBondContact O-CG 3.24Å; C203-R207 PolarHBondContact O-N 3.02Å; H204-R207 PolarHBondContact O-N 3.05Å; R207-T209 VanDerWaalsContact C-N 3.34Å; R207-T209 PolarHBondContact O-N 3.21Å; R207-L210 PolarHBondContact O-N 3.49Å; R207-I211 HydrophobicContact CB-CD1 4.3Å; R207-I211 VanDerWaalsContact O-CB 3.3Å; R207-I211 WeakPolarHBondContact O-CB 3.47Å; R207-I211 WeakPolarHBondContact O-CD1 3.42Å; R207-I211 WeakPolarHBondContact O-CG1 3.44Å; R207-I211 PolarHBondContact O-N 3.31Å; R207-E217 IonicContact CZ-OE1 3.55Å; R207-E217 IonicContact NE-OE1 3.22Å; R207-E217 PolarHBondContact NE-OE1 2.97Å; R207-E217 VanDerWaalsContact NE-OE1 3.1Å; R207-E217 IonicContact NE-OE2 3.62Å; R207-E217 PolarHBondContact NE-OE2 2.75Å; R207-E217 IonicContact NH2-OE1 3.07Å; R207-E217 PolarHBondContact NH2-OE1 3.37Å; R207-F266 HydrophobicContact CB-CZ 4.38Å; R207-F266 HydrophobicContact CG-CE2 3.79Å; R207-F266 HydrophobicContact CG-CZ 3.98Å; R207-I268 HydrophobicContact CG-CD1 3.96Å
208	E	98.8	Very high	98.8	Very high	55 Å²	55	40.8 Å²	40.8	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-57	-47.7	-177.8	-175.3	-177.3	165.9	0	0	110.9	H204 N212 R320	H204-E208 IonicContact CE1-OE2 3.59Å; H204-E208 PolarHBondContact CE1-OE2 3.31Å; H204-E208 IonicContact NE2-OE2 2.79Å; H204-E208 PolarHBondContact NE2-OE2 3.2Å; H204-E208 VanDerWaalsContact O-CB 3.28Å; H204-E208 WeakPolarHBondContact O-CB 3.24Å; H204-E208 PolarHBondContact O-N 3.37Å; E208-N212 VanDerWaalsContact O-CB 3.31Å; E208-N212 WeakPolarHBondContact O-CB 3.25Å; E208-N212 PolarHBondContact O-N 2.9Å; E208-N212 PolarHBondContact O-ND2 3.48Å; E208-N212 VanDerWaalsContact O-ND2 3.11Å; E208-R320 IonicContact OE1-CZ 3.16Å; E208-R320 IonicContact OE1-NH1 2.74Å; E208-R320 PolarHBondContact OE1-NH1 3.17Å; E208-R320 IonicContact OE1-NH2 3.39Å; E208-R320 PolarHBondContact OE1-NH2 2.87Å; E208-R320 IonicContact OE2-CZ 2.78Å; E208-R320 IonicContact OE2-NH1 3.21Å; E208-R320 PolarHBondContact OE2-NH1 2.91Å; E208-R320 IonicContact OE2-NH2 2.94Å; E208-R320 PolarHBondContact OE2-NH2 3.47Å
209	T	98.9	Very high	98.8	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.104	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-48.4	179.7	-55.3	0	0	0	0	111.8	L205 R207 N212 K213 T309 Q312	L205-T209 VanDerWaalsContact O-CB 3.24Å; L205-T209 WeakPolarHBondContact O-CB 3.33Å; L205-T209 PolarHBondContact O-N 3.35Å; L205-T209 PolarHBondContact O-OG1 2.97Å; R207-T209 VanDerWaalsContact C-N 3.34Å; R207-T209 PolarHBondContact O-N 3.21Å; T209-N212 PolarHBondContact O-N 3.24Å; T209-K213 HydrophobicContact CG2-CD 4.05Å; T209-K213 WeakPolarHBondContact O-CD 3.4Å; T209-K213 VanDerWaalsContact O-CG 3.29Å; T209-K213 WeakPolarHBondContact O-CG 3.45Å; T209-K213 PolarHBondContact O-N 2.86Å; T209-T309 HydrophobicContact CG2-CG2 4.02Å; T209-Q312 HydrophobicContact CG2-CB 3.96Å; T209-Q312 HydrophobicContact CG2-CG 3.93Å
210	L	98.9	Very high	98.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.5	-39.2	-176.9	-66.8	175.7	0	0	0	112.7	F206 R207 N212 K213 G214 F215 F266 I291 T309	F206-L210 HydrophobicContact CD1-CD1 3.83Å; F206-L210 HydrophobicContact CD2-CD1 4.15Å; F206-L210 HydrophobicContact CE1-CD1 3.46Å; F206-L210 VanDerWaalsContact CE1-CD1 3.46Å; F206-L210 HydrophobicContact CE2-CD1 3.77Å; F206-L210 HydrophobicContact CG-CD1 4.19Å; F206-L210 HydrophobicContact CZ-CD1 3.43Å; F206-L210 VanDerWaalsContact CZ-CD1 3.43Å; F206-L210 WeakPolarHBondContact O-CB 3.32Å; F206-L210 WeakPolarHBondContact O-CG 3.16Å; F206-L210 PolarHBondContact O-N 2.95Å; F206-L210 VanDerWaalsContact O-N 3.1Å; R207-L210 PolarHBondContact O-N 3.49Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.25Å; L210-K213 CarbonylContact O-C 3.27Å; L210-K213 WeakPolarHBondContact O-CA 3.45Å; L210-K213 PolarHBondContact O-N 3.27Å; L210-G214 PolarHBondContact O-N 3.49Å; L210-F215 HydrophobicContact CB-CB 3.96Å; L210-F215 HydrophobicContact CB-CD2 4.08Å; L210-F215 HydrophobicContact CB-CG 4.01Å; L210-F215 HydrophobicContact CD2-CD1 4.3Å; L210-F215 HydrophobicContact CD2-CD2 3.85Å; L210-F215 HydrophobicContact CD2-CE1 4.27Å; L210-F215 HydrophobicContact CD2-CE2 3.75Å; L210-F215 HydrophobicContact CD2-CG 4.13Å; L210-F215 HydrophobicContact CD2-CZ 3.99Å; L210-F215 WeakPolarHBondContact O-CB 3.41Å; L210-F215 VanDerWaalsContact O-CD2 3.29Å; L210-F215 WeakPolarHBondContact O-CD2 3.44Å; L210-F215 PolarHBondContact O-N 3.44Å; L210-F266 HydrophobicContact CB-CD1 3.87Å; L210-F266 HydrophobicContact CB-CE1 4.12Å; L210-F266 HydrophobicContact CD1-CB 3.77Å; L210-F266 HydrophobicContact CD1-CD1 4.03Å; L210-F266 HydrophobicContact CD1-CG 3.91Å; L210-I291 HydrophobicContact CD1-CD1 3.89Å; L210-I291 HydrophobicContact CD1-CG1 3.89Å; L210-I291 HydrophobicContact CD2-CD1 4.1Å; L210-T309 HydrophobicContact CD2-CG2 3.91Å; L210-T309 HydrophobicContact CG-CG2 4.02Å
211	I	98.9	Very high	98.6	Very high	92 Å²	92	46.6 Å²	46.6	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-43.2	174	-67.5	167.1	0	0	0	110	R207 K213 G214 F266	R207-I211 HydrophobicContact CB-CD1 4.3Å; R207-I211 VanDerWaalsContact O-CB 3.3Å; R207-I211 WeakPolarHBondContact O-CB 3.47Å; R207-I211 WeakPolarHBondContact O-CD1 3.42Å; R207-I211 WeakPolarHBondContact O-CG1 3.44Å; R207-I211 PolarHBondContact O-N 3.31Å; I211-K213 PolarHBondContact O-N 3.09Å; I211-G214 PolarHBondContact O-N 2.9Å; I211-F266 HydrophobicContact CD1-CZ 4.29Å; I211-F266 HydrophobicContact CG1-CE1 3.89Å; I211-F266 HydrophobicContact CG1-CZ 4.08Å
212	N	98.8	Very high	98.4	Very high	130 Å²	130	48.7 Å²	48.7	70%	0.695	26%	0.258	S	S	*	.	H	α-helix	trans	-63.3	-22.6	175.7	-70.6	-20.1	0	0	0	113.3	E208 T209 L210	E208-N212 VanDerWaalsContact O-CB 3.31Å; E208-N212 WeakPolarHBondContact O-CB 3.25Å; E208-N212 PolarHBondContact O-N 2.9Å; E208-N212 PolarHBondContact O-ND2 3.48Å; E208-N212 VanDerWaalsContact O-ND2 3.11Å; T209-N212 PolarHBondContact O-N 3.24Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.25Å
213	K	98.8	Very high	98.2	Very high	45 Å²	45	52.7 Å²	52.7	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.1	175.1	-68.7	168.2	169.6	-159.9	0	114.2	T209 L210 I211 F215 K264 E305 D308 T309	T209-K213 HydrophobicContact CG2-CD 4.05Å; T209-K213 WeakPolarHBondContact O-CD 3.4Å; T209-K213 VanDerWaalsContact O-CG 3.29Å; T209-K213 WeakPolarHBondContact O-CG 3.45Å; T209-K213 PolarHBondContact O-N 2.86Å; L210-K213 CarbonylContact O-C 3.27Å; L210-K213 WeakPolarHBondContact O-CA 3.45Å; L210-K213 PolarHBondContact O-N 3.27Å; I211-K213 PolarHBondContact O-N 3.09Å; K213-F215 HydrophobicContact CB-CD2 3.86Å; K213-F215 HydrophobicContact CB-CE2 3.93Å; K213-K264 PolarHBondContact O-NZ 2.98Å; K213-K264 VanDerWaalsContact O-NZ 3.1Å; K213-E305 VanDerWaalsContact CD-OE1 3.24Å; K213-E305 WeakPolarHBondContact CD-OE1 3.49Å; K213-E305 WeakPolarHBondContact CE-OE1 3.11Å; K213-E305 PolarHBondContact NZ-O 3.29Å; K213-E305 IonicContact NZ-OE1 3.57Å; K213-E305 PolarHBondContact NZ-OE1 3.38Å; K213-D308 VanDerWaalsContact CE-OD2 3.27Å; K213-D308 WeakPolarHBondContact CE-OD2 3.37Å; K213-D308 IonicContact NZ-OD2 3.57Å; K213-D308 PolarHBondContact NZ-OD2 3.07Å; K213-T309 PolarHBondContact NZ-OG1 3.17Å
214	G	98.8	Very high	97.7	Very high	55 Å²	55	52.3 Å²	52.3	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	16.1	176.9	0	0	0	0	0	115.6	L210 I211	L210-G214 PolarHBondContact O-N 3.49Å; I211-G214 PolarHBondContact O-N 2.9Å
215	F	98.9	Very high	96.9	Very high	10 Å²	10	52.7 Å²	52.7	4%	0.044	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-78.5	151	176	-70	-111.4	0	0	0	112.7	L210 K213 K264 F266 I291 M293 E305	L210-F215 HydrophobicContact CB-CB 3.96Å; L210-F215 HydrophobicContact CB-CD2 4.08Å; L210-F215 HydrophobicContact CB-CG 4.01Å; L210-F215 HydrophobicContact CD2-CD1 4.3Å; L210-F215 HydrophobicContact CD2-CD2 3.85Å; L210-F215 HydrophobicContact CD2-CE1 4.27Å; L210-F215 HydrophobicContact CD2-CE2 3.75Å; L210-F215 HydrophobicContact CD2-CG 4.13Å; L210-F215 HydrophobicContact CD2-CZ 3.99Å; L210-F215 WeakPolarHBondContact O-CB 3.41Å; L210-F215 VanDerWaalsContact O-CD2 3.29Å; L210-F215 WeakPolarHBondContact O-CD2 3.44Å; L210-F215 PolarHBondContact O-N 3.44Å; K213-F215 HydrophobicContact CB-CD2 3.86Å; K213-F215 HydrophobicContact CB-CE2 3.93Å; F215-K264 WeakPolarHBondContact CA-O 3.19Å; F215-K264 HydrophobicContact CB-CB 4.21Å; F215-K264 HydrophobicContact CD1-CB 3.62Å; F215-K264 HydrophobicContact CD2-CB 4.13Å; F215-K264 HydrophobicContact CD2-CD 3.82Å; F215-K264 HydrophobicContact CE1-CB 3.9Å; F215-K264 HydrophobicContact CE1-CD 4.45Å; F215-K264 HydrophobicContact CE1-CG 4.4Å; F215-K264 HydrophobicContact CE2-CB 4.43Å; F215-K264 HydrophobicContact CE2-CD 3.7Å; F215-K264 HydrophobicContact CE2-CG 4.49Å; F215-K264 HydrophobicContact CG-CB 3.72Å; F215-K264 HydrophobicContact CG-CD 4.29Å; F215-K264 HydrophobicContact CZ-CB 4.31Å; F215-K264 HydrophobicContact CZ-CD 4.03Å; F215-K264 HydrophobicContact CZ-CG 4.39Å; F215-F266 HydrophobicContact CB-CD1 3.76Å; F215-F266 HydrophobicContact CB-CE1 4.29Å; F215-I291 HydrophobicContact CD1-CG2 4.38Å; F215-I291 HydrophobicContact CE1-CG2 3.59Å; F215-I291 HydrophobicContact CZ-CG2 4.24Å; F215-M293 HydrophobicContact CE1-CB 4.11Å; F215-M293 HydrophobicContact CE1-SD 4.37Å; F215-M293 HydrophobicContact CE2-SD 4.38Å; F215-M293 HydrophobicContact CZ-CB 4.32Å; F215-M293 HydrophobicContact CZ-SD 3.68Å; F215-E305 HydrophobicContact CE2-CG 4.16Å; F215-E305 HydrophobicContact CZ-CG 4.03Å
216	V	98.9	Very high	95.8	Very high	66 Å²	66	53.2 Å²	53.2	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.5	176.2	-177.5	0	0	0	0	111	I218 F262 K264 V265 F266	V216-I218 HydrophobicContact CG1-CG2 4.47Å; V216-I218 PolarHBondContact O-N 3.03Å; V216-F262 HydrophobicContact CG1-CD1 4.46Å; V216-K264 PolarHBondContact N-O 3.38Å; V216-V265 WeakPolarHBondContact O-CA 3.23Å; V216-F266 PolarHBondContact O-N 2.99Å
217	E	98.9	Very high	94.4	Very high	69 Å²	69	54.3 Å²	54.3	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.2	171.3	-168.5	162.4	-168.9	0	0	109.9	R207 F266	R207-E217 IonicContact CZ-OE1 3.55Å; R207-E217 IonicContact NE-OE1 3.22Å; R207-E217 PolarHBondContact NE-OE1 2.97Å; R207-E217 VanDerWaalsContact NE-OE1 3.1Å; R207-E217 IonicContact NE-OE2 3.62Å; R207-E217 PolarHBondContact NE-OE2 2.75Å; R207-E217 IonicContact NH2-OE1 3.07Å; R207-E217 PolarHBondContact NH2-OE1 3.37Å; E217-F266 CarbonylContact C-O 3.58Å; E217-F266 WeakPolarHBondContact CA-O 3.44Å; E217-F266 HydrophobicContact CB-CD2 4.35Å; E217-F266 HydrophobicContact CB-CE1 4.01Å; E217-F266 HydrophobicContact CB-CE2 3.65Å; E217-F266 HydrophobicContact CB-CZ 3.46Å; E217-F266 VanDerWaalsContact CB-CZ 3.46Å; E217-F266 HydrophobicContact CG-CD2 4.11Å; E217-F266 HydrophobicContact CG-CE2 3.46Å; E217-F266 VanDerWaalsContact CG-CE2 3.46Å; E217-F266 HydrophobicContact CG-CZ 3.83Å
218	I	98.7	Very high	92.6	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.087	29%	0.29	C	S	.	.			trans	-107.6	152.9	178.4	65.5	170.4	0	0	0	111.8	V216 T220 K254 C257 V265 F266 C267	V216-I218 HydrophobicContact CG1-CG2 4.47Å; V216-I218 PolarHBondContact O-N 3.03Å; I218-T220 HydrophobicContact CD1-CG2 3.78Å; I218-T220 HydrophobicContact CG1-CG2 4.17Å; I218-K254 HydrophobicContact CD1-CB 4.18Å; I218-C257 HydrophobicContact CD1-CB 4.18Å; I218-V265 HydrophobicContact CD1-CB 4Å; I218-V265 HydrophobicContact CD1-CG1 4.44Å; I218-V265 HydrophobicContact CD1-CG2 4.04Å; I218-V265 HydrophobicContact CG1-CB 4.3Å; I218-V265 HydrophobicContact CG2-CB 4.06Å; I218-V265 HydrophobicContact CG2-CG1 3.79Å; I218-F266 WeakPolarHBondContact CG1-O 3.45Å; I218-F266 PolarHBondContact N-O 3.33Å; I218-C267 HydrophobicContact CG1-CB 3.98Å; I218-C267 WeakPolarHBondContact O-CB 3.48Å
219	Q	98.5	Very high	90.9	Very high	146 Å²	146	50.4 Å²	50.4	68%	0.682	29%	0.288	S	S	*	.			trans	-119.3	101.2	178.9	-61.2	-58.9	-31.5	0	0	110
220	T	96.2	Very high	88.8	Confident	12 Å²	12	52 Å²	52	7%	0.074	31%	0.308	C	S	.	.			trans	-96.6	142.6	-174.1	55.7	0	0	0	0	111.8	I218 K222 P250 Y253	I218-T220 HydrophobicContact CD1-CG2 3.78Å; I218-T220 HydrophobicContact CG1-CG2 4.17Å; T220-K222 VanDerWaalsContact O-CE 3.22Å; T220-K222 WeakPolarHBondContact O-CE 3.33Å; T220-K222 PolarHBondContact O-NZ 3.38Å; T220-K222 PolarHBondContact OG1-NZ 2.73Å; T220-P250 WeakPolarHBondContact OG1-CB 3.13Å; T220-Y253 HydrophobicContact CG2-CG 4.38Å
221	P	95.6	Very high	86.9	Confident	66 Å²	66	53.7 Å²	53.7	43%	0.429	33%	0.325	S	S	.	.			trans	-65.5	143.3	-179.9	29.5	-35.5	0	0	0	111	Y253	P221-Y253 HydrophobicContact CG-CD1 4.25Å; P221-Y253 HydrophobicContact CG-CD2 4.16Å; P221-Y253 HydrophobicContact CG-CE1 3.78Å; P221-Y253 HydrophobicContact CG-CE2 3.67Å; P221-Y253 HydrophobicContact CG-CG 4.43Å; P221-Y253 VanDerWaalsContact CG-CZ 3.47Å
222	K	95.3	Very high	84.9	Confident	44 Å²	44	53.9 Å²	53.9	19%	0.191	34%	0.34	C	S	.	.	S	Bend	trans	-103.1	-8.4	-179	-50.5	-55.1	177.6	-168.1	0	113.4	T220 L246 A247 P270 F272	T220-K222 VanDerWaalsContact O-CE 3.22Å; T220-K222 WeakPolarHBondContact O-CE 3.33Å; T220-K222 PolarHBondContact O-NZ 3.38Å; T220-K222 PolarHBondContact OG1-NZ 2.73Å; K222-L246 WeakPolarHBondContact O-CA 3.37Å; K222-A247 PolarHBondContact O-N 2.8Å; K222-P270 HydrophobicContact CG-CG 4.17Å; K222-F272 HydrophobicContact CB-CE2 4.28Å
223	I	94.1	Very high	83.8	Confident	85 Å²	85	51.5 Å²	51.5	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.7	170.7	-61.3	174.1	0	0	0	107.1	V237 Y239 A244 Y245 L246	I223-V237 HydrophobicContact CG2-CG2 4.39Å; I223-Y239 HydrophobicContact CG2-CD2 4.24Å; I223-Y239 HydrophobicContact CG2-CE2 4.47Å; I223-A244 HydrophobicContact CG2-CB 3.48Å; I223-A244 VanDerWaalsContact CG2-CB 3.48Å; I223-Y245 CarbonylContact C-O 3.51Å; I223-Y245 WeakPolarHBondContact CA-O 3.24Å; I223-L246 HydrophobicContact CG1-CD2 4.17Å
224	I	88.9	Confident	83.2	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.6	-172.5	61.1	177.6	0	0	0	111.6	A226 Y245 A247 Y253	I224-A226 WeakPolarHBondContact CD1-O 3.37Å; I224-A226 VanDerWaalsContact CG1-O 3.26Å; I224-A226 WeakPolarHBondContact CG1-O 2.96Å; I224-Y245 WeakPolarHBondContact CG1-O 3.34Å; I224-Y245 PolarHBondContact N-O 3.45Å; I224-Y245 PolarHBondContact O-N 3.14Å; I224-A247 HydrophobicContact CD1-CB 4.07Å; I224-A247 HydrophobicContact CG2-CB 4.18Å; I224-Y253 HydrophobicContact CG2-CE2 3.64Å
225	S	82.9	Confident	82.9	Confident	105 Å²	105	51.5 Å²	51.5	73%	0.734	31%	0.314	S	S	*	.	S	Bend	trans	-78.3	-16.7	-175.6	52.1	0	0	0	0	114.6
226	A	74.8	Confident	82.5	Confident	14 Å²	14	54.9 Å²	54.9	12%	0.116	34%	0.336	C	S	.	.	S	Bend	trans	-150.8	160.2	178.7	0	0	0	0	0	110.7	I224 S228 K451	I224-A226 WeakPolarHBondContact CD1-O 3.37Å; I224-A226 VanDerWaalsContact CG1-O 3.26Å; I224-A226 WeakPolarHBondContact CG1-O 2.96Å; A226-S228 PolarHBondContact O-N 3.46Å; A226-K451 HydrophobicContact CB-CB 3.82Å; A226-K451 HydrophobicContact CB-CG 4.25Å
227	A	70	Confident	82.3	Confident	24 Å²	24	53.9 Å²	53.9	20%	0.198	33%	0.329	C	S	.	.			trans	-61.5	127.3	176.2	0	0	0	0	0	111.6	E229 V234	A227-E229 PolarHBondContact O-N 2.86Å; A227-V234 HydrophobicContact CB-CG1 3.75Å; A227-V234 HydrophobicContact CB-CG2 4.06Å
228	S	61.3	Low	82.1	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.028	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.3	-172.4	46.8	0	0	0	0	114.7	A226	A226-S228 PolarHBondContact O-N 3.46Å
229	E	64.1	Low	81.8	Confident	48 Å²	48	60.3 Å²	60.3	22%	0.224	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	18.6	-173.1	-59.4	177.5	178.1	0	0	112.5	A227 G231 S249 R273	A227-E229 PolarHBondContact O-N 2.86Å; E229-G231 PolarHBondContact O-N 3.38Å; E229-S249 VanDerWaalsContact OE1-CB 3.31Å; E229-S249 WeakPolarHBondContact OE1-CB 3.24Å; E229-S249 PolarHBondContact OE1-OG 3.19Å; E229-R273 IonicContact OE1-NH2 3.79Å; E229-R273 IonicContact OE2-CZ 3.43Å; E229-R273 IonicContact OE2-NH1 2.74Å; E229-R273 PolarHBondContact OE2-NH1 3.4Å; E229-R273 IonicContact OE2-NH2 3.89Å; E229-R273 PolarHBondContact OE2-NH2 3.27Å; E229-R273 VanDerWaalsContact OE2-NH2 3.11Å
230	G	54.8	Low	81.6	Confident	51 Å²	51	62 Å²	62	53%	0.526	37%	0.372	S	S	.	.	S	Bend	trans	71.6	-13	175.3	0	0	0	0	0	116.5
231	G	58.9	Low	81.5	Confident	35 Å²	35	71.2 Å²	71.2	36%	0.361	41%	0.411	S	S	.	.			trans	-72.1	153.2	-179.7	0	0	0	0	0	114.8	E229 N233	E229-G231 PolarHBondContact O-N 3.38Å; G231-N233 PolarHBondContact O-N 3.1Å
232	A	56.5	Low	81.3	Confident	95 Å²	95	73.4 Å²	73.4	79%	0.785	42%	0.42	S	S	*	.	S	Bend	trans	-71.4	-17.3	175.2	0	0	0	0	0	113.8	V234	A232-V234 VanDerWaalsContact C-N 3.34Å; A232-V234 PolarHBondContact O-N 3.41Å; A232-V234 VanDerWaalsContact O-N 3.1Å
233	N	75.9	Confident	81	Confident	81 Å²	81	76.4 Å²	76.4	43%	0.433	44%	0.438	S	S	.	.			trans	-90.1	63.1	-171.1	-62.4	-13.7	0	0	0	111.9	G231 Q248 A274 E275	G231-N233 PolarHBondContact O-N 3.1Å; N233-Q248 PolarHBondContact O-NE2 3.03Å; N233-A274 WeakPolarHBondContact O-CB 3.4Å; N233-A274 PolarHBondContact O-N 3.06Å; N233-E275 HydrophobicContact CB-CG 4.02Å
234	V	85.9	Confident	80.9	Confident	20 Å²	20	72.5 Å²	72.5	12%	0.121	42%	0.418	C	S	.	.			trans	-117.7	137.9	173.4	-71.1	0	0	0	0	111.9	A227 A232 T236 Y245 Q248	A227-V234 HydrophobicContact CB-CG1 3.75Å; A227-V234 HydrophobicContact CB-CG2 4.06Å; A232-V234 VanDerWaalsContact C-N 3.34Å; A232-V234 PolarHBondContact O-N 3.41Å; A232-V234 VanDerWaalsContact O-N 3.1Å; V234-T236 PolarHBondContact O-N 3.12Å; V234-Y245 HydrophobicContact CB-CD1 4.3Å; V234-Y245 HydrophobicContact CG2-CD1 3.56Å; V234-Y245 HydrophobicContact CG2-CE1 4.13Å; V234-Y245 HydrophobicContact CG2-CG 4.25Å; V234-Q248 VanDerWaalsContact CG1-CD 3.43Å; V234-Q248 HydrophobicContact CG1-CG 3.79Å
235	F	91.5	Very high	81	Confident	79 Å²	79	74.9 Å²	74.9	35%	0.346	43%	0.427	S	S	.	.			trans	-68.4	120.7	171.3	-71.1	-70.9	0	0	0	109.7	Y245 L246 F272 A274 T284	F235-Y245 CarbonylContact O-C 3.56Å; F235-Y245 VanDerWaalsContact O-CA 3.24Å; F235-Y245 WeakPolarHBondContact O-CA 3.26Å; F235-L246 HydrophobicContact CB-CB 4.16Å; F235-L246 HydrophobicContact CB-CD1 3.92Å; F235-L246 HydrophobicContact CB-CG 4.08Å; F235-L246 HydrophobicContact CD2-CD1 4.48Å; F235-L246 HydrophobicContact CG-CD1 4.45Å; F235-L246 PolarHBondContact O-N 3.35Å; F235-F272 HydrophobicContact CD2-CB 4.05Å; F235-F272 HydrophobicContact CE2-CB 4.45Å; F235-A274 HydrophobicContact CD1-CB 3.97Å; F235-A274 HydrophobicContact CD2-CB 3.6Å; F235-A274 HydrophobicContact CE1-CB 3.94Å; F235-A274 HydrophobicContact CE2-CB 3.58Å; F235-A274 HydrophobicContact CG-CB 3.81Å; F235-A274 HydrophobicContact CZ-CB 3.74Å; F235-T284 HydrophobicContact CZ-CG2 4.29Å
236	T	92	Very high	81.5	Confident	82 Å²	82	71.3 Å²	71.3	50%	0.503	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.2	174.6	-55.4	0	0	0	0	109.7	V234 N243 Y245	V234-T236 PolarHBondContact O-N 3.12Å; T236-N243 HydrophobicContact CG2-CB 4.11Å; T236-Y245 HydrophobicContact CG2-CD1 4.33Å; T236-Y245 HydrophobicContact CG2-CE1 3.99Å; T236-Y245 WeakPolarHBondContact OG1-CE1 3.48Å
237	V	93.1	Very high	82.3	Confident	44 Å²	44	70.9 Å²	70.9	27%	0.267	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144	176.3	-61.9	0	0	0	0	110.5	I223 Y239 A244 L246	I223-V237 HydrophobicContact CG2-CG2 4.39Å; V237-Y239 PolarHBondContact O-N 2.75Å; V237-A244 HydrophobicContact CG2-CB 4.02Å; V237-A244 PolarHBondContact N-O 3.44Å; V237-A244 PolarHBondContact O-N 2.85Å; V237-L246 HydrophobicContact CG1-CD2 4.18Å; V237-L246 HydrophobicContact CG1-CG 4.11Å
238	S	94.7	Very high	83.2	Confident	108 Å²	108	70 Å²	70	76%	0.755	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.4	173.6	-178.2	0	0	0	0	109.9
239	Y	93.4	Very high	84.5	Confident	113 Å²	113	70.6 Å²	70.6	44%	0.443	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	81.8	-178.1	-165.1	-99.6	0	0	0	110.5	I223 V237 K241 N242 A244	I223-Y239 HydrophobicContact CG2-CD2 4.24Å; I223-Y239 HydrophobicContact CG2-CE2 4.47Å; V237-Y239 PolarHBondContact O-N 2.75Å; Y239-K241 PolarHBondContact O-N 3.26Å; Y239-N242 CarbonylContact C-O 3.47Å; Y239-N242 WeakPolarHBondContact CA-O 3.48Å; Y239-N242 PolarHBondContact N-O 2.94Å; Y239-N242 PolarHBondContact O-N 2.91Å; Y239-N242 VanDerWaalsContact O-O 3.1Å; Y239-A244 HydrophobicContact CD2-CB 4.46Å; Y239-A244 HydrophobicContact CG-CB 4.09Å
240	F	94.7	Very high	85.9	Confident	181 Å²	181	68.4 Å²	68.4	79%	0.794	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-96.5	-173.5	-56.9	-87.2	0	0	0	113.2
241	K	93.6	Very high	87.8	Confident	206 Å²	206	66.4 Å²	66.4	90%	0.896	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.2	179	-67.1	-177.1	176.9	179.9	0	112.9	Y239	Y239-K241 PolarHBondContact O-N 3.26Å
242	N	89.9	Confident	89.4	Confident	113 Å²	113	66 Å²	66	60%	0.604	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	167.6	-176.8	-61.4	-34.6	0	0	0	109.8	Y239	Y239-N242 CarbonylContact C-O 3.47Å; Y239-N242 WeakPolarHBondContact CA-O 3.48Å; Y239-N242 PolarHBondContact N-O 2.94Å; Y239-N242 PolarHBondContact O-N 2.91Å; Y239-N242 VanDerWaalsContact O-O 3.1Å
243	N	90.1	Very high	91.3	Very high	106 Å²	106	64.6 Å²	64.6	57%	0.567	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	148.6	163.5	-64.7	-24.2	0	0	0	109.4	T236	T236-N243 HydrophobicContact CG2-CB 4.11Å
244	A	91.4	Very high	92.3	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.033	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	173.9	161.8	0	0	0	0	0	109.1	I223 V237 Y239	I223-A244 HydrophobicContact CG2-CB 3.48Å; I223-A244 VanDerWaalsContact CG2-CB 3.48Å; V237-A244 HydrophobicContact CG2-CB 4.02Å; V237-A244 PolarHBondContact N-O 3.44Å; V237-A244 PolarHBondContact O-N 2.85Å; Y239-A244 HydrophobicContact CD2-CB 4.46Å; Y239-A244 HydrophobicContact CG-CB 4.09Å
245	Y	91.3	Very high	92.9	Very high	59 Å²	59	60 Å²	60	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.8	-174.8	-53.1	-84.6	0	0	0	110.6	I223 I224 V234 F235 T236	I223-Y245 CarbonylContact C-O 3.51Å; I223-Y245 WeakPolarHBondContact CA-O 3.24Å; I224-Y245 WeakPolarHBondContact CG1-O 3.34Å; I224-Y245 PolarHBondContact N-O 3.45Å; I224-Y245 PolarHBondContact O-N 3.14Å; V234-Y245 HydrophobicContact CB-CD1 4.3Å; V234-Y245 HydrophobicContact CG2-CD1 3.56Å; V234-Y245 HydrophobicContact CG2-CE1 4.13Å; V234-Y245 HydrophobicContact CG2-CG 4.25Å; F235-Y245 CarbonylContact O-C 3.56Å; F235-Y245 VanDerWaalsContact O-CA 3.24Å; F235-Y245 WeakPolarHBondContact O-CA 3.26Å; T236-Y245 HydrophobicContact CG2-CD1 4.33Å; T236-Y245 HydrophobicContact CG2-CE1 3.99Å; T236-Y245 WeakPolarHBondContact OG1-CE1 3.48Å
246	L	93.4	Very high	93.2	Very high	31 Å²	31	59.1 Å²	59.1	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.7	169.1	-59.4	-178	0	0	0	110.8	K222 I223 F235 V237 Q248 F272	K222-L246 WeakPolarHBondContact O-CA 3.37Å; I223-L246 HydrophobicContact CG1-CD2 4.17Å; F235-L246 HydrophobicContact CB-CB 4.16Å; F235-L246 HydrophobicContact CB-CD1 3.92Å; F235-L246 HydrophobicContact CB-CG 4.08Å; F235-L246 HydrophobicContact CD2-CD1 4.48Å; F235-L246 HydrophobicContact CG-CD1 4.45Å; F235-L246 PolarHBondContact O-N 3.35Å; V237-L246 HydrophobicContact CG1-CD2 4.18Å; V237-L246 HydrophobicContact CG1-CG 4.11Å; L246-Q248 PolarHBondContact O-N 3.16Å; L246-F272 HydrophobicContact CB-CB 4.01Å; L246-F272 HydrophobicContact CB-CD1 4.46Å; L246-F272 HydrophobicContact CB-CD2 3.75Å; L246-F272 HydrophobicContact CB-CE2 4.34Å; L246-F272 HydrophobicContact CB-CG 3.82Å; L246-F272 HydrophobicContact CD1-CD1 3.75Å; L246-F272 HydrophobicContact CD1-CD2 4.33Å; L246-F272 HydrophobicContact CD1-CE1 3.89Å; L246-F272 HydrophobicContact CD1-CE2 4.45Å; L246-F272 HydrophobicContact CD1-CG 3.98Å; L246-F272 HydrophobicContact CD1-CZ 4.24Å
247	A	91.1	Very high	93.5	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.033	28%	0.28	C	S	.	.			trans	-72	124.9	-175.9	0	0	0	0	0	112.8	K222 I224 S249 F272	K222-A247 PolarHBondContact O-N 2.8Å; I224-A247 HydrophobicContact CD1-CB 4.07Å; I224-A247 HydrophobicContact CG2-CB 4.18Å; A247-S249 PolarHBondContact O-N 3.15Å; A247-F272 PolarHBondContact O-N 2.82Å
248	Q	89.7	Confident	93.7	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.028	27%	0.268	C	S	.	.	S	Bend	trans	-75.2	-15.4	176.4	-63.9	173.5	-61.1	0	0	113.8	N233 V234 L246 V271 F272 R273	N233-Q248 PolarHBondContact O-NE2 3.03Å; V234-Q248 VanDerWaalsContact CG1-CD 3.43Å; V234-Q248 HydrophobicContact CG1-CG 3.79Å; L246-Q248 PolarHBondContact O-N 3.16Å; Q248-V271 WeakPolarHBondContact O-CG1 3.34Å; Q248-F272 WeakPolarHBondContact CA-O 3.37Å; Q248-R273 PolarHBondContact O-NH2 3.27Å
249	S	89.2	Confident	93.9	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.112	24%	0.241	C	C	.	.			trans	-167.4	159.7	172.5	61.8	0	0	0	0	108	E229 A247 Q251	E229-S249 VanDerWaalsContact OE1-CB 3.31Å; E229-S249 WeakPolarHBondContact OE1-CB 3.24Å; E229-S249 PolarHBondContact OE1-OG 3.19Å; A247-S249 PolarHBondContact O-N 3.15Å; S249-Q251 PolarHBondContact O-N 3.34Å; S249-Q251 WeakPolarHBondContact OG-CB 3.47Å; S249-Q251 PolarHBondContact OG-N 2.88Å
250	P	93.8	Very high	94.2	Very high	3 Å²	3	48 Å²	48	2%	0.019	24%	0.242	C	C	.	.	S	Bend	trans	-78	11.8	169	34.1	-35	0	0	0	112.8	T220 L252 Y253 K254 D290	T220-P250 WeakPolarHBondContact OG1-CB 3.13Å; P250-L252 PolarHBondContact O-N 3.33Å; P250-Y253 PolarHBondContact O-N 2.9Å; P250-K254 PolarHBondContact O-N 3.4Å; P250-D290 WeakPolarHBondContact CD-OD2 3.49Å; P250-D290 HydrophobicContact CG-CB 3.71Å; P250-D290 WeakPolarHBondContact CG-OD2 3.42Å
251	Q	93.1	Very high	94.4	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-39.8	-165	-173.9	59.2	56.5	0	0	114.5	S249 Q255 E292 Y402 R431	S249-Q251 PolarHBondContact O-N 3.34Å; S249-Q251 WeakPolarHBondContact OG-CB 3.47Å; S249-Q251 PolarHBondContact OG-N 2.88Å; Q251-Q255 WeakPolarHBondContact O-CG 3.27Å; Q251-Q255 PolarHBondContact O-NE2 3.23Å; Q251-E292 PolarHBondContact NE2-OE2 2.86Å; Q251-E292 VanDerWaalsContact NE2-OE2 3.16Å; Q251-Y402 HydrophobicContact CG-CE1 3.97Å; Q251-Y402 HydrophobicContact CG-CE2 4.22Å; Q251-R431 VanDerWaalsContact NE2-CZ 3.32Å; Q251-R431 VanDerWaalsContact NE2-NE 3.18Å; Q251-R431 VanDerWaalsContact OE1-NH2 3.14Å
