A0A060W5S8_ONCMY Loading...

Phospholipase A1 member A

AlphaFold DB , UniProt , Accession A0A060W5S8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 460 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.1	Very low	30.7	Very low	251 Å²	251	162.5 Å²	162.5	100%	1.236	84%	0.843	S	S	*	*				0	121.5	0	-121.6	154.9	169.6	0	0	106.8
2	G	30.9	Very low	30.6	Very low	67 Å²	67	163.2 Å²	163.2	69%	0.691	85%	0.847	S	S	*	*			trans	-86.9	-170.3	-160.7	0	0	0	0	0	116.5
3	W	26.1	Very low	30.4	Very low	237 Å²	237	158 Å²	158	90%	0.898	83%	0.833	S	S	*	*			trans	83.9	141	158.6	-64.7	33.1	0	0	0	115.4
4	K	34.6	Very low	30.5	Very low	154 Å²	154	158.3 Å²	158.3	67%	0.67	83%	0.833	S	S	*	*			cis	-175.8	155.1	-12.5	-119.9	-176.7	169.9	179.3	0	106.1
5	L	33.4	Very low	30.5	Very low	137 Å²	137	157.7 Å²	157.7	72%	0.717	83%	0.83	S	S	*	*			trans	63.3	126.6	154.3	-83.9	100.8	0	0	0	121.2
6	K	30.5	Very low	30.6	Very low	202 Å²	202	153.3 Å²	153.3	88%	0.878	82%	0.823	S	S	*	*				-168.1	140.4	102.2	-101.2	173.9	-177.4	-179	0	112.6
7	T	33.5	Very low	30.6	Very low	129 Å²	129	154.5 Å²	154.5	79%	0.791	82%	0.82	S	S	*	*			trans	-70	152.4	171.9	42.7	0	0	0	0	113.5
8	A	29.2	Very low	30.4	Very low	104 Å²	104	158.6 Å²	158.6	86%	0.86	82%	0.824	S	S	*	*				176.8	146.1	126.9	0	0	0	0	0	112.3
9	E	30.1	Very low	30.6	Very low	180 Å²	180	158 Å²	158	84%	0.841	82%	0.82	S	S	*	*			trans	-71.8	161.6	-172.3	-57.8	163.9	143.4	0	0	114.5
10	T	29.8	Very low	30.6	Very low	147 Å²	147	156.7 Å²	156.7	90%	0.902	82%	0.819	S	S	*	*				-172.7	144.2	129.9	18.2	0	0	0	0	112.9
11	F	28.5	Very low	30.6	Very low	180 Å²	180	154.4 Å²	154.4	79%	0.789	82%	0.817	S	S	*	*			trans	-60.8	151.2	-177.4	-83.2	-111.3	0	0	0	115.4
12	L	30.1	Very low	30.8	Very low	170 Å²	170	149 Å²	149	89%	0.89	80%	0.798	S	S	*	*			trans	-160.4	115.2	134.9	-110.6	138.9	0	0	0	112.6
13	S	27.4	Very low	30.9	Very low	96 Å²	96	151.8 Å²	151.8	67%	0.671	80%	0.802	S	S	*	*			trans	-75.3	139	173	-38.9	0	0	0	0	110.7
14	I	32.6	Very low	31.5	Very low	162 Å²	162	145.3 Å²	145.3	83%	0.831	80%	0.799	S	S	*	*			trans	-128.3	109.2	161.9	-62	-179.5	0	0	0	108.6
15	L	29.8	Very low	31.3	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	80%	0.796	S	S	*	*			trans	-76.9	130.8	165	-128.3	93.6	0	0	0	108.1	F17	L15-F17 HydrophobicContact CD2-CD2 4.44Å; L15-F17 HydrophobicContact CD2-CE2 4.35Å
16	A	32.8	Very low	31.3	Very low	88 Å²	88	143.1 Å²	143.1	73%	0.727	80%	0.803	S	S	*	*			trans	-130	113.5	160.6	0	0	0	0	0	109.1
17	F	29.3	Very low	31.5	Very low	173 Å²	173	141.5 Å²	141.5	76%	0.759	80%	0.804	S	S	*	*			trans	-52	133.9	174.2	-98.8	-111.3	0	0	0	112.3	L15	L15-F17 HydrophobicContact CD2-CD2 4.44Å; L15-F17 HydrophobicContact CD2-CE2 4.35Å
18	Y	28	Very low	31.7	Very low	228 Å²	228	144.2 Å²	144.2	89%	0.894	81%	0.808	S	S	*	*			trans	-128.3	132.3	147	-92.5	-83.1	0	0	0	110.3
19	I	33.7	Very low	32.2	Very low	148 Å²	148	147.7 Å²	147.7	76%	0.759	81%	0.806	S	S	*	*			trans	-72.3	133.6	-167.4	-67.9	164.3	0	0	0	110.3	S21	I19-S21 PolarHBondContact O-N 3.46Å
20	T	31.3	Very low	32.7	Very low	131 Å²	131	145 Å²	145	80%	0.804	80%	0.804	S	S	*	*			trans	-65.7	122.4	167.3	38.3	0	0	0	0	110.3
21	S	31.1	Very low	33.4	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	81%	0.805	S	S	*	*			trans	-113.5	106.7	156.3	40.5	0	0	0	0	107.3	I19 V23	I19-S21 PolarHBondContact O-N 3.46Å; S21-V23 PolarHBondContact O-N 2.89Å; S21-V23 VanDerWaalsContact O-N 3.16Å
22	T	34.1	Very low	34.9	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	80%	0.801	S	S	*	*			trans	-71.6	97.5	168.2	46.4	0	0	0	0	107.8
23	V	33.4	Very low	37.5	Very low	126 Å²	126	146.9 Å²	146.9	76%	0.764	80%	0.801	S	S	*	*			trans	-89.5	113.5	153.6	174.7	0	0	0	0	105.3	S21 G25	S21-V23 PolarHBondContact O-N 2.89Å; S21-V23 VanDerWaalsContact O-N 3.16Å; V23-G25 PolarHBondContact O-N 3.16Å
24	A	38.5	Very low	40.5	Very low	101 Å²	101	145.1 Å²	145.1	84%	0.835	79%	0.789	S	S	*	*			trans	-62.2	92.2	160.9	0	0	0	0	0	106.6