252	L	92.6	Very high	94.6	Very high	26 Å²	26	41.3 Å²	41.3	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-68.2	-46.1	177.6	-55.3	-174.4	0	0	0	111.1	P250 Q255 M256 Y455	P250-L252 PolarHBondContact O-N 3.33Å; L252-Q255 PolarHBondContact O-N 2.88Å; L252-M256 VanDerWaalsContact O-CG 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.45Å; L252-M256 PolarHBondContact O-N 3.42Å; L252-Y455 HydrophobicContact CB-CD2 3.84Å; L252-Y455 HydrophobicContact CB-CE2 4.17Å; L252-Y455 HydrophobicContact CB-CG 4.48Å; L252-Y455 HydrophobicContact CD2-CD1 4.03Å; L252-Y455 HydrophobicContact CD2-CD2 3.67Å; L252-Y455 HydrophobicContact CD2-CE1 3.94Å; L252-Y455 HydrophobicContact CD2-CE2 3.55Å; L252-Y455 HydrophobicContact CD2-CG 3.88Å; L252-Y455 HydrophobicContact CG-CD2 4.25Å; L252-Y455 HydrophobicContact CG-CE2 4.45Å
253	Y	96.2	Very high	95	Very high	66 Å²	66	42.8 Å²	42.8	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-71.4	-35.8	-176.1	-66.9	-70.6	0	0	0	113.7	T220 P221 I224 P250 Q255 M256 C257	T220-Y253 HydrophobicContact CG2-CG 4.38Å; P221-Y253 HydrophobicContact CG-CD1 4.25Å; P221-Y253 HydrophobicContact CG-CD2 4.16Å; P221-Y253 HydrophobicContact CG-CE1 3.78Å; P221-Y253 HydrophobicContact CG-CE2 3.67Å; P221-Y253 HydrophobicContact CG-CG 4.43Å; P221-Y253 VanDerWaalsContact CG-CZ 3.47Å; I224-Y253 HydrophobicContact CG2-CE2 3.64Å; P250-Y253 PolarHBondContact O-N 2.9Å; Y253-Q255 VanDerWaalsContact C-N 3.34Å; Y253-M256 HydrophobicContact CD1-SD 4.3Å; Y253-M256 PolarHBondContact O-N 2.91Å; Y253-C257 PolarHBondContact O-N 3.34Å; Y253-C257 PolarHBondContact O-SG 3.02Å
254	K	97.1	Very high	95.4	Very high	3 Å²	3	40 Å²	40	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-38.6	177.1	64.8	-174.4	-176.7	158.4	0	111.8	I218 P250 C257 I258 V265 D290 I291 E292 G469	I218-K254 HydrophobicContact CD1-CB 4.18Å; P250-K254 PolarHBondContact O-N 3.4Å; K254-C257 WeakPolarHBondContact O-CB 3.42Å; K254-C257 PolarHBondContact O-N 3.29Å; K254-I258 PolarHBondContact O-N 2.94Å; K254-I258 VanDerWaalsContact O-N 3.14Å; K254-V265 HydrophobicContact CB-CG2 4.22Å; K254-D290 HydrophobicContact CD-CB 4.12Å; K254-D290 VanDerWaalsContact CE-OD1 3.29Å; K254-D290 WeakPolarHBondContact CE-OD1 3.3Å; K254-D290 IonicContact NZ-OD1 3.99Å; K254-D290 PolarHBondContact NZ-OD1 3.42Å; K254-I291 PolarHBondContact NZ-O 2.84Å; K254-E292 HydrophobicContact CB-CB 4.05Å; K254-E292 HydrophobicContact CD-CB 3.97Å; K254-E292 WeakPolarHBondContact CE-OE2 3.44Å; K254-E292 HydrophobicContact CG-CB 3.9Å; K254-E292 HydrophobicContact CG-CG 4.25Å; K254-E292 IonicContact NZ-OE2 3.96Å; K254-E292 PolarHBondContact NZ-OE2 2.85Å; K254-G469 PolarHBondContact NZ-O 3.05Å; K254-G469 VanDerWaalsContact NZ-O 3.13Å
255	Q	98.1	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-40.6	171.2	-67.7	174.5	88.2	0	0	112.7	Q251 L252 Y253 C257 I258 C259 E292 R431 Y455 F459 H466	Q251-Q255 WeakPolarHBondContact O-CG 3.27Å; Q251-Q255 PolarHBondContact O-NE2 3.23Å; L252-Q255 PolarHBondContact O-N 2.88Å; Y253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-C257 PolarHBondContact O-N 3.16Å; Q255-I258 WeakPolarHBondContact O-CB 3.35Å; Q255-I258 PolarHBondContact O-N 3.43Å; Q255-C259 PolarHBondContact O-N 2.92Å; Q255-C259 PolarHBondContact O-SG 2.97Å; Q255-C259 VanDerWaalsContact O-SG 3.39Å; Q255-E292 HydrophobicContact CG-CG 4.29Å; Q255-R431 HydrophobicContact CG-CG 4.16Å; Q255-R431 VanDerWaalsContact OE1-CB 3.27Å; Q255-R431 VanDerWaalsContact OE1-CG 3.3Å; Q255-Y455 HydrophobicContact CB-CE2 4.23Å; Q255-Y455 VanDerWaalsContact CD-OH 3.3Å; Q255-Y455 PolarHBondContact NE2-OH 3.42Å; Q255-Y455 PolarHBondContact OE1-OH 3.36Å; Q255-F459 HydrophobicContact CB-CZ 4.2Å; Q255-H466 PolarHBondContact OE1-NE2 3.22Å
256	M	97.9	Very high	96.1	Very high	62 Å²	62	37.1 Å²	37.1	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-27.8	173.6	-69.4	173.2	73.4	0	0	112.8	L252 Y253 A260 Y455	L252-M256 VanDerWaalsContact O-CG 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.45Å; L252-M256 PolarHBondContact O-N 3.42Å; Y253-M256 HydrophobicContact CD1-SD 4.3Å; Y253-M256 PolarHBondContact O-N 2.91Å; M256-A260 WeakPolarHBondContact O-CB 3.19Å; M256-A260 PolarHBondContact O-N 3.39Å; M256-Y455 HydrophobicContact CG-CD2 4.36Å
257	C	98.6	Very high	96.4	Very high	27 Å²	27	35.8 Å²	35.8	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-72	-39.6	171.1	-62.8	0	0	0	0	111.8	I218 Y253 K254 Q255 C259 A260 F262 V265	I218-C257 HydrophobicContact CD1-CB 4.18Å; Y253-C257 PolarHBondContact O-N 3.34Å; Y253-C257 PolarHBondContact O-SG 3.02Å; K254-C257 WeakPolarHBondContact O-CB 3.42Å; K254-C257 PolarHBondContact O-N 3.29Å; Q255-C257 PolarHBondContact O-N 3.16Å; C257-C259 VanDerWaalsContact C-N 3.32Å; C257-C259 PolarHBondContact O-N 3.33Å; C257-A260 CarbonylContact O-C 3.58Å; C257-A260 WeakPolarHBondContact O-CA 3.26Å; C257-A260 PolarHBondContact O-N 3.07Å; C257-F262 HydrophobicContact CB-CB 4.33Å; C257-F262 HydrophobicContact CB-CD2 4.2Å; C257-F262 WeakPolarHBondContact O-CB 3.48Å; C257-F262 PolarHBondContact O-N 3.1Å; C257-F262 VanDerWaalsContact O-N 3.16Å; C257-V265 HydrophobicContact CB-CG1 4.15Å
258	I	98.8	Very high	96.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-44.8	171.5	-58.9	-52.4	0	0	0	110.9	K254 Q255 A260 D261 F262 V265 E292 A294 P464 H466	K254-I258 PolarHBondContact O-N 2.94Å; K254-I258 VanDerWaalsContact O-N 3.14Å; Q255-I258 WeakPolarHBondContact O-CB 3.35Å; Q255-I258 PolarHBondContact O-N 3.43Å; I258-A260 PolarHBondContact O-N 3.11Å; I258-A260 VanDerWaalsContact O-N 3.15Å; I258-D261 PolarHBondContact O-N 3.31Å; I258-F262 WeakPolarHBondContact CD1-O 3.46Å; I258-V265 HydrophobicContact CD1-CG2 3.98Å; I258-E292 HydrophobicContact CD1-CB 4.28Å; I258-E292 HydrophobicContact CD1-CG 4.4Å; I258-E292 HydrophobicContact CG1-CB 4.2Å; I258-E292 HydrophobicContact CG1-CG 3.86Å; I258-A294 HydrophobicContact CG2-CB 4.19Å; I258-P464 HydrophobicContact CG2-CG 3.64Å; I258-H466 HydrophobicContact CG1-CB 4.39Å; I258-H466 HydrophobicContact CG2-CB 3.81Å
259	C	98.5	Very high	97.1	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.3	175.2	-58.9	0	0	0	0	114	Q255 C257	Q255-C259 PolarHBondContact O-N 2.92Å; Q255-C259 PolarHBondContact O-SG 2.97Å; Q255-C259 VanDerWaalsContact O-SG 3.39Å; C257-C259 VanDerWaalsContact C-N 3.32Å; C257-C259 PolarHBondContact O-N 3.33Å
260	A	98.6	Very high	97.5	Very high	55 Å²	55	38.3 Å²	38.3	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	36	176.2	0	0	0	0	0	111.2	M256 C257 I258 F262	M256-A260 WeakPolarHBondContact O-CB 3.19Å; M256-A260 PolarHBondContact O-N 3.39Å; C257-A260 CarbonylContact O-C 3.58Å; C257-A260 WeakPolarHBondContact O-CA 3.26Å; C257-A260 PolarHBondContact O-N 3.07Å; I258-A260 PolarHBondContact O-N 3.11Å; I258-A260 VanDerWaalsContact O-N 3.15Å; A260-F262 HydrophobicContact CB-CD2 4.41Å; A260-F262 WeakPolarHBondContact O-CD2 3.44Å; A260-F262 PolarHBondContact O-N 3.48Å; A260-F262 VanDerWaalsContact O-N 3.14Å
261	D	98.6	Very high	97.6	Very high	151 Å²	151	38.5 Å²	38.5	81%	0.807	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	11	176	-55.6	-21.8	0	0	0	116.4	I258 E263	I258-D261 PolarHBondContact O-N 3.31Å; D261-E263 PolarHBondContact O-N 2.93Å; D261-E263 VanDerWaalsContact O-N 3.09Å
262	F	98.6	Very high	97.7	Very high	96 Å²	96	39.2 Å²	39.2	42%	0.421	21%	0.208	S	C	.	.			trans	-80.8	86.2	168.5	-65.3	-83.4	0	0	0	110.2	V216 C257 I258 A260 K264 V265	V216-F262 HydrophobicContact CG1-CD1 4.46Å; C257-F262 HydrophobicContact CB-CB 4.33Å; C257-F262 HydrophobicContact CB-CD2 4.2Å; C257-F262 WeakPolarHBondContact O-CB 3.48Å; C257-F262 PolarHBondContact O-N 3.1Å; C257-F262 VanDerWaalsContact O-N 3.16Å; I258-F262 WeakPolarHBondContact CD1-O 3.46Å; A260-F262 HydrophobicContact CB-CD2 4.41Å; A260-F262 WeakPolarHBondContact O-CD2 3.44Å; A260-F262 PolarHBondContact O-N 3.48Å; A260-F262 VanDerWaalsContact O-N 3.14Å; F262-K264 PolarHBondContact O-N 3.05Å; F262-K264 VanDerWaalsContact O-N 3.07Å; F262-V265 HydrophobicContact CB-CG1 3.49Å; F262-V265 VanDerWaalsContact CB-CG1 3.49Å; F262-V265 HydrophobicContact CG-CG1 4.33Å
263	E	98.4	Very high	97.6	Very high	143 Å²	143	41.3 Å²	41.3	67%	0.668	22%	0.215	S	C	*	.	S	Bend	trans	-49.6	-37.1	-175.4	-61.5	-178	164.5	0	0	114.7	D261 M293 A294	D261-E263 PolarHBondContact O-N 2.93Å; D261-E263 VanDerWaalsContact O-N 3.09Å; E263-M293 WeakPolarHBondContact O-CA 3.23Å; E263-A294 PolarHBondContact O-N 2.9Å
264	K	98.9	Very high	97.1	Very high	48 Å²	48	39.4 Å²	39.4	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	114.2	-173.4	-64.8	-166.1	-179.1	-163.7	0	110.4	K213 F215 V216 F262 M293 E305	K213-K264 PolarHBondContact O-NZ 2.98Å; K213-K264 VanDerWaalsContact O-NZ 3.1Å; F215-K264 WeakPolarHBondContact CA-O 3.19Å; F215-K264 HydrophobicContact CB-CB 4.21Å; F215-K264 HydrophobicContact CD1-CB 3.62Å; F215-K264 HydrophobicContact CD2-CB 4.13Å; F215-K264 HydrophobicContact CD2-CD 3.82Å; F215-K264 HydrophobicContact CE1-CB 3.9Å; F215-K264 HydrophobicContact CE1-CD 4.45Å; F215-K264 HydrophobicContact CE1-CG 4.4Å; F215-K264 HydrophobicContact CE2-CB 4.43Å; F215-K264 HydrophobicContact CE2-CD 3.7Å; F215-K264 HydrophobicContact CE2-CG 4.49Å; F215-K264 HydrophobicContact CG-CB 3.72Å; F215-K264 HydrophobicContact CG-CD 4.29Å; F215-K264 HydrophobicContact CZ-CB 4.31Å; F215-K264 HydrophobicContact CZ-CD 4.03Å; F215-K264 HydrophobicContact CZ-CG 4.39Å; V216-K264 PolarHBondContact N-O 3.38Å; F262-K264 PolarHBondContact O-N 3.05Å; F262-K264 VanDerWaalsContact O-N 3.07Å; K264-M293 HydrophobicContact CD-SD 3.97Å; K264-M293 HydrophobicContact CG-CG 4.01Å; K264-M293 HydrophobicContact CG-SD 4.03Å; K264-E305 IonicContact NZ-OE2 2.74Å; K264-E305 PolarHBondContact NZ-OE2 2.67Å
265	V	98.9	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148	-178.4	-62.3	0	0	0	0	113.1	V216 I218 K254 C257 I258 F262 E292	V216-V265 WeakPolarHBondContact O-CA 3.23Å; I218-V265 HydrophobicContact CD1-CB 4Å; I218-V265 HydrophobicContact CD1-CG1 4.44Å; I218-V265 HydrophobicContact CD1-CG2 4.04Å; I218-V265 HydrophobicContact CG1-CB 4.3Å; I218-V265 HydrophobicContact CG2-CB 4.06Å; I218-V265 HydrophobicContact CG2-CG1 3.79Å; K254-V265 HydrophobicContact CB-CG2 4.22Å; C257-V265 HydrophobicContact CB-CG1 4.15Å; I258-V265 HydrophobicContact CD1-CG2 3.98Å; F262-V265 HydrophobicContact CB-CG1 3.49Å; F262-V265 VanDerWaalsContact CB-CG1 3.49Å; F262-V265 HydrophobicContact CG-CG1 4.33Å; V265-E292 HydrophobicContact CG2-CB 3.98Å; V265-E292 PolarHBondContact N-O 3.23Å; V265-E292 PolarHBondContact O-N 3Å; V265-E292 VanDerWaalsContact O-O 3.11Å
266	F	98.9	Very high	95.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.1	164.9	75.7	-95.7	0	0	0	111.6	F206 R207 L210 I211 F215 V216 E217 I218 D290	F206-F266 HydrophobicContact CD1-CD2 4.34Å; F206-F266 HydrophobicContact CE1-CB 4.06Å; F206-F266 AromaticContact CE1-CD2 3.71Å; F206-F266 HydrophobicContact CE1-CD2 3.71Å; F206-F266 HydrophobicContact CE1-CE2 4.45Å; F206-F266 HydrophobicContact CE1-CG 4.07Å; F206-F266 HydrophobicContact CZ-CB 4.32Å; R207-F266 HydrophobicContact CB-CZ 4.38Å; R207-F266 HydrophobicContact CG-CE2 3.79Å; R207-F266 HydrophobicContact CG-CZ 3.98Å; L210-F266 HydrophobicContact CB-CD1 3.87Å; L210-F266 HydrophobicContact CB-CE1 4.12Å; L210-F266 HydrophobicContact CD1-CB 3.77Å; L210-F266 HydrophobicContact CD1-CD1 4.03Å; L210-F266 HydrophobicContact CD1-CG 3.91Å; I211-F266 HydrophobicContact CD1-CZ 4.29Å; I211-F266 HydrophobicContact CG1-CE1 3.89Å; I211-F266 HydrophobicContact CG1-CZ 4.08Å; F215-F266 HydrophobicContact CB-CD1 3.76Å; F215-F266 HydrophobicContact CB-CE1 4.29Å; V216-F266 PolarHBondContact O-N 2.99Å; E217-F266 CarbonylContact C-O 3.58Å; E217-F266 WeakPolarHBondContact CA-O 3.44Å; E217-F266 HydrophobicContact CB-CD2 4.35Å; E217-F266 HydrophobicContact CB-CE1 4.01Å; E217-F266 HydrophobicContact CB-CE2 3.65Å; E217-F266 HydrophobicContact CB-CZ 3.46Å; E217-F266 VanDerWaalsContact CB-CZ 3.46Å; E217-F266 HydrophobicContact CG-CD2 4.11Å; E217-F266 HydrophobicContact CG-CE2 3.46Å; E217-F266 VanDerWaalsContact CG-CE2 3.46Å; E217-F266 HydrophobicContact CG-CZ 3.83Å; I218-F266 WeakPolarHBondContact CG1-O 3.45Å; I218-F266 PolarHBondContact N-O 3.33Å; F266-D290 CarbonylContact C-O 3.53Å; F266-D290 WeakPolarHBondContact CA-O 3.47Å; F266-D290 VanDerWaalsContact CB-O 3.24Å; F266-D290 WeakPolarHBondContact CB-O 3.43Å
267	C	98.1	Very high	95.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.7	164.9	68.6	0	0	0	0	112.1	I218 D290	I218-C267 HydrophobicContact CG1-CB 3.98Å; I218-C267 WeakPolarHBondContact O-CB 3.48Å; C267-D290 PolarHBondContact N-O 2.85Å; C267-D290 PolarHBondContact O-N 2.97Å
268	I	98.7	Very high	94.8	Very high	20 Å²	20	50.4 Å²	50.4	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.3	169.9	-64	-177.3	0	0	0	107.6	C203 F206 R207 V287 G288 L289	C203-I268 HydrophobicContact CB-CD1 4.22Å; F206-I268 HydrophobicContact CD1-CD1 3.76Å; F206-I268 HydrophobicContact CD1-CG1 4.1Å; F206-I268 HydrophobicContact CE1-CD1 4.2Å; F206-I268 HydrophobicContact CE1-CG1 4.02Å; R207-I268 HydrophobicContact CG-CD1 3.96Å; I268-V287 HydrophobicContact CG2-CG1 3.81Å; I268-G288 WeakPolarHBondContact CA-O 3.31Å; I268-L289 HydrophobicContact CB-CD2 4.3Å; I268-L289 HydrophobicContact CD1-CD2 3.81Å; I268-L289 HydrophobicContact CG1-CD2 3.69Å; I268-L289 HydrophobicContact CG2-CD2 3.87Å
269	G	97.9	Very high	94.4	Very high	13 Å²	13	52.7 Å²	52.7	13%	0.134	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	175.2	-178.6	0	0	0	0	0	114.3	G288	G269-G288 PolarHBondContact N-O 2.7Å; G269-G288 VanDerWaalsContact N-O 3.14Å; G269-G288 PolarHBondContact O-N 3.41Å
270	P	97.8	Very high	93.9	Very high	47 Å²	47	56 Å²	56	31%	0.305	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.6	-178.3	29.9	-36.1	0	0	0	111.6	K222 F272 F286	K222-P270 HydrophobicContact CG-CG 4.17Å; P270-F272 HydrophobicContact CB-CE2 3.96Å; P270-F272 HydrophobicContact CB-CZ 3.81Å; P270-F272 HydrophobicContact CG-CE2 4.18Å; P270-F272 HydrophobicContact CG-CZ 4.18Å; P270-F286 WeakPolarHBondContact CA-O 3.46Å
271	V	95.4	Very high	93.4	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.2	178.8	178.3	0	0	0	0	108.3	Q248 E285 F286	Q248-V271 WeakPolarHBondContact O-CG1 3.34Å; V271-E285 WeakPolarHBondContact O-CA 3.5Å; V271-F286 HydrophobicContact CB-CD1 4.34Å; V271-F286 HydrophobicContact CB-CD2 4.33Å; V271-F286 HydrophobicContact CB-CE1 3.95Å; V271-F286 HydrophobicContact CB-CE2 3.93Å; V271-F286 HydrophobicContact CB-CZ 3.73Å; V271-F286 HydrophobicContact CG1-CD1 4.43Å; V271-F286 HydrophobicContact CG1-CE1 3.61Å; V271-F286 HydrophobicContact CG1-CE2 4.07Å; V271-F286 HydrophobicContact CG1-CZ 3.4Å; V271-F286 HydrophobicContact CG2-CE2 4.39Å; V271-F286 PolarHBondContact N-O 2.9Å; V271-F286 PolarHBondContact O-N 2.73Å; V271-F286 VanDerWaalsContact O-N 3.08Å
272	F	94.8	Very high	93.1	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.3	-169.9	-56.9	-86.3	0	0	0	112.4	K222 F235 L246 A247 Q248 P270 T284 E285	K222-F272 HydrophobicContact CB-CE2 4.28Å; F235-F272 HydrophobicContact CD2-CB 4.05Å; F235-F272 HydrophobicContact CE2-CB 4.45Å; L246-F272 HydrophobicContact CB-CB 4.01Å; L246-F272 HydrophobicContact CB-CD1 4.46Å; L246-F272 HydrophobicContact CB-CD2 3.75Å; L246-F272 HydrophobicContact CB-CE2 4.34Å; L246-F272 HydrophobicContact CB-CG 3.82Å; L246-F272 HydrophobicContact CD1-CD1 3.75Å; L246-F272 HydrophobicContact CD1-CD2 4.33Å; L246-F272 HydrophobicContact CD1-CE1 3.89Å; L246-F272 HydrophobicContact CD1-CE2 4.45Å; L246-F272 HydrophobicContact CD1-CG 3.98Å; L246-F272 HydrophobicContact CD1-CZ 4.24Å; A247-F272 PolarHBondContact O-N 2.82Å; Q248-F272 WeakPolarHBondContact CA-O 3.37Å; P270-F272 HydrophobicContact CB-CE2 3.96Å; P270-F272 HydrophobicContact CB-CZ 3.81Å; P270-F272 HydrophobicContact CG-CE2 4.18Å; P270-F272 HydrophobicContact CG-CZ 4.18Å; F272-T284 CarbonylContact C-O 3.5Å; F272-T284 WeakPolarHBondContact CA-O 3.27Å; F272-E285 HydrophobicContact CD1-CB 4.08Å; F272-E285 HydrophobicContact CD1-CG 3.97Å; F272-E285 HydrophobicContact CE1-CB 4.21Å; F272-E285 HydrophobicContact CE1-CG 3.65Å; F272-E285 HydrophobicContact CZ-CG 4.45Å
273	R	90.3	Very high	92.9	Very high	71 Å²	71	46.3 Å²	46.3	27%	0.268	24%	0.238	S	C	.	.			trans	-112.4	110.4	175.1	-68.1	-77	175.1	-164	-9.3	108.7	E229 Q248 E275 T284 F286	E229-R273 IonicContact OE1-NH2 3.79Å; E229-R273 IonicContact OE2-CZ 3.43Å; E229-R273 IonicContact OE2-NH1 2.74Å; E229-R273 PolarHBondContact OE2-NH1 3.4Å; E229-R273 IonicContact OE2-NH2 3.89Å; E229-R273 PolarHBondContact OE2-NH2 3.27Å; E229-R273 VanDerWaalsContact OE2-NH2 3.11Å; Q248-R273 PolarHBondContact O-NH2 3.27Å; R273-E275 PolarHBondContact O-N 2.94Å; R273-T284 PolarHBondContact N-O 3.14Å; R273-T284 WeakPolarHBondContact O-CA 3.31Å; R273-F286 HydrophobicContact CG-CE1 3.95Å
274	A	87.3	Confident	92.8	Very high	25 Å²	25	40.3 Å²	40.3	21%	0.207	21%	0.211	C	C	.	.			trans	-90.1	37.2	-178.4	0	0	0	0	0	112.7	N233 F235	N233-A274 WeakPolarHBondContact O-CB 3.4Å; N233-A274 PolarHBondContact O-N 3.06Å; F235-A274 HydrophobicContact CD1-CB 3.97Å; F235-A274 HydrophobicContact CD2-CB 3.6Å; F235-A274 HydrophobicContact CE1-CB 3.94Å; F235-A274 HydrophobicContact CE2-CB 3.58Å; F235-A274 HydrophobicContact CG-CB 3.81Å; F235-A274 HydrophobicContact CZ-CB 3.74Å
275	E	83.6	Confident	92.8	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.374	22%	0.219	S	C	.	.			trans	-87.7	138.8	174.8	-70.8	165.3	-151.8	0	0	109.9	N233 R273 S277	N233-E275 HydrophobicContact CB-CG 4.02Å; R273-E275 PolarHBondContact O-N 2.94Å; E275-S277 PolarHBondContact O-N 2.9Å
276	D	85.2	Confident	92.7	Very high	142 Å²	142	44 Å²	44	76%	0.759	23%	0.229	S	C	*	.			trans	-78	55.8	174.2	-167.6	14.8	0	0	0	111.4	P496	D276-P496 VanDerWaalsContact OD1-CB 3.27Å; D276-P496 WeakPolarHBondContact OD1-CB 3.36Å
277	S	86.3	Confident	92.7	Very high	33 Å²	33	46 Å²	46	23%	0.231	24%	0.241	C	C	.	.			trans	-107.1	84.2	-172.5	-160.5	0	0	0	0	110.6	E275 T279 H282	E275-S277 PolarHBondContact O-N 2.9Å; S277-T279 VanDerWaalsContact C-N 3.34Å; S277-T279 PolarHBondContact O-N 3.29Å; S277-T279 VanDerWaalsContact O-N 3.13Å; S277-H282 WeakPolarHBondContact O-CB 3.31Å; S277-H282 PolarHBondContact OG-ND1 3.4Å
278	N	87.8	Confident	92.7	Very high	69 Å²	69	45.9 Å²	45.9	37%	0.369	24%	0.241	S	C	.	.			trans	-88.7	62.9	-178.2	-171.2	63.9	0	0	0	112.8	R487	N278-R487 PolarHBondContact OD1-NH2 2.65Å; N278-R487 VanDerWaalsContact OD1-NH2 3.15Å
279	T	89.4	Confident	92.7	Very high	49 Å²	49	45 Å²	45	30%	0.301	24%	0.236	S	C	.	.	S	Bend	trans	-99.3	177.9	177.2	80.3	0	0	0	0	112.1	S277 R281 H282 R487	S277-T279 VanDerWaalsContact C-N 3.34Å; S277-T279 PolarHBondContact O-N 3.29Å; S277-T279 VanDerWaalsContact O-N 3.13Å; T279-R281 PolarHBondContact O-N 2.96Å; T279-R281 PolarHBondContact OG1-N 3.49Å; T279-R281 VanDerWaalsContact OG1-N 3.07Å; T279-H282 VanDerWaalsContact OG1-CG 3.32Å; T279-H282 PolarHBondContact OG1-N 2.96Å; T279-H282 PolarHBondContact OG1-ND1 2.68Å; T279-H282 VanDerWaalsContact OG1-ND1 3.08Å; T279-R487 PolarHBondContact O-NH1 3.39Å
280	H	87.6	Confident	92.7	Very high	98 Å²	98	44.8 Å²	44.8	45%	0.454	23%	0.232	S	C	.	.	S	Bend	trans	-74.6	-9	171.7	63.9	-86.8	0	0	0	114	H484 N485 V486	H280-H484 PolarHBondContact CD2-O 2.81Å; H280-N485 HydrophobicContact CB-CB 4.24Å; H280-N485 CarbonylContact O-C 3.52Å; H280-N485 WeakPolarHBondContact O-CA 3.4Å; H280-N485 PolarHBondContact O-OD1 2.97Å; H280-V486 WeakPolarHBondContact O-CG1 3.38Å; H280-V486 PolarHBondContact O-N 3.26Å
281	R	88.8	Confident	92.8	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.079	22%	0.218	C	C	.	.	S	Bend	trans	-112.1	-15.2	-174.5	-51.3	-177.4	-167.6	-173.1	18.3	114.2	T279 T370 E373 E423	T279-R281 PolarHBondContact O-N 2.96Å; T279-R281 PolarHBondContact OG1-N 3.49Å; T279-R281 VanDerWaalsContact OG1-N 3.07Å; R281-T370 VanDerWaalsContact NH1-CG2 3.25Å; R281-E373 IonicContact NH1-OE2 2.71Å; R281-E423 WeakPolarHBondContact CD-OE2 3.34Å; R281-E423 IonicContact CZ-OE1 3.22Å; R281-E423 IonicContact CZ-OE2 2.84Å; R281-E423 VanDerWaalsContact CZ-OE2 3.26Å; R281-E423 IonicContact NE-OE1 2.75Å; R281-E423 IonicContact NE-OE2 3.32Å; R281-E423 PolarHBondContact NE-OE2 3.03Å; R281-E423 VanDerWaalsContact NE-OE2 3.12Å; R281-E423 VanDerWaalsContact NH1-CG 3.32Å; R281-E423 IonicContact NH1-OE1 2.84Å; R281-E423 IonicContact NH1-OE2 2.98Å; R281-E423 PolarHBondContact NH1-OE2 3.28Å; R281-E423 IonicContact NH2-OE1 3.26Å
282	H	92.6	Very high	92.9	Very high	67 Å²	67	42.4 Å²	42.4	31%	0.31	22%	0.216	S	C	.	.			trans	-107.7	144.3	-172.7	-56.7	146.5	0	0	0	112	S277 T279	S277-H282 WeakPolarHBondContact O-CB 3.31Å; S277-H282 PolarHBondContact OG-ND1 3.4Å; T279-H282 VanDerWaalsContact OG1-CG 3.32Å; T279-H282 PolarHBondContact OG1-N 2.96Å; T279-H282 PolarHBondContact OG1-ND1 2.68Å; T279-H282 VanDerWaalsContact OG1-ND1 3.08Å
283	L	95.3	Very high	93.1	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	22%	0.215	C	C	.	.			trans	-132.3	151.9	172.5	-64.7	173.2	0	0	0	107.6	E285 F286 E474 V486 R487 P493 R494	L283-E285 WeakPolarHBondContact CB-O 3.3Å; L283-F286 HydrophobicContact CB-CB 4.33Å; L283-F286 HydrophobicContact CD1-CB 4.16Å; L283-E474 HydrophobicContact CD1-CB 4.49Å; L283-E474 HydrophobicContact CD1-CG 4.33Å; L283-V486 HydrophobicContact CD1-CG1 4.16Å; L283-V486 HydrophobicContact CD1-CG2 3.9Å; L283-V486 HydrophobicContact CD2-CG1 3.86Å; L283-V486 HydrophobicContact CG-CG1 3.67Å; L283-V486 HydrophobicContact CG-CG2 4.26Å; L283-R487 HydrophobicContact CD2-CG 4.14Å; L283-P493 HydrophobicContact CD2-CB 4.02Å; L283-R494 CarbonylContact C-O 3.56Å; L283-R494 WeakPolarHBondContact CA-O 3.39Å; L283-R494 WeakPolarHBondContact CB-O 3.43Å; L283-R494 WeakPolarHBondContact CD2-O 3.39Å
284	T	95.7	Very high	93.5	Very high	17 Å²	17	39.7 Å²	39.7	10%	0.104	21%	0.211	C	C	.	.	S	Bend	trans	-83.4	-23.7	175.6	48.6	0	0	0	0	112.8	F235 F272 R273 R494 D495 P496	F235-T284 HydrophobicContact CZ-CG2 4.29Å; F272-T284 CarbonylContact C-O 3.5Å; F272-T284 WeakPolarHBondContact CA-O 3.27Å; R273-T284 PolarHBondContact N-O 3.14Å; R273-T284 WeakPolarHBondContact O-CA 3.31Å; T284-R494 PolarHBondContact N-O 3.19Å; T284-R494 PolarHBondContact OG1-O 3.28Å; T284-D495 WeakPolarHBondContact OG1-CA 3.49Å; T284-D495 PolarHBondContact OG1-N 3.46Å; T284-P496 HydrophobicContact CG2-CG 4Å
285	E	97.4	Very high	94.1	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.8	169.7	179.1	-179.6	-169.9	0	0	108.7	V271 F272 L283 R494	V271-E285 WeakPolarHBondContact O-CA 3.5Å; F272-E285 HydrophobicContact CD1-CB 4.08Å; F272-E285 HydrophobicContact CD1-CG 3.97Å; F272-E285 HydrophobicContact CE1-CB 4.21Å; F272-E285 HydrophobicContact CE1-CG 3.65Å; F272-E285 HydrophobicContact CZ-CG 4.45Å; L283-E285 WeakPolarHBondContact CB-O 3.3Å; E285-R494 HydrophobicContact CB-CB 4Å; E285-R494 HydrophobicContact CB-CG 4.32Å
286	F	97.5	Very high	94.8	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.197	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	172.2	178	70.5	-88.6	0	0	0	110.8	P270 V271 R273 L283 E474	P270-F286 WeakPolarHBondContact CA-O 3.46Å; V271-F286 HydrophobicContact CB-CD1 4.34Å; V271-F286 HydrophobicContact CB-CD2 4.33Å; V271-F286 HydrophobicContact CB-CE1 3.95Å; V271-F286 HydrophobicContact CB-CE2 3.93Å; V271-F286 HydrophobicContact CB-CZ 3.73Å; V271-F286 HydrophobicContact CG1-CD1 4.43Å; V271-F286 HydrophobicContact CG1-CE1 3.61Å; V271-F286 HydrophobicContact CG1-CE2 4.07Å; V271-F286 HydrophobicContact CG1-CZ 3.4Å; V271-F286 HydrophobicContact CG2-CE2 4.39Å; V271-F286 PolarHBondContact N-O 2.9Å; V271-F286 PolarHBondContact O-N 2.73Å; V271-F286 VanDerWaalsContact O-N 3.08Å; R273-F286 HydrophobicContact CG-CE1 3.95Å; L283-F286 HydrophobicContact CB-CB 4.33Å; L283-F286 HydrophobicContact CD1-CB 4.16Å; F286-E474 WeakPolarHBondContact CA-OE1 3.38Å
287	V	98.7	Very high	95.4	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.261	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117	179	-178.4	0	0	0	0	111.1	I268 L289 L473 E474	I268-V287 HydrophobicContact CG2-CG1 3.81Å; V287-L289 HydrophobicContact CG1-CD2 4.4Å; V287-L473 HydrophobicContact CB-CB 4.01Å; V287-L473 HydrophobicContact CB-CD2 3.81Å; V287-L473 HydrophobicContact CG1-CB 4.28Å; V287-L473 HydrophobicContact CG1-CD2 3.83Å; V287-L473 HydrophobicContact CG2-CD2 4.38Å; V287-L473 VanDerWaalsContact O-CB 3.27Å; V287-L473 WeakPolarHBondContact O-CB 3.24Å; V287-L473 PolarHBondContact O-N 2.77Å; V287-E474 PolarHBondContact N-OE1 2.98Å; V287-E474 VanDerWaalsContact N-OE1 3.08Å; V287-E474 PolarHBondContact N-OE2 2.74Å
288	G	98.3	Very high	96	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.6	170.7	0	0	0	0	0	112	I268 G269 I471	I268-G288 WeakPolarHBondContact CA-O 3.31Å; G269-G288 PolarHBondContact N-O 2.7Å; G269-G288 VanDerWaalsContact N-O 3.14Å; G269-G288 PolarHBondContact O-N 3.41Å; G288-I471 CarbonylContact C-O 3.52Å; G288-I471 WeakPolarHBondContact CA-O 3.31Å
289	L	98.7	Very high	96.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	102.7	162.7	-33.1	173	0	0	0	106.9	I202 F206 I268 V287 I471 L473	I202-L289 HydrophobicContact CG2-CD1 4.06Å; F206-L289 HydrophobicContact CD1-CB 4.39Å; F206-L289 HydrophobicContact CD2-CB 4.06Å; F206-L289 HydrophobicContact CD2-CD1 4.09Å; F206-L289 HydrophobicContact CE1-CB 4Å; F206-L289 HydrophobicContact CE2-CB 3.66Å; F206-L289 HydrophobicContact CE2-CD1 4.48Å; F206-L289 HydrophobicContact CG-CB 4.4Å; F206-L289 HydrophobicContact CG-CD1 4.29Å; F206-L289 HydrophobicContact CZ-CB 3.61Å; I268-L289 HydrophobicContact CB-CD2 4.3Å; I268-L289 HydrophobicContact CD1-CD2 3.81Å; I268-L289 HydrophobicContact CG1-CD2 3.69Å; I268-L289 HydrophobicContact CG2-CD2 3.87Å; V287-L289 HydrophobicContact CG1-CD2 4.4Å; L289-I471 HydrophobicContact CB-CB 4.13Å; L289-I471 HydrophobicContact CD1-CG2 4.3Å; L289-I471 HydrophobicContact CG-CB 4.48Å; L289-I471 PolarHBondContact N-O 2.68Å; L289-I471 WeakPolarHBondContact O-CB 3.35Å; L289-I471 PolarHBondContact O-N 2.84Å; L289-L473 HydrophobicContact CD1-CD1 4.16Å; L289-L473 HydrophobicContact CD2-CB 4.16Å; L289-L473 HydrophobicContact CD2-CD1 4.28Å; L289-L473 HydrophobicContact CG-CB 4.29Å
290	D	98.7	Very high	97	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.5	-172.7	-92.2	-90.9	0	0	0	111.6	P250 K254 F266 C267	P250-D290 WeakPolarHBondContact CD-OD2 3.49Å; P250-D290 HydrophobicContact CG-CB 3.71Å; P250-D290 WeakPolarHBondContact CG-OD2 3.42Å; K254-D290 HydrophobicContact CD-CB 4.12Å; K254-D290 VanDerWaalsContact CE-OD1 3.29Å; K254-D290 WeakPolarHBondContact CE-OD1 3.3Å; K254-D290 IonicContact NZ-OD1 3.99Å; K254-D290 PolarHBondContact NZ-OD1 3.42Å; F266-D290 CarbonylContact C-O 3.53Å; F266-D290 WeakPolarHBondContact CA-O 3.47Å; F266-D290 VanDerWaalsContact CB-O 3.24Å; F266-D290 WeakPolarHBondContact CB-O 3.43Å; C267-D290 PolarHBondContact N-O 2.85Å; C267-D290 PolarHBondContact O-N 2.97Å
291	I	98.9	Very high	97.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	174.7	-57.6	173.6	0	0	0	108.3	F206 L210 F215 K254 I306 G468 G469	F206-I291 HydrophobicContact CE2-CD1 3.72Å; F206-I291 HydrophobicContact CE2-CG1 3.88Å; F206-I291 HydrophobicContact CZ-CD1 4.02Å; F206-I291 HydrophobicContact CZ-CG1 3.64Å; L210-I291 HydrophobicContact CD1-CD1 3.89Å; L210-I291 HydrophobicContact CD1-CG1 3.89Å; L210-I291 HydrophobicContact CD2-CD1 4.1Å; F215-I291 HydrophobicContact CD1-CG2 4.38Å; F215-I291 HydrophobicContact CE1-CG2 3.59Å; F215-I291 HydrophobicContact CZ-CG2 4.24Å; K254-I291 PolarHBondContact NZ-O 2.84Å; I291-I306 HydrophobicContact CB-CD1 4.41Å; I291-I306 HydrophobicContact CB-CG1 4.49Å; I291-I306 HydrophobicContact CD1-CG1 3.92Å; I291-I306 HydrophobicContact CG2-CD1 4.4Å; I291-I306 HydrophobicContact CG2-CG1 4.27Å; I291-G468 VanDerWaalsContact O-CA 3.3Å; I291-G468 WeakPolarHBondContact O-CA 3.45Å; I291-G469 PolarHBondContact N-O 2.83Å; I291-G469 PolarHBondContact O-N 3.01Å; I291-G469 VanDerWaalsContact O-N 3.09Å; I291-G469 VanDerWaalsContact O-O 3.13Å
292	E	98.9	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.9	160.9	-152.5	76.4	-152.5	0	0	108.6	Q251 K254 Q255 I258 V265 R431 H466 A467 G468	Q251-E292 PolarHBondContact NE2-OE2 2.86Å; Q251-E292 VanDerWaalsContact NE2-OE2 3.16Å; K254-E292 HydrophobicContact CB-CB 4.05Å; K254-E292 HydrophobicContact CD-CB 3.97Å; K254-E292 WeakPolarHBondContact CE-OE2 3.44Å; K254-E292 HydrophobicContact CG-CB 3.9Å; K254-E292 HydrophobicContact CG-CG 4.25Å; K254-E292 IonicContact NZ-OE2 3.96Å; K254-E292 PolarHBondContact NZ-OE2 2.85Å; Q255-E292 HydrophobicContact CG-CG 4.29Å; I258-E292 HydrophobicContact CD1-CB 4.28Å; I258-E292 HydrophobicContact CD1-CG 4.4Å; I258-E292 HydrophobicContact CG1-CB 4.2Å; I258-E292 HydrophobicContact CG1-CG 3.86Å; V265-E292 HydrophobicContact CG2-CB 3.98Å; V265-E292 PolarHBondContact N-O 3.23Å; V265-E292 PolarHBondContact O-N 3Å; V265-E292 VanDerWaalsContact O-O 3.11Å; E292-R431 WeakPolarHBondContact OE1-CG 3.44Å; E292-R431 IonicContact OE1-CZ 2.8Å; E292-R431 IonicContact OE1-NE 2.86Å; E292-R431 PolarHBondContact OE1-NE 3.25Å; E292-R431 IonicContact OE1-NH2 2.71Å; E292-R431 IonicContact OE2-CZ 3.66Å; E292-R431 IonicContact OE2-NE 3.54Å; E292-R431 IonicContact OE2-NH2 2.71Å; E292-R431 PolarHBondContact OE2-NH2 2.96Å; E292-H466 IonicContact OE1-CD2 3.72Å; E292-A467 CarbonylContact C-O 3.59Å; E292-A467 WeakPolarHBondContact CA-O 3.26Å; E292-G468 PolarHBondContact OE1-N 3.22Å
293	M	98.9	Very high	98.3	Very high	17 Å²	17	36.2 Å²	36.2	8%	0.084	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	134	-174.2	167.2	166.2	162.1	0	0	110.9	F215 E263 K264 V302 E305 H466 A467	F215-M293 HydrophobicContact CE1-CB 4.11Å; F215-M293 HydrophobicContact CE1-SD 4.37Å; F215-M293 HydrophobicContact CE2-SD 4.38Å; F215-M293 HydrophobicContact CZ-CB 4.32Å; F215-M293 HydrophobicContact CZ-SD 3.68Å; E263-M293 WeakPolarHBondContact O-CA 3.23Å; K264-M293 HydrophobicContact CD-SD 3.97Å; K264-M293 HydrophobicContact CG-CG 4.01Å; K264-M293 HydrophobicContact CG-SD 4.03Å; M293-V302 HydrophobicContact CB-CG1 4.15Å; M293-V302 HydrophobicContact CB-CG2 4.01Å; M293-V302 HydrophobicContact CG-CG2 3.92Å; M293-V302 HydrophobicContact SD-CG2 4.45Å; M293-E305 HydrophobicContact SD-CG 4.16Å; M293-H466 VanDerWaalsContact O-CA 3.27Å; M293-H466 WeakPolarHBondContact O-CA 3.48Å; M293-H466 VanDerWaalsContact O-CB 3.3Å; M293-H466 WeakPolarHBondContact O-CB 3.37Å; M293-A467 PolarHBondContact N-O 2.91Å; M293-A467 PolarHBondContact O-N 3.33Å
294	A	98.9	Very high	98.5	Very high	21 Å²	21	40.4 Å²	40.4	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.9	165	0	0	0	0	0	110.5	I258 E263 P464 P465	I258-A294 HydrophobicContact CG2-CB 4.19Å; E263-A294 PolarHBondContact O-N 2.9Å; A294-P464 HydrophobicContact CB-CB 4.33Å; A294-P464 HydrophobicContact CB-CG 4.17Å; A294-P465 WeakPolarHBondContact CA-O 3.37Å
295	F	98.8	Very high	98.6	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.057	20%	0.196	C	C	.	.			trans	-130.6	169.5	-179.8	66.7	-100.4	0	0	0	111.4	E301 V302 Q430 P465 H466 A467	F295-E301 HydrophobicContact CB-CB 4.02Å; F295-V302 HydrophobicContact CB-CG2 3.96Å; F295-V302 HydrophobicContact CD1-CG2 4Å; F295-V302 HydrophobicContact CG-CG2 4.39Å; F295-Q430 HydrophobicContact CE1-CG 3.99Å; F295-Q430 HydrophobicContact CZ-CG 3.95Å; F295-P465 HydrophobicContact CE1-CB 4.25Å; F295-P465 HydrophobicContact CE2-CB 3.94Å; F295-P465 HydrophobicContact CE2-CG 4.46Å; F295-P465 HydrophobicContact CZ-CB 3.8Å; F295-P465 PolarHBondContact N-O 2.97Å; F295-H466 VanDerWaalsContact CE1-C 3.47Å; F295-A467 HydrophobicContact CD1-CB 4.15Å; F295-A467 HydrophobicContact CE1-CB 4.05Å
296	N	98.6	Very high	98.7	Very high	115 Å²	115	37.7 Å²	37.7	62%	0.615	18%	0.179	S	C	*	.	S	Bend	trans	-86.9	-55.6	-172.8	-58.5	-80.1	0	0	0	112.6	E301	N296-E301 WeakPolarHBondContact CB-OE2 3.43Å; N296-E301 PolarHBondContact N-OE1 3.28Å; N296-E301 PolarHBondContact N-OE2 3.27Å; N296-E301 PolarHBondContact ND2-OE2 2.83Å
297	Y	98.3	Very high	98.7	Very high	214 Å²	214	35.8 Å²	35.8	84%	0.839	17%	0.171	S	C	*	.	S	Bend	trans	-137.1	-30.5	-170.4	-59.5	-64.9	0	0	0	114.6	E301	Y297-E301 PolarHBondContact N-OE1 2.88Å
298	H	98.8	Very high	98.8	Very high	78 Å²	78	36.4 Å²	36.4	36%	0.361	17%	0.173	S	C	.	.			trans	-141.3	137.2	-177.6	-156.5	-106.8	0	0	0	112.9	H300 E301	H298-H300 AromaticContact CE1-CD2 3.65Å; H298-H300 AromaticContact CE1-CE1 3.58Å; H298-H300 AromaticContact CE1-CG 3.46Å; H298-H300 VanDerWaalsContact CE1-CG 3.46Å; H298-H300 AromaticContact CE1-ND1 3.39Å; H298-H300 PolarHBondContact CE1-ND1 3.05Å; H298-H300 AromaticContact CE1-NE2 3.73Å; H298-H300 WeakPolarHBondContact ND1-CB 3.35Å; H298-H300 AromaticContact ND1-CD2 3.71Å; H298-H300 AromaticContact ND1-CG 3.16Å; H298-H300 PolarHBondContact ND1-N 2.96Å; H298-H300 AromaticContact ND1-ND1 3.36Å; H298-H300 PolarHBondContact ND1-ND1 3.28Å; H298-H300 PolarHBondContact O-N 3.44Å; H298-E301 PolarHBondContact N-OE1 2.74Å; H298-E301 VanDerWaalsContact O-CB 3.28Å; H298-E301 WeakPolarHBondContact O-CB 3.33Å; H298-E301 VanDerWaalsContact O-CG 3.27Å; H298-E301 WeakPolarHBondContact O-CG 3.33Å; H298-E301 PolarHBondContact O-N 2.97Å
299	Y	98.8	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.1	-179.2	75.7	-84	0	0	0	114.2	E301 V302 M303 D392 K393 N414 Y416 Q430	Y299-E301 PolarHBondContact O-N 2.7Å; Y299-V302 PolarHBondContact O-N 3.2Å; Y299-M303 HydrophobicContact CE2-SD 4.37Å; Y299-M303 PolarHBondContact O-N 2.9Å; Y299-D392 WeakPolarHBondContact CE2-OD1 3.22Å; Y299-D392 PolarHBondContact OH-OD1 3.04Å; Y299-D392 PolarHBondContact OH-OD2 2.96Å; Y299-K393 WeakPolarHBondContact OH-CD 3.48Å; Y299-K393 WeakPolarHBondContact OH-CE 3.33Å; Y299-K393 PolarHBondContact OH-NZ 2.62Å; Y299-N414 HydrophobicContact CD1-CB 3.65Å; Y299-N414 HydrophobicContact CE1-CB 3.53Å; Y299-N414 WeakPolarHBondContact CE1-OD1 3.42Å; Y299-N414 HydrophobicContact CE2-CB 4.42Å; Y299-N414 HydrophobicContact CG-CB 4.15Å; Y299-Y416 AromaticContact CD2-CD1 3.93Å; Y299-Y416 HydrophobicContact CD2-CD1 3.93Å; Y299-Y416 AromaticContact CD2-CE1 3.87Å; Y299-Y416 HydrophobicContact CD2-CE1 3.87Å; Y299-Y416 AromaticContact CE2-CD1 3.82Å; Y299-Y416 HydrophobicContact CE2-CD1 3.82Å; Y299-Y416 HydrophobicContact CE2-CE1 4.25Å; Y299-Q430 HydrophobicContact CG-CB 4.22Å
300	H	98.8	Very high	98.8	Very high	29 Å²	29	36.5 Å²	36.5	13%	0.134	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-29.7	169.5	-69.8	176.1	0	0	0	112.2	H298 V302 M303 E304 D392	H298-H300 AromaticContact CE1-CD2 3.65Å; H298-H300 AromaticContact CE1-CE1 3.58Å; H298-H300 AromaticContact CE1-CG 3.46Å; H298-H300 VanDerWaalsContact CE1-CG 3.46Å; H298-H300 AromaticContact CE1-ND1 3.39Å; H298-H300 PolarHBondContact CE1-ND1 3.05Å; H298-H300 AromaticContact CE1-NE2 3.73Å; H298-H300 WeakPolarHBondContact ND1-CB 3.35Å; H298-H300 AromaticContact ND1-CD2 3.71Å; H298-H300 AromaticContact ND1-CG 3.16Å; H298-H300 PolarHBondContact ND1-N 2.96Å; H298-H300 AromaticContact ND1-ND1 3.36Å; H298-H300 PolarHBondContact ND1-ND1 3.28Å; H298-H300 PolarHBondContact O-N 3.44Å; H300-V302 PolarHBondContact O-N 3.05Å; H300-M303 HydrophobicContact CB-CE 4.26Å; H300-M303 WeakPolarHBondContact CD2-CE 3.46Å; H300-M303 PolarHBondContact O-N 3.36Å; H300-E304 VanDerWaalsContact O-CB 3.27Å; H300-E304 WeakPolarHBondContact O-CB 3.5Å; H300-E304 VanDerWaalsContact O-CG 3.31Å; H300-E304 WeakPolarHBondContact O-CG 3.12Å; H300-E304 PolarHBondContact O-N 3.4Å; H300-D392 IonicContact CD2-OD2 3.35Å; H300-D392 IonicContact CE1-OD2 2.63Å; H300-D392 IonicContact NE2-OD2 2.69Å; H300-D392 PolarHBondContact NE2-OD2 3.02Å
301	E	98.9	Very high	98.8	Very high	60 Å²	60	36.2 Å²	36.2	28%	0.28	17%	0.172	S	C	.	.	H	α-helix	trans	-53.1	-37.5	171.4	-66.8	169.8	-116.3	0	0	112	F295 N296 Y297 H298 Y299 E305	F295-E301 HydrophobicContact CB-CB 4.02Å; N296-E301 WeakPolarHBondContact CB-OE2 3.43Å; N296-E301 PolarHBondContact N-OE1 3.28Å; N296-E301 PolarHBondContact N-OE2 3.27Å; N296-E301 PolarHBondContact ND2-OE2 2.83Å; Y297-E301 PolarHBondContact N-OE1 2.88Å; H298-E301 PolarHBondContact N-OE1 2.74Å; H298-E301 VanDerWaalsContact O-CB 3.28Å; H298-E301 WeakPolarHBondContact O-CB 3.33Å; H298-E301 VanDerWaalsContact O-CG 3.27Å; H298-E301 WeakPolarHBondContact O-CG 3.33Å; H298-E301 PolarHBondContact O-N 2.97Å; Y299-E301 PolarHBondContact O-N 2.7Å; E301-E305 VanDerWaalsContact O-CB 3.31Å; E301-E305 WeakPolarHBondContact O-CB 3.44Å; E301-E305 PolarHBondContact O-N 2.79Å
302	V	98.9	Very high	98.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-87.5	-40.8	178.2	-176	0	0	0	0	111.9	M293 F295 Y299 H300 E304 E305 I306 A467	M293-V302 HydrophobicContact CB-CG1 4.15Å; M293-V302 HydrophobicContact CB-CG2 4.01Å; M293-V302 HydrophobicContact CG-CG2 3.92Å; M293-V302 HydrophobicContact SD-CG2 4.45Å; F295-V302 HydrophobicContact CB-CG2 3.96Å; F295-V302 HydrophobicContact CD1-CG2 4Å; F295-V302 HydrophobicContact CG-CG2 4.39Å; Y299-V302 PolarHBondContact O-N 3.2Å; H300-V302 PolarHBondContact O-N 3.05Å; V302-E304 VanDerWaalsContact C-N 3.3Å; V302-E304 PolarHBondContact O-N 3.43Å; V302-E305 PolarHBondContact O-N 3.12Å; V302-I306 HydrophobicContact CG1-CD1 3.9Å; V302-I306 HydrophobicContact CG1-CG1 4.28Å; V302-I306 WeakPolarHBondContact O-CB 3.09Å; V302-I306 VanDerWaalsContact O-CG1 3.28Å; V302-I306 WeakPolarHBondContact O-CG1 3.34Å; V302-I306 PolarHBondContact O-N 3.24Å; V302-A467 HydrophobicContact CB-CB 3.89Å; V302-A467 HydrophobicContact CG1-CB 4.12Å; V302-A467 HydrophobicContact CG2-CB 3.91Å
303	M	98.8	Very high	98.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-39.9	179.2	-178	-173.1	70.7	0	0	111.7	Y299 H300 A307 R345 I390 D392 Y416 M418	Y299-M303 HydrophobicContact CE2-SD 4.37Å; Y299-M303 PolarHBondContact O-N 2.9Å; H300-M303 HydrophobicContact CB-CE 4.26Å; H300-M303 WeakPolarHBondContact CD2-CE 3.46Å; H300-M303 PolarHBondContact O-N 3.36Å; M303-A307 VanDerWaalsContact O-CB 3.31Å; M303-A307 WeakPolarHBondContact O-CB 3.35Å; M303-A307 PolarHBondContact O-N 2.9Å; M303-R345 HydrophobicContact CE-CG 4.48Å; M303-I390 HydrophobicContact CG-CD1 4.37Å; M303-I390 HydrophobicContact CG-CG2 4.23Å; M303-I390 HydrophobicContact SD-CG2 3.91Å; M303-D392 HydrophobicContact SD-CB 4.39Å; M303-Y416 HydrophobicContact CB-CD1 4.21Å; M303-Y416 HydrophobicContact CB-CD2 4.41Å; M303-Y416 HydrophobicContact CB-CE1 3.93Å; M303-Y416 HydrophobicContact CB-CE2 4.14Å; M303-Y416 HydrophobicContact CB-CG 4.44Å; M303-Y416 HydrophobicContact CG-CD1 4.04Å; M303-Y416 HydrophobicContact CG-CD2 3.75Å; M303-Y416 HydrophobicContact CG-CE1 4.21Å; M303-Y416 HydrophobicContact CG-CE2 3.92Å; M303-Y416 HydrophobicContact CG-CG 3.8Å; M303-Y416 HydrophobicContact SD-CD1 4Å; M303-Y416 HydrophobicContact SD-CD2 4.33Å; M303-Y416 HydrophobicContact SD-CG 3.82Å; M303-M418 HydrophobicContact CG-CE 4.23Å; M303-M418 WeakPolarHBondContact O-CE 3.36Å
304	E	98.8	Very high	98.8	Very high	101 Å²	101	38.5 Å²	38.5	47%	0.472	18%	0.182	S	C	.	.	H	α-helix	trans	-73.1	-36.6	177.3	-66.6	173.9	-178.2	0	0	111.4	H300 V302 A307 D308 R345	H300-E304 VanDerWaalsContact O-CB 3.27Å; H300-E304 WeakPolarHBondContact O-CB 3.5Å; H300-E304 VanDerWaalsContact O-CG 3.31Å; H300-E304 WeakPolarHBondContact O-CG 3.12Å; H300-E304 PolarHBondContact O-N 3.4Å; V302-E304 VanDerWaalsContact C-N 3.3Å; V302-E304 PolarHBondContact O-N 3.43Å; E304-A307 PolarHBondContact O-N 3.14Å; E304-D308 PolarHBondContact O-N 3.4Å; E304-R345 IonicContact OE1-NH1 3.75Å; E304-R345 PolarHBondContact OE1-NH1 3.41Å
305	E	98.8	Very high	98.8	Very high	39 Å²	39	40.3 Å²	40.3	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-40.9	172.5	-176.6	76.2	-70.5	0	0	112.3	K213 F215 K264 M293 E301 V302 T309	K213-E305 VanDerWaalsContact CD-OE1 3.24Å; K213-E305 WeakPolarHBondContact CD-OE1 3.49Å; K213-E305 WeakPolarHBondContact CE-OE1 3.11Å; K213-E305 PolarHBondContact NZ-O 3.29Å; K213-E305 IonicContact NZ-OE1 3.57Å; K213-E305 PolarHBondContact NZ-OE1 3.38Å; F215-E305 HydrophobicContact CE2-CG 4.16Å; F215-E305 HydrophobicContact CZ-CG 4.03Å; K264-E305 IonicContact NZ-OE2 2.74Å; K264-E305 PolarHBondContact NZ-OE2 2.67Å; M293-E305 HydrophobicContact SD-CG 4.16Å; E301-E305 VanDerWaalsContact O-CB 3.31Å; E301-E305 WeakPolarHBondContact O-CB 3.44Å; E301-E305 PolarHBondContact O-N 2.79Å; V302-E305 PolarHBondContact O-N 3.12Å; E305-T309 WeakPolarHBondContact O-CB 3.23Å; E305-T309 PolarHBondContact O-N 2.97Å; E305-T309 PolarHBondContact O-OG1 2.83Å
306	I	98.8	Very high	98.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-43.2	173.2	-68.3	175.4	0	0	0	110.5	I291 V302 T309 M310 Y416 M418 L426	I291-I306 HydrophobicContact CB-CD1 4.41Å; I291-I306 HydrophobicContact CB-CG1 4.49Å; I291-I306 HydrophobicContact CD1-CG1 3.92Å; I291-I306 HydrophobicContact CG2-CD1 4.4Å; I291-I306 HydrophobicContact CG2-CG1 4.27Å; V302-I306 HydrophobicContact CG1-CD1 3.9Å; V302-I306 HydrophobicContact CG1-CG1 4.28Å; V302-I306 WeakPolarHBondContact O-CB 3.09Å; V302-I306 VanDerWaalsContact O-CG1 3.28Å; V302-I306 WeakPolarHBondContact O-CG1 3.34Å; V302-I306 PolarHBondContact O-N 3.24Å; I306-T309 WeakPolarHBondContact O-CB 3.39Å; I306-T309 PolarHBondContact O-N 3.46Å; I306-T309 VanDerWaalsContact O-N 3.16Å; I306-M310 PolarHBondContact O-N 2.78Å; I306-Y416 HydrophobicContact CD1-CE2 4.47Å; I306-M418 HydrophobicContact CB-CE 4.04Å; I306-M418 HydrophobicContact CG2-CE 3.58Å; I306-M418 HydrophobicContact CG2-SD 3.89Å; I306-L426 HydrophobicContact CG2-CD1 3.46Å; I306-L426 VanDerWaalsContact CG2-CD1 3.46Å
307	A	98.8	Very high	98.8	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-44.7	179.9	0	0	0	0	0	112.4	M303 E304 T309 M310 V311 T343 I390 M418	M303-A307 VanDerWaalsContact O-CB 3.31Å; M303-A307 WeakPolarHBondContact O-CB 3.35Å; M303-A307 PolarHBondContact O-N 2.9Å; E304-A307 PolarHBondContact O-N 3.14Å; A307-T309 VanDerWaalsContact C-N 3.32Å; A307-T309 PolarHBondContact O-N 2.87Å; A307-M310 PolarHBondContact O-N 2.98Å; A307-V311 WeakPolarHBondContact O-CG2 3.31Å; A307-V311 PolarHBondContact O-N 2.98Å; A307-T343 HydrophobicContact CB-CG2 4.41Å; A307-I390 HydrophobicContact CB-CD1 3.68Å; A307-M418 HydrophobicContact CB-CE 4.11Å
308	D	98.8	Very high	98.8	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	13%	0.131	S	C	.	.	H	α-helix	trans	-61.5	-41.4	171.4	173.1	70.7	0	0	0	110.9	K213 E304 M310 V311 Q312	K213-D308 VanDerWaalsContact CE-OD2 3.27Å; K213-D308 WeakPolarHBondContact CE-OD2 3.37Å; K213-D308 IonicContact NZ-OD2 3.57Å; K213-D308 PolarHBondContact NZ-OD2 3.07Å; E304-D308 PolarHBondContact O-N 3.4Å; D308-M310 VanDerWaalsContact C-N 3.27Å; D308-M310 PolarHBondContact O-N 2.79Å; D308-V311 CarbonylContact O-C 3.25Å; D308-V311 WeakPolarHBondContact O-CA 3.4Å; D308-V311 WeakPolarHBondContact O-CB 3.28Å; D308-V311 PolarHBondContact O-N 3.09Å; D308-Q312 WeakPolarHBondContact O-CG 3.4Å; D308-Q312 PolarHBondContact O-N 2.84Å; D308-Q312 PolarHBondContact OD1-NE2 2.94Å
309	T	98.9	Very high	98.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-38.8	177.5	-58	0	0	0	0	112.3	F206 T209 L210 K213 E305 I306 A307 I313	F206-T309 HydrophobicContact CD2-CG2 4.43Å; T209-T309 HydrophobicContact CG2-CG2 4.02Å; L210-T309 HydrophobicContact CD2-CG2 3.91Å; L210-T309 HydrophobicContact CG-CG2 4.02Å; K213-T309 PolarHBondContact NZ-OG1 3.17Å; E305-T309 WeakPolarHBondContact O-CB 3.23Å; E305-T309 PolarHBondContact O-N 2.97Å; E305-T309 PolarHBondContact O-OG1 2.83Å; I306-T309 WeakPolarHBondContact O-CB 3.39Å; I306-T309 PolarHBondContact O-N 3.46Å; I306-T309 VanDerWaalsContact O-N 3.16Å; A307-T309 VanDerWaalsContact C-N 3.32Å; A307-T309 PolarHBondContact O-N 2.87Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.44Å; T309-I313 PolarHBondContact O-N 2.99Å; T309-I313 VanDerWaalsContact O-N 3.17Å
310	M	98.8	Very high	98.7	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-42.5	172	-68.2	-56.8	-56.2	0	0	112.3	I306 A307 D308 I313 F314 F388 M420 I425 I471 V476	I306-M310 PolarHBondContact O-N 2.78Å; A307-M310 PolarHBondContact O-N 2.98Å; D308-M310 VanDerWaalsContact C-N 3.27Å; D308-M310 PolarHBondContact O-N 2.79Å; M310-I313 WeakPolarHBondContact O-CB 3.42Å; M310-I313 PolarHBondContact O-N 3.02Å; M310-I313 HydrophobicContact SD-CD1 4.25Å; M310-F314 HydrophobicContact CB-CE2 4Å; M310-F314 HydrophobicContact CB-CZ 4.08Å; M310-F314 HydrophobicContact CE-CE1 3.76Å; M310-F314 HydrophobicContact CE-CZ 3.56Å; M310-F314 WeakPolarHBondContact O-CD2 3.24Å; M310-F314 VanDerWaalsContact O-CG 3.23Å; M310-F314 WeakPolarHBondContact O-CG 3.39Å; M310-F314 PolarHBondContact O-N 3.33Å; M310-F388 HydrophobicContact CB-CE1 3.98Å; M310-F388 HydrophobicContact CB-CE2 4.28Å; M310-F388 HydrophobicContact CB-CZ 3.57Å; M310-F388 HydrophobicContact CG-CE2 4.44Å; M310-F388 HydrophobicContact CG-CZ 3.94Å; M310-M420 HydrophobicContact CE-SD 4.4Å; M310-I425 HydrophobicContact CE-CD1 3.64Å; M310-I425 HydrophobicContact SD-CD1 4.38Å; M310-I471 HydrophobicContact SD-CD1 3.77Å; M310-V476 HydrophobicContact CE-CG1 4.13Å; M310-V476 HydrophobicContact CE-CG2 4.18Å
311	V	98.8	Very high	98.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-45.6	174.8	165.8	0	0	0	0	111.8	A307 D308 I313 F314 K315 F339 E341 F388	A307-V311 WeakPolarHBondContact O-CG2 3.31Å; A307-V311 PolarHBondContact O-N 2.98Å; D308-V311 CarbonylContact O-C 3.25Å; D308-V311 WeakPolarHBondContact O-CA 3.4Å; D308-V311 WeakPolarHBondContact O-CB 3.28Å; D308-V311 PolarHBondContact O-N 3.09Å; V311-I313 VanDerWaalsContact C-N 3.29Å; V311-I313 PolarHBondContact O-N 2.98Å; V311-F314 PolarHBondContact O-N 3Å; V311-F314 VanDerWaalsContact O-N 3.13Å; V311-K315 HydrophobicContact CG1-CD 3.74Å; V311-K315 HydrophobicContact CG1-CG 4.39Å; V311-K315 WeakPolarHBondContact O-CG 3.09Å; V311-K315 PolarHBondContact O-N 2.85Å; V311-F339 HydrophobicContact CG1-CD2 4.23Å; V311-F339 HydrophobicContact CG1-CE2 3.96Å; V311-F339 HydrophobicContact CG2-CD2 4.17Å; V311-E341 HydrophobicContact CG1-CG 3.77Å; V311-F388 HydrophobicContact CG2-CE1 4.49Å
312	Q	98.8	Very high	98.7	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-36.7	176.3	-60.5	-50.3	-34.6	0	0	112.1	T209 D308 G316	T209-Q312 HydrophobicContact CG2-CB 3.96Å; T209-Q312 HydrophobicContact CG2-CG 3.93Å; D308-Q312 WeakPolarHBondContact O-CG 3.4Å; D308-Q312 PolarHBondContact O-N 2.84Å; D308-Q312 PolarHBondContact OD1-NE2 2.94Å; Q312-G316 PolarHBondContact O-N 2.93Å
313	I	98.9	Very high	98.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-49.1	172.1	-67.7	163.3	0	0	0	110.3	I202 L205 F206 T309 M310 V311 K315 G316 L317	I202-I313 HydrophobicContact CG1-CG2 4.2Å; I202-I313 HydrophobicContact CG2-CG2 4.33Å; L205-I313 HydrophobicContact CB-CB 4.46Å; L205-I313 HydrophobicContact CB-CG1 3.91Å; F206-I313 HydrophobicContact CB-CD1 3.95Å; F206-I313 HydrophobicContact CD2-CD1 4.17Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.44Å; T309-I313 PolarHBondContact O-N 2.99Å; T309-I313 VanDerWaalsContact O-N 3.17Å; M310-I313 WeakPolarHBondContact O-CB 3.42Å; M310-I313 PolarHBondContact O-N 3.02Å; M310-I313 HydrophobicContact SD-CD1 4.25Å; V311-I313 VanDerWaalsContact C-N 3.29Å; V311-I313 PolarHBondContact O-N 2.98Å; I313-K315 PolarHBondContact O-N 2.85Å; I313-G316 PolarHBondContact O-N 2.91Å; I313-L317 HydrophobicContact CG2-CD1 4.18Å; I313-L317 HydrophobicContact CG2-CG 4.32Å; I313-L317 WeakPolarHBondContact O-CB 3.44Å; I313-L317 VanDerWaalsContact O-CG 3.29Å; I313-L317 WeakPolarHBondContact O-CG 3.5Å; I313-L317 PolarHBondContact O-N 3.03Å
314	F	98.8	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-44.2	-178.9	-54.7	-37	0	0	0	112.4	M310 V311 L317 Q318 F337 F339 F388 M420 F480	M310-F314 HydrophobicContact CB-CE2 4Å; M310-F314 HydrophobicContact CB-CZ 4.08Å; M310-F314 HydrophobicContact CE-CE1 3.76Å; M310-F314 HydrophobicContact CE-CZ 3.56Å; M310-F314 WeakPolarHBondContact O-CD2 3.24Å; M310-F314 VanDerWaalsContact O-CG 3.23Å; M310-F314 WeakPolarHBondContact O-CG 3.39Å; M310-F314 PolarHBondContact O-N 3.33Å; V311-F314 PolarHBondContact O-N 3Å; V311-F314 VanDerWaalsContact O-N 3.13Å; F314-L317 PolarHBondContact O-N 3.14Å; F314-Q318 WeakPolarHBondContact O-CG 3.28Å; F314-Q318 PolarHBondContact O-N 2.95Å; F314-F337 HydrophobicContact CD1-CD1 4.34Å; F314-F337 HydrophobicContact CD1-CE1 4.17Å; F314-F337 HydrophobicContact CD2-CD1 4.44Å; F314-F337 AromaticContact CD2-CE1 3.91Å; F314-F337 HydrophobicContact CD2-CE1 3.91Å; F314-F337 HydrophobicContact CE1-CE1 4.02Å; F314-F337 AromaticContact CE2-CE1 3.76Å; F314-F337 HydrophobicContact CE2-CE1 3.76Å; F314-F337 HydrophobicContact CE2-CZ 4.44Å; F314-F337 HydrophobicContact CG-CD1 4.29Å; F314-F337 HydrophobicContact CG-CE1 4.13Å; F314-F337 AromaticContact CZ-CE1 3.82Å; F314-F337 HydrophobicContact CZ-CE1 3.82Å; F314-F337 HydrophobicContact CZ-CZ 4.19Å; F314-F339 HydrophobicContact CB-CD1 3.76Å; F314-F339 HydrophobicContact CB-CE1 3.48Å; F314-F339 VanDerWaalsContact CB-CE1 3.48Å; F314-F339 HydrophobicContact CB-CG 4.46Å; F314-F339 HydrophobicContact CB-CZ 3.98Å; F314-F339 HydrophobicContact CD2-CB 4.24Å; F314-F339 AromaticContact CD2-CD1 3.95Å; F314-F339 HydrophobicContact CD2-CD1 3.95Å; F314-F339 HydrophobicContact CD2-CE1 4.49Å; F314-F339 HydrophobicContact CD2-CG 4Å; F314-F339 HydrophobicContact CG-CD1 4.19Å; F314-F339 HydrophobicContact CG-CE1 4.4Å; F314-F388 HydrophobicContact CE2-CB 4.18Å; F314-F388 AromaticContact CE2-CD1 3.72Å; F314-F388 HydrophobicContact CE2-CD1 3.72Å; F314-F388 AromaticContact CE2-CD2 3.92Å; F314-F388 HydrophobicContact CE2-CD2 3.92Å; F314-F388 HydrophobicContact CE2-CE1 4.01Å; F314-F388 HydrophobicContact CE2-CE2 4.22Å; F314-F388 AromaticContact CE2-CG 3.68Å; F314-F388 HydrophobicContact CE2-CG 3.68Å; F314-F388 HydrophobicContact CE2-CZ 4.27Å; F314-F388 HydrophobicContact CZ-CD2 4.03Å; F314-F388 HydrophobicContact CZ-CE2 4.24Å; F314-F388 HydrophobicContact CZ-CG 4.24Å; F314-M420 HydrophobicContact CE1-CE 3.55Å; F314-M420 HydrophobicContact CE1-SD 3.97Å; F314-M420 HydrophobicContact CZ-CE 3.93Å; F314-M420 HydrophobicContact CZ-CG 4.42Å; F314-M420 HydrophobicContact CZ-SD 3.95Å; F314-F480 HydrophobicContact CB-CE2 4.38Å; F314-F480 AromaticContact CD1-CD2 3.87Å; F314-F480 HydrophobicContact CD1-CD2 3.87Å; F314-F480 AromaticContact CD1-CE2 3.99Å; F314-F480 HydrophobicContact CD1-CE2 3.99Å; F314-F480 HydrophobicContact CE1-CD2 4.35Å
315	K	98.8	Very high	98.5	Very high	58 Å²	58	39.1 Å²	39.1	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-52.6	174.6	-65.2	167.7	83.5	125.8	0	111.1	V311 I313 L317 Q318 E319 F339 E341	V311-K315 HydrophobicContact CG1-CD 3.74Å; V311-K315 HydrophobicContact CG1-CG 4.39Å; V311-K315 WeakPolarHBondContact O-CG 3.09Å; V311-K315 PolarHBondContact O-N 2.85Å; I313-K315 PolarHBondContact O-N 2.85Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 3.39Å; K315-Q318 PolarHBondContact O-N 3.04Å; K315-Q318 VanDerWaalsContact O-N 3.12Å; K315-E319 WeakPolarHBondContact O-CG 3.39Å; K315-E319 PolarHBondContact O-N 3.44Å; K315-F339 HydrophobicContact CD-CE2 4.47Å; K315-F339 HydrophobicContact CG-CE2 3.97Å; K315-F339 HydrophobicContact CG-CZ 3.69Å; K315-E341 WeakPolarHBondContact CD-OE1 3.12Å; K315-E341 IonicContact NZ-OE1 2.81Å; K315-E341 PolarHBondContact NZ-OE1 3.19Å; K315-E341 IonicContact NZ-OE2 3.48Å; K315-E341 PolarHBondContact NZ-OE2 3.32Å
316	G	98.8	Very high	98.5	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-32.2	179.4	0	0	0	0	0	113.7	Q312 I313 R320	Q312-G316 PolarHBondContact O-N 2.93Å; I313-G316 PolarHBondContact O-N 2.91Å; G316-R320 WeakPolarHBondContact O-CB 3.39Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.21Å; G316-R320 PolarHBondContact O-N 3.31Å