25	G	31.1	Very low	43.4	Very low	60 Å²	60	138.7 Å²	138.7	62%	0.619	76%	0.76	S	S	*	*			trans	-72.9	121.8	163.6	0	0	0	0	0	106.7	V23 D27	V23-G25 PolarHBondContact O-N 3.16Å; G25-D27 PolarHBondContact O-N 3.47Å
26	E	33	Very low	46.4	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	74%	0.744	S	S	*	*			trans	-43.1	135.4	162.8	-64.5	170.4	153.1	0	0	108.6	E28	E26-E28 PolarHBondContact O-N 3.04Å
27	D	35.4	Very low	49.2	Very low	167 Å²	167	132.3 Å²	132.3	89%	0.893	71%	0.713	S	S	*	*			trans	-57.1	91.1	172.1	-71.8	-50.1	0	0	0	108.3	G25 E29	G25-D27 PolarHBondContact O-N 3.47Å; D27-E29 PolarHBondContact O-N 2.73Å
28	E	37.3	Very low	52.1	Low	186 Å²	186	126.5 Å²	126.5	87%	0.869	69%	0.69	S	S	*	*			trans	-60.7	108.8	160.7	-86.4	-170.5	154.3	0	0	105.6	E26	E26-E28 PolarHBondContact O-N 3.04Å
29	E	38.5	Very low	55	Low	178 Å²	178	119.7 Å²	119.7	83%	0.832	67%	0.669	S	S	*	*			trans	-41.2	130.3	160.9	-88	-177.3	150.3	0	0	108	D27 R31	D27-E29 PolarHBondContact O-N 2.73Å; E29-R31 PolarHBondContact O-N 2.84Å
30	P	40.6	Very low	57.6	Low	123 Å²	123	112.9 Å²	112.9	80%	0.799	64%	0.635	S	S	*	*			trans	-59	111.2	-179.3	23.5	-30.5	0	0	0	107.2	S32	P30-S32 PolarHBondContact O-N 3.04Å
31	R	45.9	Very low	60.4	Low	242 Å²	242	110.1 Å²	110.1	91%	0.913	62%	0.618	S	S	*	*			trans	-48.4	109.6	166.5	-104.9	179.7	173.6	169.4	0.6	105.9	E29 E33	E29-R31 PolarHBondContact O-N 2.84Å; R31-E33 PolarHBondContact O-N 2.98Å
32	S	59.2	Low	63	Low	100 Å²	100	110.1 Å²	110.1	70%	0.699	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-55.3	116.2	179.5	64.8	0	0	0	0	107.6	P30 C34	P30-S32 PolarHBondContact O-N 3.04Å; S32-C34 PolarHBondContact O-N 2.86Å
33	E	84.2	Confident	65.5	Low	194 Å²	194	108.7 Å²	108.7	91%	0.907	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-60.4	122.3	179.2	-164.5	170.4	-168.9	0	0	108	R31	R31-E33 PolarHBondContact O-N 2.98Å
34	C	90.8	Very high	67.9	Low	60 Å²	60	106.1 Å²	106.1	41%	0.405	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-61.8	139.2	179.4	-55.3	0	0	0	0	109.3	S32 D36 C66	S32-C34 PolarHBondContact O-N 2.86Å; C34-D36 PolarHBondContact O-N 3.46Å; C34-C66 VanDerWaalsContact CA-SG 3.52Å; C34-C66 HydrophobicContact CB-CB 4.01Å; C34-C66 WeakPolarHBondContact CB-SG 3.37Å; C34-C66 VanDerWaalsContact SG-CA 3.52Å; C34-C66 WeakPolarHBondContact SG-CB 3.47Å; C34-C66 CovalentContact SG-SG 2.03Å; C34-C66 PolarHBondContact SG-SG 2.91Å
35	A	93	Very high	70	Confident	27 Å²	27	102.7 Å²	102.7	22%	0.223	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-64.9	136.8	172.3	0	0	0	0	0	109.8	L57 A67 L69	A35-L57 HydrophobicContact CB-CD2 3.71Å; A35-A67 WeakPolarHBondContact CB-O 3.2Å; A35-A67 PolarHBondContact N-O 3.07Å; A35-L69 HydrophobicContact CB-CB 4.22Å
36	D	92.8	Very high	72.5	Confident	83 Å²	83	107.9 Å²	107.9	44%	0.444	53%	0.534	S	S	.	.			trans	-133.9	166.7	-179.6	-162.6	6.9	0	0	0	109.8	C34 Q55 K101	C34-D36 PolarHBondContact O-N 3.46Å; D36-Q55 PolarHBondContact O-NE2 3.24Å; D36-K101 IonicContact OD1-NZ 2.65Å; D36-K101 PolarHBondContact OD1-NZ 3.25Å; D36-K101 IonicContact OD2-NZ 3.84Å; D36-K101 PolarHBondContact OD2-NZ 3.08Å
37	F	92.6	Very high	74.8	Confident	19 Å²	19	105.9 Å²	105.9	8%	0.083	53%	0.525	C	S	.	.			trans	-59.1	143.6	174	-88.5	-100.9	0	0	0	111.7	L57 H93 K101 P102 V105 V122 D124 V126	F37-L57 HydrophobicContact CD2-CD1 3.82Å; F37-L57 HydrophobicContact CE2-CD1 3.98Å; F37-L57 HydrophobicContact CG-CD1 4.48Å; F37-H93 AromaticContact CE1-CD2 3.6Å; F37-H93 AromaticContact CE1-NE2 3.91Å; F37-K101 HydrophobicContact CB-CB 3.48Å; F37-K101 VanDerWaalsContact CB-CB 3.48Å; F37-K101 HydrophobicContact CB-CD 4.23Å; F37-K101 HydrophobicContact CD1-CB 4.39Å; F37-K101 HydrophobicContact CG-CB 3.92Å; F37-P102 HydrophobicContact CD1-CG 4.32Å; F37-P102 HydrophobicContact CE1-CG 3.76Å; F37-P102 HydrophobicContact CE2-CG 4.43Å; F37-P102 HydrophobicContact