317	L	98.7	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-48.7	172.1	-72.7	-176	0	0	0	112.5	L198 I202 L205 I313 F314 K315 E319 F321 F480	L198-L317 HydrophobicContact CD2-CD1 4.09Å; L198-L317 HydrophobicContact CD2-CD2 4.32Å; L198-L317 HydrophobicContact CG-CD1 4.45Å; L198-L317 HydrophobicContact CG-CD2 3.93Å; I202-L317 HydrophobicContact CD1-CD1 4.31Å; I202-L317 HydrophobicContact CG1-CD1 3.82Å; I202-L317 HydrophobicContact CG1-CD2 4.25Å; I202-L317 HydrophobicContact CG1-CG 4.46Å; L205-L317 HydrophobicContact CD1-CD2 3.93Å; L205-L317 HydrophobicContact CD1-CG 4.03Å; I313-L317 HydrophobicContact CG2-CD1 4.18Å; I313-L317 HydrophobicContact CG2-CG 4.32Å; I313-L317 WeakPolarHBondContact O-CB 3.44Å; I313-L317 VanDerWaalsContact O-CG 3.29Å; I313-L317 WeakPolarHBondContact O-CG 3.5Å; I313-L317 PolarHBondContact O-N 3.03Å; F314-L317 PolarHBondContact O-N 3.14Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 3.39Å; L317-E319 VanDerWaalsContact C-N 3.28Å; L317-E319 PolarHBondContact O-N 3.02Å; L317-F321 HydrophobicContact CD2-CB 4.46Å; L317-F321 HydrophobicContact CD2-CD2 3.79Å; L317-F321 HydrophobicContact CD2-CE2 4.34Å; L317-F321 HydrophobicContact CD2-CG 4.24Å; L317-F321 WeakPolarHBondContact O-CA 3.28Å; L317-F321 WeakPolarHBondContact O-CB 3.27Å; L317-F321 PolarHBondContact O-N 2.95Å; L317-F480 HydrophobicContact CB-CE1 4.04Å; L317-F480 HydrophobicContact CB-CE2 4.35Å; L317-F480 HydrophobicContact CB-CZ 3.67Å; L317-F480 HydrophobicContact CD1-CD1 3.89Å; L317-F480 HydrophobicContact CD1-CD2 4.12Å; L317-F480 HydrophobicContact CD1-CE1 3.7Å; L317-F480 HydrophobicContact CD1-CE2 3.94Å; L317-F480 HydrophobicContact CD1-CG 4.1Å; L317-F480 HydrophobicContact CD1-CZ 3.72Å; L317-F480 HydrophobicContact CG-CZ 4.39Å
318	Q	98.3	Very high	98.4	Very high	67 Å²	67	42.5 Å²	42.5	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-32.8	-179.4	-69.9	-179.3	0.9	0	0	112.6	F314 K315 Q322 F337 F480	F314-Q318 WeakPolarHBondContact O-CG 3.28Å; F314-Q318 PolarHBondContact O-N 2.95Å; K315-Q318 PolarHBondContact O-N 3.04Å; K315-Q318 VanDerWaalsContact O-N 3.12Å; Q318-Q322 PolarHBondContact O-NE2 3.36Å; Q318-F337 PolarHBondContact NE2-O 3.4Å; Q318-F480 HydrophobicContact CG-CZ 4.26Å
319	E	98.3	Very high	98.3	Very high	143 Å²	143	42.2 Å²	42.2	67%	0.668	20%	0.202	S	C	*	.	H	α-helix	trans	-78.1	-55.3	175.1	-69.8	173.7	-170.3	0	0	113	K315 L317	K315-E319 WeakPolarHBondContact O-CG 3.39Å; K315-E319 PolarHBondContact O-N 3.44Å; L317-E319 VanDerWaalsContact C-N 3.28Å; L317-E319 PolarHBondContact O-N 3.02Å
320	R	98.6	Very high	98.1	Very high	122 Å²	122	49.9 Å²	49.9	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-90.1	-23	-165.4	-53.2	176.1	-173.9	-174.5	2.8	113.7	E208 G316	E208-R320 IonicContact OE1-CZ 3.16Å; E208-R320 IonicContact OE1-NH1 2.74Å; E208-R320 PolarHBondContact OE1-NH1 3.17Å; E208-R320 IonicContact OE1-NH2 3.39Å; E208-R320 PolarHBondContact OE1-NH2 2.87Å; E208-R320 IonicContact OE2-CZ 2.78Å; E208-R320 IonicContact OE2-NH1 3.21Å; E208-R320 PolarHBondContact OE2-NH1 2.91Å; E208-R320 IonicContact OE2-NH2 2.94Å; E208-R320 PolarHBondContact OE2-NH2 3.47Å; G316-R320 WeakPolarHBondContact O-CB 3.39Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.21Å; G316-R320 PolarHBondContact O-N 3.31Å
321	F	98.4	Very high	97.9	Very high	36 Å²	36	50.1 Å²	50.1	16%	0.158	24%	0.237	C	C	.	.			trans	-120.4	20.2	-170.4	-66.4	-90.8	0	0	0	114.1	R197 L317 T323 E324 I325	R197-F321 WeakPolarHBondContact O-CE1 3.27Å; L317-F321 HydrophobicContact CD2-CB 4.46Å; L317-F321 HydrophobicContact CD2-CD2 3.79Å; L317-F321 HydrophobicContact CD2-CE2 4.34Å; L317-F321 HydrophobicContact CD2-CG 4.24Å; L317-F321 WeakPolarHBondContact O-CA 3.28Å; L317-F321 WeakPolarHBondContact O-CB 3.27Å; L317-F321 PolarHBondContact O-N 2.95Å; F321-T323 PolarHBondContact O-N 3.08Å; F321-T323 VanDerWaalsContact O-N 3.13Å; F321-E324 HydrophobicContact CD1-CG 4.47Å; F321-E324 WeakPolarHBondContact O-CB 3.48Å; F321-E324 PolarHBondContact O-N 2.74Å; F321-I325 WeakPolarHBondContact O-CG1 3.44Å; F321-I325 PolarHBondContact O-N 2.84Å
322	Q	97.9	Very high	97.8	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-28.9	-178.8	-167.5	63.5	-99.2	0	0	113.3	Q318 Q326	Q318-Q322 PolarHBondContact O-NE2 3.36Å; Q322-Q326 HydrophobicContact CG-CG 4.46Å; Q322-Q326 WeakPolarHBondContact O-CB 3.44Å; Q322-Q326 VanDerWaalsContact O-CG 3.25Å; Q322-Q326 WeakPolarHBondContact O-CG 3.19Å; Q322-Q326 PolarHBondContact O-N 3.38Å; Q322-Q326 VanDerWaalsContact OE1-NE2 3.11Å
323	T	96.4	Very high	97.6	Very high	81 Å²	81	53 Å²	53	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-43.7	175.5	-60.8	0	0	0	0	111.4	F321 T327	F321-T323 PolarHBondContact O-N 3.08Å; F321-T323 VanDerWaalsContact O-N 3.13Å; T323-T327 WeakPolarHBondContact O-CB 3.28Å; T323-T327 PolarHBondContact O-N 3.24Å; T323-T327 PolarHBondContact O-OG1 2.82Å
324	E	98.4	Very high	97.5	Very high	23 Å²	23	55 Å²	55	11%	0.107	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-45.5	177.3	-73.1	60.4	-144.1	0	0	110.8	Q84 A194 R197 F321 Q326 T327 V328	Q84-E324 PolarHBondContact NE2-OE1 2.98Å; A194-E324 HydrophobicContact CB-CB 3.92Å; A194-E324 HydrophobicContact CB-CG 4.14Å; R197-E324 HydrophobicContact CB-CG 3.84Å; F321-E324 HydrophobicContact CD1-CG 4.47Å; F321-E324 WeakPolarHBondContact O-CB 3.48Å; F321-E324 PolarHBondContact O-N 2.74Å; E324-Q326 PolarHBondContact O-N 3.44Å; E324-T327 WeakPolarHBondContact O-CA 3.48Å; E324-T327 WeakPolarHBondContact O-CB 3.36Å; E324-T327 PolarHBondContact O-N 3.11Å; E324-V328 PolarHBondContact O-N 2.99Å
325	I	98.6	Very high	97.4	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.138	30%	0.297	C	S	.	.	H	α-helix	trans	-55.3	-51.2	175.8	-65.8	168.6	0	0	0	110.5	L198 F321 T327 V328 N329 F480	L198-I325 HydrophobicContact CD1-CD1 4.39Å; L198-I325 HydrophobicContact CD1-CG1 3.58Å; F321-I325 WeakPolarHBondContact O-CG1 3.44Å; F321-I325 PolarHBondContact O-N 2.84Å; I325-T327 PolarHBondContact O-N 2.84Å; I325-V328 PolarHBondContact O-N 3.34Å; I325-N329 WeakPolarHBondContact O-CB 3.39Å; I325-N329 PolarHBondContact O-N 3.13Å; I325-F480 HydrophobicContact CD1-CE1 3.89Å; I325-F480 HydrophobicContact CD1-CZ 4.23Å; I325-F480 HydrophobicContact CG1-CE1 4.21Å
326	Q	97.6	Very high	97.4	Very high	86 Å²	86	62.6 Å²	62.6	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-67.8	-22.8	177.9	-64.8	-57.3	-35.1	0	0	113.5	Q322 E324 K330	Q322-Q326 HydrophobicContact CG-CG 4.46Å; Q322-Q326 WeakPolarHBondContact O-CB 3.44Å; Q322-Q326 VanDerWaalsContact O-CG 3.25Å; Q322-Q326 WeakPolarHBondContact O-CG 3.19Å; Q322-Q326 PolarHBondContact O-N 3.38Å; Q322-Q326 VanDerWaalsContact OE1-NE2 3.11Å; E324-Q326 PolarHBondContact O-N 3.44Å; Q326-K330 WeakPolarHBondContact O-CG 3.42Å; Q326-K330 PolarHBondContact O-N 2.94Å
327	T	96.8	Very high	97.4	Very high	27 Å²	27	62.8 Å²	62.8	17%	0.166	32%	0.317	C	S	.	.	H	α-helix	trans	-73.5	-39.4	173.7	-61.5	0	0	0	0	111.1	A194 T323 E324 I325	A194-T327 HydrophobicContact CB-CG2 3.86Å; T323-T327 WeakPolarHBondContact O-CB 3.28Å; T323-T327 PolarHBondContact O-N 3.24Å; T323-T327 PolarHBondContact O-OG1 2.82Å; E324-T327 WeakPolarHBondContact O-CA 3.48Å; E324-T327 WeakPolarHBondContact O-CB 3.36Å; E324-T327 PolarHBondContact O-N 3.11Å; I325-T327 PolarHBondContact O-N 2.84Å
328	V	98.1	Very high	97.4	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-45.7	174.4	-179.4	0	0	0	0	111.2	T191 A194 V195 E324 I325 K330 Q331 F332 L481 L483	T191-V328 HydrophobicContact CG2-CG1 4.32Å; T191-V328 HydrophobicContact CG2-CG2 4.35Å; A194-V328 HydrophobicContact CB-CG2 3.82Å; V195-V328 HydrophobicContact CG2-CG1 4.46Å; V195-V328 HydrophobicContact CG2-CG2 3.74Å; E324-V328 PolarHBondContact O-N 2.99Å; I325-V328 PolarHBondContact O-N 3.34Å; V328-K330 PolarHBondContact O-N 2.83Å; V328-K330 VanDerWaalsContact O-N 3.08Å; V328-Q331 PolarHBondContact O-N 2.91Å; V328-F332 HydrophobicContact CG1-CB 4.44Å; V328-F332 HydrophobicContact CG1-CD2 4.35Å; V328-F332 PolarHBondContact O-N 2.95Å; V328-L481 HydrophobicContact CB-CD2 4.16Å; V328-L481 HydrophobicContact CG1-CB 4.48Å; V328-L481 HydrophobicContact CG1-CD1 4.31Å; V328-L481 HydrophobicContact CG1-CD2 4.18Å; V328-L481 HydrophobicContact CG2-CD1 4.24Å; V328-L481 HydrophobicContact CG2-CD2 4.35Å; V328-L483 HydrophobicContact CG1-CD2 4.14Å
329	N	97.1	Very high	97.4	Very high	51 Å²	51	65 Å²	65	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-57.1	-26.8	-178.1	-170.4	44.7	0	0	0	113.7	I325 F332 P333 C334	I325-N329 WeakPolarHBondContact O-CB 3.39Å; I325-N329 PolarHBondContact O-N 3.13Å; N329-F332 WeakPolarHBondContact CA-O 3.35Å; N329-F332 CarbonylContact O-C 3.55Å; N329-P333 WeakPolarHBondContact O-CA 3.28Å; N329-P333 WeakPolarHBondContact OD1-CA 3.48Å; N329-C334 PolarHBondContact OD1-N 2.88Å; N329-C334 PolarHBondContact OD1-O 3.26Å
330	K	94.9	Very high	97.4	Very high	163 Å²	163	61.3 Å²	61.3	71%	0.709	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.2	174.7	-76.2	173.6	-174.6	-177.8	0	114.3	Q326 V328	Q326-K330 WeakPolarHBondContact O-CG 3.42Å; Q326-K330 PolarHBondContact O-N 2.94Å; V328-K330 PolarHBondContact O-N 2.83Å; V328-K330 VanDerWaalsContact O-N 3.08Å
331	Q	95.2	Very high	97.3	Very high	9 Å²	9	60.9 Å²	60.9	4%	0.042	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-35.4	176.6	-174.6	173.6	8.3	0	0	112.2	A159 V160 R161 T191 V328	A159-Q331 PolarHBondContact O-NE2 2.69Å; V160-Q331 VanDerWaalsContact O-CD 3.3Å; V160-Q331 WeakPolarHBondContact O-CG 3.46Å; R161-Q331 PolarHBondContact O-NE2 3.28Å; R161-Q331 VanDerWaalsContact O-NE2 3.16Å; T191-Q331 HydrophobicContact CG2-CB 4.25Å; T191-Q331 PolarHBondContact OG1-OE1 3.07Å; V328-Q331 PolarHBondContact O-N 2.91Å
332	F	95.9	Very high	97.3	Very high	25 Å²	25	65 Å²	65	11%	0.11	34%	0.344	C	S	.	.	S	Bend	trans	-125.1	84.8	179.1	-60.7	-74	0	0	0	108.7	T191 V328 N329 C334 L483	T191-F332 HydrophobicContact CG2-CD2 3.87Å; T191-F332 HydrophobicContact CG2-CE2 3.8Å; V328-F332 HydrophobicContact CG1-CB 4.44Å; V328-F332 HydrophobicContact CG1-CD2 4.35Å; V328-F332 PolarHBondContact O-N 2.95Å; N329-F332 WeakPolarHBondContact CA-O 3.35Å; N329-F332 CarbonylContact O-C 3.55Å; F332-C334 PolarHBondContact O-N 2.86Å; F332-L483 HydrophobicContact CB-CD2 3.73Å; F332-L483 HydrophobicContact CD1-CD2 4.27Å; F332-L483 HydrophobicContact CD2-CD2 3.63Å; F332-L483 HydrophobicContact CE2-CD2 4.33Å; F332-L483 HydrophobicContact CG-CD2 3.6Å
333	P	96.3	Very high	97.3	Very high	106 Å²	106	62.4 Å²	62.4	69%	0.688	33%	0.334	S	S	*	.			trans	-60.4	126.5	-178.6	-25	35.7	0	0	0	112	N329	N329-P333 WeakPolarHBondContact O-CA 3.28Å; N329-P333 WeakPolarHBondContact OD1-CA 3.48Å
334	C	96.6	Very high	97.4	Very high	43 Å²	43	59.7 Å²	59.7	29%	0.291	32%	0.316	S	S	.	.			trans	-145.7	146.4	176.9	-166.7	0	0	0	0	110.9	N329 F332 R421	N329-C334 PolarHBondContact OD1-N 2.88Å; N329-C334 PolarHBondContact OD1-O 3.26Å; F332-C334 PolarHBondContact O-N 2.86Å; C334-R421 PolarHBondContact SG-NH2 3.24Å; C334-R421 VanDerWaalsContact SG-NH2 3.44Å
335	E	96.8	Very high	97.4	Very high	112 Å²	112	63.3 Å²	63.3	52%	0.523	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.3	141.2	170.6	-64.1	-172.8	147.9	0	0	110.7	F337 K381 R421	E335-F337 PolarHBondContact O-N 3.04Å; E335-K381 IonicContact OE2-NZ 3.06Å; E335-K381 PolarHBondContact OE2-NZ 3.07Å; E335-R421 PolarHBondContact O-NH2 2.87Å
336	P	97.8	Very high	97.4	Very high	105 Å²	105	62.3 Å²	62.3	68%	0.682	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-51.3	134.5	172.5	-26.3	35	0	0	0	111.7	K338	P336-K338 PolarHBondContact O-N 3.25Å
337	F	98.5	Very high	97.5	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.035	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-64.1	123.9	-178.3	-172.7	-93.2	0	0	0	111.4	F314 Q318 E335 F339 D387 F388 M420 R421 F480	F314-F337 HydrophobicContact CD1-CD1 4.34Å; F314-F337 HydrophobicContact CD1-CE1 4.17Å; F314-F337 HydrophobicContact CD2-CD1 4.44Å; F314-F337 AromaticContact CD2-CE1 3.91Å; F314-F337 HydrophobicContact CD2-CE1 3.91Å; F314-F337 HydrophobicContact CE1-CE1 4.02Å; F314-F337 AromaticContact CE2-CE1 3.76Å; F314-F337 HydrophobicContact CE2-CE1 3.76Å; F314-F337 HydrophobicContact CE2-CZ 4.44Å; F314-F337 HydrophobicContact CG-CD1 4.29Å; F314-F337 HydrophobicContact CG-CE1 4.13Å; F314-F337 AromaticContact CZ-CE1 3.82Å; F314-F337 HydrophobicContact CZ-CE1 3.82Å; F314-F337 HydrophobicContact CZ-CZ 4.19Å; Q318-F337 PolarHBondContact NE2-O 3.4Å; E335-F337 PolarHBondContact O-N 3.04Å; F337-F339 HydrophobicContact CD1-CD1 4.16Å; F337-F339 HydrophobicContact CE1-CB 4.42Å; F337-F339 HydrophobicContact CE1-CD1 4.45Å; F337-D387 HydrophobicContact CD2-CB 3.7Å; F337-D387 HydrophobicContact CE1-CB 4.42Å; F337-D387 HydrophobicContact CE2-CB 3.39Å; F337-D387 HydrophobicContact CG-CB 4.33Å; F337-D387 HydrophobicContact CZ-CB 3.78Å; F337-F388 HydrophobicContact CE1-CB 3.95Å; F337-F388 HydrophobicContact CZ-CB 3.85Å; F337-M420 HydrophobicContact CD2-CE 4.11Å; F337-M420 HydrophobicContact CE1-CE 4.1Å; F337-M420 HydrophobicContact CE2-CB 4.01Å; F337-M420 HydrophobicContact CE2-CE 3.49Å; F337-M420 VanDerWaalsContact CE2-CE 3.49Å; F337-M420 HydrophobicContact CE2-CG 4.18Å; F337-M420 HydrophobicContact CZ-CB 4.16Å; F337-M420 HydrophobicContact CZ-CE 3.5Å; F337-M420 VanDerWaalsContact CZ-CE 3.5Å; F337-M420 HydrophobicContact CZ-CG 3.86Å; F337-M420 HydrophobicContact CZ-SD 4.44Å; F337-R421 HydrophobicContact CD2-CG 4.29Å; F337-R421 HydrophobicContact CE2-CG 4.06Å; F337-F480 HydrophobicContact CB-CD2 3.95Å; F337-F480 HydrophobicContact CB-CE2 3.96Å; F337-F480 HydrophobicContact CD1-CD2 4.08Å; F337-F480 HydrophobicContact CD1-CE2 4.24Å; F337-F480 AromaticContact CG-CD2 3.92Å; F337-F480 HydrophobicContact CG-CD2 3.92Å; F337-F480 HydrophobicContact CG-CE2 4.26Å
338	K	98.5	Very high	97.5	Very high	75 Å²	75	60.7 Å²	60.7	33%	0.326	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-99.4	141.4	-179.1	-59.2	-173.1	-176.8	-177	0	112.1	P336 D385 D387 F388	P336-K338 PolarHBondContact O-N 3.25Å; K338-D385 WeakPolarHBondContact CB-O 3.48Å; K338-D385 WeakPolarHBondContact CD-O 3.34Å; K338-D385 VanDerWaalsContact CD-OD1 3.29Å; K338-D385 WeakPolarHBondContact CD-OD1 3.36Å; K338-D385 IonicContact NZ-OD1 3.26Å; K338-D385 PolarHBondContact NZ-OD1 2.98Å; K338-D385 IonicContact NZ-OD2 3.63Å; K338-D385 PolarHBondContact NZ-OD2 3.26Å; K338-D387 PolarHBondContact N-OD2 3.3Å; K338-D387 WeakPolarHBondContact O-CA 3.4Å; K338-D387 WeakPolarHBondContact O-CB 3.36Å; K338-D387 PolarHBondContact O-N 2.81Å; K338-F388 PolarHBondContact O-N 3.08Å
339	F	98.7	Very high	97.5	Very high	38 Å²	38	63.6 Å²	63.6	17%	0.167	33%	0.334	C	S	.	.			trans	-148.6	161.7	174.1	58.4	-87.3	0	0	0	109.9	V311 F314 K315 F337 F388	V311-F339 HydrophobicContact CG1-CD2 4.23Å; V311-F339 HydrophobicContact CG1-CE2 3.96Å; V311-F339 HydrophobicContact CG2-CD2 4.17Å; F314-F339 HydrophobicContact CB-CD1 3.76Å; F314-F339 HydrophobicContact CB-CE1 3.48Å; F314-F339 VanDerWaalsContact CB-CE1 3.48Å; F314-F339 HydrophobicContact CB-CG 4.46Å; F314-F339 HydrophobicContact CB-CZ 3.98Å; F314-F339 HydrophobicContact CD2-CB 4.24Å; F314-F339 AromaticContact CD2-CD1 3.95Å; F314-F339 HydrophobicContact CD2-CD1 3.95Å; F314-F339 HydrophobicContact CD2-CE1 4.49Å; F314-F339 HydrophobicContact CD2-CG 4Å; F314-F339 HydrophobicContact CG-CD1 4.19Å; F314-F339 HydrophobicContact CG-CE1 4.4Å; K315-F339 HydrophobicContact CD-CE2 4.47Å; K315-F339 HydrophobicContact CG-CE2 3.97Å; K315-F339 HydrophobicContact CG-CZ 3.69Å; F337-F339 HydrophobicContact CD1-CD1 4.16Å; F337-F339 HydrophobicContact CE1-CB 4.42Å; F337-F339 HydrophobicContact CE1-CD1 4.45Å; F339-F388 HydrophobicContact CB-CB 4Å
340	L	98.3	Very high	97.6	Very high	66 Å²	66	65.6 Å²	65.6	35%	0.346	34%	0.341	S	S	.	.			trans	-110.7	151.3	179.8	-60.9	175.5	0	0	0	111.3	P342 T343 L344 T386	L340-P342 CarbonylContact C-O 3.57Å; L340-P342 WeakPolarHBondContact CB-O 3.37Å; L340-P342 CarbonylContact O-C 3.58Å; L340-T343 WeakPolarHBondContact O-CA 3.46Å; L340-T343 PolarHBondContact O-N 3.08Å; L340-L344 HydrophobicContact CD1-CB 4.39Å; L340-T386 HydrophobicContact CD1-CG2 4.33Å
341	E	97.4	Very high	97.7	Very high	114 Å²	114	57.9 Å²	57.9	53%	0.533	31%	0.308	S	S	.	.	S	Bend	trans	-124.3	107.9	168.8	-75.8	174.6	-122.1	0	0	107.6	V311 K315	V311-E341 HydrophobicContact CG1-CG 3.77Å; K315-E341 WeakPolarHBondContact CD-OE1 3.12Å; K315-E341 IonicContact NZ-OE1 2.81Å; K315-E341 PolarHBondContact NZ-OE1 3.19Å; K315-E341 IonicContact NZ-OE2 3.48Å; K315-E341 PolarHBondContact NZ-OE2 3.32Å
342	P	97	Very high	97.8	Very high	123 Å²	123	57.6 Å²	57.6	80%	0.799	31%	0.307	S	S	*	.	S	Bend	cis	-70.5	155.1	0.7	31.9	-36.7	0	0	0	113.6	L340	L340-P342 CarbonylContact C-O 3.57Å; L340-P342 WeakPolarHBondContact CB-O 3.37Å; L340-P342 CarbonylContact O-C 3.58Å
343	T	98.6	Very high	97.9	Very high	27 Å²	27	59 Å²	59	17%	0.166	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-58.8	136.1	176.2	-55.2	0	0	0	0	111.5	A307 L340 R345 F388 I390	A307-T343 HydrophobicContact CB-CG2 4.41Å; L340-T343 WeakPolarHBondContact O-CA 3.46Å; L340-T343 PolarHBondContact O-N 3.08Å; T343-R345 PolarHBondContact O-N 2.95Å; T343-F388 HydrophobicContact CG2-CD1 3.58Å; T343-F388 HydrophobicContact CG2-CE1 3.45Å; T343-F388 VanDerWaalsContact CG2-CE1 3.45Å; T343-F388 HydrophobicContact CG2-CZ 4.39Å; T343-I390 HydrophobicContact CG2-CD1 3.93Å; T343-I390 HydrophobicContact CG2-CG1 3.85Å
344	L	98.8	Very high	98	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.7	174.4	179.5	65.7	0	0	0	111	L340 L346 V380 Y384 T386 Y389 I390	L340-L344 HydrophobicContact CD1-CB 4.39Å; L344-L346 HydrophobicContact CD1-CD2 4.26Å; L344-L346 HydrophobicContact CG-CG 4.42Å; L344-V380 HydrophobicContact CD2-CG1 3.62Å; L344-Y384 HydrophobicContact CD1-CD1 4.42Å; L344-Y384 HydrophobicContact CD1-CD2 4.42Å; L344-Y384 HydrophobicContact CD1-CE1 4.43Å; L344-Y384 HydrophobicContact CD1-CE2 4.39Å; L344-Y384 HydrophobicContact CD1-CG 4.41Å; L344-Y384 HydrophobicContact CD2-CD2 3.4Å; L344-Y384 VanDerWaalsContact CD2-CD2 3.4Å; L344-Y384 HydrophobicContact CD2-CE2 3.88Å; L344-Y384 HydrophobicContact CD2-CG 3.78Å; L344-T386 HydrophobicContact CB-CG2 4.35Å; L344-T386 HydrophobicContact CD2-CG2 3.9Å; L344-Y389 WeakPolarHBondContact O-CA 3.04Å; L344-I390 PolarHBondContact O-N 3.47Å
345	R	98.8	Very high	98.1	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.8	168.7	179.4	178.1	71.1	-140.1	5.2	109.3	M303 E304 T343 I390 D392	M303-R345 HydrophobicContact CE-CG 4.48Å; E304-R345 IonicContact OE1-NH1 3.75Å; E304-R345 PolarHBondContact OE1-NH1 3.41Å; T343-R345 PolarHBondContact O-N 2.95Å; R345-I390 WeakPolarHBondContact CA-O 3.37Å; R345-I390 HydrophobicContact CB-CB 4.41Å; R345-I390 HydrophobicContact CG-CB 4.45Å; R345-D392 HydrophobicContact CG-CB 4.2Å
346	L	98.7	Very high	98.1	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.2	168.2	-59.9	175.3	0	0	0	108.7	L344 E350 M354 V380 Y384 I390 L391 D392	L344-L346 HydrophobicContact CD1-CD2 4.26Å; L344-L346 HydrophobicContact CG-CG 4.42Å; L346-E350 WeakPolarHBondContact CA-OE2 3.48Å; L346-M354 HydrophobicContact CD1-SD 4.05Å; L346-V380 HydrophobicContact CD1-CG2 3.82Å; L346-Y384 HydrophobicContact CD2-CE2 4.45Å; L346-I390 PolarHBondContact N-O 2.94Å; L346-L391 HydrophobicContact CB-CD1 4.06Å; L346-L391 CarbonylContact O-C 3.55Å; L346-L391 WeakPolarHBondContact O-CA 3.48Å; L346-D392 PolarHBondContact O-N 2.7Å
347	E	98.6	Very high	98.1	Very high	76 Å²	76	55.5 Å²	55.5	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	154.9	165.6	-67.5	-171.4	-176	0	0	110.9	C349 E350 A351 D392 K393	E347-C349 PolarHBondContact O-N 3.06Å; E347-C349 VanDerWaalsContact O-N 3.14Å; E347-E350 HydrophobicContact CB-CG 4.39Å; E347-E350 PolarHBondContact N-OE2 3.37Å; E347-E350 WeakPolarHBondContact O-CA 3.1Å; E347-E350 WeakPolarHBondContact O-CB 2.82Å; E347-E350 PolarHBondContact O-N 2.66Å; E347-A351 PolarHBondContact O-N 3.47Å; E347-D392 CarbonylContact C-O 3.48Å; E347-D392 WeakPolarHBondContact CA-O 3.49Å; E347-K393 HydrophobicContact CB-CB 4.4Å; E347-K393 HydrophobicContact CG-CB 4.38Å; E347-K393 HydrophobicContact CG-CG 3.99Å
348	Y	98.2	Very high	98	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-53.8	-37.5	-176.9	-159.2	-99.5	0	0	0	113.4	E350 A351 L352 M362 D366 L368 L391 D392 K393 Y394 P395	Y348-E350 VanDerWaalsContact C-N 3.33Å; Y348-E350 PolarHBondContact O-N 3.22Å; Y348-A351 PolarHBondContact O-N 2.9Å; Y348-L352 HydrophobicContact CD1-CD1 3.74Å; Y348-L352 HydrophobicContact CD1-CG 4Å; Y348-L352 HydrophobicContact CE1-CD1 3.78Å; Y348-L352 HydrophobicContact CE1-CD2 4.13Å; Y348-L352 HydrophobicContact CE1-CG 3.91Å; Y348-L352 WeakPolarHBondContact O-CG 3.5Å; Y348-L352 PolarHBondContact O-N 3.19Å; Y348-M362 VanDerWaalsContact OH-CE 3.26Å; Y348-M362 WeakPolarHBondContact OH-CE 3.45Å; Y348-D366 PolarHBondContact OH-O 3.46Å; Y348-L368 HydrophobicContact CE2-CD1 4.07Å; Y348-L368 HydrophobicContact CE2-CG 4.01Å; Y348-L368 PolarHBondContact OH-N 3.32Å; Y348-L391 HydrophobicContact CD2-CD2 3.86Å; Y348-L391 HydrophobicContact CD2-CG 4.17Å; Y348-L391 HydrophobicContact CE2-CD2 4.15Å; Y348-D392 PolarHBondContact N-O 3.28Å; Y348-K393 WeakPolarHBondContact CB-O 3.36Å; Y348-Y394 AromaticContact CD2-CD1 3.87Å; Y348-Y394 HydrophobicContact CD2-CD1 3.87Å; Y348-Y394 AromaticContact CD2-CD2 3.7Å; Y348-Y394 HydrophobicContact CD2-CD2 3.7Å; Y348-Y394 HydrophobicContact CD2-CE1 4.08Å; Y348-Y394 AromaticContact CD2-CE2 3.89Å; Y348-Y394 HydrophobicContact CD2-CE2 3.89Å; Y348-Y394 AromaticContact CD2-CG 3.7Å; Y348-Y394 HydrophobicContact CD2-CG 3.7Å; Y348-Y394 AromaticContact CE2-CD1 3.6Å; Y348-Y394 HydrophobicContact CE2-CD1 3.6Å; Y348-Y394 HydrophobicContact CE2-CD2 4.22Å; Y348-Y394 AromaticContact CE2-CE1 3.58Å; Y348-Y394 HydrophobicContact CE2-CE1 3.58Å; Y348-Y394 HydrophobicContact CE2-CE2 4.19Å; Y348-Y394 AromaticContact CE2-CG 3.95Å; Y348-Y394 HydrophobicContact CE2-CG 3.95Å; Y348-Y394 AromaticContact CE2-CZ 3.89Å; Y348-P395 HydrophobicContact CD1-CG 3.9Å; Y348-P395 HydrophobicContact CE1-CG 3.67Å
349	C	97.1	Very high	98	Very high	62 Å²	62	57 Å²	57	42%	0.419	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-30.7	175.6	54.2	0	0	0	0	113.7	E347 A353	E347-C349 PolarHBondContact O-N 3.06Å; E347-C349 VanDerWaalsContact O-N 3.14Å; C349-A353 WeakPolarHBondContact O-CB 3.31Å; C349-A353 PolarHBondContact O-N 3.12Å
350	E	98.3	Very high	97.9	Very high	93 Å²	93	56.5 Å²	56.5	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-73.3	-40	176	-57.9	-178.3	114.3	0	0	110.8	L346 E347 Y348 A353 M354	L346-E350 WeakPolarHBondContact CA-OE2 3.48Å; E347-E350 HydrophobicContact CB-CG 4.39Å; E347-E350 PolarHBondContact N-OE2 3.37Å; E347-E350 WeakPolarHBondContact O-CA 3.1Å; E347-E350 WeakPolarHBondContact O-CB 2.82Å; E347-E350 PolarHBondContact O-N 2.66Å; Y348-E350 VanDerWaalsContact C-N 3.33Å; Y348-E350 PolarHBondContact O-N 3.22Å; E350-A353 WeakPolarHBondContact O-CB 3.34Å; E350-A353 PolarHBondContact O-N 3.29Å; E350-M354 WeakPolarHBondContact O-CG 3.47Å; E350-M354 PolarHBondContact O-N 3.44Å
351	A	97.9	Very high	97.7	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-43.6	172.6	0	0	0	0	0	112.4	E347 Y348 A353 M354 L355 L376 L391	E347-A351 PolarHBondContact O-N 3.47Å; Y348-A351 PolarHBondContact O-N 2.9Å; A351-A353 VanDerWaalsContact C-N 3.3Å; A351-A353 PolarHBondContact O-N 3.13Å; A351-M354 PolarHBondContact O-N 3.26Å; A351-L355 WeakPolarHBondContact O-CB 3.21Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 3.19Å; A351-L376 HydrophobicContact CB-CD1 3.79Å; A351-L376 HydrophobicContact CB-CD2 3.6Å; A351-L376 HydrophobicContact CB-CG 4.37Å; A351-L391 HydrophobicContact CB-CD1 3.53Å; A351-L391 HydrophobicContact CB-CD2 4.02Å; A351-L391 HydrophobicContact CB-CG 4.46Å
352	L	97.3	Very high	97.5	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-40	172.7	-73.4	176.4	0	0	0	111.8	Y348 L355 R356 M362	Y348-L352 HydrophobicContact CD1-CD1 3.74Å; Y348-L352 HydrophobicContact CD1-CG 4Å; Y348-L352 HydrophobicContact CE1-CD1 3.78Å; Y348-L352 HydrophobicContact CE1-CD2 4.13Å; Y348-L352 HydrophobicContact CE1-CG 3.91Å; Y348-L352 WeakPolarHBondContact O-CG 3.5Å; Y348-L352 PolarHBondContact O-N 3.19Å; L352-L355 PolarHBondContact O-N 2.93Å; L352-R356 VanDerWaalsContact O-CB 3.3Å; L352-R356 WeakPolarHBondContact O-CB 3.48Å; L352-R356 WeakPolarHBondContact O-CD 3.49Å; L352-R356 WeakPolarHBondContact O-CG 3.27Å; L352-R356 PolarHBondContact O-N 3.39Å; L352-M362 HydrophobicContact CD2-CB 4.29Å; L352-M362 HydrophobicContact CD2-CE 3.92Å; L352-M362 HydrophobicContact CD2-CG 3.84Å; L352-M362 HydrophobicContact CD2-SD 3.67Å
353	A	98.2	Very high	97.3	Very high	54 Å²	54	53.8 Å²	53.8	45%	0.446	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-45	175.3	0	0	0	0	0	111.9	C349 E350 A351 L355 R356 E357	C349-A353 WeakPolarHBondContact O-CB 3.31Å; C349-A353 PolarHBondContact O-N 3.12Å; E350-A353 WeakPolarHBondContact O-CB 3.34Å; E350-A353 PolarHBondContact O-N 3.29Å; A351-A353 VanDerWaalsContact C-N 3.3Å; A351-A353 PolarHBondContact O-N 3.13Å; A353-L355 PolarHBondContact O-N 3.36Å; A353-R356 PolarHBondContact O-N 2.68Å; A353-E357 WeakPolarHBondContact O-CB 3.4Å; A353-E357 PolarHBondContact O-N 3.27Å
354	M	98.4	Very high	97.1	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-41.4	175.7	-71.8	176.3	57.9	0	0	112.5	L346 E350 A351 A358 L376 L379 V380	L346-M354 HydrophobicContact CD1-SD 4.05Å; E350-M354 WeakPolarHBondContact O-CG 3.47Å; E350-M354 PolarHBondContact O-N 3.44Å; A351-M354 PolarHBondContact O-N 3.26Å; M354-A358 WeakPolarHBondContact O-CB 3.38Å; M354-A358 PolarHBondContact O-N 3.41Å; M354-L376 HydrophobicContact CB-CD1 4.32Å; M354-L376 HydrophobicContact CE-CD1 4.31Å; M354-L379 HydrophobicContact CB-CD1 4.42Å; M354-L379 HydrophobicContact CE-CB 3.69Å; M354-V380 HydrophobicContact CE-CG2 4Å
355	L	98	Very high	96.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-40.8	177.4	-73.9	168.4	0	0	0	112.1	A351 L352 A353 A358 G359 V360 L368 N372 L375 L376	A351-L355 WeakPolarHBondContact O-CB 3.21Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 3.19Å; L352-L355 PolarHBondContact O-N 2.93Å; A353-L355 PolarHBondContact O-N 3.36Å; L355-A358 CarbonylContact O-C 3.55Å; L355-A358 PolarHBondContact O-N 3.39Å; L355-G359 PolarHBondContact O-N 3.39Å; L355-V360 HydrophobicContact CB-CB 4.15Å; L355-V360 HydrophobicContact CB-CG2 4.38Å; L355-V360 HydrophobicContact CD2-CG2 4.22Å; L355-V360 WeakPolarHBondContact O-CB 3.18Å; L355-V360 PolarHBondContact O-N 3.47Å; L355-L368 HydrophobicContact CD1-CD2 3.51Å; L355-N372 HydrophobicContact CD1-CB 4.21Å; L355-N372 HydrophobicContact CD2-CB 4.36Å; L355-L375 HydrophobicContact CD2-CB 4.18Å; L355-L375 HydrophobicContact CD2-CD2 3.93Å; L355-L375 HydrophobicContact CD2-CG 4Å; L355-L376 HydrophobicContact CD2-CB 4.2Å; L355-L376 HydrophobicContact CG-CB 4.45Å; L355-L376 HydrophobicContact CG-CD1 4.49Å
356	R	97.9	Very high	96.7	Very high	103 Å²	103	59.5 Å²	59.5	39%	0.389	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-38.9	175.7	-72.3	165.9	179.3	165.8	0.2	112	L352 A353 A358 G359 M362 D364	L352-R356 VanDerWaalsContact O-CB 3.3Å; L352-R356 WeakPolarHBondContact O-CB 3.48Å; L352-R356 WeakPolarHBondContact O-CD 3.49Å; L352-R356 WeakPolarHBondContact O-CG 3.27Å; L352-R356 PolarHBondContact O-N 3.39Å; A353-R356 PolarHBondContact O-N 2.68Å; R356-A358 VanDerWaalsContact C-N 3.28Å; R356-A358 PolarHBondContact O-N 2.9Å; R356-G359 PolarHBondContact O-N 2.97Å; R356-M362 PolarHBondContact NE-O 2.84Å; R356-M362 PolarHBondContact NH2-O 3.37Å; R356-D364 IonicContact CZ-OD1 3.38Å; R356-D364 VanDerWaalsContact CZ-OD1 3.23Å; R356-D364 IonicContact NH1-OD1 2.73Å; R356-D364 PolarHBondContact NH1-OD1 3.39Å; R356-D364 IonicContact NH2-OD1 2.68Å; R356-D364 PolarHBondContact NH2-OD1 3.34Å
357	E	97.8	Very high	96.5	Very high	172 Å²	172	63.9 Å²	63.9	80%	0.804	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-36.7	171.6	-176.3	173.3	-150.1	0	0	111.6	A353 G359	A353-E357 WeakPolarHBondContact O-CB 3.4Å; A353-E357 PolarHBondContact O-N 3.27Å; E357-G359 PolarHBondContact O-N 3.27Å
358	A	96.6	Very high	96.2	Very high	50 Å²	50	60.9 Å²	60.9	41%	0.413	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.7	172.4	0	0	0	0	0	114.7	M354 L355 R356 L375 L379	M354-A358 WeakPolarHBondContact O-CB 3.38Å; M354-A358 PolarHBondContact O-N 3.41Å; L355-A358 CarbonylContact O-C 3.55Å; L355-A358 PolarHBondContact O-N 3.39Å; R356-A358 VanDerWaalsContact C-N 3.28Å; R356-A358 PolarHBondContact O-N 2.9Å; A358-L375 HydrophobicContact CB-CD2 4.35Å; A358-L379 HydrophobicContact CB-CD1 3.77Å; A358-L379 HydrophobicContact CB-CD2 4.28Å
359	G	96.8	Very high	96	Very high	65 Å²	65	63.3 Å²	63.3	67%	0.67	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	17.5	174.5	0	0	0	0	0	116	L355 R356 E357	L355-G359 PolarHBondContact O-N 3.39Å; R356-G359 PolarHBondContact O-N 2.97Å; E357-G359 PolarHBondContact O-N 3.27Å
360	V	96.8	Very high	95.7	Very high	27 Å²	27	63.6 Å²	63.6	16%	0.164	36%	0.358	C	S	.	.			trans	-87.5	121.9	174.5	-176.3	0	0	0	0	110.9	L355 M362 L375	L355-V360 HydrophobicContact CB-CB 4.15Å; L355-V360 HydrophobicContact CB-CG2 4.38Å; L355-V360 HydrophobicContact CD2-CG2 4.22Å; L355-V360 WeakPolarHBondContact O-CB 3.18Å; L355-V360 PolarHBondContact O-N 3.47Å; V360-M362 HydrophobicContact CG1-CB 4.3Å; V360-L375 HydrophobicContact CG2-CD2 3.55Å
361	E	94.8	Very high	95.6	Very high	197 Å²	197	63.5 Å²	63.5	92%	0.921	37%	0.366	S	S	*	.			trans	-79.2	117.6	166.4	-65.6	-175	177.6	0	0	109.7
362	M	93.1	Very high	95.5	Very high	21 Å²	21	64.7 Å²	64.7	10%	0.103	37%	0.372	C	S	.	.			trans	-154.1	137.6	-179.4	-174.1	169.3	172	0	0	109.9	Y348 L352 R356 V360 D366 D367 L368	Y348-M362 VanDerWaalsContact OH-CE 3.26Å; Y348-M362 WeakPolarHBondContact OH-CE 3.45Å; L352-M362 HydrophobicContact CD2-CB 4.29Å; L352-M362 HydrophobicContact CD2-CE 3.92Å; L352-M362 HydrophobicContact CD2-CG 3.84Å; L352-M362 HydrophobicContact CD2-SD 3.67Å; R356-M362 PolarHBondContact NE-O 2.84Å; R356-M362 PolarHBondContact NH2-O 3.37Å; V360-M362 HydrophobicContact CG1-CB 4.3Å; M362-D366 HydrophobicContact CE-CB 3.81Å; M362-D366 WeakPolarHBondContact CE-O 3.43Å; M362-D366 HydrophobicContact CG-CB 3.98Å; M362-D367 VanDerWaalsContact CE-C 3.44Å; M362-D367 WeakPolarHBondContact CE-O 3.27Å; M362-L368 HydrophobicContact CE-CD2 3.96Å; M362-L368 HydrophobicContact CE-CG 4.34Å; M362-L368 HydrophobicContact SD-CD2 4Å
363	G	93.9	Very high	95.5	Very high	28 Å²	28	65.3 Å²	65.3	29%	0.289	38%	0.375	S	S	.	.			trans	-73.3	164.6	176.5	0	0	0	0	0	113.4	E365 D366	G363-E365 VanDerWaalsContact C-N 3.27Å; G363-E365 PolarHBondContact O-N 3.44Å; G363-D366 WeakPolarHBondContact CA-OD2 3.42Å; G363-D366 PolarHBondContact N-OD2 2.97Å
364	D	93.5	Very high	95.4	Very high	108 Å²	108	66.9 Å²	66.9	58%	0.578	37%	0.372	S	S	*	.	S	Bend	trans	-74.3	-15	-178.1	-63.3	-45.3	0	0	0	114.1	R356	R356-D364 IonicContact CZ-OD1 3.38Å; R356-D364 VanDerWaalsContact CZ-OD1 3.23Å; R356-D364 IonicContact NH1-OD1 2.73Å; R356-D364 PolarHBondContact NH1-OD1 3.39Å; R356-D364 IonicContact NH2-OD1 2.68Å; R356-D364 PolarHBondContact NH2-OD1 3.34Å
365	E	94.6	Very high	95.3	Very high	77 Å²	77	68.7 Å²	68.7	36%	0.36	38%	0.381	S	S	.	.	S	Bend	trans	-120.4	1.9	-178.2	-66.3	175.2	119.5	0	0	113.2	G363 P395 K411	G363-E365 VanDerWaalsContact C-N 3.27Å; G363-E365 PolarHBondContact O-N 3.44Å; E365-P395 HydrophobicContact CB-CB 4.46Å; E365-K411 WeakPolarHBondContact OE1-CB 3.43Å; E365-K411 VanDerWaalsContact OE1-CD 3.31Å; E365-K411 WeakPolarHBondContact OE1-CD 3.34Å; E365-K411 VanDerWaalsContact OE1-CG 3.24Å; E365-K411 WeakPolarHBondContact OE1-CG 3.32Å; E365-K411 IonicContact OE1-NZ 3.21Å; E365-K411 PolarHBondContact OE1-NZ 3.06Å; E365-K411 IonicContact OE2-NZ 3.34Å; E365-K411 PolarHBondContact OE2-NZ 2.87Å
366	D	93.6	Very high	95.4	Very high	86 Å²	86	68.7 Å²	68.7	46%	0.46	38%	0.381	S	S	.	.			trans	-69.4	154.9	176	-67.4	-14.5	0	0	0	110.4	Y348 M362 G363	Y348-D366 PolarHBondContact OH-O 3.46Å; M362-D366 HydrophobicContact CE-CB 3.81Å; M362-D366 WeakPolarHBondContact CE-O 3.43Å; M362-D366 HydrophobicContact CG-CB 3.98Å; G363-D366 WeakPolarHBondContact CA-OD2 3.42Å; G363-D366 PolarHBondContact N-OD2 2.97Å
367	D	94.5	Very high	95.4	Very high	96 Å²	96	64.1 Å²	64.1	51%	0.513	37%	0.367	S	S	.	.			trans	-85.7	152.5	174.1	-163.2	15.2	0	0	0	112.3	M362 S369 V398	M362-D367 VanDerWaalsContact CE-C 3.44Å; M362-D367 WeakPolarHBondContact CE-O 3.27Å; D367-S369 PolarHBondContact O-N 3.22Å; D367-V398 HydrophobicContact CB-CB 4.3Å; D367-V398 HydrophobicContact CB-CG1 3.82Å
368	L	93.8	Very high	95.4	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.068	35%	0.35	C	S	.	.			trans	-71.4	105.4	178	-80.7	175.4	0	0	0	110.6	Y348 L355 M362 N372 E373 L376 L391	Y348-L368 HydrophobicContact CE2-CD1 4.07Å; Y348-L368 HydrophobicContact CE2-CG 4.01Å; Y348-L368 PolarHBondContact OH-N 3.32Å; L355-L368 HydrophobicContact CD1-CD2 3.51Å; M362-L368 HydrophobicContact CE-CD2 3.96Å; M362-L368 HydrophobicContact CE-CG 4.34Å; M362-L368 HydrophobicContact SD-CD2 4Å; L368-N372 HydrophobicContact CD2-CB 3.93Å; L368-E373 HydrophobicContact CB-CG 4.15Å; L368-L376 HydrophobicContact CD1-CD2 4.2Å; L368-L391 HydrophobicContact CD1-CD2 3.5Å
369	S	93.9	Very high	95.5	Very high	55 Å²	55	60.3 Å²	60.3	39%	0.385	34%	0.341	S	S	.	.			trans	-59.4	146.4	169	75.7	0	0	0	0	111.1	D367 P371 N372 E373	D367-S369 PolarHBondContact O-N 3.22Å; S369-P371 VanDerWaalsContact C-CD 3.41Å; S369-P371 VanDerWaalsContact C-N 3.29Å; S369-P371 VanDerWaalsContact O-N 3.14Å; S369-N372 WeakPolarHBondContact O-CA 3.42Å; S369-N372 WeakPolarHBondContact O-CB 3.3Å; S369-N372 PolarHBondContact O-N 3.16Å; S369-N372 PolarHBondContact OG-ND2 3.14Å; S369-N372 PolarHBondContact OG-OD1 3.32Å; S369-E373 PolarHBondContact O-N 3.34Å
370	T	90.9	Very high	95.6	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-53.6	-32.8	-178.5	-52.3	0	0	0	0	115.6	R281 E373 K374	R281-T370 VanDerWaalsContact NH1-CG2 3.25Å; T370-E373 WeakPolarHBondContact CA-OE2 3.22Å; T370-K374 PolarHBondContact O-N 3.15Å
371	P	95.3	Very high	95.7	Very high	92 Å²	92	58.3 Å²	58.3	60%	0.597	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-39.6	168.1	-24.7	36.3	0	0	0	113.6	S369 K374 L375	S369-P371 VanDerWaalsContact C-CD 3.41Å; S369-P371 VanDerWaalsContact C-N 3.29Å; S369-P371 VanDerWaalsContact O-N 3.14Å; P371-K374 PolarHBondContact O-N 3.06Å; P371-L375 PolarHBondContact O-N 2.99Å
372	N	96.7	Very high	95.8	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-38	179.5	-64.3	-3.3	0	0	0	111.6	L355 L368 S369 K374 L375 L376	L355-N372 HydrophobicContact CD1-CB 4.21Å; L355-N372 HydrophobicContact CD2-CB 4.36Å; L368-N372 HydrophobicContact CD2-CB 3.93Å; S369-N372 WeakPolarHBondContact O-CA 3.42Å; S369-N372 WeakPolarHBondContact O-CB 3.3Å; S369-N372 PolarHBondContact O-N 3.16Å; S369-N372 PolarHBondContact OG-ND2 3.14Å; S369-N372 PolarHBondContact OG-OD1 3.32Å; N372-K374 VanDerWaalsContact C-N 3.29Å; N372-K374 PolarHBondContact O-N 3.14Å; N372-L375 PolarHBondContact O-N 3.46Å; N372-L376 VanDerWaalsContact O-CB 3.27Å; N372-L376 WeakPolarHBondContact O-CB 3.44Å; N372-L376 PolarHBondContact O-N 3.17Å
373	E	95.9	Very high	96.1	Very high	17 Å²	17	60.8 Å²	60.8	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-54.2	-46.7	171.2	-59.5	-179	114.7	0	0	111.5	R281 L368 S369 T370 L376 G377 F419 G422	R281-E373 IonicContact NH1-OE2 2.71Å; L368-E373 HydrophobicContact CB-CG 4.15Å; S369-E373 PolarHBondContact O-N 3.34Å; T370-E373 WeakPolarHBondContact CA-OE2 3.22Å; E373-L376 PolarHBondContact O-N 3.43Å; E373-G377 PolarHBondContact O-N 2.99Å; E373-F419 HydrophobicContact CB-CE1 4.13Å; E373-F419 HydrophobicContact CG-CE1 4.04Å; E373-F419 WeakPolarHBondContact OE1-CE1 3.3Å; E373-G422 CarbonylContact C-O 3.58Å; E373-G422 VanDerWaalsContact C-O 3.25Å
374	K	95.9	Very high	96.3	Very high	86 Å²	86	63 Å²	63	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-42.7	-178.9	-78.3	-161.7	158.3	-175.9	0	112.6	T370 P371 N372 G377 H378 G422 E423	T370-K374 PolarHBondContact O-N 3.15Å; P371-K374 PolarHBondContact O-N 3.06Å; N372-K374 VanDerWaalsContact C-N 3.29Å; N372-K374 PolarHBondContact O-N 3.14Å; K374-G377 PolarHBondContact O-N 2.92Å; K374-H378 PolarHBondContact O-N 2.93Å; K374-G422 WeakPolarHBondContact CA-O 3.49Å; K374-G422 WeakPolarHBondContact CG-O 3.35Å; K374-G422 PolarHBondContact N-O 2.79Å; K374-E423 WeakPolarHBondContact CE-OE1 3.36Å; K374-E423 HydrophobicContact CG-CG 4.49Å; K374-E423 IonicContact NZ-OE1 3.83Å; K374-E423 PolarHBondContact NZ-OE1 3.47Å
375	L	98.1	Very high	96.5	Very high	56 Å²	56	62 Å²	62	29%	0.293	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-47.3	174.7	178.9	58.2	0	0	0	110.7	L355 A358 V360 P371 N372 G377 H378 L379	L355-L375 HydrophobicContact CD2-CB 4.18Å; L355-L375 HydrophobicContact CD2-CD2 3.93Å; L355-L375 HydrophobicContact CD2-CG 4Å; A358-L375 HydrophobicContact CB-CD2 4.35Å; V360-L375 HydrophobicContact CG2-CD2 3.55Å; P371-L375 PolarHBondContact O-N 2.99Å; N372-L375 PolarHBondContact O-N 3.46Å; L375-G377 VanDerWaalsContact C-N 3.33Å; L375-G377 PolarHBondContact O-N 3.47Å; L375-H378 WeakPolarHBondContact O-CB 3.46Å; L375-H378 PolarHBondContact O-N 3.23Å; L375-H378 VanDerWaalsContact O-N 3.14Å; L375-L379 HydrophobicContact CD1-CD1 4.36Å; L375-L379 HydrophobicContact CD1-CG 4.26Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 2.78Å
376	L	98.4	Very high	96.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.9	-45.3	176	-179.1	64.8	0	0	0	111.4	A351 M354 L355 L368 N372 E373 H378 L379 V380 Y389 L391	A351-L376 HydrophobicContact CB-CD1 3.79Å; A351-L376 HydrophobicContact CB-CD2 3.6Å; A351-L376 HydrophobicContact CB-CG 4.37Å; M354-L376 HydrophobicContact CB-CD1 4.32Å; M354-L376 HydrophobicContact CE-CD1 4.31Å; L355-L376 HydrophobicContact CD2-CB 4.2Å; L355-L376 HydrophobicContact CG-CB 4.45Å; L355-L376 HydrophobicContact CG-CD1 4.49Å; L368-L376 HydrophobicContact CD1-CD2 4.2Å; N372-L376 VanDerWaalsContact O-CB 3.27Å; N372-L376 WeakPolarHBondContact O-CB 3.44Å; N372-L376 PolarHBondContact O-N 3.17Å; E373-L376 PolarHBondContact O-N 3.43Å; L376-H378 VanDerWaalsContact C-N 3.32Å; L376-H378 PolarHBondContact O-N 3.11Å; L376-L379 PolarHBondContact O-N 3.07Å; L376-V380 HydrophobicContact CD1-CG2 4.38Å; L376-V380 HydrophobicContact CG-CG2 4.47Å; L376-V380 WeakPolarHBondContact O-CB 3.12Å; L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 2.99Å; L376-V380 PolarHBondContact O-N 2.97Å; L376-Y389 HydrophobicContact CD2-CE2 4.13Å; L376-Y389 WeakPolarHBondContact CD2-OH 3.32Å; L376-Y389 HydrophobicContact CG-CE2 4.41Å; L376-L391 HydrophobicContact CD2-CD2 4.02Å
377	G	98.2	Very high	97	Very high	8 Å²	8	54.6 Å²	54.6	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-37.3	175.7	0	0	0	0	0	113.8	E373 K374 L375 K381	E373-G377 PolarHBondContact O-N 2.99Å; K374-G377 PolarHBondContact O-N 2.92Å; L375-G377 VanDerWaalsContact C-N 3.33Å; L375-G377 PolarHBondContact O-N 3.47Å; G377-K381 WeakPolarHBondContact O-CB 3.29Å; G377-K381 PolarHBondContact O-N 3.16Å
378	H	98.2	Very high	97.2	Very high	99 Å²	99	50 Å²	50	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-46.7	172.8	176.5	41.9	0	0	0	111.8	K374 L375 L376 V380 K381 E382	K374-H378 PolarHBondContact O-N 2.93Å; L375-H378 WeakPolarHBondContact O-CB 3.46Å; L375-H378 PolarHBondContact O-N 3.23Å; L375-H378 VanDerWaalsContact O-N 3.14Å; L376-H378 VanDerWaalsContact C-N 3.32Å; L376-H378 PolarHBondContact O-N 3.11Å; H378-V380 VanDerWaalsContact C-N 3.29Å; H378-V380 PolarHBondContact O-N 3.22Å; H378-K381 PolarHBondContact O-N 3.02Å; H378-K381 VanDerWaalsContact O-N 3.12Å; H378-E382 VanDerWaalsContact CE1-CG 3.44Å; H378-E382 WeakPolarHBondContact CE1-CG 3.2Å; H378-E382 IonicContact CE1-OE1 2.66Å; H378-E382 PolarHBondContact CE1-OE1 3.13Å; H378-E382 IonicContact ND1-OE1 2.78Å; H378-E382 WeakPolarHBondContact O-CG 3.21Å; H378-E382 PolarHBondContact O-N 3.09Å
379	L	98.6	Very high	97.4	Very high	43 Å²	43	49.5 Å²	49.5	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-38.1	176.6	-64.8	170.4	0	0	0	112.1	M354 A358 L375 L376 K383	M354-L379 HydrophobicContact CB-CD1 4.42Å; M354-L379 HydrophobicContact CE-CB 3.69Å; A358-L379 HydrophobicContact CB-CD1 3.77Å; A358-L379 HydrophobicContact CB-CD2 4.28Å; L375-L379 HydrophobicContact CD1-CD1 4.36Å; L375-L379 HydrophobicContact CD1-CG 4.26Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 2.78Å; L376-L379 PolarHBondContact O-N 3.07Å; L379-K383 VanDerWaalsContact O-CB 3.26Å; L379-K383 WeakPolarHBondContact O-CB 3.12Å; L379-K383 PolarHBondContact O-N 2.72Å
380	V	98.6	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-43.6	173.5	165.2	0	0	0	0	111.2	L344 L346 M354 L376 H378 K383 Y384 T386 Y389	L344-V380 HydrophobicContact CD2-CG1 3.62Å; L346-V380 HydrophobicContact CD1-CG2 3.82Å; M354-V380 HydrophobicContact CE-CG2 4Å; L376-V380 HydrophobicContact CD1-CG2 4.38Å; L376-V380 HydrophobicContact CG-CG2 4.47Å; L376-V380 WeakPolarHBondContact O-CB 3.12Å; L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 2.99Å; L376-V380 PolarHBondContact O-N 2.97Å; H378-V380 VanDerWaalsContact C-N 3.29Å; H378-V380 PolarHBondContact O-N 3.22Å; V380-K383 PolarHBondContact O-N 2.88Å; V380-Y384 HydrophobicContact CG1-CD2 4.23Å; V380-Y384 WeakPolarHBondContact O-CB 3.44Å; V380-Y384 PolarHBondContact O-N 2.79Å; V380-T386 HydrophobicContact CG1-CG2 3.66Å; V380-Y389 HydrophobicContact CB-CD1 4.26Å; V380-Y389 HydrophobicContact CB-CE1 4.31Å; V380-Y389 HydrophobicContact CG1-CD1 3.7Å; V380-Y389 HydrophobicContact CG1-CE1 4.24Å; V380-Y389 HydrophobicContact CG1-CG 3.97Å; V380-Y389 HydrophobicContact CG2-CD1 4.4Å; V380-Y389 HydrophobicContact CG2-CD2 4.44Å; V380-Y389 HydrophobicContact CG2-CE1 4.35Å; V380-Y389 HydrophobicContact CG2-CE2 4.39Å; V380-Y389 HydrophobicContact CG2-CG 4.45Å
381	K	98.4	Very high	98	Very high	49 Å²	49	43.9 Å²	43.9	21%	0.213	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-46.2	175.8	-177.2	172.1	176.1	172.4	0	111.9	E335 G377 H378 K383 D385 D387	E335-K381 IonicContact OE2-NZ 3.06Å; E335-K381 PolarHBondContact OE2-NZ 3.07Å; G377-K381 WeakPolarHBondContact O-CB 3.29Å; G377-K381 PolarHBondContact O-N 3.16Å; H378-K381 PolarHBondContact O-N 3.02Å; H378-K381 VanDerWaalsContact O-N 3.12Å; K381-K383 VanDerWaalsContact C-N 3.32Å; K381-K383 PolarHBondContact O-N 2.8Å; K381-D385 WeakPolarHBondContact O-CA 3.39Å; K381-D385 PolarHBondContact O-N 2.85Å; K381-D387 IonicContact NZ-OD1 3.77Å
382	E	98.3	Very high	98.2	Very high	143 Å²	143	39.5 Å²	39.5	67%	0.668	19%	0.186	S	C	*	.	H	α-helix	trans	-60.5	-39.7	177.3	-71.1	-66	130.5	0	0	112.4	H378	H378-E382 VanDerWaalsContact CE1-CG 3.44Å; H378-E382 WeakPolarHBondContact CE1-CG 3.2Å; H378-E382 IonicContact CE1-OE1 2.66Å; H378-E382 PolarHBondContact CE1-OE1 3.13Å; H378-E382 IonicContact ND1-OE1 2.78Å; H378-E382 WeakPolarHBondContact O-CG 3.21Å; H378-E382 PolarHBondContact O-N 3.09Å
383	K	98.4	Very high	98.3	Very high	127 Å²	127	39.1 Å²	39.1	55%	0.552	18%	0.184	S	C	*	.	H	α-helix	trans	-85	-33	-174.7	-172.7	172.8	176.5	-176.2	0	114.4	L379 V380 K381	L379-K383 VanDerWaalsContact O-CB 3.26Å; L379-K383 WeakPolarHBondContact O-CB 3.12Å; L379-K383 PolarHBondContact O-N 2.72Å; V380-K383 PolarHBondContact O-N 2.88Å; K381-K383 VanDerWaalsContact C-N 3.32Å; K381-K383 PolarHBondContact O-N 2.8Å
384	Y	98.5	Very high	98.4	Very high	76 Å²	76	38.5 Å²	38.5	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-128.4	0	-169.3	-53.7	-73.1	0	0	0	114.5	L344 L346 V380 T386	L344-Y384 HydrophobicContact CD1-CD1 4.42Å; L344-Y384 HydrophobicContact CD1-CD2 4.42Å; L344-Y384 HydrophobicContact CD1-CE1 4.43Å; L344-Y384 HydrophobicContact CD1-CE2 4.39Å; L344-Y384 HydrophobicContact CD1-CG 4.41Å; L344-Y384 HydrophobicContact CD2-CD2 3.4Å; L344-Y384 VanDerWaalsContact CD2-CD2 3.4Å; L344-Y384 HydrophobicContact CD2-CE2 3.88Å; L344-Y384 HydrophobicContact CD2-CG 3.78Å; L346-Y384 HydrophobicContact CD2-CE2 4.45Å; V380-Y384 HydrophobicContact CG1-CD2 4.23Å; V380-Y384 WeakPolarHBondContact O-CB 3.44Å; V380-Y384 PolarHBondContact O-N 2.79Å; Y384-T386 VanDerWaalsContact C-N 3.28Å; Y384-T386 PolarHBondContact O-N 3.05Å
385	D	98.4	Very high	98.5	Very high	85 Å²	85	34.5 Å²	34.5	46%	0.455	16%	0.163	S	C	.	.			trans	50.7	38.5	-178.2	-159	31.5	0	0	0	115.4	K338 K381	K338-D385 WeakPolarHBondContact CB-O 3.48Å; K338-D385 WeakPolarHBondContact CD-O 3.34Å; K338-D385 VanDerWaalsContact CD-OD1 3.29Å; K338-D385 WeakPolarHBondContact CD-OD1 3.36Å; K338-D385 IonicContact NZ-OD1 3.26Å; K338-D385 PolarHBondContact NZ-OD1 2.98Å; K338-D385 IonicContact NZ-OD2 3.63Å; K338-D385 PolarHBondContact NZ-OD2 3.26Å; K381-D385 WeakPolarHBondContact O-CA 3.39Å; K381-D385 PolarHBondContact O-N 2.85Å
386	T	98.7	Very high	98.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.153	C	C	.	.			trans	-121.5	137.7	178.4	-170.1	0	0	0	0	112.1	L340 L344 V380 Y384 F388	L340-T386 HydrophobicContact CD1-CG2 4.33Å; L344-T386 HydrophobicContact CB-CG2 4.35Å; L344-T386 HydrophobicContact CD2-CG2 3.9Å; V380-T386 HydrophobicContact CG1-CG2 3.66Å; Y384-T386 VanDerWaalsContact C-N 3.28Å; Y384-T386 PolarHBondContact O-N 3.05Å; T386-F388 WeakPolarHBondContact CG2-O 3.43Å; T386-F388 PolarHBondContact OG1-N 3.36Å; T386-F388 VanDerWaalsContact OG1-N 3.14Å; T386-F388 PolarHBondContact OG1-O 3.02Å
387	D	98.8	Very high	98.3	Very high	8 Å²	8	36 Å²	36	4%	0.043	18%	0.181	C	C	.	.	S	Bend	trans	-88.3	-11.4	166.9	-67.4	-69.1	0	0	0	111.7	F337 K338 K381 M420 R421	F337-D387 HydrophobicContact CD2-CB 3.7Å; F337-D387 HydrophobicContact CE1-CB 4.42Å; F337-D387 HydrophobicContact CE2-CB 3.39Å; F337-D387 HydrophobicContact CG-CB 4.33Å; F337-D387 HydrophobicContact CZ-CB 3.78Å; K338-D387 PolarHBondContact N-OD2 3.3Å; K338-D387 WeakPolarHBondContact O-CA 3.4Å; K338-D387 WeakPolarHBondContact O-CB 3.36Å; K338-D387 PolarHBondContact O-N 2.81Å; K381-D387 IonicContact NZ-OD1 3.77Å; D387-M420 CarbonylContact O-C 3.53Å; D387-M420 WeakPolarHBondContact O-CA 3.39Å; D387-R421 HydrophobicContact CB-CG 4.03Å; D387-R421 PolarHBondContact O-N 2.84Å; D387-R421 IonicContact OD1-CZ 3.86Å; D387-R421 IonicContact OD1-NH1 3.14Å; D387-R421 PolarHBondContact OD1-NH1 2.96Å; D387-R421 IonicContact OD2-CZ 3.69Å; D387-R421 IonicContact OD2-NH1 2.71Å; D387-R421 PolarHBondContact OD2-NH1 3.27Å
388	F	98.9	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128	-179.1	-174	-124.7	0	0	0	112.2	M310 V311 F314 F337 K338 F339 T343 T386 M418 F419 M420 I425	M310-F388 HydrophobicContact CB-CE1 3.98Å; M310-F388 HydrophobicContact CB-CE2 4.28Å; M310-F388 HydrophobicContact CB-CZ 3.57Å; M310-F388 HydrophobicContact CG-CE2 4.44Å; M310-F388 HydrophobicContact CG-CZ 3.94Å; V311-F388 HydrophobicContact CG2-CE1 4.49Å; F314-F388 HydrophobicContact CE2-CB 4.18Å; F314-F388 AromaticContact CE2-CD1 3.72Å; F314-F388 HydrophobicContact CE2-CD1 3.72Å; F314-F388 AromaticContact CE2-CD2 3.92Å; F314-F388 HydrophobicContact CE2-CD2 3.92Å; F314-F388 HydrophobicContact CE2-CE1 4.01Å; F314-F388 HydrophobicContact CE2-CE2 4.22Å; F314-F388 AromaticContact CE2-CG 3.68Å; F314-F388 HydrophobicContact CE2-CG 3.68Å; F314-F388 HydrophobicContact CE2-CZ 4.27Å; F314-F388 HydrophobicContact CZ-CD2 4.03Å; F314-F388 HydrophobicContact CZ-CE2 4.24Å; F314-F388 HydrophobicContact CZ-CG 4.24Å; F337-F388 HydrophobicContact CE1-CB 3.95Å; F337-F388 HydrophobicContact CZ-CB 3.85Å; K338-F388 PolarHBondContact O-N 3.08Å; F339-F388 HydrophobicContact CB-CB 4Å; T343-F388 HydrophobicContact CG2-CD1 3.58Å; T343-F388 HydrophobicContact CG2-CE1 3.45Å; T343-F388 VanDerWaalsContact CG2-CE1 3.45Å; T343-F388 HydrophobicContact CG2-CZ 4.39Å; T386-F388 WeakPolarHBondContact CG2-O 3.43Å; T386-F388 PolarHBondContact OG1-N 3.36Å; T386-F388 VanDerWaalsContact OG1-N 3.14Å; T386-F388 PolarHBondContact OG1-O 3.02Å; F388-M418 HydrophobicContact CE2-CB 4.02Å; F388-M418 HydrophobicContact CE2-SD 4.4Å; F388-M418 HydrophobicContact CZ-CB 4.44Å; F388-M418 HydrophobicContact CZ-SD 3.92Å; F388-F419 WeakPolarHBondContact CA-O 3.4Å; F388-F419 WeakPolarHBondContact CD2-O 3.17Å; F388-M420 HydrophobicContact CD2-CG 4.08Å; F388-I425 HydrophobicContact CE2-CD1 4.26Å
389	Y	98.9	Very high	98	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.4	174	70.4	-83.1	0	0	0	112.2	L344 L376 V380 L391 F419	L344-Y389 WeakPolarHBondContact O-CA 3.04Å; L376-Y389 HydrophobicContact CD2-CE2 4.13Å; L376-Y389 WeakPolarHBondContact CD2-OH 3.32Å; L376-Y389 HydrophobicContact CG-CE2 4.41Å; V380-Y389 HydrophobicContact CB-CD1 4.26Å; V380-Y389 HydrophobicContact CB-CE1 4.31Å; V380-Y389 HydrophobicContact CG1-CD1 3.7Å; V380-Y389 HydrophobicContact CG1-CE1 4.24Å; V380-Y389 HydrophobicContact CG1-CG 3.97Å; V380-Y389 HydrophobicContact CG2-CD1 4.4Å; V380-Y389 HydrophobicContact CG2-CD2 4.44Å; V380-Y389 HydrophobicContact CG2-CE1 4.35Å; V380-Y389 HydrophobicContact CG2-CE2 4.39Å; V380-Y389 HydrophobicContact CG2-CG 4.45Å; Y389-L391 HydrophobicContact CE2-CB 4.45Å; Y389-F419 HydrophobicContact CD1-CB 3.86Å; Y389-F419 HydrophobicContact CD2-CB 4.48Å; Y389-F419 HydrophobicContact CD2-CD2 4.32Å; Y389-F419 HydrophobicContact CE1-CB 3.41Å; Y389-F419 VanDerWaalsContact CE1-CB 3.41Å; Y389-F419 HydrophobicContact CE1-CG 4.04Å; Y389-F419 HydrophobicContact CE2-CB 4.1Å; Y389-F419 AromaticContact CE2-CD2 3.71Å; Y389-F419 HydrophobicContact CE2-CD2 3.71Å; Y389-F419 HydrophobicContact CE2-CE2 4.45Å; Y389-F419 AromaticContact CE2-CG 4Å; Y389-F419 HydrophobicContact CE2-CG 4Å; Y389-F419 HydrophobicContact CG-CB 4.37Å; Y389-F419 AromaticContact CZ-CD2 3.84Å; Y389-F419 AromaticContact CZ-CG 3.62Å; Y389-F419 PolarHBondContact N-O 3.04Å; Y389-F419 PolarHBondContact O-N 2.83Å
390	I	98.9	Very high	97.7	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.8	176	-46.6	169.3	0	0	0	108.2	M303 A307 T343 L344 R345 L346 M418	M303-I390 HydrophobicContact CG-CD1 4.37Å; M303-I390 HydrophobicContact CG-CG2 4.23Å; M303-I390 HydrophobicContact SD-CG2 3.91Å; A307-I390 HydrophobicContact CB-CD1 3.68Å; T343-I390 HydrophobicContact CG2-CD1 3.93Å; T343-I390 HydrophobicContact CG2-CG1 3.85Å; L344-I390 PolarHBondContact O-N 3.47Å; R345-I390 WeakPolarHBondContact CA-O 3.37Å; R345-I390 HydrophobicContact CB-CB 4.41Å; R345-I390 HydrophobicContact CG-CB 4.45Å; L346-I390 PolarHBondContact N-O 2.94Å; I390-M418 HydrophobicContact CD1-CE 4.12Å; I390-M418 HydrophobicContact CG1-CE 4.17Å; I390-M418 HydrophobicContact CG1-CG 4.12Å; I390-M418 HydrophobicContact CG1-SD 4.43Å; I390-M418 HydrophobicContact CG2-CE 4.48Å; I390-M418 HydrophobicContact CG2-CG 4.26Å
391	L	98.8	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116	168.2	-172.5	59.8	0	0	0	109.2	L346 Y348 A351 L368 L376 Y389 Y394 Y416 D417 F419	L346-L391 HydrophobicContact CB-CD1 4.06Å; L346-L391 CarbonylContact O-C 3.55Å; L346-L391 WeakPolarHBondContact O-CA 3.48Å; Y348-L391 HydrophobicContact CD2-CD2 3.86Å; Y348-L391 HydrophobicContact CD2-CG 4.17Å; Y348-L391 HydrophobicContact CE2-CD2 4.15Å; A351-L391 HydrophobicContact CB-CD1 3.53Å; A351-L391 HydrophobicContact CB-CD2 4.02Å; A351-L391 HydrophobicContact CB-CG 4.46Å; L368-L391 HydrophobicContact CD1-CD2 3.5Å; L376-L391 HydrophobicContact CD2-CD2 4.02Å; Y389-L391 HydrophobicContact CE2-CB 4.45Å; L391-Y394 HydrophobicContact CB-CE2 3.87Å; L391-Y394 HydrophobicContact CD2-CE2 3.75Å; L391-Y394 HydrophobicContact CG-CD2 4.36Å; L391-Y394 HydrophobicContact CG-CE2 3.62Å; L391-Y394 WeakPolarHBondContact O-CE2 3.07Å; L391-Y416 CarbonylContact O-C 3.54Å; L391-Y416 WeakPolarHBondContact O-CA 3.38Å; L391-D417 PolarHBondContact N-O 2.9Å; L391-D417 PolarHBondContact O-N 2.79Å; L391-F419 HydrophobicContact CB-CD2 4.31Å; L391-F419 HydrophobicContact CB-CE2 3.86Å; L391-F419 HydrophobicContact CD2-CE2 4.37Å
392	D	98.8	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	169.7	-172.8	-168.9	13.8	0	0	0	111.4	Y299 H300 M303 R345 L346 E347 Y348 Y394 S415	Y299-D392 WeakPolarHBondContact CE2-OD1 3.22Å; Y299-D392 PolarHBondContact OH-OD1 3.04Å; Y299-D392 PolarHBondContact OH-OD2 2.96Å; H300-D392 IonicContact CD2-OD2 3.35Å; H300-D392 IonicContact CE1-OD2 2.63Å; H300-D392 IonicContact NE2-OD2 2.69Å; H300-D392 PolarHBondContact NE2-OD2 3.02Å; M303-D392 HydrophobicContact SD-CB 4.39Å; R345-D392 HydrophobicContact CG-CB 4.2Å; L346-D392 PolarHBondContact O-N 2.7Å; E347-D392 CarbonylContact C-O 3.48Å; E347-D392 WeakPolarHBondContact CA-O 3.49Å; Y348-D392 PolarHBondContact N-O 3.28Å; D392-Y394 PolarHBondContact O-N 3.44Å; D392-S415 CarbonylContact C-O 3.38Å