CZ-CG 3.81Å; F37-V105 HydrophobicContact CE2-CB 4.1Å; F37-V105 HydrophobicContact CE2-CG1 3.83Å; F37-V105 HydrophobicContact CE2-CG2 4.22Å; F37-V105 HydrophobicContact CZ-CB 4.3Å; F37-V105 HydrophobicContact CZ-CG1 4.11Å; F37-V105 HydrophobicContact CZ-CG2 3.92Å; F37-V122 HydrophobicContact CE1-CG1 4.41Å; F37-V122 HydrophobicContact CE2-CG1 3.62Å; F37-V122 HydrophobicContact CZ-CG1 3.32Å; F37-D124 WeakPolarHBondContact CA-OD2 3.46Å; F37-D124 HydrophobicContact CD1-CB 3.61Å; F37-D124 WeakPolarHBondContact CD1-OD1 3.49Å; F37-D124 HydrophobicContact CE1-CB 3.6Å; F37-D124 HydrophobicContact CG-CB 4.32Å; F37-D124 HydrophobicContact CZ-CB 4.3Å; F37-V126 HydrophobicContact CD1-CG2 3.81Å; F37-V126 HydrophobicContact CE1-CG2 4.33Å
38	N	90.1	Very high	76.6	Confident	52 Å²	52	102 Å²	102	28%	0.278	50%	0.501	S	S	.	.			trans	-65	147.3	161	-71.4	-27	0	0	0	109.5	Q55 D124 Y127	N38-Q55 PolarHBondContact ND2-NE2 2.83Å; N38-Q55 PolarHBondContact OD1-NE2 3.5Å; N38-D124 WeakPolarHBondContact CB-OD2 3.49Å; N38-D124 PolarHBondContact N-OD2 2.96Å; N38-Y127 HydrophobicContact CB-CD2 4.14Å; N38-Y127 HydrophobicContact CB-CE2 3.86Å
39	N	88.7	Confident	77.8	Confident	84 Å²	84	95.3 Å²	95.3	45%	0.449	48%	0.482	S	S	.	.			trans	-118.8	154.8	165.2	-66.9	-53.9	0	0	0	107.9	G99 K101 Y127	N39-G99 WeakPolarHBondContact CA-O 3.39Å; N39-K101 PolarHBondContact OD1-N 2.84Å; N39-Y127 PolarHBondContact O-OH 2.89Å
40	T	88.4	Confident	78.9	Confident	6 Å²	6	91 Å²	91	4%	0.037	47%	0.471	C	S	.	.			trans	-137.4	141.6	176	-174.5	0	0	0	0	111.6	E44 G99 V126 Y127 F131	T40-E44 WeakPolarHBondContact CA-OE2 3.38Å; T40-G99 PolarHBondContact N-O 3.47Å; T40-G99 WeakPolarHBondContact O-CA 3.43Å; T40-V126 HydrophobicContact CG2-CG1 4.07Å; T40-Y127 VanDerWaalsContact CB-CE1 3.4Å; T40-Y127 HydrophobicContact CG2-CD1 4.18Å; T40-Y127 HydrophobicContact CG2-CE1 4.4Å; T40-Y127 WeakPolarHBondContact OG1-CD1 3.36Å; T40-Y127 WeakPolarHBondContact OG1-CE1 3.47Å; T40-F131 HydrophobicContact CG2-CE2 3.64Å; T40-F131 HydrophobicContact CG2-CZ 3.71Å
41	T	89.4	Confident	80.3	Confident	73 Å²	73	92.6 Å²	92.6	45%	0.448	47%	0.466	S	S	.	.			trans	-97.1	158.6	166.8	69.5	0	0	0	0	110.9	L43 E44 Y45 F131	T41-L43 PolarHBondContact O-N 3.16Å; T41-L43 VanDerWaalsContact O-N 3.15Å; T41-E44 PolarHBondContact N-OE2 3.29Å; T41-E44 PolarHBondContact O-N 3.09Å; T41-E44 VanDerWaalsContact OG1-CD 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.47Å; T41-E44 PolarHBondContact OG1-N 3.47Å; T41-E44 PolarHBondContact OG1-OE2 2.97Å; T41-Y45 PolarHBondContact O-N 3.1Å; T41-F131 WeakPolarHBondContact O-CZ 3.37Å
42	W	85.1	Confident	82.1	Confident	108 Å²	108	82.2 Å²	82.2	41%	0.409	43%	0.428	S	S	.	.	H	α-helix	trans	-57.3	-31.4	177.9	175.6	-116.9	0	0	0	113.4	Y45 R46 F131	W42-Y45 HydrophobicContact CE3-CD1 4.05Å; W42-Y45 AromaticContact CZ3-CD1 3.8Å; W42-Y45 HydrophobicContact CZ3-CD1 3.8Å; W42-Y45 HydrophobicContact CZ3-CE1 4.08Å; W42-R46 VanDerWaalsContact CE2-NE 3.26Å; W42-R46 HydrophobicContact CZ2-CG 4.31Å; W42-R46 VanDerWaalsContact CZ2-NE 3.32Å; W42-R46 VanDerWaalsContact NE1-NE 3.13Å; W42-R46 PolarHBondContact O-N 3.49Å; W42-F131 HydrophobicContact CB-CD1 4.24Å; W42-F131 HydrophobicContact CB-CE1 3.84Å; W42-F131 HydrophobicContact CB-CZ 4.39Å; W42-F131 HydrophobicContact CD2-CD1 4.42Å; W42-F131 HydrophobicContact CE3-CB 3.74Å; W42-F131 AromaticContact CE3-CD1 3.58Å; W42-F131 HydrophobicContact CE3-CD1 3.58Å; W42-F131 AromaticContact CE3-CD2 3.97Å; W42-F131 HydrophobicContact CE3-CD2 3.97Å; W42-F131 HydrophobicContact CE3-CE1 4.17Å; W42-F131 AromaticContact CE3-CG 3.45Å; W42-F131 HydrophobicContact CE3-CG 3.45Å; W42-F131 VanDerWaalsContact CE3-CG 3.45Å; W42-F131 HydrophobicContact CZ3-CB 3.6Å; W42-F131 HydrophobicContact CZ3-CD1 4.33Å; W42-F131 HydrophobicContact CZ3-CD2 4.3Å; W42-F131 AromaticContact CZ3-CG 3.81Å; W42-F131 HydrophobicContact CZ3-CG 3.81Å