393	K	98.4	Very high	97.4	Very high	17 Å²	17	26.4 Å²	26.4	7%	0.074	14%	0.141	C	C	.	.	S	Bend	trans	60.4	39.6	174.4	-58.9	-61.5	-174.2	176.3	0	115.6	Y299 E347 Y348 D406 S413 N414 S415	Y299-K393 WeakPolarHBondContact OH-CD 3.48Å; Y299-K393 WeakPolarHBondContact OH-CE 3.33Å; Y299-K393 PolarHBondContact OH-NZ 2.62Å; E347-K393 HydrophobicContact CB-CB 4.4Å; E347-K393 HydrophobicContact CG-CB 4.38Å; E347-K393 HydrophobicContact CG-CG 3.99Å; Y348-K393 WeakPolarHBondContact CB-O 3.36Å; K393-D406 IonicContact NZ-OD2 3Å; K393-D406 PolarHBondContact NZ-OD2 2.88Å; K393-S413 WeakPolarHBondContact CA-O 3.39Å; K393-N414 PolarHBondContact NZ-OD1 3Å; K393-S415 PolarHBondContact N-O 2.92Å
394	Y	98.6	Very high	97.4	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.012	12%	0.12	C	C	.	.			trans	-59.1	154.4	176.5	-92.5	-116.4	0	0	0	113.6	Y348 L391 D392 L396 V398 R399 S413 S415 D417 F419	Y348-Y394 AromaticContact CD2-CD1 3.87Å; Y348-Y394 HydrophobicContact CD2-CD1 3.87Å; Y348-Y394 AromaticContact CD2-CD2 3.7Å; Y348-Y394 HydrophobicContact CD2-CD2 3.7Å; Y348-Y394 HydrophobicContact CD2-CE1 4.08Å; Y348-Y394 AromaticContact CD2-CE2 3.89Å; Y348-Y394 HydrophobicContact CD2-CE2 3.89Å; Y348-Y394 AromaticContact CD2-CG 3.7Å; Y348-Y394 HydrophobicContact CD2-CG 3.7Å; Y348-Y394 AromaticContact CE2-CD1 3.6Å; Y348-Y394 HydrophobicContact CE2-CD1 3.6Å; Y348-Y394 HydrophobicContact CE2-CD2 4.22Å; Y348-Y394 AromaticContact CE2-CE1 3.58Å; Y348-Y394 HydrophobicContact CE2-CE1 3.58Å; Y348-Y394 HydrophobicContact CE2-CE2 4.19Å; Y348-Y394 AromaticContact CE2-CG 3.95Å; Y348-Y394 HydrophobicContact CE2-CG 3.95Å; Y348-Y394 AromaticContact CE2-CZ 3.89Å; L391-Y394 HydrophobicContact CB-CE2 3.87Å; L391-Y394 HydrophobicContact CD2-CE2 3.75Å; L391-Y394 HydrophobicContact CG-CD2 4.36Å; L391-Y394 HydrophobicContact CG-CE2 3.62Å; L391-Y394 WeakPolarHBondContact O-CE2 3.07Å; D392-Y394 PolarHBondContact O-N 3.44Å; Y394-L396 PolarHBondContact O-N 2.92Å; Y394-V398 HydrophobicContact CD1-CG2 4.24Å; Y394-R399 VanDerWaalsContact CD1-CZ 3.47Å; Y394-R399 VanDerWaalsContact CD1-NH2 3.35Å; Y394-S413 PolarHBondContact O-N 2.94Å; Y394-S413 PolarHBondContact O-OG 3.07Å; Y394-S415 WeakPolarHBondContact CB-OG 3.37Å; Y394-S415 PolarHBondContact N-O 3.5Å; Y394-D417 WeakPolarHBondContact CE1-OD2 3.36Å; Y394-D417 HydrophobicContact CE2-CB 4.15Å; Y394-D417 PolarHBondContact OH-OD2 2.87Å; Y394-F419 WeakPolarHBondContact OH-CZ 3.44Å
395	P	98.1	Very high	97.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.019	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-56.8	133.8	172.6	-22	33.3	0	0	0	111.9	Y348 E365 A397 V398 R399 K411	Y348-P395 HydrophobicContact CD1-CG 3.9Å; Y348-P395 HydrophobicContact CE1-CG 3.67Å; E365-P395 HydrophobicContact CB-CB 4.46Å; P395-A397 PolarHBondContact O-N 2.92Å; P395-V398 HydrophobicContact CB-CG2 4.37Å; P395-V398 WeakPolarHBondContact O-CG2 3.42Å; P395-V398 PolarHBondContact O-N 2.84Å; P395-R399 WeakPolarHBondContact O-CG 3.16Å; P395-K411 CarbonylContact C-O 3.32Å; P395-K411 WeakPolarHBondContact CA-O 3.37Å
396	L	97.7	Very high	97.4	Very high	14 Å²	14	15.9 Å²	15.9	7%	0.073	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-67	-21.4	179.5	-178.6	64.1	0	0	0	112.8	Y394 P405 P410 K411	Y394-L396 PolarHBondContact O-N 2.92Å; L396-P405 HydrophobicContact CD1-CG 4.35Å; L396-P405 HydrophobicContact CD2-CB 3.83Å; L396-P405 HydrophobicContact CD2-CG 3.79Å; L396-P410 WeakPolarHBondContact CD2-O 3.36Å; L396-K411 PolarHBondContact N-O 3.44Å
397	A	95	Very high	97.4	Very high	72 Å²	72	21.3 Å²	21.3	60%	0.595	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-66.9	-34.4	179.9	0	0	0	0	0	112.9	P395	P395-A397 PolarHBondContact O-N 2.92Å
398	V	94	Very high	97.3	Very high	51 Å²	51	32 Å²	32	31%	0.309	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-90.8	0.4	-177.1	-52.3	0	0	0	0	112.9	D367 Y394 P395	D367-V398 HydrophobicContact CB-CB 4.3Å; D367-V398 HydrophobicContact CB-CG1 3.82Å; Y394-V398 HydrophobicContact CD1-CG2 4.24Å; P395-V398 HydrophobicContact CB-CG2 4.37Å; P395-V398 WeakPolarHBondContact O-CG2 3.42Å; P395-V398 PolarHBondContact O-N 2.84Å
399	R	94.7	Very high	97.2	Very high	19 Å²	19	34.8 Å²	34.8	7%	0.072	19%	0.186	C	C	.	.	S	Bend	trans	-109.6	148.9	-172.5	-63.6	-60.1	-155.6	-170.6	9.4	113.3	Y394 P395 T403 S415 D417 S427 H445	Y394-R399 VanDerWaalsContact CD1-CZ 3.47Å; Y394-R399 VanDerWaalsContact CD1-NH2 3.35Å; P395-R399 WeakPolarHBondContact O-CG 3.16Å; R399-T403 HydrophobicContact CB-CG2 3.92Å; R399-T403 HydrophobicContact CG-CG2 4.42Å; R399-S415 WeakPolarHBondContact CG-OG 3.44Å; R399-S415 PolarHBondContact NE-OG 3.44Å; R399-D417 IonicContact CZ-OD1 3.31Å; R399-D417 VanDerWaalsContact CZ-OD1 3.32Å; R399-D417 IonicContact CZ-OD2 2.91Å; R399-D417 VanDerWaalsContact CZ-OD2 3.31Å; R399-D417 VanDerWaalsContact NH1-CG 3.33Å; R399-D417 IonicContact NH1-OD1 3.11Å; R399-D417 PolarHBondContact NH1-OD1 3.39Å; R399-D417 IonicContact NH1-OD2 2.85Å; R399-D417 PolarHBondContact NH1-OD2 3.27Å; R399-D417 IonicContact NH2-OD1 3.55Å; R399-D417 PolarHBondContact NH2-OD1 2.98Å; R399-D417 IonicContact NH2-OD2 2.67Å; R399-D417 PolarHBondContact NH2-OD2 3.25Å; R399-S427 PolarHBondContact NH1-OG 3.22Å; R399-H445 PolarHBondContact O-CE1 2.64Å
400	P	93.5	Very high	96.9	Very high	50 Å²	50	39.4 Å²	39.4	33%	0.325	22%	0.217	S	C	.	.			trans	-57.3	155.7	-179	-26.1	35	0	0	0	114.1	Y402 T403	P400-Y402 HydrophobicContact CB-CD1 4.15Å; P400-Y402 HydrophobicContact CB-CD2 4.23Å; P400-Y402 HydrophobicContact CB-CE1 3.69Å; P400-Y402 HydrophobicContact CB-CE2 3.76Å; P400-Y402 HydrophobicContact CB-CG 4.4Å; P400-Y402 VanDerWaalsContact CB-CZ 3.47Å; P400-Y402 HydrophobicContact CG-CE1 4.43Å; P400-Y402 HydrophobicContact CG-CE2 4.12Å; P400-Y402 PolarHBondContact O-N 2.92Å; P400-Y402 VanDerWaalsContact O-N 3.08Å; P400-T403 WeakPolarHBondContact O-CB 3.16Å; P400-T403 PolarHBondContact O-N 2.75Å; P400-T403 PolarHBondContact O-OG1 2.81Å
401	F	94.5	Very high	96.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-34.3	-177.2	78.1	-79.5	0	0	0	115.4	T403 I432 L438 R441 A442 H445 I447 I452 Y455	F401-T403 PolarHBondContact O-N 3.31Å; F401-I432 VanDerWaalsContact O-CD1 3.31Å; F401-I432 WeakPolarHBondContact O-CD1 3.31Å; F401-L438 HydrophobicContact CD2-CD1 3.97Å; F401-L438 HydrophobicContact CE2-CD1 3.76Å; F401-R441 VanDerWaalsContact O-CB 3.25Å; F401-R441 WeakPolarHBondContact O-CB 3.1Å; F401-A442 HydrophobicContact CD2-CB 3.72Å; F401-A442 HydrophobicContact CE2-CB 4.1Å; F401-H445 HydrophobicContact CB-CB 3.89Å; F401-I447 HydrophobicContact CB-CD1 3.76Å; F401-I447 HydrophobicContact CD1-CD1 3.11Å; F401-I447 HydrophobicContact CD2-CD1 4.06Å; F401-I447 HydrophobicContact CE1-CD1 3.58Å; F401-I447 HydrophobicContact CE2-CD1 4.43Å; F401-I447 HydrophobicContact CG-CD1 3.37Å; F401-I447 HydrophobicContact CZ-CD1 4.22Å; F401-I452 HydrophobicContact CE2-CD1 3.86Å; F401-I452 HydrophobicContact CZ-CD1 3.98Å; F401-Y455 HydrophobicContact CE2-CE1 4.17Å; F401-Y455 HydrophobicContact CZ-CE1 4.07Å
402	Y	95.7	Very high	96.8	Very high	16 Å²	16	46.5 Å²	46.5	6%	0.063	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.9	-178.9	53.2	-114	0	0	0	114.2	Q251 P400 R431 I432	Q251-Y402 HydrophobicContact CG-CE1 3.97Å; Q251-Y402 HydrophobicContact CG-CE2 4.22Å; P400-Y402 HydrophobicContact CB-CD1 4.15Å; P400-Y402 HydrophobicContact CB-CD2 4.23Å; P400-Y402 HydrophobicContact CB-CE1 3.69Å; P400-Y402 HydrophobicContact CB-CE2 3.76Å; P400-Y402 HydrophobicContact CB-CG 4.4Å; P400-Y402 VanDerWaalsContact CB-CZ 3.47Å; P400-Y402 HydrophobicContact CG-CE1 4.43Å; P400-Y402 HydrophobicContact CG-CE2 4.12Å; P400-Y402 PolarHBondContact O-N 2.92Å; P400-Y402 VanDerWaalsContact O-N 3.08Å; Y402-R431 WeakPolarHBondContact O-CA 3.44Å; Y402-I432 PolarHBondContact O-N 3.26Å
403	T	98.3	Very high	96.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-77.4	126.7	-177.4	-51	0	0	0	0	111	R399 P400 F401 P405 A429	R399-T403 HydrophobicContact CB-CG2 3.92Å; R399-T403 HydrophobicContact CG-CG2 4.42Å; P400-T403 WeakPolarHBondContact O-CB 3.16Å; P400-T403 PolarHBondContact O-N 2.75Å; P400-T403 PolarHBondContact O-OG1 2.81Å; F401-T403 PolarHBondContact O-N 3.31Å; T403-P405 WeakPolarHBondContact O-CD 3.44Å; T403-A429 HydrophobicContact CG2-CB 3.85Å
404	M	98.8	Very high	96.8	Very high	26 Å²	26	46.1 Å²	46.1	13%	0.128	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.1	126.5	178.3	-173.7	64.6	82.6	0	0	111.6	S413 N414 Q430 I432 L437	M404-S413 WeakPolarHBondContact O-CA 3.21Å; M404-N414 HydrophobicContact CB-CB 4.43Å; M404-N414 PolarHBondContact O-N 2.93Å; M404-Q430 HydrophobicContact CB-CB 3.93Å; M404-Q430 HydrophobicContact CB-CG 3.75Å; M404-Q430 HydrophobicContact CG-CG 4.18Å; M404-Q430 PolarHBondContact N-O 3.44Å; M404-I432 HydrophobicContact CB-CG1 4.44Å; M404-I432 HydrophobicContact CE-CG1 4.45Å; M404-I432 HydrophobicContact SD-CG1 4.17Å; M404-L437 HydrophobicContact SD-CD2 4.05Å
405	P	98.6	Very high	96.8	Very high	27 Å²	27	46 Å²	46	18%	0.175	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-60.3	150.8	169.5	-23.2	35	0	0	0	112.5	L396 T403	L396-P405 HydrophobicContact CD1-CG 4.35Å; L396-P405 HydrophobicContact CD2-CB 3.83Å; L396-P405 HydrophobicContact CD2-CG 3.79Å; T403-P405 WeakPolarHBondContact O-CD 3.44Å
406	D	98.5	Very high	96.8	Very high	14 Å²	14	45.9 Å²	45.9	8%	0.075	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71.6	133.4	169.7	179.9	-76.9	0	0	0	110.1	K393 R408 N409 Q412	K393-D406 IonicContact NZ-OD2 3Å; K393-D406 PolarHBondContact NZ-OD2 2.88Å; D406-R408 VanDerWaalsContact C-N 3.28Å; D406-R408 PolarHBondContact O-N 2.84Å; D406-R408 WeakPolarHBondContact OD1-CA 3.42Å; D406-R408 WeakPolarHBondContact OD1-CB 3.46Å; D406-R408 PolarHBondContact OD1-N 2.75Å; D406-N409 CarbonylContact O-C 3.35Å; D406-N409 PolarHBondContact OD1-N 3.15Å; D406-Q412 HydrophobicContact CB-CB 3.91Å; D406-Q412 PolarHBondContact N-O 3.25Å
407	P	97.8	Very high	96.9	Very high	116 Å²	116	45.6 Å²	45.6	75%	0.753	24%	0.244	S	C	*	.	S	Bend	trans	-74.4	-12.1	-174.2	30.1	-36.9	0	0	0	114.5
408	R	97.4	Very high	97.1	Very high	233 Å²	233	42.1 Å²	42.1	88%	0.879	22%	0.216	S	C	*	.	S	Bend	trans	-101.8	-34.9	178.2	-59.4	177	179.9	165.9	1.6	111.6	D406	D406-R408 VanDerWaalsContact C-N 3.28Å; D406-R408 PolarHBondContact O-N 2.84Å; D406-R408 WeakPolarHBondContact OD1-CA 3.42Å; D406-R408 WeakPolarHBondContact OD1-CB 3.46Å; D406-R408 PolarHBondContact OD1-N 2.75Å
409	N	96.1	Very high	97.3	Very high	57 Å²	57	39.7 Å²	39.7	31%	0.305	20%	0.201	S	C	.	.			trans	-132	101.1	178.4	-177.8	4.4	0	0	0	111.1	D406 K411 Q412	D406-N409 CarbonylContact O-C 3.35Å; D406-N409 PolarHBondContact OD1-N 3.15Å; N409-K411 PolarHBondContact O-N 2.86Å; N409-K411 WeakPolarHBondContact OD1-CB 3.47Å; N409-K411 PolarHBondContact OD1-N 2.71Å; N409-Q412 HydrophobicContact CB-CB 4.37Å; N409-Q412 HydrophobicContact CB-CG 4.5Å; N409-Q412 VanDerWaalsContact ND2-CD 3.29Å; N409-Q412 PolarHBondContact ND2-OE1 3.14Å; N409-Q412 PolarHBondContact O-N 2.8Å
410	P	93.5	Very high	97.5	Very high	99 Å²	99	38.8 Å²	38.8	64%	0.643	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.5	-175.6	29.2	-36.4	0	0	0	114.5	L396	L396-P410 WeakPolarHBondContact CD2-O 3.36Å
411	K	96.5	Very high	97.7	Very high	110 Å²	110	39 Å²	39	48%	0.478	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.8	168.3	-69	175.1	159.9	-84.9	0	112.6	E365 P395 L396 N409	E365-K411 WeakPolarHBondContact OE1-CB 3.43Å; E365-K411 VanDerWaalsContact OE1-CD 3.31Å; E365-K411 WeakPolarHBondContact OE1-CD 3.34Å; E365-K411 VanDerWaalsContact OE1-CG 3.24Å; E365-K411 WeakPolarHBondContact OE1-CG 3.32Å; E365-K411 IonicContact OE1-NZ 3.21Å; E365-K411 PolarHBondContact OE1-NZ 3.06Å; E365-K411 IonicContact OE2-NZ 3.34Å; E365-K411 PolarHBondContact OE2-NZ 2.87Å; P395-K411 CarbonylContact C-O 3.32Å; P395-K411 WeakPolarHBondContact CA-O 3.37Å; L396-K411 PolarHBondContact N-O 3.44Å; N409-K411 PolarHBondContact O-N 2.86Å; N409-K411 WeakPolarHBondContact OD1-CB 3.47Å; N409-K411 PolarHBondContact OD1-N 2.71Å
412	Q	97.9	Very high	97.8	Very high	45 Å²	45	38.9 Å²	38.9	21%	0.21	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-99.1	168.9	176.5	-73.5	171.3	-26.5	0	0	111.1	D406 N409	D406-Q412 HydrophobicContact CB-CB 3.91Å; D406-Q412 PolarHBondContact N-O 3.25Å; N409-Q412 HydrophobicContact CB-CB 4.37Å; N409-Q412 HydrophobicContact CB-CG 4.5Å; N409-Q412 VanDerWaalsContact ND2-CD 3.29Å; N409-Q412 PolarHBondContact ND2-OE1 3.14Å; N409-Q412 PolarHBondContact O-N 2.8Å
413	S	98.6	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-137.5	157.4	-179	64.2	0	0	0	0	111.7	K393 Y394 M404 S415	K393-S413 WeakPolarHBondContact CA-O 3.39Å; Y394-S413 PolarHBondContact O-N 2.94Å; Y394-S413 PolarHBondContact O-OG 3.07Å; M404-S413 WeakPolarHBondContact O-CA 3.21Å; S413-S415 PolarHBondContact O-N 3.42Å; S413-S415 PolarHBondContact OG-OG 3.45Å
414	N	98.8	Very high	97.8	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	20%	0.204	C	C	.	.	S	Bend	trans	-81.1	60.7	170.1	-70.8	-12.4	0	0	0	109.7	Y299 K393 M404 A429 Q430	Y299-N414 HydrophobicContact CD1-CB 3.65Å; Y299-N414 HydrophobicContact CE1-CB 3.53Å; Y299-N414 WeakPolarHBondContact CE1-OD1 3.42Å; Y299-N414 HydrophobicContact CE2-CB 4.42Å; Y299-N414 HydrophobicContact CG-CB 4.15Å; K393-N414 PolarHBondContact NZ-OD1 3Å; M404-N414 HydrophobicContact CB-CB 4.43Å; M404-N414 PolarHBondContact O-N 2.93Å; N414-A429 CarbonylContact O-C 3.51Å; N414-A429 WeakPolarHBondContact O-CA 3.38Å; N414-A429 WeakPolarHBondContact O-CB 3.37Å; N414-Q430 HydrophobicContact CB-CB 3.79Å; N414-Q430 PolarHBondContact ND2-OE1 2.98Å; N414-Q430 PolarHBondContact O-N 2.79Å
415	S	98.8	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.6	178.7	69.9	0	0	0	0	112.1	D392 K393 Y394 R399 S413 G428	D392-S415 CarbonylContact C-O 3.38Å; K393-S415 PolarHBondContact N-O 2.92Å; Y394-S415 WeakPolarHBondContact CB-OG 3.37Å; Y394-S415 PolarHBondContact N-O 3.5Å; R399-S415 WeakPolarHBondContact CG-OG 3.44Å; R399-S415 PolarHBondContact NE-OG 3.44Å; S413-S415 PolarHBondContact O-N 3.42Å; S413-S415 PolarHBondContact OG-OG 3.45Å; S415-G428 WeakPolarHBondContact CA-O 3.37Å; S415-G428 WeakPolarHBondContact CB-O 3.17Å
416	Y	98.8	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.1	-170.9	53.7	-88.6	0	0	0	110.1	Y299 M303 I306 L391 M418 L426 G428 G468	Y299-Y416 AromaticContact CD2-CD1 3.93Å; Y299-Y416 HydrophobicContact CD2-CD1 3.93Å; Y299-Y416 AromaticContact CD2-CE1 3.87Å; Y299-Y416 HydrophobicContact CD2-CE1 3.87Å; Y299-Y416 AromaticContact CE2-CD1 3.82Å; Y299-Y416 HydrophobicContact CE2-CD1 3.82Å; Y299-Y416 HydrophobicContact CE2-CE1 4.25Å; M303-Y416 HydrophobicContact CB-CD1 4.21Å; M303-Y416 HydrophobicContact CB-CD2 4.41Å; M303-Y416 HydrophobicContact CB-CE1 3.93Å; M303-Y416 HydrophobicContact CB-CE2 4.14Å; M303-Y416 HydrophobicContact CB-CG 4.44Å; M303-Y416 HydrophobicContact CG-CD1 4.04Å; M303-Y416 HydrophobicContact CG-CD2 3.75Å; M303-Y416 HydrophobicContact CG-CE1 4.21Å; M303-Y416 HydrophobicContact CG-CE2 3.92Å; M303-Y416 HydrophobicContact CG-CG 3.8Å; M303-Y416 HydrophobicContact SD-CD1 4Å; M303-Y416 HydrophobicContact SD-CD2 4.33Å; M303-Y416 HydrophobicContact SD-CG 3.82Å; I306-Y416 HydrophobicContact CD1-CE2 4.47Å; L391-Y416 CarbonylContact O-C 3.54Å; L391-Y416 WeakPolarHBondContact O-CA 3.38Å; Y416-M418 HydrophobicContact CD2-CE 4.19Å; Y416-M418 HydrophobicContact CE2-CE 4.16Å; Y416-L426 HydrophobicContact CD2-CD2 4.07Å; Y416-L426 HydrophobicContact CE2-CD2 3.92Å; Y416-G428 PolarHBondContact N-O 3.31Å; Y416-G428 CarbonylContact O-C 3.57Å; Y416-G428 WeakPolarHBondContact O-CA 3.43Å; Y416-G428 PolarHBondContact O-N 2.9Å; Y416-G468 PolarHBondContact OH-O 3.02Å
417	D	98.7	Very high	97.6	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.6	168.2	-63.6	-20.5	0	0	0	109.3	L391 Y394 R399 F419 E424 L426 S427	L391-D417 PolarHBondContact N-O 2.9Å; L391-D417 PolarHBondContact O-N 2.79Å; Y394-D417 WeakPolarHBondContact CE1-OD2 3.36Å; Y394-D417 HydrophobicContact CE2-CB 4.15Å; Y394-D417 PolarHBondContact OH-OD2 2.87Å; R399-D417 IonicContact CZ-OD1 3.31Å; R399-D417 VanDerWaalsContact CZ-OD1 3.32Å; R399-D417 IonicContact CZ-OD2 2.91Å; R399-D417 VanDerWaalsContact CZ-OD2 3.31Å; R399-D417 VanDerWaalsContact NH1-CG 3.33Å; R399-D417 IonicContact NH1-OD1 3.11Å; R399-D417 PolarHBondContact NH1-OD1 3.39Å; R399-D417 IonicContact NH1-OD2 2.85Å; R399-D417 PolarHBondContact NH1-OD2 3.27Å; R399-D417 IonicContact NH2-OD1 3.55Å; R399-D417 PolarHBondContact NH2-OD1 2.98Å; R399-D417 IonicContact NH2-OD2 2.67Å; R399-D417 PolarHBondContact NH2-OD2 3.25Å; D417-F419 HydrophobicContact CB-CE2 3.76Å; D417-F419 HydrophobicContact CB-CZ 4.18Å; D417-E424 HydrophobicContact CB-CG 4.21Å; D417-L426 CarbonylContact C-O 3.59Å; D417-L426 WeakPolarHBondContact CA-O 3.41Å; D417-L426 WeakPolarHBondContact CB-O 3.38Å; D417-S427 WeakPolarHBondContact OD1-CA 3.47Å; D417-S427 WeakPolarHBondContact OD1-CB 3.43Å; D417-S427 PolarHBondContact OD1-OG 2.96Å
418	M	98.8	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.9	173.6	-57.2	-175.2	-179.8	0	0	110.2	M303 I306 A307 F388 I390 Y416 I425 L426	M303-M418 HydrophobicContact CG-CE 4.23Å; M303-M418 WeakPolarHBondContact O-CE 3.36Å; I306-M418 HydrophobicContact CB-CE 4.04Å; I306-M418 HydrophobicContact CG2-CE 3.58Å; I306-M418 HydrophobicContact CG2-SD 3.89Å; A307-M418 HydrophobicContact CB-CE 4.11Å; F388-M418 HydrophobicContact CE2-CB 4.02Å; F388-M418 HydrophobicContact CE2-SD 4.4Å; F388-M418 HydrophobicContact CZ-CB 4.44Å; F388-M418 HydrophobicContact CZ-SD 3.92Å; I390-M418 HydrophobicContact CD1-CE 4.12Å; I390-M418 HydrophobicContact CG1-CE 4.17Å; I390-M418 HydrophobicContact CG1-CG 4.12Å; I390-M418 HydrophobicContact CG1-SD 4.43Å; I390-M418 HydrophobicContact CG2-CE 4.48Å; I390-M418 HydrophobicContact CG2-CG 4.26Å; Y416-M418 HydrophobicContact CD2-CE 4.19Å; Y416-M418 HydrophobicContact CE2-CE 4.16Å; M418-I425 HydrophobicContact CB-CD1 4.43Å; M418-I425 HydrophobicContact CB-CG1 4.22Å; M418-I425 WeakPolarHBondContact O-CG1 3.44Å; M418-I425 PolarHBondContact O-N 3.22Å; M418-L426 HydrophobicContact CB-CB 4.18Å; M418-L426 HydrophobicContact CG-CB 4.5Å; M418-L426 HydrophobicContact CG-CD2 4.11Å; M418-L426 PolarHBondContact N-O 2.92Å; M418-L426 HydrophobicContact SD-CD1 4.23Å
419	F	98.8	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.4	-171.4	-70.8	-93.3	0	0	0	111.2	E373 F388 Y389 L391 Y394 D417 E423 E424	E373-F419 HydrophobicContact CB-CE1 4.13Å; E373-F419 HydrophobicContact CG-CE1 4.04Å; E373-F419 WeakPolarHBondContact OE1-CE1 3.3Å; F388-F419 WeakPolarHBondContact CA-O 3.4Å; F388-F419 WeakPolarHBondContact CD2-O 3.17Å; Y389-F419 HydrophobicContact CD1-CB 3.86Å; Y389-F419 HydrophobicContact CD2-CB 4.48Å; Y389-F419 HydrophobicContact CD2-CD2 4.32Å; Y389-F419 HydrophobicContact CE1-CB 3.41Å; Y389-F419 VanDerWaalsContact CE1-CB 3.41Å; Y389-F419 HydrophobicContact CE1-CG 4.04Å; Y389-F419 HydrophobicContact CE2-CB 4.1Å; Y389-F419 AromaticContact CE2-CD2 3.71Å; Y389-F419 HydrophobicContact CE2-CD2 3.71Å; Y389-F419 HydrophobicContact CE2-CE2 4.45Å; Y389-F419 AromaticContact CE2-CG 4Å; Y389-F419 HydrophobicContact CE2-CG 4Å; Y389-F419 HydrophobicContact CG-CB 4.37Å; Y389-F419 AromaticContact CZ-CD2 3.84Å; Y389-F419 AromaticContact CZ-CG 3.62Å; Y389-F419 PolarHBondContact N-O 3.04Å; Y389-F419 PolarHBondContact O-N 2.83Å; L391-F419 HydrophobicContact CB-CD2 4.31Å; L391-F419 HydrophobicContact CB-CE2 3.86Å; L391-F419 HydrophobicContact CD2-CE2 4.37Å; Y394-F419 WeakPolarHBondContact OH-CZ 3.44Å; D417-F419 HydrophobicContact CB-CE2 3.76Å; D417-F419 HydrophobicContact CB-CZ 4.18Å; F419-E423 WeakPolarHBondContact CA-O 3.44Å; F419-E424 HydrophobicContact CD1-CB 4.36Å; F419-E424 HydrophobicContact CE1-CB 3.96Å; F419-E424 HydrophobicContact CZ-CB 4.42Å
420	M	98.7	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.5	167.6	-68.6	-179.2	69	0	0	109	M310 F314 F337 D387 F388 G422 E423 I425 V476 L479 F480	M310-M420 HydrophobicContact CE-SD 4.4Å; F314-M420 HydrophobicContact CE1-CE 3.55Å; F314-M420 HydrophobicContact CE1-SD 3.97Å; F314-M420 HydrophobicContact CZ-CE 3.93Å; F314-M420 HydrophobicContact CZ-CG 4.42Å; F314-M420 HydrophobicContact CZ-SD 3.95Å; F337-M420 HydrophobicContact CD2-CE 4.11Å; F337-M420 HydrophobicContact CE1-CE 4.1Å; F337-M420 HydrophobicContact CE2-CB 4.01Å; F337-M420 HydrophobicContact CE2-CE 3.49Å; F337-M420 VanDerWaalsContact CE2-CE 3.49Å; F337-M420 HydrophobicContact CE2-CG 4.18Å; F337-M420 HydrophobicContact CZ-CB 4.16Å; F337-M420 HydrophobicContact CZ-CE 3.5Å; F337-M420 VanDerWaalsContact CZ-CE 3.5Å; F337-M420 HydrophobicContact CZ-CG 3.86Å; F337-M420 HydrophobicContact CZ-SD 4.44Å; D387-M420 CarbonylContact O-C 3.53Å; D387-M420 WeakPolarHBondContact O-CA 3.39Å; F388-M420 HydrophobicContact CD2-CG 4.08Å; M420-G422 PolarHBondContact O-N 2.97Å; M420-E423 PolarHBondContact N-O 3.3Å; M420-E423 PolarHBondContact O-N 3.39Å; M420-I425 HydrophobicContact CB-CG2 3.83Å; M420-I425 HydrophobicContact CG-CB 4.5Å; M420-I425 HydrophobicContact CG-CD1 3.91Å; M420-I425 HydrophobicContact CG-CG1 4.01Å; M420-I425 HydrophobicContact CG-CG2 3.78Å; M420-I425 HydrophobicContact SD-CB 4.48Å; M420-I425 HydrophobicContact SD-CD1 3.79Å; M420-I425 HydrophobicContact SD-CG1 4.31Å; M420-I425 HydrophobicContact SD-CG2 3.81Å; M420-V476 HydrophobicContact CE-CG1 4.36Å; M420-V476 HydrophobicContact SD-CB 4.29Å; M420-V476 HydrophobicContact SD-CG1 3.97Å; M420-V476 HydrophobicContact SD-CG2 4.13Å; M420-L479 HydrophobicContact CB-CB 3.74Å; M420-L479 HydrophobicContact CB-CD1 4.05Å; M420-L479 HydrophobicContact CB-CG 4.5Å; M420-L479 HydrophobicContact CE-CB 4.43Å; M420-F480 HydrophobicContact CE-CB 3.85Å; M420-F480 HydrophobicContact CE-CD2 4.32Å
421	R	97.9	Very high	98.1	Very high	54 Å²	54	18.1 Å²	18.1	20%	0.204	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.7	-177.5	-53.5	-164.9	-174.7	-86.9	12.8	114.2	C334 E335 F337 D387 L479	C334-R421 PolarHBondContact SG-NH2 3.24Å; C334-R421 VanDerWaalsContact SG-NH2 3.44Å; E335-R421 PolarHBondContact O-NH2 2.87Å; F337-R421 HydrophobicContact CD2-CG 4.29Å; F337-R421 HydrophobicContact CE2-CG 4.06Å; D387-R421 HydrophobicContact CB-CG 4.03Å; D387-R421 PolarHBondContact O-N 2.84Å; D387-R421 IonicContact OD1-CZ 3.86Å; D387-R421 IonicContact OD1-NH1 3.14Å; D387-R421 PolarHBondContact OD1-NH1 2.96Å; D387-R421 IonicContact OD2-CZ 3.69Å; D387-R421 IonicContact OD2-NH1 2.71Å; D387-R421 PolarHBondContact OD2-NH1 3.27Å; R421-L479 WeakPolarHBondContact CD-O 3.49Å; R421-L479 PolarHBondContact NE-O 3.47Å
422	G	96.6	Very high	98.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	22.1	-178.7	0	0	0	0	0	114.9	E373 K374 M420	E373-G422 CarbonylContact C-O 3.58Å; E373-G422 VanDerWaalsContact C-O 3.25Å; K374-G422 WeakPolarHBondContact CA-O 3.49Å; K374-G422 WeakPolarHBondContact CG-O 3.35Å; K374-G422 PolarHBondContact N-O 2.79Å; M420-G422 PolarHBondContact O-N 2.97Å
423	E	96.9	Very high	98.2	Very high	13 Å²	13	13.2 Å²	13.2	6%	0.061	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.8	168.7	-52.2	-165.3	-171.4	0	0	109.7	R281 K374 F419 M420 L479	R281-E423 WeakPolarHBondContact CD-OE2 3.34Å; R281-E423 IonicContact CZ-OE1 3.22Å; R281-E423 IonicContact CZ-OE2 2.84Å; R281-E423 VanDerWaalsContact CZ-OE2 3.26Å; R281-E423 IonicContact NE-OE1 2.75Å; R281-E423 IonicContact NE-OE2 3.32Å; R281-E423 PolarHBondContact NE-OE2 3.03Å; R281-E423 VanDerWaalsContact NE-OE2 3.12Å; R281-E423 VanDerWaalsContact NH1-CG 3.32Å; R281-E423 IonicContact NH1-OE1 2.84Å; R281-E423 IonicContact NH1-OE2 2.98Å; R281-E423 PolarHBondContact NH1-OE2 3.28Å; R281-E423 IonicContact NH2-OE1 3.26Å; K374-E423 WeakPolarHBondContact CE-OE1 3.36Å; K374-E423 HydrophobicContact CG-CG 4.49Å; K374-E423 IonicContact NZ-OE1 3.83Å; K374-E423 PolarHBondContact NZ-OE1 3.47Å; F419-E423 WeakPolarHBondContact CA-O 3.44Å; M420-E423 PolarHBondContact N-O 3.3Å; M420-E423 PolarHBondContact O-N 3.39Å; E423-L479 HydrophobicContact CB-CD1 3.84Å; E423-L479 HydrophobicContact CB-CD2 3.95Å; E423-L479 HydrophobicContact CG-CD2 3.92Å
424	E	97.3	Very high	98.2	Very high	58 Å²	58	16.7 Å²	16.7	27%	0.271	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	142.9	177	-170.5	-140.3	140.9	0	0	110.9	D417 F419 R475	D417-E424 HydrophobicContact CB-CG 4.21Å; F419-E424 HydrophobicContact CD1-CB 4.36Å; F419-E424 HydrophobicContact CE1-CB 3.96Å; F419-E424 HydrophobicContact CZ-CB 4.42Å; E424-R475 PolarHBondContact O-NE 3.48Å; E424-R475 PolarHBondContact O-NH2 2.99Å
425	I	97.5	Very high	98.2	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-19.4	171.1	56.6	140	0	0	0	114.3	M310 F388 M418 M420 I471 G472 R475 V476 L479	M310-I425 HydrophobicContact CE-CD1 3.64Å; M310-I425 HydrophobicContact SD-CD1 4.38Å; F388-I425 HydrophobicContact CE2-CD1 4.26Å; M418-I425 HydrophobicContact CB-CD1 4.43Å; M418-I425 HydrophobicContact CB-CG1 4.22Å; M418-I425 WeakPolarHBondContact O-CG1 3.44Å; M418-I425 PolarHBondContact O-N 3.22Å; M420-I425 HydrophobicContact CB-CG2 3.83Å; M420-I425 HydrophobicContact CG-CB 4.5Å; M420-I425 HydrophobicContact CG-CD1 3.91Å; M420-I425 HydrophobicContact CG-CG1 4.01Å; M420-I425 HydrophobicContact CG-CG2 3.78Å; M420-I425 HydrophobicContact SD-CB 4.48Å; M420-I425 HydrophobicContact SD-CD1 3.79Å; M420-I425 HydrophobicContact SD-CG1 4.31Å; M420-I425 HydrophobicContact SD-CG2 3.81Å; I425-I471 WeakPolarHBondContact O-CA 3.41Å; I425-G472 PolarHBondContact O-N 3.06Å; I425-R475 HydrophobicContact CG2-CG 4.46Å; I425-V476 HydrophobicContact CB-CG2 4.01Å; I425-V476 HydrophobicContact CD1-CG2 3.94Å; I425-V476 HydrophobicContact CG2-CG2 4.17Å; I425-L479 HydrophobicContact CG2-CD1 3.5Å; I425-L479 VanDerWaalsContact CG2-CD1 3.5Å
426	L	97.9	Very high	98.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135.6	-176.8	174.5	156.6	0	0	0	108	I306 Y416 D417 M418 G470 I471	I306-L426 HydrophobicContact CG2-CD1 3.46Å; I306-L426 VanDerWaalsContact CG2-CD1 3.46Å; Y416-L426 HydrophobicContact CD2-CD2 4.07Å; Y416-L426 HydrophobicContact CE2-CD2 3.92Å; D417-L426 CarbonylContact C-O 3.59Å; D417-L426 WeakPolarHBondContact CA-O 3.41Å; D417-L426 WeakPolarHBondContact CB-O 3.38Å; M418-L426 HydrophobicContact CB-CB 4.18Å; M418-L426 HydrophobicContact CG-CB 4.5Å; M418-L426 HydrophobicContact CG-CD2 4.11Å; M418-L426 PolarHBondContact N-O 2.92Å; M418-L426 HydrophobicContact SD-CD1 4.23Å; L426-G470 WeakPolarHBondContact CA-O 3.25Å; L426-I471 HydrophobicContact CB-CG1 4.12Å; L426-I471 HydrophobicContact CD1-CD1 4.19Å; L426-I471 HydrophobicContact CD1-CG1 3.65Å; L426-I471 HydrophobicContact CG-CG1 4.23Å
427	S	96.8	Very high	98.1	Very high	48 Å²	48	26 Å²	26	34%	0.336	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.9	157.2	-169.4	0	0	0	0	110.4	R399 D417 G469 G470	R399-S427 PolarHBondContact NH1-OG 3.22Å; D417-S427 WeakPolarHBondContact OD1-CA 3.47Å; D417-S427 WeakPolarHBondContact OD1-CB 3.43Å; D417-S427 PolarHBondContact OD1-OG 2.96Å; S427-G469 WeakPolarHBondContact O-CA 3.16Å; S427-G470 PolarHBondContact O-N 3.42Å
428	G	98.2	Very high	98.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.8	-172.7	0	0	0	0	0	112.7	S415 Y416 G468	S415-G428 WeakPolarHBondContact CA-O 3.37Å; S415-G428 WeakPolarHBondContact CB-O 3.17Å; Y416-G428 PolarHBondContact N-O 3.31Å; Y416-G428 CarbonylContact O-C 3.57Å; Y416-G428 WeakPolarHBondContact O-CA 3.43Å; Y416-G428 PolarHBondContact O-N 2.9Å; G428-G468 CarbonylContact C-O 3.57Å; G428-G468 WeakPolarHBondContact CA-O 3.46Å
429	A	98.7	Very high	98	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	162.2	176	0	0	0	0	0	112.7	T403 N414 R431 A467 G468	T403-A429 HydrophobicContact CG2-CB 3.85Å; N414-A429 CarbonylContact O-C 3.51Å; N414-A429 WeakPolarHBondContact O-CA 3.38Å; N414-A429 WeakPolarHBondContact O-CB 3.37Å; A429-R431 PolarHBondContact O-NE 2.86Å; A429-A467 WeakPolarHBondContact O-CA 3.31Å; A429-A467 WeakPolarHBondContact O-CB 3.06Å; A429-G468 PolarHBondContact N-O 3.25Å; A429-G468 PolarHBondContact O-N 2.79Å; A429-G468 VanDerWaalsContact O-N 3.11Å
430	Q	98.9	Very high	98	Very high	19 Å²	19	32 Å²	32	9%	0.089	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.4	152.7	-177.5	178.5	-6.6	0	0	110.5	F295 Y299 M404 N414 A467	F295-Q430 HydrophobicContact CE1-CG 3.99Å; F295-Q430 HydrophobicContact CZ-CG 3.95Å; Y299-Q430 HydrophobicContact CG-CB 4.22Å; M404-Q430 HydrophobicContact CB-CB 3.93Å; M404-Q430 HydrophobicContact CB-CG 3.75Å; M404-Q430 HydrophobicContact CG-CG 4.18Å; M404-Q430 PolarHBondContact N-O 3.44Å; N414-Q430 HydrophobicContact CB-CB 3.79Å; N414-Q430 PolarHBondContact ND2-OE1 2.98Å; N414-Q430 PolarHBondContact O-N 2.79Å; Q430-A467 HydrophobicContact CB-CB 4.4Å
431	R	98.5	Very high	97.9	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.023	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-98	151.3	178.2	-43.8	-54.4	175.4	-172.2	2.9	111.9	Q251 Q255 E292 Y402 A429 H433 H466 G468	Q251-R431 VanDerWaalsContact NE2-CZ 3.32Å; Q251-R431 VanDerWaalsContact NE2-NE 3.18Å; Q251-R431 VanDerWaalsContact OE1-NH2 3.14Å; Q255-R431 HydrophobicContact CG-CG 4.16Å; Q255-R431 VanDerWaalsContact OE1-CB 3.27Å; Q255-R431 VanDerWaalsContact OE1-CG 3.3Å; E292-R431 WeakPolarHBondContact OE1-CG 3.44Å; E292-R431 IonicContact OE1-CZ 2.8Å; E292-R431 IonicContact OE1-NE 2.86Å; E292-R431 PolarHBondContact OE1-NE 3.25Å; E292-R431 IonicContact OE1-NH2 2.71Å; E292-R431 IonicContact OE2-CZ 3.66Å; E292-R431 IonicContact OE2-NE 3.54Å; E292-R431 IonicContact OE2-NH2 2.71Å; E292-R431 PolarHBondContact OE2-NH2 2.96Å; Y402-R431 WeakPolarHBondContact O-CA 3.44Å; A429-R431 PolarHBondContact O-NE 2.86Å; R431-H433 PolarHBondContact O-N 2.59Å; R431-H466 WeakPolarHBondContact CB-NE2 3.35Å; R431-H466 PolarHBondContact N-O 3.17Å; R431-G468 PolarHBondContact NH2-O 3.43Å
432	I	98.7	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-75.9	107.8	169.1	-55.3	163.6	0	0	0	108.5	F401 Y402 M404 D434 L437 L438 R441	F401-I432 VanDerWaalsContact O-CD1 3.31Å; F401-I432 WeakPolarHBondContact O-CD1 3.31Å; Y402-I432 PolarHBondContact O-N 3.26Å; M404-I432 HydrophobicContact CB-CG1 4.44Å; M404-I432 HydrophobicContact CE-CG1 4.45Å; M404-I432 HydrophobicContact SD-CG1 4.17Å; I432-D434 WeakPolarHBondContact CG2-O 3.07Å; I432-L437 HydrophobicContact CD1-CG 4.35Å; I432-L437 HydrophobicContact CG2-CB 3.82Å; I432-L437 HydrophobicContact CG2-CD2 3.94Å; I432-L437 HydrophobicContact CG2-CG 3.79Å; I432-L438 HydrophobicContact CB-CB 4.29Å; I432-L438 HydrophobicContact CB-CD1 4.25Å; I432-L438 HydrophobicContact CG2-CB 3.86Å; I432-R441 HydrophobicContact CD1-CB 3.95Å; I432-R441 HydrophobicContact CD1-CG 3.69Å
433	H	98.6	Very high	97.6	Very high	53 Å²	53	35.5 Å²	35.5	25%	0.245	18%	0.181	C	C	.	.			trans	-93.2	-11	177	60	-80.6	0	0	0	112.9	R431 A463 P464	R431-H433 PolarHBondContact O-N 2.59Å; H433-A463 HydrophobicContact CB-CB 4.02Å; H433-P464 WeakPolarHBondContact CB-O 3.11Å
434	D	98.6	Very high	97.4	Very high	72 Å²	72	41.5 Å²	41.5	39%	0.385	21%	0.209	S	C	.	.	S	Bend	trans	-82.8	122.6	171.1	175.6	-97.8	0	0	0	110.7	I432 Q436 L437 L438	I432-D434 WeakPolarHBondContact CG2-O 3.07Å; D434-Q436 VanDerWaalsContact C-N 3.29Å; D434-Q436 PolarHBondContact O-N 3.44Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.43Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.36Å; D434-Q436 PolarHBondContact OD1-N 2.89Å; D434-L437 HydrophobicContact CB-CB 4.35Å; D434-L437 PolarHBondContact OD1-N 3Å; D434-L438 VanDerWaalsContact O-CB 3.26Å; D434-L438 WeakPolarHBondContact O-CB 3.33Å; D434-L438 PolarHBondContact O-N 3.31Å
435	P	98.3	Very high	97.1	Very high	24 Å²	24	42.1 Å²	42.1	16%	0.156	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-23.3	-175.3	27	-35.3	0	0	0	113.8	T439 I456 F459 R460	P435-T439 WeakPolarHBondContact O-CB 3.38Å; P435-T439 PolarHBondContact O-N 3.11Å; P435-T439 PolarHBondContact O-OG1 3.29Å; P435-I456 HydrophobicContact CB-CG2 4.39Å; P435-F459 HydrophobicContact CB-CB 4.24Å; P435-R460 HydrophobicContact CB-CG 4.21Å; P435-R460 HydrophobicContact CG-CG 4.33Å
436	Q	98.3	Very high	96.8	Very high	130 Å²	130	45.1 Å²	45.1	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-74.1	-54.8	177.4	178.7	-179.7	-24	0	0	110	D434 L438 T439 E440	D434-Q436 VanDerWaalsContact C-N 3.29Å; D434-Q436 PolarHBondContact O-N 3.44Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.43Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.36Å; D434-Q436 PolarHBondContact OD1-N 2.89Å; Q436-L438 VanDerWaalsContact C-N 3.25Å; Q436-L438 PolarHBondContact O-N 2.93Å; Q436-T439 WeakPolarHBondContact O-CA 3.37Å; Q436-T439 WeakPolarHBondContact O-CB 3.35Å; Q436-T439 PolarHBondContact O-N 2.69Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.44Å; Q436-E440 PolarHBondContact NE2-OE1 2.93Å; Q436-E440 WeakPolarHBondContact O-CG 3.47Å; Q436-E440 PolarHBondContact O-N 2.93Å
437	L	98.3	Very high	96.3	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-36.8	177.5	-180	60.1	0	0	0	111.7	M404 I432 D434 T439 E440 R441	M404-L437 HydrophobicContact SD-CD2 4.05Å; I432-L437 HydrophobicContact CD1-CG 4.35Å; I432-L437 HydrophobicContact CG2-CB 3.82Å; I432-L437 HydrophobicContact CG2-CD2 3.94Å; I432-L437 HydrophobicContact CG2-CG 3.79Å; D434-L437 HydrophobicContact CB-CB 4.35Å; D434-L437 PolarHBondContact OD1-N 3Å; L437-T439 VanDerWaalsContact C-N 3.31Å; L437-T439 PolarHBondContact O-N 2.94Å; L437-E440 PolarHBondContact O-N 3.32Å; L437-R441 HydrophobicContact CD1-CG 4.21Å; L437-R441 WeakPolarHBondContact O-CB 3.46Å; L437-R441 WeakPolarHBondContact O-CG 3.43Å; L437-R441 PolarHBondContact O-N 2.76Å
438	L	97.9	Very high	95.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-39.8	174.8	-179.3	63.7	0	0	0	111.4	F401 I432 D434 Q436 A442 Y455 I456 F459	F401-L438 HydrophobicContact CD2-CD1 3.97Å; F401-L438 HydrophobicContact CE2-CD1 3.76Å; I432-L438 HydrophobicContact CB-CB 4.29Å; I432-L438 HydrophobicContact CB-CD1 4.25Å; I432-L438 HydrophobicContact CG2-CB 3.86Å; D434-L438 VanDerWaalsContact O-CB 3.26Å; D434-L438 WeakPolarHBondContact O-CB 3.33Å; D434-L438 PolarHBondContact O-N 3.31Å; Q436-L438 VanDerWaalsContact C-N 3.25Å; Q436-L438 PolarHBondContact O-N 2.93Å; L438-A442 VanDerWaalsContact O-CB 3.3Å; L438-A442 WeakPolarHBondContact O-CB 3.37Å; L438-A442 PolarHBondContact O-N 2.76Å; L438-Y455 HydrophobicContact CD1-CE1 4.25Å; L438-Y455 HydrophobicContact CD2-CD1 4.4Å; L438-Y455 HydrophobicContact CD2-CE1 3.84Å; L438-I456 HydrophobicContact CD2-CG1 4.2Å; L438-F459 HydrophobicContact CD2-CD2 3.52Å; L438-F459 HydrophobicContact CD2-CE2 3.52Å; L438-F459 HydrophobicContact CD2-CG 4.26Å; L438-F459 HydrophobicContact CD2-CZ 4.25Å
439	T	97.8	Very high	95.5	Very high	32 Å²	32	49.8 Å²	49.8	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-44.5	176.1	-58.6	0	0	0	0	111.3	P435 Q436 L437 R441 A442 L443 L449	P435-T439 WeakPolarHBondContact O-CB 3.38Å; P435-T439 PolarHBondContact O-N 3.11Å; P435-T439 PolarHBondContact O-OG1 3.29Å; Q436-T439 WeakPolarHBondContact O-CA 3.37Å; Q436-T439 WeakPolarHBondContact O-CB 3.35Å; Q436-T439 PolarHBondContact O-N 2.69Å; L437-T439 VanDerWaalsContact C-N 3.31Å; L437-T439 PolarHBondContact O-N 2.94Å; T439-R441 VanDerWaalsContact C-N 3.35Å; T439-R441 PolarHBondContact O-N 2.92Å; T439-A442 PolarHBondContact O-N 2.81Å; T439-L443 HydrophobicContact CG2-CD1 4.31Å; T439-L443 WeakPolarHBondContact O-CG 3.42Å; T439-L443 PolarHBondContact O-N 3.31Å; T439-L449 HydrophobicContact CG2-CD1 3.64Å; T439-L449 HydrophobicContact CG2-CD2 4.05Å
440	E	97.8	Very high	95	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-42.8	176.8	-70.1	172.5	-168.7	0	0	111.7	Q436 L437 L443 H444	Q436-E440 WeakPolarHBondContact CG-OE1 3.44Å; Q436-E440 PolarHBondContact NE2-OE1 2.93Å; Q436-E440 WeakPolarHBondContact O-CG 3.47Å; Q436-E440 PolarHBondContact O-N 2.93Å; L437-E440 PolarHBondContact O-N 3.32Å; E440-L443 PolarHBondContact O-N 3.03Å; E440-H444 PolarHBondContact O-N 3.27Å
441	R	96	Very high	94.3	Very high	24 Å²	24	61.6 Å²	61.6	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-71.6	-36.3	176.2	-70.3	-68.4	-62.1	157.5	-2	113.2	F401 I432 L437 T439 H444 H445	F401-R441 VanDerWaalsContact O-CB 3.25Å; F401-R441 WeakPolarHBondContact O-CB 3.1Å; I432-R441 HydrophobicContact CD1-CB 3.95Å; I432-R441 HydrophobicContact CD1-CG 3.69Å; L437-R441 HydrophobicContact CD1-CG 4.21Å; L437-R441 WeakPolarHBondContact O-CB 3.46Å; L437-R441 WeakPolarHBondContact O-CG 3.43Å; L437-R441 PolarHBondContact O-N 2.76Å; T439-R441 VanDerWaalsContact C-N 3.35Å; T439-R441 PolarHBondContact O-N 2.92Å; R441-H444 PolarHBondContact O-N 3.35Å; R441-H445 PolarHBondContact NH2-NE2 3.08Å; R441-H445 VanDerWaalsContact NH2-NE2 3.15Å; R441-H445 PolarHBondContact O-CD2 3.45Å; R441-H445 PolarHBondContact O-N 3.22Å; R441-H445 VanDerWaalsContact O-N 3.08Å
442	A	93.4	Very high	93.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-44.3	172	0	0	0	0	0	111.5	F401 L438 T439 H445 G446 I447 L449 I452	F401-A442 HydrophobicContact CD2-CB 3.72Å; F401-A442 HydrophobicContact CE2-CB 4.1Å; L438-A442 VanDerWaalsContact O-CB 3.3Å; L438-A442 WeakPolarHBondContact O-CB 3.37Å; L438-A442 PolarHBondContact O-N 2.76Å; T439-A442 PolarHBondContact O-N 2.81Å; A442-H445 CarbonylContact O-C 3.58Å; A442-H445 PolarHBondContact O-N 2.8Å; A442-G446 PolarHBondContact O-N 2.84Å; A442-I447 HydrophobicContact CB-CB 4.27Å; A442-I447 WeakPolarHBondContact O-CB 3.42Å; A442-I447 PolarHBondContact O-N 3.13Å; A442-L449 HydrophobicContact CB-CD2 3.66Å; A442-I452 HydrophobicContact CB-CD1 4.09Å
443	L	94.9	Very high	93.4	Very high	104 Å²	104	66.2 Å²	66.2	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-42	175	-71.9	172	0	0	0	112.5	T439 E440 H445 G446 L449	T439-L443 HydrophobicContact CG2-CD1 4.31Å; T439-L443 WeakPolarHBondContact O-CG 3.42Å; T439-L443 PolarHBondContact O-N 3.31Å; E440-L443 PolarHBondContact O-N 3.03Å; L443-H445 PolarHBondContact O-N 2.79Å; L443-G446 PolarHBondContact O-N 2.8Å; L443-L449 HydrophobicContact CD1-CD1 4.33Å; L443-L449 HydrophobicContact CD2-CD1 3.84Å; L443-L449 HydrophobicContact CD2-CD2 4.44Å; L443-L449 HydrophobicContact CD2-CG 4.06Å; L443-L449 HydrophobicContact CG-CD1 4.06Å; L443-L449 HydrophobicContact CG-CD2 4.34Å; L443-L449 HydrophobicContact CG-CG 4.42Å
444	H	93.6	Very high	93.1	Very high	140 Å²	140	67.2 Å²	67.2	65%	0.648	36%	0.355	S	S	*	.	H	α-helix	trans	-58.2	-36.1	173.8	178.3	-65	0	0	0	112.4	E440 R441 G446	E440-H444 PolarHBondContact O-N 3.27Å; R441-H444 PolarHBondContact O-N 3.35Å; H444-G446 VanDerWaalsContact C-N 3.27Å; H444-G446 PolarHBondContact O-N 3.44Å
445	H	90.8	Very high	92.8	Very high	70 Å²	70	64.1 Å²	64.1	32%	0.324	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.3	176.3	-82.1	-103.8	0	0	0	113.7	R399 F401 R441 A442 L443 I447	R399-H445 PolarHBondContact O-CE1 2.64Å; F401-H445 HydrophobicContact CB-CB 3.89Å; R441-H445 PolarHBondContact NH2-NE2 3.08Å; R441-H445 VanDerWaalsContact NH2-NE2 3.15Å; R441-H445 PolarHBondContact O-CD2 3.45Å; R441-H445 PolarHBondContact O-N 3.22Å; R441-H445 VanDerWaalsContact O-N 3.08Å; A442-H445 CarbonylContact O-C 3.58Å; A442-H445 PolarHBondContact O-N 2.8Å; L443-H445 PolarHBondContact O-N 2.79Å; H445-I447 VanDerWaalsContact C-N 3.26Å; H445-I447 HydrophobicContact CB-CD1 3.97Å; H445-I447 HydrophobicContact CB-CG1 3.96Å; H445-I447 PolarHBondContact O-N 3.06Å
446	G	90.8	Very high	92.7	Very high	68 Å²	68	63.2 Å²	63.2	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	21.3	179.9	0	0	0	0	0	114.3	A442 L443 H444	A442-G446 PolarHBondContact O-N 2.84Å; L443-G446 PolarHBondContact O-N 2.8Å; H444-G446 VanDerWaalsContact C-N 3.27Å; H444-G446 PolarHBondContact O-N 3.44Å
447	I	86.8	Confident	92.7	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.118	31%	0.313	C	S	.	.			trans	-82	129.8	-175.9	-58.2	176.7	0	0	0	110.4	F401 A442 H445 L449 I452	F401-I447 HydrophobicContact CB-CD1 3.76Å; F401-I447 HydrophobicContact CD1-CD1 3.11Å; F401-I447 HydrophobicContact CD2-CD1 4.06Å; F401-I447 HydrophobicContact CE1-CD1 3.58Å; F401-I447 HydrophobicContact CE2-CD1 4.43Å; F401-I447 HydrophobicContact CG-CD1 3.37Å; F401-I447 HydrophobicContact CZ-CD1 4.22Å; A442-I447 HydrophobicContact CB-CB 4.27Å; A442-I447 WeakPolarHBondContact O-CB 3.42Å; A442-I447 PolarHBondContact O-N 3.13Å; H445-I447 VanDerWaalsContact C-N 3.26Å; H445-I447 HydrophobicContact CB-CD1 3.97Å; H445-I447 HydrophobicContact CB-CG1 3.96Å; H445-I447 PolarHBondContact O-N 3.06Å; I447-L449 PolarHBondContact O-N 2.8Å; I447-L449 VanDerWaalsContact O-N 3.14Å; I447-I452 HydrophobicContact CG2-CD1 3.77Å; I447-I452 HydrophobicContact CG2-CG1 4.22Å
448	D	88.1	Confident	92.6	Very high	74 Å²	74	57.7 Å²	57.7	40%	0.396	31%	0.309	S	S	.	.			trans	-67.6	106.1	174.1	178.9	-0.7	0	0	0	110.8	E450 K451	D448-E450 PolarHBondContact O-N 3.24Å; D448-E450 PolarHBondContact OD1-N 3.32Å; D448-K451 HydrophobicContact CB-CD 4.08Å; D448-K451 HydrophobicContact CB-CG 4.32Å; D448-K451 PolarHBondContact O-N 3.44Å; D448-K451 WeakPolarHBondContact OD2-CD 3.46Å; D448-K451 WeakPolarHBondContact OD2-CE 3.4Å; D448-K451 IonicContact OD2-NZ 3.9Å; D448-K451 PolarHBondContact OD2-NZ 3.35Å
449	L	90.1	Very high	92.7	Very high	51 Å²	51	57.9 Å²	57.9	27%	0.267	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.3	-175.7	-59.5	-179.5	0	0	0	113.2	T439 A442 L443 I447 K451 I452 K453 I456	T439-L449 HydrophobicContact CG2-CD1 3.64Å; T439-L449 HydrophobicContact CG2-CD2 4.05Å; A442-L449 HydrophobicContact CB-CD2 3.66Å; L443-L449 HydrophobicContact CD1-CD1 4.33Å; L443-L449 HydrophobicContact CD2-CD1 3.84Å; L443-L449 HydrophobicContact CD2-CD2 4.44Å; L443-L449 HydrophobicContact CD2-CG 4.06Å; L443-L449 HydrophobicContact CG-CD1 4.06Å; L443-L449 HydrophobicContact CG-CD2 4.34Å; L443-L449 HydrophobicContact CG-CG 4.42Å; I447-L449 PolarHBondContact O-N 2.8Å; I447-L449 VanDerWaalsContact O-N 3.14Å; L449-K451 VanDerWaalsContact C-N 3.29Å; L449-K451 PolarHBondContact O-N 2.71Å; L449-I452 CarbonylContact O-C 3.54Å; L449-I452 PolarHBondContact O-N 2.75Å; L449-K453 WeakPolarHBondContact O-CA 3.39Å; L449-K453 PolarHBondContact O-N 3.31Å; L449-I456 HydrophobicContact CD2-CD1 3.88Å
450	E	89.1	Confident	92.7	Very high	139 Å²	139	62.5 Å²	62.5	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-35.1	-177.6	-170.5	59.7	-158.2	0	0	110.9	D448 I452 K453	D448-E450 PolarHBondContact O-N 3.24Å; D448-E450 PolarHBondContact OD1-N 3.32Å; E450-I452 VanDerWaalsContact C-N 3.32Å; E450-I452 PolarHBondContact O-N 3.27Å; E450-K453 WeakPolarHBondContact O-CB 3.33Å; E450-K453 PolarHBondContact O-N 3.2Å
451	K	84.7	Confident	92.6	Very high	131 Å²	131	66.6 Å²	66.6	57%	0.57	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.1	177.7	-70.5	-179.8	-175.5	122.1	0	113.6	A226 D448 L449	A226-K451 HydrophobicContact CB-CB 3.82Å; A226-K451 HydrophobicContact CB-CG 4.25Å; D448-K451 HydrophobicContact CB-CD 4.08Å; D448-K451 HydrophobicContact CB-CG 4.32Å; D448-K451 PolarHBondContact O-N 3.44Å; D448-K451 WeakPolarHBondContact OD2-CD 3.46Å; D448-K451 WeakPolarHBondContact OD2-CE 3.4Å; D448-K451 IonicContact OD2-NZ 3.9Å; D448-K451 PolarHBondContact OD2-NZ 3.35Å; L449-K451 VanDerWaalsContact C-N 3.29Å; L449-K451 PolarHBondContact O-N 2.71Å
452	I	86.6	Confident	92.6	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.041	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	13	179.2	60.2	163.5	0	0	0	112.9	F401 A442 I447 L449 E450 A454 Y455 I456	F401-I452 HydrophobicContact CE2-CD1 3.86Å; F401-I452 HydrophobicContact CZ-CD1 3.98Å; A442-I452 HydrophobicContact CB-CD1 4.09Å; I447-I452 HydrophobicContact CG2-CD1 3.77Å; I447-I452 HydrophobicContact CG2-CG1 4.22Å; L449-I452 CarbonylContact O-C 3.54Å; L449-I452 PolarHBondContact O-N 2.75Å; E450-I452 VanDerWaalsContact C-N 3.32Å; E450-I452 PolarHBondContact O-N 3.27Å; I452-A454 VanDerWaalsContact C-N 3.34Å; I452-A454 PolarHBondContact O-N 3.43Å; I452-Y455 WeakPolarHBondContact O-CA 3.26Å; I452-Y455 WeakPolarHBondContact O-CB 3.18Å; I452-Y455 PolarHBondContact O-N 3.08Å; I452-I456 HydrophobicContact CD1-CD1 3.78Å; I452-I456 HydrophobicContact CD1-CG1 4.15Å; I452-I456 HydrophobicContact CG1-CD1 3.93Å; I452-I456 HydrophobicContact CG1-CG1 4.34Å; I452-I456 PolarHBondContact O-N 3.32Å
453	K	91.6	Very high	92.8	Very high	95 Å²	95	69.3 Å²	69.3	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-54.3	-47.1	-175	-177.2	-179.1	-176.7	-58.1	0	112.7	L449 E450 Y455 I456 D457	L449-K453 WeakPolarHBondContact O-CA 3.39Å; L449-K453 PolarHBondContact O-N 3.31Å; E450-K453 WeakPolarHBondContact O-CB 3.33Å; E450-K453 PolarHBondContact O-N 3.2Å; K453-Y455 PolarHBondContact O-N 2.66Å; K453-I456 PolarHBondContact O-N 3.28Å; K453-D457 IonicContact NZ-OD2 2.71Å; K453-D457 PolarHBondContact NZ-OD2 2.98Å; K453-D457 WeakPolarHBondContact O-CB 3.38Å; K453-D457 PolarHBondContact O-N 3.02Å
454	A	91.3	Very high	93	Very high	73 Å²	73	66.4 Å²	66.4	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-62.9	-29.6	179.1	0	0	0	0	0	113.3	I452 S458	I452-A454 VanDerWaalsContact C-N 3.34Å; I452-A454 PolarHBondContact O-N 3.43Å; A454-S458 PolarHBondContact O-N 3.48Å
455	Y	93.6	Very high	93.3	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.027	34%	0.342	C	S	.	.	H	α-helix	trans	-74.1	-50.6	174.3	165.8	-103.2	0	0	0	110.6	L252 Q255 M256 F401 L438 I452 K453 D457 S458 F459	L252-Y455 HydrophobicContact CB-CD2 3.84Å; L252-Y455 HydrophobicContact CB-CE2 4.17Å; L252-Y455 HydrophobicContact CB-CG 4.48Å; L252-Y455 HydrophobicContact CD2-CD1 4.03Å; L252-Y455 HydrophobicContact CD2-CD2 3.67Å; L252-Y455 HydrophobicContact CD2-CE1 3.94Å; L252-Y455 HydrophobicContact CD2-CE2 3.55Å; L252-Y455 HydrophobicContact CD2-CG 3.88Å; L252-Y455 HydrophobicContact CG-CD2 4.25Å; L252-Y455 HydrophobicContact CG-CE2 4.45Å; Q255-Y455 HydrophobicContact CB-CE2 4.23Å; Q255-Y455 VanDerWaalsContact CD-OH 3.3Å; Q255-Y455 PolarHBondContact NE2-OH 3.42Å; Q255-Y455 PolarHBondContact OE1-OH 3.36Å; M256-Y455 HydrophobicContact CG-CD2 4.36Å; F401-Y455 HydrophobicContact CE2-CE1 4.17Å; F401-Y455 HydrophobicContact CZ-CE1 4.07Å; L438-Y455 HydrophobicContact CD1-CE1 4.25Å; L438-Y455 HydrophobicContact CD2-CD1 4.4Å; L438-Y455 HydrophobicContact CD2-CE1 3.84Å; I452-Y455 WeakPolarHBondContact O-CA 3.26Å; I452-Y455 WeakPolarHBondContact O-CB 3.18Å; I452-Y455 PolarHBondContact O-N 3.08Å; K453-Y455 PolarHBondContact O-N 2.66Å; Y455-D457 VanDerWaalsContact C-N 3.28Å; Y455-D457 PolarHBondContact O-N 3.26Å; Y455-S458 WeakPolarHBondContact O-CB 3.3Å; Y455-S458 PolarHBondContact O-N 2.94Å; Y455-S458 VanDerWaalsContact O-N 3.08Å; Y455-S458 PolarHBondContact O-OG 3.29Å; Y455-F459 HydrophobicContact CD1-CE2 4.08Å; Y455-F459 AromaticContact CD2-CE2 3.78Å; Y455-F459 HydrophobicContact CD2-CE2 3.78Å; Y455-F459 HydrophobicContact CD2-CZ 4.16Å; Y455-F459 AromaticContact CE1-CE2 3.83Å; Y455-F459 HydrophobicContact CE1-CE2 3.83Å; Y455-F459 HydrophobicContact CE1-CZ 4.32Å; Y455-F459 AromaticContact CE2-CE2 3.52Å; Y455-F459 HydrophobicContact CE2-CE2 3.52Å; Y455-F459 AromaticContact CE2-CZ 3.5Å; Y455-F459 HydrophobicContact CE2-CZ 3.5Å; Y455-F459 HydrophobicContact CG-CE2 4.07Å; Y455-F459 AromaticContact CZ-CE2 3.55Å; Y455-F459 AromaticContact CZ-CZ 3.6Å; Y455-F459 WeakPolarHBondContact O-CD2 3.4Å; Y455-F459 WeakPolarHBondContact O-CE2 3.26Å
456	I	95.6	Very high	93.6	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-41.4	176.5	-62.4	173.7	0	0	0	111.3	P435 L438 L449 I452 K453 S458 F459	P435-I456 HydrophobicContact CB-CG2 4.39Å; L438-I456 HydrophobicContact CD2-CG1 4.2Å; L449-I456 HydrophobicContact CD2-CD1 3.88Å; I452-I456 HydrophobicContact CD1-CD1 3.78Å; I452-I456 HydrophobicContact CD1-CG1 4.15Å; I452-I456 HydrophobicContact CG1-CD1 3.93Å; I452-I456 HydrophobicContact CG1-CG1 4.34Å; I452-I456 PolarHBondContact O-N 3.32Å; K453-I456 PolarHBondContact O-N 3.28Å; I456-S458 PolarHBondContact O-N 2.7Å; I456-F459 PolarHBondContact O-N 2.98Å
457	D	97.4	Very high	94	Very high	38 Å²	38	55 Å²	55	20%	0.203	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-25.6	179.7	-72.4	-17.4	0	0	0	112.9	K453 Y455 F459 R460	K453-D457 IonicContact NZ-OD2 2.71Å; K453-D457 PolarHBondContact NZ-OD2 2.98Å; K453-D457 WeakPolarHBondContact O-CB 3.38Å; K453-D457 PolarHBondContact O-N 3.02Å; Y455-D457 VanDerWaalsContact C-N 3.28Å; Y455-D457 PolarHBondContact O-N 3.26Å; D457-F459 PolarHBondContact O-N 3.08Å; D457-R460 WeakPolarHBondContact O-CB 3.19Å; D457-R460 PolarHBondContact O-N 2.73Å; D457-R460 IonicContact OD1-CZ 2.64Å; D457-R460 IonicContact OD1-NE 3.92Å; D457-R460 PolarHBondContact OD1-NE 2.96Å; D457-R460 IonicContact OD1-NH2 2.65Å; D457-R460 PolarHBondContact OD1-NH2 2.83Å
458	S	97.6	Very high	94.6	Very high	28 Å²	28	53.9 Å²	53.9	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-24.7	176.4	76.4	0	0	0	0	113.6	A454 Y455 I456	A454-S458 PolarHBondContact O-N 3.48Å; Y455-S458 WeakPolarHBondContact O-CB 3.3Å; Y455-S458 PolarHBondContact O-N 2.94Å; Y455-S458 VanDerWaalsContact O-N 3.08Å; Y455-S458 PolarHBondContact O-OG 3.29Å; I456-S458 PolarHBondContact O-N 2.7Å
459	F	98.3	Very high	95.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.018	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-84.5	-8.9	179.7	-58.3	-86.1	0	0	0	113.8	Q255 P435 L438 Y455 I456 D457 F461 A463 H466	Q255-F459 HydrophobicContact CB-CZ 4.2Å; P435-F459 HydrophobicContact CB-CB 4.24Å; L438-F459 HydrophobicContact CD2-CD2 3.52Å; L438-F459 HydrophobicContact CD2-CE2 3.52Å; L438-F459 HydrophobicContact CD2-CG 4.26Å; L438-F459 HydrophobicContact CD2-CZ 4.25Å; Y455-F459 HydrophobicContact CD1-CE2 4.08Å; Y455-F459 AromaticContact CD2-CE2 3.78Å; Y455-F459 HydrophobicContact CD2-CE2 3.78Å; Y455-F459 HydrophobicContact CD2-CZ 4.16Å; Y455-F459 AromaticContact CE1-CE2 3.83Å; Y455-F459 HydrophobicContact CE1-CE2 3.83Å; Y455-F459 HydrophobicContact CE1-CZ 4.32Å; Y455-F459 AromaticContact CE2-CE2 3.52Å; Y455-F459 HydrophobicContact CE2-CE2 3.52Å; Y455-F459 AromaticContact CE2-CZ 3.5Å; Y455-F459 HydrophobicContact CE2-CZ 3.5Å; Y455-F459 HydrophobicContact CG-CE2 4.07Å; Y455-F459 AromaticContact CZ-CE2 3.55Å; Y455-F459 AromaticContact CZ-CZ 3.6Å; Y455-F459 WeakPolarHBondContact O-CD2 3.4Å; Y455-F459 WeakPolarHBondContact O-CE2 3.26Å; I456-F459 PolarHBondContact O-N 2.98Å; D457-F459 PolarHBondContact O-N 3.08Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 PolarHBondContact O-N 3.47Å; F459-A463 HydrophobicContact CB-CB 4.11Å; F459-A463 HydrophobicContact CD1-CB 3.69Å; F459-A463 HydrophobicContact CG-CB 4.36Å; F459-H466 AromaticContact CE1-CE1 3.76Å
460	R	98.1	Very high	95.4	Very high	129 Å²	129	49.1 Å²	49.1	49%	0.487	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-73.2	-18.8	-171.6	-66	-173.6	-172.3	-70.2	-6	115.2	P435 D457	P435-R460 HydrophobicContact CB-CG 4.21Å; P435-R460 HydrophobicContact CG-CG 4.33Å; D457-R460 WeakPolarHBondContact O-CB 3.19Å; D457-R460 PolarHBondContact O-N 2.73Å; D457-R460 IonicContact OD1-CZ 2.64Å; D457-R460 IonicContact OD1-NE 3.92Å; D457-R460 PolarHBondContact OD1-NE 2.96Å; D457-R460 IonicContact OD1-NH2 2.65Å; D457-R460 PolarHBondContact OD1-NH2 2.83Å
461	F	97.1	Very high	95.8	Very high	187 Å²	187	42.7 Å²	42.7	82%	0.82	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-110.9	30.2	-168.9	-55.4	-66.2	0	0	0	113.3	F459	F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 PolarHBondContact O-N 3.47Å
462	G	95.6	Very high	96.4	Very high	65 Å²	65	37 Å²	37	67%	0.67	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.2	66	177.1	0	0	0	0	0	113.1
463	A	98	Very high	97	Very high	16 Å²	16	37 Å²	37	13%	0.132	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-78.5	128.6	173.1	0	0	0	0	0	111.8	H433 F459	H433-A463 HydrophobicContact CB-CB 4.02Å; F459-A463 HydrophobicContact CB-CB 4.11Å; F459-A463 HydrophobicContact CD1-CB 3.69Å; F459-A463 HydrophobicContact CG-CB 4.36Å