43	L	86.4	Confident	83.4	Confident	108 Å²	108	80.5 Å²	80.5	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-69.5	-47.1	178.2	-172.6	69	0	0	0	111.3	T41 Y45 R46 Q47	T41-L43 PolarHBondContact O-N 3.16Å; T41-L43 VanDerWaalsContact O-N 3.15Å; L43-Y45 VanDerWaalsContact C-N 3.35Å; L43-Y45 PolarHBondContact O-N 3.21Å; L43-R46 PolarHBondContact O-N 2.9Å; L43-Q47 WeakPolarHBondContact O-CG 3.08Å; L43-Q47 PolarHBondContact O-N 3.16Å
44	E	84.9	Confident	83.9	Confident	72 Å²	72	72.5 Å²	72.5	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-43.7	177.9	-70.5	161.2	173.6	0	0	111.4	T40 T41 R46 Q47 Q48	T40-E44 WeakPolarHBondContact CA-OE2 3.38Å; T41-E44 PolarHBondContact N-OE2 3.29Å; T41-E44 PolarHBondContact O-N 3.09Å; T41-E44 VanDerWaalsContact OG1-CD 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.47Å; T41-E44 PolarHBondContact OG1-N 3.47Å; T41-E44 PolarHBondContact OG1-OE2 2.97Å; E44-R46 VanDerWaalsContact C-N 3.34Å; E44-R46 PolarHBondContact O-N 3.05Å; E44-Q47 PolarHBondContact O-N 2.79Å; E44-Q47 VanDerWaalsContact O-N 3.12Å; E44-Q48 PolarHBondContact O-N 2.83Å
45	Y	83.1	Confident	84.1	Confident	30 Å²	30	71.3 Å²	71.3	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-57.5	-44.2	176.8	177.5	-95.5	0	0	0	112.7	T41 W42 L43 G49 F131	T41-Y45 PolarHBondContact O-N 3.1Å; W42-Y45 HydrophobicContact CE3-CD1 4.05Å; W42-Y45 AromaticContact CZ3-CD1 3.8Å; W42-Y45 HydrophobicContact CZ3-CD1 3.8Å; W42-Y45 HydrophobicContact CZ3-CE1 4.08Å; L43-Y45 VanDerWaalsContact C-N 3.35Å; L43-Y45 PolarHBondContact O-N 3.21Å; Y45-G49 PolarHBondContact O-N 3.29Å; Y45-F131 AromaticContact CD1-CD2 3.81Å; Y45-F131 HydrophobicContact CD1-CD2 3.81Å; Y45-F131 HydrophobicContact CD1-CE2 4.22Å; Y45-F131 AromaticContact CD2-CD2 3.66Å; Y45-F131 HydrophobicContact CD2-CD2 3.66Å; Y45-F131 AromaticContact CD2-CE2 3.71Å; Y45-F131 HydrophobicContact CD2-CE2 3.71Å; Y45-F131 HydrophobicContact CE1-CD2 4.32Å; Y45-F131 HydrophobicContact CE2-CD2 4.18Å; Y45-F131 AromaticContact CG-CD2 3.46Å; Y45-F131 HydrophobicContact CG-CD2 3.46Å; Y45-F131 VanDerWaalsContact CG-CD2 3.46Å; Y45-F131 AromaticContact CG-CE2 3.48Å; Y45-F131 HydrophobicContact CG-CE2 3.48Å; Y45-F131 VanDerWaalsContact CG-CE2 3.48Å
46	R	83.1	Confident	84.3	Confident	168 Å²	168	71.2 Å²	71.2	63%	0.634	36%	0.356	S	S	*	.	H	α-helix	trans	-66.8	-36.4	175.5	-76	-164.2	-159.9	166.4	-0.4	112.8	W42 L43 E44	W42-R46 VanDerWaalsContact CE2-NE 3.26Å; W42-R46 HydrophobicContact CZ2-CG 4.31Å; W42-R46 VanDerWaalsContact CZ2-NE 3.32Å; W42-R46 VanDerWaalsContact NE1-NE 3.13Å; W42-R46 PolarHBondContact O-N 3.49Å; L43-R46 PolarHBondContact O-N 2.9Å; E44-R46 VanDerWaalsContact C-N 3.34Å; E44-R46 PolarHBondContact O-N 3.05Å
47	Q	81.8	Confident	84.5	Confident	144 Å²	144	67.6 Å²	67.6	67%	0.673	34%	0.336	S	S	*	.	H	α-helix	trans	-74.7	-39.5	-176.5	-75.2	176.2	-9.4	0	0	112.7	L43 E44 G49	L43-Q47 WeakPolarHBondContact O-CG 3.08Å; L43-Q47 PolarHBondContact O-N 3.16Å; E44-Q47 PolarHBondContact O-N 2.79Å; E44-Q47 VanDerWaalsContact O-N 3.12Å; Q47-G49 PolarHBondContact O-N 3.41Å
48	Q	72.8	Confident	84.7	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-77.5	-9.3	179.7	-73.2	-179.5	-7.6	0	0	113.5	E44 Q53	E44-Q48 PolarHBondContact O-N 2.83Å; Q48-Q53 VanDerWaalsContact OE1-NE2 3.09Å
49	G	62.8	Low	85.1	Confident	46 Å²	46	64.9 Å²	64.9	47%	0.474	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	71.8	170.8	0	0	0	0	0	112.8	Y45 Q47 K51	Y45-G49 PolarHBondContact O-N 3.29Å; Q47-G49 PolarHBondContact O-N 3.41Å; G49-K51 PolarHBondContact O-N 3.09Å
50	S	60.6	Low	85.5	Confident	86 Å²	86	61.3 Å²	61.3	60%	0.601	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	16.4	172.7	68.2	0	0	0	0	117.1	L52	S50-L52 PolarHBondContact O-N 3.12Å; S50-L52 VanDerWaalsContact O-N 3.14Å