464	P	98.6	Very high	97.3	Very high	43 Å²	43	33 Å²	33	28%	0.279	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-73.5	157.7	174.5	32.3	-35.6	0	0	0	111.1	I258 A294 H433 H466	I258-P464 HydrophobicContact CG2-CG 3.64Å; A294-P464 HydrophobicContact CB-CB 4.33Å; A294-P464 HydrophobicContact CB-CG 4.17Å; H433-P464 WeakPolarHBondContact CB-O 3.11Å; P464-H466 PolarHBondContact O-N 3.02Å; P464-H466 PolarHBondContact O-ND1 2.87Å
465	P	98.8	Very high	97.7	Very high	38 Å²	38	31.2 Å²	31.2	25%	0.247	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-64.9	130.6	169.1	28.5	-33.7	0	0	0	110.3	A294 F295	A294-P465 WeakPolarHBondContact CA-O 3.37Å; F295-P465 HydrophobicContact CE1-CB 4.25Å; F295-P465 HydrophobicContact CE2-CB 3.94Å; F295-P465 HydrophobicContact CE2-CG 4.46Å; F295-P465 HydrophobicContact CZ-CB 3.8Å; F295-P465 PolarHBondContact N-O 2.97Å
466	H	98.9	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.6	-175	58.6	-80.3	0	0	0	112.4	Q255 I258 E292 M293 F295 R431 F459 P464	Q255-H466 PolarHBondContact OE1-NE2 3.22Å; I258-H466 HydrophobicContact CG1-CB 4.39Å; I258-H466 HydrophobicContact CG2-CB 3.81Å; E292-H466 IonicContact OE1-CD2 3.72Å; M293-H466 VanDerWaalsContact O-CA 3.27Å; M293-H466 WeakPolarHBondContact O-CA 3.48Å; M293-H466 VanDerWaalsContact O-CB 3.3Å; M293-H466 WeakPolarHBondContact O-CB 3.37Å; F295-H466 VanDerWaalsContact CE1-C 3.47Å; R431-H466 WeakPolarHBondContact CB-NE2 3.35Å; R431-H466 PolarHBondContact N-O 3.17Å; F459-H466 AromaticContact CE1-CE1 3.76Å; P464-H466 PolarHBondContact O-N 3.02Å; P464-H466 PolarHBondContact O-ND1 2.87Å
467	A	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	169.8	178.6	0	0	0	0	0	110	E292 M293 F295 V302 A429 Q430	E292-A467 CarbonylContact C-O 3.59Å; E292-A467 WeakPolarHBondContact CA-O 3.26Å; M293-A467 PolarHBondContact N-O 2.91Å; M293-A467 PolarHBondContact O-N 3.33Å; F295-A467 HydrophobicContact CD1-CB 4.15Å; F295-A467 HydrophobicContact CE1-CB 4.05Å; V302-A467 HydrophobicContact CB-CB 3.89Å; V302-A467 HydrophobicContact CG1-CB 4.12Å; V302-A467 HydrophobicContact CG2-CB 3.91Å; A429-A467 WeakPolarHBondContact O-CA 3.31Å; A429-A467 WeakPolarHBondContact O-CB 3.06Å; Q430-A467 HydrophobicContact CB-CB 4.4Å
468	G	98.6	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	-173.7	175.9	0	0	0	0	0	112.7	I291 E292 Y416 G428 A429 R431	I291-G468 VanDerWaalsContact O-CA 3.3Å; I291-G468 WeakPolarHBondContact O-CA 3.45Å; E292-G468 PolarHBondContact OE1-N 3.22Å; Y416-G468 PolarHBondContact OH-O 3.02Å; G428-G468 CarbonylContact C-O 3.57Å; G428-G468 WeakPolarHBondContact CA-O 3.46Å; A429-G468 PolarHBondContact N-O 3.25Å; A429-G468 PolarHBondContact O-N 2.79Å; A429-G468 VanDerWaalsContact O-N 3.11Å; R431-G468 PolarHBondContact NH2-O 3.43Å
469	G	98	Very high	98.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.4	178.2	0	0	0	0	0	111.7	K254 I291 S427	K254-G469 PolarHBondContact NZ-O 3.05Å; K254-G469 VanDerWaalsContact NZ-O 3.13Å; I291-G469 PolarHBondContact N-O 2.83Å; I291-G469 PolarHBondContact O-N 3.01Å; I291-G469 VanDerWaalsContact O-N 3.09Å; I291-G469 VanDerWaalsContact O-O 3.13Å; S427-G469 WeakPolarHBondContact O-CA 3.16Å
470	G	96.9	Very high	98.2	Very high	24 Å²	24	28.2 Å²	28.2	25%	0.247	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.6	173.2	0	0	0	0	0	110.3	L426 S427	L426-G470 WeakPolarHBondContact CA-O 3.25Å; S427-G470 PolarHBondContact O-N 3.42Å
471	I	98	Very high	98.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.1	-174.9	-58.4	158.9	0	0	0	109.9	F206 G288 L289 M310 I425 L426 L473 V476	F206-I471 HydrophobicContact CD2-CD1 4.41Å; F206-I471 HydrophobicContact CE2-CD1 3.89Å; G288-I471 CarbonylContact C-O 3.52Å; G288-I471 WeakPolarHBondContact CA-O 3.31Å; L289-I471 HydrophobicContact CB-CB 4.13Å; L289-I471 HydrophobicContact CD1-CG2 4.3Å; L289-I471 HydrophobicContact CG-CB 4.48Å; L289-I471 PolarHBondContact N-O 2.68Å; L289-I471 WeakPolarHBondContact O-CB 3.35Å; L289-I471 PolarHBondContact O-N 2.84Å; M310-I471 HydrophobicContact SD-CD1 3.77Å; I425-I471 WeakPolarHBondContact O-CA 3.41Å; L426-I471 HydrophobicContact CB-CG1 4.12Å; L426-I471 HydrophobicContact CD1-CD1 4.19Å; L426-I471 HydrophobicContact CD1-CG1 3.65Å; L426-I471 HydrophobicContact CG-CG1 4.23Å; I471-L473 PolarHBondContact O-N 2.74Å; I471-V476 HydrophobicContact CG2-CG2 3.33Å
472	G	97.8	Very high	98.2	Very high	12 Å²	12	14.6 Å²	14.6	12%	0.124	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	110.6	170.4	0	0	0	0	0	112.1	I425 E474 R475 V476	I425-G472 PolarHBondContact O-N 3.06Å; G472-E474 PolarHBondContact O-N 3.4Å; G472-R475 PolarHBondContact O-N 3.28Å; G472-R475 VanDerWaalsContact O-N 3.13Å; G472-V476 PolarHBondContact O-N 2.79Å
473	L	98.7	Very high	98.3	Very high	7 Å²	7	11.9 Å²	11.9	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-55.6	-49	-177.5	174.3	63.1	0	0	0	112.5	Q199 I202 C203 V287 L289 I471 R475 V476 T477	Q199-L473 HydrophobicContact CG-CD1 3.84Å; Q199-L473 HydrophobicContact CG-CD2 3.77Å; Q199-L473 HydrophobicContact CG-CG 3.76Å; I202-L473 HydrophobicContact CB-CD1 4Å; I202-L473 HydrophobicContact CG2-CD1 3.64Å; C203-L473 VanDerWaalsContact SG-CD1 3.53Å; C203-L473 WeakPolarHBondContact SG-CD2 3.48Å; V287-L473 HydrophobicContact CB-CB 4.01Å; V287-L473 HydrophobicContact CB-CD2 3.81Å; V287-L473 HydrophobicContact CG1-CB 4.28Å; V287-L473 HydrophobicContact CG1-CD2 3.83Å; V287-L473 HydrophobicContact CG2-CD2 4.38Å; V287-L473 VanDerWaalsContact O-CB 3.27Å; V287-L473 WeakPolarHBondContact O-CB 3.24Å; V287-L473 PolarHBondContact O-N 2.77Å; L289-L473 HydrophobicContact CD1-CD1 4.16Å; L289-L473 HydrophobicContact CD2-CB 4.16Å; L289-L473 HydrophobicContact CD2-CD1 4.28Å; L289-L473 HydrophobicContact CG-CB 4.29Å; I471-L473 PolarHBondContact O-N 2.74Å; L473-R475 VanDerWaalsContact C-N 3.26Å; L473-R475 PolarHBondContact O-N 3.21Å; L473-V476 PolarHBondContact O-N 2.99Å; L473-T477 WeakPolarHBondContact O-CB 3.46Å; L473-T477 PolarHBondContact O-N 2.68Å; L473-T477 PolarHBondContact O-OG1 3.33Å
474	E	98.7	Very high	98	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-35	-178.8	-64.3	89.6	155.8	0	0	111.3	L283 F286 V287 G472 M478 V486 T489	L283-E474 HydrophobicContact CD1-CB 4.49Å; L283-E474 HydrophobicContact CD1-CG 4.33Å; F286-E474 WeakPolarHBondContact CA-OE1 3.38Å; V287-E474 PolarHBondContact N-OE1 2.98Å; V287-E474 VanDerWaalsContact N-OE1 3.08Å; V287-E474 PolarHBondContact N-OE2 2.74Å; G472-E474 PolarHBondContact O-N 3.4Å; E474-M478 VanDerWaalsContact O-CB 3.23Å; E474-M478 WeakPolarHBondContact O-CB 3.5Å; E474-M478 PolarHBondContact O-N 2.85Å; E474-V486 HydrophobicContact CB-CG2 3.6Å; E474-T489 WeakPolarHBondContact O-CB 3.3Å; E474-T489 PolarHBondContact O-OG1 3.3Å
475	R	97.7	Very high	97.9	Very high	37 Å²	37	16.7 Å²	16.7	14%	0.14	10%	0.095	C	C	.	.	H	α-helix	trans	-74.7	-42.2	-179.1	-164.8	159.1	168.3	169.3	-16	111.8	E424 I425 G472 L473 M478 L479	E424-R475 PolarHBondContact O-NE 3.48Å; E424-R475 PolarHBondContact O-NH2 2.99Å; I425-R475 HydrophobicContact CG2-CG 4.46Å; G472-R475 PolarHBondContact O-N 3.28Å; G472-R475 VanDerWaalsContact O-N 3.13Å; L473-R475 VanDerWaalsContact C-N 3.26Å; L473-R475 PolarHBondContact O-N 3.21Å; R475-M478 HydrophobicContact CG-CE 4.33Å; R475-M478 PolarHBondContact O-N 3.29Å; R475-L479 HydrophobicContact CG-CD1 3.86Å; R475-L479 WeakPolarHBondContact O-CB 3.35Å; R475-L479 WeakPolarHBondContact O-CG 3.32Å; R475-L479 PolarHBondContact O-N 3.44Å
476	V	98.7	Very high	97.8	Very high	1 Å²	1	15 Å²	15	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-46.6	169.1	172.7	0	0	0	0	111.1	I202 M310 M420 I425 I471 G472 L473 M478 L479 F480	I202-V476 HydrophobicContact CD1-CG1 4.12Å; M310-V476 HydrophobicContact CE-CG1 4.13Å; M310-V476 HydrophobicContact CE-CG2 4.18Å; M420-V476 HydrophobicContact CE-CG1 4.36Å; M420-V476 HydrophobicContact SD-CB 4.29Å; M420-V476 HydrophobicContact SD-CG1 3.97Å; M420-V476 HydrophobicContact SD-CG2 4.13Å; I425-V476 HydrophobicContact CB-CG2 4.01Å; I425-V476 HydrophobicContact CD1-CG2 3.94Å; I425-V476 HydrophobicContact CG2-CG2 4.17Å; I471-V476 HydrophobicContact CG2-CG2 3.33Å; G472-V476 PolarHBondContact O-N 2.79Å; L473-V476 PolarHBondContact O-N 2.99Å; V476-M478 VanDerWaalsContact C-N 3.28Å; V476-M478 PolarHBondContact O-N 3.2Å; V476-L479 PolarHBondContact O-N 2.84Å; V476-F480 VanDerWaalsContact O-CB 3.26Å; V476-F480 WeakPolarHBondContact O-CB 3.35Å; V476-F480 PolarHBondContact O-N 3.31Å
477	T	98.8	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-42.4	177.4	-49.2	0	0	0	0	111.1	V195 L198 Q199 I202 L473 L481 T489	V195-T477 HydrophobicContact CG1-CG2 4.23Å; L198-T477 HydrophobicContact CD2-CG2 4.2Å; Q199-T477 HydrophobicContact CB-CG2 4.05Å; Q199-T477 PolarHBondContact NE2-OG1 3.02Å; Q199-T477 VanDerWaalsContact NE2-OG1 3.14Å; I202-T477 HydrophobicContact CD1-CG2 4.4Å; I202-T477 WeakPolarHBondContact CD1-OG1 3.38Å; L473-T477 WeakPolarHBondContact O-CB 3.46Å; L473-T477 PolarHBondContact O-N 2.68Å; L473-T477 PolarHBondContact O-OG1 3.33Å; T477-L481 HydrophobicContact CG2-CD1 4.31Å; T477-L481 WeakPolarHBondContact O-CB 3.41Å; T477-L481 PolarHBondContact O-N 3.38Å; T477-T489 HydrophobicContact CG2-CG2 3.62Å
478	M	98.7	Very high	97.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-51.9	-178.8	179.3	-175.7	79.8	0	0	111	E474 R475 V476 L481 G482 L483 N485 V486 T489	E474-M478 VanDerWaalsContact O-CB 3.23Å; E474-M478 WeakPolarHBondContact O-CB 3.5Å; E474-M478 PolarHBondContact O-N 2.85Å; R475-M478 HydrophobicContact CG-CE 4.33Å; R475-M478 PolarHBondContact O-N 3.29Å; V476-M478 VanDerWaalsContact C-N 3.28Å; V476-M478 PolarHBondContact O-N 3.2Å; M478-L481 CarbonylContact O-C 3.58Å; M478-L481 PolarHBondContact O-N 2.92Å; M478-G482 PolarHBondContact O-N 2.95Å; M478-L483 HydrophobicContact CG-CB 4.04Å; M478-L483 WeakPolarHBondContact CG-O 3.27Å; M478-L483 PolarHBondContact O-N 2.84Å; M478-N485 VanDerWaalsContact SD-C 3.58Å; M478-V486 HydrophobicContact SD-CB 3.94Å; M478-V486 PolarHBondContact SD-N 3.1Å; M478-T489 HydrophobicContact CB-CG2 4.11Å
479	L	98.5	Very high	97.7	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-75.4	-33.5	-172.8	-64.4	163.7	0	0	0	112.5	M420 R421 E423 I425 R475 V476 L481 G482	M420-L479 HydrophobicContact CB-CB 3.74Å; M420-L479 HydrophobicContact CB-CD1 4.05Å; M420-L479 HydrophobicContact CB-CG 4.5Å; M420-L479 HydrophobicContact CE-CB 4.43Å; R421-L479 WeakPolarHBondContact CD-O 3.49Å; R421-L479 PolarHBondContact NE-O 3.47Å; E423-L479 HydrophobicContact CB-CD1 3.84Å; E423-L479 HydrophobicContact CB-CD2 3.95Å; E423-L479 HydrophobicContact CG-CD2 3.92Å; I425-L479 HydrophobicContact CG2-CD1 3.5Å; I425-L479 VanDerWaalsContact CG2-CD1 3.5Å; R475-L479 HydrophobicContact CG-CD1 3.86Å; R475-L479 WeakPolarHBondContact O-CB 3.35Å; R475-L479 WeakPolarHBondContact O-CG 3.32Å; R475-L479 PolarHBondContact O-N 3.44Å; V476-L479 PolarHBondContact O-N 2.84Å; L479-L481 VanDerWaalsContact C-N 3.33Å; L479-L481 PolarHBondContact O-N 2.9Å; L479-G482 PolarHBondContact O-N 3.01Å
480	F	98.8	Very high	97.7	Very high	12 Å²	12	17.5 Å²	17.5	5%	0.053	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-47.1	171.2	-173.5	-98.7	0	0	0	111.3	L198 F314 L317 Q318 I325 F337 M420 V476	L198-F480 HydrophobicContact CD1-CD1 4.34Å; L198-F480 HydrophobicContact CD1-CE1 4.19Å; L198-F480 HydrophobicContact CD2-CD1 4.26Å; F314-F480 HydrophobicContact CB-CE2 4.38Å; F314-F480 AromaticContact CD1-CD2 3.87Å; F314-F480 HydrophobicContact CD1-CD2 3.87Å; F314-F480 AromaticContact CD1-CE2 3.99Å; F314-F480 HydrophobicContact CD1-CE2 3.99Å; F314-F480 HydrophobicContact CE1-CD2 4.35Å; L317-F480 HydrophobicContact CB-CE1 4.04Å; L317-F480 HydrophobicContact CB-CE2 4.35Å; L317-F480 HydrophobicContact CB-CZ 3.67Å; L317-F480 HydrophobicContact CD1-CD1 3.89Å; L317-F480 HydrophobicContact CD1-CD2 4.12Å; L317-F480 HydrophobicContact CD1-CE1 3.7Å; L317-F480 HydrophobicContact CD1-CE2 3.94Å; L317-F480 HydrophobicContact CD1-CG 4.1Å; L317-F480 HydrophobicContact CD1-CZ 3.72Å; L317-F480 HydrophobicContact CG-CZ 4.39Å; Q318-F480 HydrophobicContact CG-CZ 4.26Å; I325-F480 HydrophobicContact CD1-CE1 3.89Å; I325-F480 HydrophobicContact CD1-CZ 4.23Å; I325-F480 HydrophobicContact CG1-CE1 4.21Å; F337-F480 HydrophobicContact CB-CD2 3.95Å; F337-F480 HydrophobicContact CB-CE2 3.96Å; F337-F480 HydrophobicContact CD1-CD2 4.08Å; F337-F480 HydrophobicContact CD1-CE2 4.24Å; F337-F480 AromaticContact CG-CD2 3.92Å; F337-F480 HydrophobicContact CG-CD2 3.92Å; F337-F480 HydrophobicContact CG-CE2 4.26Å; M420-F480 HydrophobicContact CE-CB 3.85Å; M420-F480 HydrophobicContact CE-CD2 4.32Å; V476-F480 VanDerWaalsContact O-CB 3.26Å; V476-F480 WeakPolarHBondContact O-CB 3.35Å; V476-F480 PolarHBondContact O-N 3.31Å
481	L	98.4	Very high	97.8	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.063	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.9	-179.6	-70.8	174.6	0	0	0	114.5	V195 L198 V328 T477 M478 L479 L483	V195-L481 HydrophobicContact CG2-CD1 4.05Å; L198-L481 HydrophobicContact CD1-CD1 4.45Å; L198-L481 HydrophobicContact CD1-CD2 3.95Å; L198-L481 HydrophobicContact CD1-CG 4.4Å; L198-L481 HydrophobicContact CD2-CD1 4.25Å; L198-L481 HydrophobicContact CD2-CG 4.43Å; V328-L481 HydrophobicContact CB-CD2 4.16Å; V328-L481 HydrophobicContact CG1-CB 4.48Å; V328-L481 HydrophobicContact CG1-CD1 4.31Å; V328-L481 HydrophobicContact CG1-CD2 4.18Å; V328-L481 HydrophobicContact CG2-CD1 4.24Å; V328-L481 HydrophobicContact CG2-CD2 4.35Å; T477-L481 HydrophobicContact CG2-CD1 4.31Å; T477-L481 WeakPolarHBondContact O-CB 3.41Å; T477-L481 PolarHBondContact O-N 3.38Å; M478-L481 CarbonylContact O-C 3.58Å; M478-L481 PolarHBondContact O-N 2.92Å; L479-L481 VanDerWaalsContact C-N 3.33Å; L479-L481 PolarHBondContact O-N 2.9Å; L481-L483 VanDerWaalsContact C-N 3.25Å; L481-L483 HydrophobicContact CB-CD1 4.08Å; L481-L483 HydrophobicContact CB-CG 3.84Å; L481-L483 HydrophobicContact CD1-CD1 4.14Å; L481-L483 PolarHBondContact O-N 2.93Å
482	G	97.3	Very high	97.8	Very high	17 Å²	17	24.1 Å²	24.1	18%	0.175	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	20.7	-177.2	0	0	0	0	0	115	M478 L479 H484	M478-G482 PolarHBondContact O-N 2.95Å; L479-G482 PolarHBondContact O-N 3.01Å; G482-H484 PolarHBondContact O-CE1 3.46Å; G482-H484 PolarHBondContact O-ND1 3.4Å
483	L	96.8	Very high	97.8	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.042	12%	0.116	C	C	.	.			trans	-72.1	149.6	-180	-60.4	175.8	0	0	0	111	V195 V328 F332 M478 L481 Q488 T489	V195-L483 HydrophobicContact CG2-CD1 4.15Å; V328-L483 HydrophobicContact CG1-CD2 4.14Å; F332-L483 HydrophobicContact CB-CD2 3.73Å; F332-L483 HydrophobicContact CD1-CD2 4.27Å; F332-L483 HydrophobicContact CD2-CD2 3.63Å; F332-L483 HydrophobicContact CE2-CD2 4.33Å; F332-L483 HydrophobicContact CG-CD2 3.6Å; M478-L483 HydrophobicContact CG-CB 4.04Å; M478-L483 WeakPolarHBondContact CG-O 3.27Å; M478-L483 PolarHBondContact O-N 2.84Å; L481-L483 VanDerWaalsContact C-N 3.25Å; L481-L483 HydrophobicContact CB-CD1 4.08Å; L481-L483 HydrophobicContact CB-CG 3.84Å; L481-L483 HydrophobicContact CD1-CD1 4.14Å; L481-L483 PolarHBondContact O-N 2.93Å; L483-Q488 HydrophobicContact CD1-CB 4.2Å; L483-T489 HydrophobicContact CD1-CG2 3.65Å
484	H	93.4	Very high	97.7	Very high	137 Å²	137	25.6 Å²	25.6	63%	0.634	12%	0.122	S	C	*	.	S	Bend	trans	-94	-10.5	-169.2	-54.8	-38.1	0	0	0	114.5	H280 G482	H280-H484 PolarHBondContact CD2-O 2.81Å; G482-H484 PolarHBondContact O-CE1 3.46Å; G482-H484 PolarHBondContact O-ND1 3.4Å
485	N	95.6	Very high	97.5	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.123	12%	0.124	C	C	.	.			trans	-147.7	129	-177.9	-170.7	-40	0	0	0	112	Q176 H280 M478 R487 Q488	Q176-N485 PolarHBondContact NE2-ND2 3.36Å; Q176-N485 PolarHBondContact OE1-ND2 3.34Å; H280-N485 HydrophobicContact CB-CB 4.24Å; H280-N485 CarbonylContact O-C 3.52Å; H280-N485 WeakPolarHBondContact O-CA 3.4Å; H280-N485 PolarHBondContact O-OD1 2.97Å; M478-N485 VanDerWaalsContact SD-C 3.58Å; N485-R487 PolarHBondContact O-N 3.15Å; N485-R487 WeakPolarHBondContact OD1-CB 3.44Å; N485-R487 WeakPolarHBondContact OD1-CG 3.46Å; N485-R487 PolarHBondContact OD1-N 2.64Å; N485-R487 PolarHBondContact OD1-NH1 3.4Å; N485-Q488 HydrophobicContact CB-CG 4.49Å; N485-Q488 VanDerWaalsContact O-CB 3.23Å; N485-Q488 WeakPolarHBondContact O-CB 3.46Å; N485-Q488 WeakPolarHBondContact O-CG 3.38Å; N485-Q488 PolarHBondContact O-N 2.97Å; N485-Q488 PolarHBondContact O-OE1 3.08Å
486	V	97.3	Very high	97.3	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.2	-176.4	72.4	0	0	0	0	113.1	H280 L283 E474 M478 Q488 T489 S490	H280-V486 WeakPolarHBondContact O-CG1 3.38Å; H280-V486 PolarHBondContact O-N 3.26Å; L283-V486 HydrophobicContact CD1-CG1 4.16Å; L283-V486 HydrophobicContact CD1-CG2 3.9Å; L283-V486 HydrophobicContact CD2-CG1 3.86Å; L283-V486 HydrophobicContact CG-CG1 3.67Å; L283-V486 HydrophobicContact CG-CG2 4.26Å; E474-V486 HydrophobicContact CB-CG2 3.6Å; M478-V486 HydrophobicContact SD-CB 3.94Å; M478-V486 PolarHBondContact SD-N 3.1Å; V486-Q488 PolarHBondContact O-N 2.99Å; V486-T489 CarbonylContact O-C 3.49Å; V486-T489 PolarHBondContact O-N 2.83Å; V486-T489 PolarHBondContact O-OG1 2.9Å; V486-T489 VanDerWaalsContact O-OG1 3.05Å; V486-S490 PolarHBondContact O-N 3.41Å
487	R	97.4	Very high	97.1	Very high	13 Å²	13	34.5 Å²	34.5	5%	0.049	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.2	172.6	-63.1	171.9	-177.9	73.1	-1.8	113.1	L180 R183 N278 T279 L283 N485 T489 P493 D495	L180-R487 HydrophobicContact CD1-CB 4.04Å; L180-R487 HydrophobicContact CD1-CG 4.42Å; R183-R487 PolarHBondContact NH2-O 2.98Å; N278-R487 PolarHBondContact OD1-NH2 2.65Å; N278-R487 VanDerWaalsContact OD1-NH2 3.15Å; T279-R487 PolarHBondContact O-NH1 3.39Å; L283-R487 HydrophobicContact CD2-CG 4.14Å; N485-R487 PolarHBondContact O-N 3.15Å; N485-R487 WeakPolarHBondContact OD1-CB 3.44Å; N485-R487 WeakPolarHBondContact OD1-CG 3.46Å; N485-R487 PolarHBondContact OD1-N 2.64Å; N485-R487 PolarHBondContact OD1-NH1 3.4Å; R487-T489 VanDerWaalsContact C-N 3.29Å; R487-P493 HydrophobicContact CB-CB 4.18Å; R487-P493 HydrophobicContact CB-CG 4.19Å; R487-P493 HydrophobicContact CG-CB 3.89Å; R487-P493 HydrophobicContact CG-CG 4.27Å; R487-D495 IonicContact CZ-OD2 2.81Å; R487-D495 IonicContact NE-OD2 3.23Å; R487-D495 PolarHBondContact NE-OD2 3.32Å; R487-D495 VanDerWaalsContact NH2-CG 3.35Å; R487-D495 IonicContact NH2-OD2 2.8Å; R487-D495 PolarHBondContact NH2-OD2 3.21Å
488	Q	97.6	Very high	96.9	Very high	32 Å²	32	35.6 Å²	35.6	15%	0.15	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-70.1	-31	171.4	-61.5	173.8	-90.1	0	0	111.1	L483 N485 V486	L483-Q488 HydrophobicContact CD1-CB 4.2Å; N485-Q488 HydrophobicContact CB-CG 4.49Å; N485-Q488 VanDerWaalsContact O-CB 3.23Å; N485-Q488 WeakPolarHBondContact O-CB 3.46Å; N485-Q488 WeakPolarHBondContact O-CG 3.38Å; N485-Q488 PolarHBondContact O-N 2.97Å; N485-Q488 PolarHBondContact O-OE1 3.08Å; V486-Q488 PolarHBondContact O-N 2.99Å
489	T	98.4	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-3.6	-176.6	54.6	0	0	0	0	114.6	V195 F196 Q199 E474 T477 M478 L483 V486 R487	V195-T489 HydrophobicContact CG1-CG2 3.92Å; F196-T489 WeakPolarHBondContact CE1-O 3.24Å; Q199-T489 PolarHBondContact NE2-O 2.71Å; Q199-T489 PolarHBondContact OE1-O 2.92Å; E474-T489 WeakPolarHBondContact O-CB 3.3Å; E474-T489 PolarHBondContact O-OG1 3.3Å; T477-T489 HydrophobicContact CG2-CG2 3.62Å; M478-T489 HydrophobicContact CB-CG2 4.11Å; L483-T489 HydrophobicContact CD1-CG2 3.65Å; V486-T489 CarbonylContact O-C 3.49Å; V486-T489 PolarHBondContact O-N 2.83Å; V486-T489 PolarHBondContact O-OG1 2.9Å; V486-T489 VanDerWaalsContact O-OG1 3.05Å; R487-T489 VanDerWaalsContact C-N 3.29Å
490	S	98.4	Very high	96.3	Very high	8 Å²	8	46.6 Å²	46.6	6%	0.056	23%	0.234	C	C	.	.	S	Bend	trans	-93.1	126.8	163.3	-175.6	0	0	0	0	110.6	R183 V486 F492 P493	R183-S490 PolarHBondContact NH2-O 2.65Å; V486-S490 PolarHBondContact O-N 3.41Å; S490-F492 PolarHBondContact O-N 3.24Å; S490-P493 WeakPolarHBondContact OG-CA 3.38Å
491	M	98.2	Very high	95.1	Very high	80 Å²	80	49.8 Å²	49.8	39%	0.394	26%	0.256	S	S	.	.	S	Bend	trans	-64.8	-41.7	-173.2	-168.8	175	-70.9	0	0	112.6	R183 L187 F196	R183-M491 VanDerWaalsContact CG-O 3.28Å; R183-M491 WeakPolarHBondContact CG-O 3.34Å; R183-M491 PolarHBondContact NE-O 3.21Å; L187-M491 HydrophobicContact CD1-CG 3.7Å; L187-M491 HydrophobicContact CD1-SD 4.25Å; L187-M491 HydrophobicContact CD2-CG 3.93Å; L187-M491 HydrophobicContact CG-CG 4.49Å; F196-M491 HydrophobicContact CB-CE 3.69Å; F196-M491 HydrophobicContact CD1-CB 4.09Å; F196-M491 HydrophobicContact CD1-CE 3.69Å; F196-M491 HydrophobicContact CD1-CG 4.49Å; F196-M491 HydrophobicContact CD2-CE 4.12Å; F196-M491 HydrophobicContact CE1-CB 3.71Å; F196-M491 HydrophobicContact CE1-CE 4.45Å; F196-M491 HydrophobicContact CE1-CG 4.38Å; F196-M491 HydrophobicContact CG-CE 3.53Å; F196-M491 VanDerWaalsContact CZ-CA 3.46Å; F196-M491 HydrophobicContact CZ-CB 4.03Å; F196-M491 HydrophobicContact CZ-CG 4.43Å
492	F	98.3	Very high	94.9	Very high	87 Å²	87	51.7 Å²	51.7	38%	0.382	27%	0.265	S	S	.	.	S	Bend	trans	-132.3	85.7	173.4	-65.4	-80.5	0	0	0	107.7	R183 L187 S490 P501	R183-F492 HydrophobicContact CB-CD1 4.4Å; R183-F492 HydrophobicContact CB-CE1 4.21Å; R183-F492 HydrophobicContact CG-CD1 4.07Å; R183-F492 HydrophobicContact CG-CE1 4Å; L187-F492 HydrophobicContact CD1-CE1 4.36Å; L187-F492 HydrophobicContact CD1-CE2 4.31Å; L187-F492 HydrophobicContact CD1-CZ 3.86Å; S490-F492 PolarHBondContact O-N 3.24Å; F492-P501 HydrophobicContact CD1-CG 4.46Å
493	P	97.4	Very high	94.8	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.032	27%	0.27	C	S	.	.			trans	-63.4	147.1	-170.1	22.4	-31	0	0	0	112.3	L180 L283 R487 S490	L180-P493 HydrophobicContact CD1-CG 3.96Å; L180-P493 HydrophobicContact CD2-CG 3.67Å; L180-P493 HydrophobicContact CG-CG 4.36Å; L283-P493 HydrophobicContact CD2-CB 4.02Å; R487-P493 HydrophobicContact CB-CB 4.18Å; R487-P493 HydrophobicContact CB-CG 4.19Å; R487-P493 HydrophobicContact CG-CB 3.89Å; R487-P493 HydrophobicContact CG-CG 4.27Å; S490-P493 WeakPolarHBondContact OG-CA 3.38Å
494	R	97.2	Very high	94.6	Very high	44 Å²	44	56 Å²	56	17%	0.166	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-123.3	127.9	170.7	-62.4	-63	176.4	-107.3	9.5	109.2	L283 T284 E285 R498 L499 P501	L283-R494 CarbonylContact C-O 3.56Å; L283-R494 WeakPolarHBondContact CA-O 3.39Å; L283-R494 WeakPolarHBondContact CB-O 3.43Å; L283-R494 WeakPolarHBondContact CD2-O 3.39Å; T284-R494 PolarHBondContact N-O 3.19Å; T284-R494 PolarHBondContact OG1-O 3.28Å; E285-R494 HydrophobicContact CB-CB 4Å; E285-R494 HydrophobicContact CB-CG 4.32Å; R494-R498 WeakPolarHBondContact CA-O 3.35Å; R494-L499 VanDerWaalsContact CZ-O 3.3Å; R494-L499 PolarHBondContact NE-O 3.41Å; R494-L499 PolarHBondContact NH2-O 3.22Å; R494-P501 PolarHBondContact NH1-O 3.42Å; R494-P501 PolarHBondContact NH2-O 2.95Å; R494-P501 PolarHBondContact NH2-OXT 3.31Å
495	D	95.2	Very high	94.7	Very high	14 Å²	14	51.2 Å²	51.2	8%	0.075	26%	0.262	C	S	.	.			trans	-146.9	177.6	178	70.7	43.2	0	0	0	109	T284 R487 K497 R498	T284-D495 WeakPolarHBondContact OG1-CA 3.49Å; T284-D495 PolarHBondContact OG1-N 3.46Å; R487-D495 IonicContact CZ-OD2 2.81Å; R487-D495 IonicContact NE-OD2 3.23Å; R487-D495 PolarHBondContact NE-OD2 3.32Å; R487-D495 VanDerWaalsContact NH2-CG 3.35Å; R487-D495 IonicContact NH2-OD2 2.8Å; R487-D495 PolarHBondContact NH2-OD2 3.21Å; D495-K497 PolarHBondContact O-N 2.99Å; D495-K497 WeakPolarHBondContact OD1-CA 3.18Å; D495-K497 PolarHBondContact OD1-N 3Å; D495-R498 PolarHBondContact N-O 3.14Å; D495-R498 PolarHBondContact O-N 3.47Å; D495-R498 WeakPolarHBondContact OD1-CB 3.49Å; D495-R498 PolarHBondContact OD1-N 2.92Å
496	P	93.4	Very high	94.7	Very high	52 Å²	52	53 Å²	53	34%	0.338	27%	0.271	S	S	.	.	S	Bend	trans	-60.2	-17	-176.8	-25.3	36.1	0	0	0	115.2	D276 T284	D276-P496 VanDerWaalsContact OD1-CB 3.27Å; D276-P496 WeakPolarHBondContact OD1-CB 3.36Å; T284-P496 HydrophobicContact CG2-CG 4Å
497	K	93.6	Very high	94.5	Very high	169 Å²	169	56.3 Å²	56.3	74%	0.735	29%	0.287	S	S	*	.	S	Bend	trans	-111.2	-21.6	-178.4	-59.2	-176.9	-178.2	177.7	0	113.1	D495	D495-K497 PolarHBondContact O-N 2.99Å; D495-K497 WeakPolarHBondContact OD1-CA 3.18Å; D495-K497 PolarHBondContact OD1-N 3Å
498	R	93.8	Very high	94.3	Very high	24 Å²	24	59.4 Å²	59.4	9%	0.091	30%	0.304	C	S	.	.			trans	-114.3	101.8	-172.5	-172.1	169	-73.4	-77.5	4.3	112	D177 L180 D181 R494 D495 T500	D177-R498 IonicContact OD1-CZ 2.68Å; D177-R498 IonicContact OD1-NH2 3.64Å; D177-R498 PolarHBondContact OD1-NH2 3.37Å; L180-R498 VanDerWaalsContact CB-CZ 3.47Å; D181-R498 IonicContact OD1-CZ 3.65Å; D181-R498 VanDerWaalsContact OD1-CZ 3.26Å; D181-R498 IonicContact OD1-NH1 2.75Å; D181-R498 PolarHBondContact OD1-NH1 3.23Å; D181-R498 IonicContact OD1-NH2 2.7Å; D181-R498 PolarHBondContact OD1-NH2 3.5Å; R494-R498 WeakPolarHBondContact CA-O 3.35Å; D495-R498 PolarHBondContact N-O 3.14Å; D495-R498 PolarHBondContact O-N 3.47Å; D495-R498 WeakPolarHBondContact OD1-CB 3.49Å; D495-R498 PolarHBondContact OD1-N 2.92Å; R498-T500 WeakPolarHBondContact CG-O 3.32Å; R498-T500 PolarHBondContact NH1-O 2.71Å
499	L	94.2	Very high	94	Very high	140 Å²	140	61.5 Å²	61.5	73%	0.733	32%	0.316	S	S	*	.			trans	-103.1	-13.5	172.2	-173.4	58.4	0	0	0	113.1	R494	R494-L499 VanDerWaalsContact CZ-O 3.3Å; R494-L499 PolarHBondContact NE-O 3.41Å; R494-L499 PolarHBondContact NH2-O 3.22Å
500	T	91.9	Very high	93.7	Very high	98 Å²	98	66.6 Å²	66.6	60%	0.601	34%	0.342	S	S	*	.			trans	-135.2	158.3	-177.3	55.6	0	0	0	0	111.5	R498	R498-T500 WeakPolarHBondContact CG-O 3.32Å; R498-T500 PolarHBondContact NH1-O 2.71Å
501	P	72.1	Confident	93.2	Very high	78 Å²	78	71.9 Å²	71.9	51%	0.506	37%	0.368	S	S	.	.			cis	-66.1	0	-15.2	30.3	-34.9	0	0	0	112.2	L180 R183 F492 R494	L180-P501 VanDerWaalsContact O-CD 3.32Å; L180-P501 WeakPolarHBondContact O-CD 3.44Å; R183-P501 HydrophobicContact CB-CG 4.12Å; F492-P501 HydrophobicContact CD1-CG 4.46Å; R494-P501 PolarHBondContact NH1-O 3.42Å; R494-P501 PolarHBondContact NH2-O 2.95Å; R494-P501 PolarHBondContact NH2-OXT 3.31Å

Retrieved 501 of 501 residues in 3407.5 ms (Link to these results)

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