51	K	71	Confident	85.9	Confident	157 Å²	157	66.7 Å²	66.7	68%	0.683	32%	0.324	S	S	*	.			trans	-72.5	113.2	-177	-168.9	177.3	-178	-176.9	0	107.8	G49 Q53	G49-K51 PolarHBondContact O-N 3.09Å; K51-Q53 PolarHBondContact O-N 3.11Å
52	L	83.4	Confident	86.2	Confident	24 Å²	24	71.2 Å²	71.2	13%	0.126	34%	0.337	C	S	.	.			trans	-61.4	127.1	179.2	-171.1	72.4	0	0	0	109.8	S50 V54 N139 E142 V143	S50-L52 PolarHBondContact O-N 3.12Å; S50-L52 VanDerWaalsContact O-N 3.14Å; L52-V54 HydrophobicContact CD2-CG2 3.91Å; L52-V54 HydrophobicContact CG-CG2 4.02Å; L52-N139 HydrophobicContact CD1-CB 4.27Å; L52-E142 HydrophobicContact CB-CG 4.47Å; L52-E142 HydrophobicContact CD2-CB 3.87Å; L52-E142 HydrophobicContact CD2-CG 3.51Å; L52-V143 HydrophobicContact CD1-CG2 3.71Å; L52-V143 HydrophobicContact CD2-CB 4.28Å; L52-V143 HydrophobicContact CD2-CG2 3.57Å; L52-V143 HydrophobicContact CG-CG2 4.2Å
53	Q	87.3	Confident	86.6	Confident	64 Å²	64	66.6 Å²	66.6	30%	0.299	32%	0.321	S	S	.	.			trans	-118	114.7	173.1	-64.6	179.8	15.5	0	0	107.8	Q48 K51 Y127	Q48-Q53 VanDerWaalsContact OE1-NE2 3.09Å; K51-Q53 PolarHBondContact O-N 3.11Å; Q53-Y127 HydrophobicContact CB-CD2 4.24Å
54	V	94.6	Very high	87	Confident	26 Å²	26	63.7 Å²	63.7	16%	0.158	31%	0.307	C	S	.	.			trans	-113.3	127.8	172.1	-174.4	0	0	0	0	108	L52 Y56 V123 D124 W125 V143 Q146	L52-V54 HydrophobicContact CD2-CG2 3.91Å; L52-V54 HydrophobicContact CG-CG2 4.02Å; V54-Y56 HydrophobicContact CG1-CE1 3.81Å; V54-Y56 HydrophobicContact CG1-CE2 4.46Å; V54-V123 HydrophobicContact CG1-CG1 3.58Å; V54-D124 CarbonylContact C-O 3.58Å; V54-D124 VanDerWaalsContact CA-O 3.3Å; V54-D124 WeakPolarHBondContact CA-O 3.41Å; V54-W125 HydrophobicContact CG2-CB 4.11Å; V54-V143 HydrophobicContact CG2-CG1 4.25Å; V54-V143 HydrophobicContact CG2-CG2 4.39Å; V54-Q146 HydrophobicContact CB-CB 4.49Å; V54-Q146 VanDerWaalsContact CB-OE1 3.24Å; V54-Q146 HydrophobicContact CG2-CB 4.28Å
55	Q	95	Very high	87.4	Confident	35 Å²	35	65 Å²	65	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	157.1	168.9	69.5	172.5	-26.4	0	0	110.4	D36 N38 L69 D124	D36-Q55 PolarHBondContact O-NE2 3.24Å; N38-Q55 PolarHBondContact ND2-NE2 2.83Å; N38-Q55 PolarHBondContact OD1-NE2 3.5Å; Q55-L69 HydrophobicContact CB-CD1 4.3Å; Q55-D124 HydrophobicContact CG-CB 3.62Å; Q55-D124 WeakPolarHBondContact CG-OD2 3.4Å; Q55-D124 PolarHBondContact N-O 3.18Å; Q55-D124 PolarHBondContact NE2-OD2 3.28Å; Q55-D124 PolarHBondContact O-N 2.82Å
56	Y	97	Very high	87.9	Confident	26 Å²	26	65.5 Å²	65.5	10%	0.102	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	-178.3	-52.7	-73.8	0	0	0	109.9	V54 F70 V121 V122 V123 Q146 I147 L150	V54-Y56 HydrophobicContact CG1-CE1 3.81Å; V54-Y56 HydrophobicContact CG1-CE2 4.46Å; Y56-F70 PolarHBondContact O-N 3.05Å; Y56-V121 HydrophobicContact CD1-CG1 4.15Å; Y56-V121 HydrophobicContact CG-CG1 4.46Å; Y56-V122 WeakPolarHBondContact CA-O 3.24Å; Y56-V123 HydrophobicContact CD1-CG1 4.49Å; Y56-V123 HydrophobicContact CD1-CG2 4.1Å; Y56-V123 HydrophobicContact CE1-CG1 4.13Å; Y56-V123 HydrophobicContact CE1-CG2 4.06Å; Y56-Q146 PolarHBondContact OH-O 3.33Å; Y56-I147 HydrophobicContact CE1-CG1 4.19Å; Y56-I147 WeakPolarHBondContact OH-CA 3.36Å; Y56-I147 PolarHBondContact OH-N 2.96Å; Y56-L150 HydrophobicContact CD1-CD2 3.6Å; Y56-L150 HydrophobicContact CD2-CD2 3.92Å; Y56-L150 HydrophobicContact CE1-CD2 3.69Å; Y56-L150 HydrophobicContact CE2-CB 4.21Å; Y56-L150 HydrophobicContact CE2-CD2 4Å; Y56-L150 HydrophobicContact CG-CD2 3.71Å
57	L	96.7	Very high	88.4	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.3	177.5	-46.6	173.8	0	0	0	108.4	A35 F37 A67 L69 V121 V122	A35-L57 HydrophobicContact CB-CD2 3.71Å; F37-L57 HydrophobicContact CD2-CD1 3.82Å; F37-L57 HydrophobicContact CE2-CD1 3.98Å; F37-L57 HydrophobicContact CG-CD1 4.48Å; L57-A67 HydrophobicContact CB-CB 4.03Å; L57-L69 HydrophobicContact CD2-CD1 4.43Å; L57-V121 WeakPolarHBondContact O-CA 3.5Å; L57-V122 HydrophobicContact CB-CB 4.18Å; L57-V122 PolarHBondContact N-O 3.23Å; L57-V122 PolarHBondContact O-N 3.46Å
58	L	97.1	Very high	89	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	-179.3	174.9	69.7	0	0	0	111.3	T60 N63 A67 S68 F70 F82 N119 V121	L58-T60 HydrophobicContact CD1-CG2 4.13Å; L58-T60 HydrophobicContact CG-CG2 4.24Å; L58-N63 PolarHBondContact O-ND2 3.1Å; L58-A67 WeakPolarHBondContact O-CA 3.36Å; L58-S68 PolarHBondContact N-O 3.49Å; L58-S68 PolarHBondContact O-N 3.13Å; L58-S68 PolarHBondContact O-OG 3.42Å; L58-F70 HydrophobicContact CB-CB 3.86Å; L58-F70 HydrophobicContact CB-CD2 4.19Å; L58-F70 HydrophobicContact CB-CG 4.09Å; L58-F70 HydrophobicContact CD2-CD2 3.87Å; L58-F70 HydrophobicContact CD2-CE2 4.15Å; L58-F82 HydrophobicContact CD1-CD2 4.16Å; L58-F82 HydrophobicContact CD2-CB 3.76Å; L58-F82 HydrophobicContact CD2-CD2 4.47Å; L58-N119 HydrophobicContact CD1-CB 4.11Å; L58-V121 HydrophobicContact CD1-CG2 4.06Å
59	L	97.6	Very high	90	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.068	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.4	170.7	-71.3	162.9	0	0	0	109.5	N63 A67 A109 L113 V120	L59-N63 WeakPolarHBondContact CD2-O 3.43Å; L59-A67 HydrophobicContact CD2-CB 3.79Å; L59-A67 HydrophobicContact CG-CB 3.89Å; L59-A109 HydrophobicContact CD1-CB 3.55Å; L59-L113 HydrophobicContact CB-CD1 4.02Å; L59-V120 HydrophobicContact CB-CB 4.28Å; L59-V120 PolarHBondContact N-O 2.92Å; L59-V120 PolarHBondContact O-N 2.94Å
60	T	97.4	Very high	91.5	Very high	8 Å²	8	51.6 Å²	51.6	5%	0.049	26%	0.263	C	S	.	.			trans	-137.2	175.1	173.5	72	0	0	0	0	109	L58 K62 N63 T64 Y81	L58-T60 HydrophobicContact CD1-CG2 4.13Å; L58-T60 HydrophobicContact CG-CG2 4.24Å; T60-K62 PolarHBondContact O-N 2.77Å; T60-K62 VanDerWaalsContact O-N 3.08Å; T60-K62 PolarHBondContact OG1-N 2.82Å; T60-K62 VanDerWaalsContact OG1-N 3.16Å; T60-N63 PolarHBondContact N-OD1 3.36Å; T60-N63 CarbonylContact O-C 3.38Å; T60-N63 PolarHBondContact O-N 3.02Å; T60-N63 VanDerWaalsContact O-N 3.09Å; T60-N63 PolarHBondContact O-OD1 3.37Å; T60-N63 PolarHBondContact OG1-OD1 3.05Å; T60-T64 WeakPolarHBondContact O-CG2 3.37Å; T60-T64 PolarHBondContact O-N 3.18Å; T60-Y81 WeakPolarHBondContact CG2-O 3.03Å
61	R	96.7	Very high	92.8	Very high	120 Å²	120	49.6 Å²	49.6	45%	0.453	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.5	172.6	-69.6	-174.7	173.3	-179.1	-6.5	113.6	L113 R114 D117	R61-L113 HydrophobicContact CG-CB 4.38Å; R61-L113 HydrophobicContact CG-CD2 4.35Å; R61-L113 PolarHBondContact NE-O 3.11Å; R61-L113 PolarHBondContact NH2-O 3.39Å; R61-R114 PolarHBondContact NH2-O 3.48Å; R61-D117 WeakPolarHBondContact CD-OD1 3.2Å; R61-D117 IonicContact NE-OD1 3.61Å
62	K	95.1	Very high	93.2	Very high	167 Å²	167	48 Å²	48	73%	0.726	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.9	178.7	-61.8	177.6	179.9	175	0	113.3	T60 Y81	T60-K62 PolarHBondContact O-N 2.77Å; T60-K62 VanDerWaalsContact O-N 3.08Å; T60-K62 PolarHBondContact OG1-N 2.82Å; T60-K62 VanDerWaalsContact OG1-N 3.16Å; K62-Y81 HydrophobicContact CB-CD1 3.69Å; K62-Y81 HydrophobicContact CB-CE1 3.89Å; K62-Y81 HydrophobicContact CD-CD1 4.12Å
63	N	95.1	Very high	93.1	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.064	27%	0.269	C	S	.	.	S	Bend	trans	-141.1	41.3	-174.4	71.5	-47.5	0	0	0	112.5	L58 L59 T60 D65 C66 Y81	L58-N63 PolarHBondContact O-ND2 3.1Å; L59-N63 WeakPolarHBondContact CD2-O 3.43Å; T60-N63 PolarHBondContact N-OD1 3.36Å; T60-N63 CarbonylContact O-C 3.38Å; T60-N63 PolarHBondContact O-N 3.02Å; T60-N63 VanDerWaalsContact O-N 3.09Å; T60-N63 PolarHBondContact O-OD1 3.37Å; T60-N63 PolarHBondContact OG1-OD1 3.05Å; N63-D65 PolarHBondContact O-N 3.29Å; N63-C66 WeakPolarHBondContact CB-O 3.49Å; N63-C66 PolarHBondContact ND2-O 3.28Å; N63-C66 CarbonylContact O-C 3.55Å; N63-C66 PolarHBondContact O-N 3.33Å; N63-C66 VanDerWaalsContact O-N 3.13Å; N63-Y81 HydrophobicContact CB-CD1 4.4Å; N63-Y81 HydrophobicContact CB-CD2 4.18Å; N63-Y81 HydrophobicContact CB-CE1 4.19Å; N63-Y81 HydrophobicContact CB-CE2 3.97Å; N63-Y81 HydrophobicContact CB-CG 4.4Å
64	T	93.8	Very high	92.9	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.288	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.6	-171.2	51.6	0	0	0	0	116.1	T60 Q110 L113	T60-T64 WeakPolarHBondContact O-CG2 3.37Å; T60-T64 PolarHBondContact O-N 3.18Å; T64-Q110 PolarHBondContact O-NE2 3.26Å; T64-L113 HydrophobicContact CG2-CD1 4.13Å
65	D	92.7	Very high	92.2	Very high	98 Å²	98	51.2 Å²	51.2	52%	0.524	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-8	-176	-73.3	-73.7	0	0	0	114.1	N63 K106 Q110	N63-D65 PolarHBondContact O-N 3.29Å; D65-K106 WeakPolarHBondContact OD1-CE 3.21Å; D65-K106 IonicContact OD1-NZ 3.13Å; D65-K106 PolarHBondContact OD1-NZ 2.97Å; D65-Q110 PolarHBondContact OD1-NE2 3.4Å
66	C	94	Very high	91.3	Very high	42 Å²	42	53.9 Å²	53.9	28%	0.284	28%	0.281	S	S	.	.	S	Bend	trans	-138.3	92.6	-173.5	-171	0	0	0	0	109.1	C34 N63	C34-C66 VanDerWaalsContact CA-SG 3.52Å; C34-C66 HydrophobicContact CB-CB 4.01Å; C34-C66 WeakPolarHBondContact CB-SG 3.37Å; C34-C66 VanDerWaalsContact SG-CA 3.52Å; C34-C66 WeakPolarHBondContact SG-CB 3.47Å; C34-C66 CovalentContact SG-SG 2.03Å; C34-C66 PolarHBondContact SG-SG 2.91Å; N63-C66 WeakPolarHBondContact CB-O 3.49Å; N63-C66 PolarHBondContact ND2-O 3.28Å; N63-C66 CarbonylContact O-C 3.55Å; N63-C66 PolarHBondContact O-N 3.33Å; N63-C66 VanDerWaalsContact O-N 3.13Å
67	A	95	Very high	90.3	Very high	13 Å²	13	57.4 Å²	57.4	11%	0.107	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.1	147.2	-179.2	0	0	0	0	0	110.8	A35 L57 L58 L59	A35-A67 WeakPolarHBondContact CB-O 3.2Å; A35-A67 PolarHBondContact N-O 3.07Å; L57-A67 HydrophobicContact CB-CB 4.03Å; L58-A67 WeakPolarHBondContact O-CA 3.36Å; L59-A67 HydrophobicContact CD2-CB 3.79Å; L59-A67 HydrophobicContact CG-CB 3.89Å
68	S	94.3	Very high	88.6	Confident	32 Å²	32	65.2 Å²	65.2	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.5	170.1	57.5	0	0	0	0	109.8	L58 F70	L58-S68 PolarHBondContact N-O 3.49Å; L58-S68 PolarHBondContact O-N 3.13Å; L58-S68 PolarHBondContact O-OG 3.42Å; S68-F70 PolarHBondContact O-N 2.83Å
69	L	93.8	Very high	86.8	Confident	102 Å²	102	72.6 Å²	72.6	53%	0.534	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.3	169.2	-172.9	67.7	0	0	0	109.1	A35 Q55 L57	A35-L69 HydrophobicContact CB-CB 4.22Å; Q55-L69 HydrophobicContact CB-CD1 4.3Å; L57-L69 HydrophobicContact CD2-CD1 4.43Å
70	F	93.3	Very high	85.9	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.018	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.5	-175.4	-169.9	-118.7	0	0	0	110.9	Y56 L58 S68 L75 F82 V121 L150 L154	Y56-F70 PolarHBondContact O-N 3.05Å; L58-F70 HydrophobicContact CB-CB 3.86Å; L58-F70 HydrophobicContact CB-CD2 4.19Å; L58-F70 HydrophobicContact CB-CG 4.09Å; L58-F70 HydrophobicContact CD2-CD2 3.87Å; L58-F70 HydrophobicContact CD2-CE2 4.15Å; S68-F70 PolarHBondContact O-N 2.83Å; F70-L75 HydrophobicContact CE2-CD2 4.14Å; F70-L75 HydrophobicContact CZ-CD2 3.83Å; F70-L75 HydrophobicContact CZ-CG 4.46Å; F70-F82 HydrophobicContact CE2-CB 3.9Å; F70-F82 HydrophobicContact CE2-CD2 4.08Å; F70-F82 AromaticContact CE2-CG 3.99Å; F70-F82 HydrophobicContact CE2-CG 3.99Å; F70-F82 HydrophobicContact CZ-CB 4.36Å; F70-F82 HydrophobicContact CZ-CD1 4.47Å; F70-F82 AromaticContact CZ-CD2 3.74Å; F70-F82 HydrophobicContact CZ-CD2 3.74Å; F70-F82 HydrophobicContact CZ-CE2 4.13Å; F70-F82 AromaticContact CZ-CG 3.93Å; F70-F82 HydrophobicContact CZ-CG 3.93Å; F70-V121 HydrophobicContact CD1-CG1 4.44Å; F70-V121 HydrophobicContact CD1-CG2 4.32Å; F70-V121 HydrophobicContact CE1-CG2 4.34Å; F70-L150 HydrophobicContact CD1-CD1 4.21Å; F70-L150 HydrophobicContact CD1-CD2 4.42Å; F70-L150 HydrophobicContact CE1-CD1 3.89Å; F70-L150 HydrophobicContact CE1-CD2 4.43Å; F70-L154 HydrophobicContact CE1-CD2 4Å; F70-L154 HydrophobicContact CZ-CD2 3.8Å
71	S	87.8	Confident	85.6	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	41%	0.409	S	S	.	.			trans	-148	178.6	179.2	74.4	0	0	0	0	110.2	E73 S74	S71-E73 PolarHBondContact O-N 2.79Å; S71-E73 PolarHBondContact OG-N 2.03Å; S71-S74 PolarHBondContact N-OG 2.94Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 3.01Å; S71-S74 PolarHBondContact O-OG 3.47Å
72	Q	79.4	Confident	85.5	Confident	122 Å²	122	73.4 Å²	73.4	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-55.8	-35.8	173.3	-169.7	179.1	-3.5	0	0	112.5	S74 L75 Q153	Q72-S74 PolarHBondContact O-N 3.13Å; Q72-L75 WeakPolarHBondContact O-CB 3.13Å; Q72-L75 PolarHBondContact O-N 3.32Å; Q72-L75 VanDerWaalsContact O-N 3.1Å; Q72-Q153 HydrophobicContact CG-CG 4.38Å
73	E	81.3	Confident	85.4	Confident	144 Å²	144	68.7 Å²	68.7	67%	0.673	37%	0.374	S	S	*	.	H	α-helix	trans	-66.2	-29.5	179	-62.1	177.9	176.5	0	0	111.9	S71 L75 S76 N77	S71-E73 PolarHBondContact O-N 2.79Å; S71-E73 PolarHBondContact OG-N 2.03Å; E73-L75 PolarHBondContact O-N 2.86Å; E73-S76 PolarHBondContact O-N 2.88Å; E73-S76 PolarHBondContact O-OG 3.38Å; E73-N77 PolarHBondContact O-ND2 3.33Å
74	S	83	Confident	85.4	Confident	19 Å²	19	69.9 Å²	69.9	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-29.2	174.2	-48.1	0	0	0	0	112	S71 Q72 N77 S80	S71-S74 PolarHBondContact N-OG 2.94Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 3.01Å; S71-S74 PolarHBondContact O-OG 3.47Å; Q72-S74 PolarHBondContact O-N 3.13Å; S74-N77 PolarHBondContact O-N 3.06Å; S74-S80 WeakPolarHBondContact O-CB 3.13Å; S74-S80 PolarHBondContact O-OG 3.12Å
75	L	80.9	Confident	85.4	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-74.4	-25	180	-61.4	174.2	0	0	0	113.3	F70 Q72 E73 F82 Q153 L154 H157	F70-L75 HydrophobicContact CE2-CD2 4.14Å; F70-L75 HydrophobicContact CZ-CD2 3.83Å; F70-L75 HydrophobicContact CZ-CG 4.46Å; Q72-L75 WeakPolarHBondContact O-CB 3.13Å; Q72-L75 PolarHBondContact O-N 3.32Å; Q72-L75 VanDerWaalsContact O-N 3.1Å; E73-L75 PolarHBondContact O-N 2.86Å; L75-F82 HydrophobicContact CD2-CD1 3.83Å; L75-F82 HydrophobicContact CD2-CE1 4.07Å; L75-F82 HydrophobicContact CD2-CG 4.48Å; L75-Q153 HydrophobicContact CD1-CB 4.19Å; L75-L154 HydrophobicContact CD1-CD2 4.12Å; L75-L154 HydrophobicContact CD2-CD2 3.76Å; L75-H157 HydrophobicContact CD1-CB 4.33Å; L75-H157 PolarHBondContact O-CE1 3.2Å
76	S	76.4	Confident	85.7	Confident	92 Å²	92	70 Å²	70	64%	0.643	39%	0.391	S	S	*	.	H	α-helix	trans	-85.8	-11.8	176.9	42.5	0	0	0	0	113.9	E73	E73-S76 PolarHBondContact O-N 2.88Å; E73-S76 PolarHBondContact O-OG 3.38Å
77	N	74.3	Confident	85.8	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	39%	0.386	S	S	.	.			trans	-92.7	123.2	-175	-74.4	-19.9	0	0	0	111.5	E73 S74 N79 S80	E73-N77 PolarHBondContact O-ND2 3.33Å; S74-N77 PolarHBondContact O-N 3.06Å; N77-N79 PolarHBondContact O-N 3.04Å; N77-S80 PolarHBondContact O-N 2.92Å; N77-S80 VanDerWaalsContact O-N 3.1Å; N77-S80 PolarHBondContact O-OG 3.25Å
78	N	61.8	Low	86	Confident	169 Å²	169	68.8 Å²	68.8	90%	0.904	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.1	175.6	-81.5	-9.2	0	0	0	114.4
79	N	60.1	Low	86.2	Confident	157 Å²	157	68.1 Å²	68.1	84%	0.84	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	11.9	178.7	-82.6	7.1	0	0	0	113.8	N77	N77-N79 PolarHBondContact O-N 3.04Å
80	S	77.9	Confident	86.5	Confident	38 Å²	38	63.4 Å²	63.4	27%	0.266	35%	0.349	S	S	.	.			trans	-73.6	143.8	177.3	77.6	0	0	0	0	111.5	S74 N77 F82	S74-S80 WeakPolarHBondContact O-CB 3.13Å; S74-S80 PolarHBondContact O-OG 3.12Å; N77-S80 PolarHBondContact O-N 2.92Å; N77-S80 VanDerWaalsContact O-N 3.1Å; N77-S80 PolarHBondContact O-OG 3.25Å; S80-F82 PolarHBondContact O-N 2.89Å
81	Y	91.6	Very high	86.7	Confident	103 Å²	103	63.2 Å²	63.2	40%	0.404	35%	0.349	S	S	.	.	S	Bend	trans	-70.3	-17.1	174.9	-69	-67.5	0	0	0	112.6	T60 K62 N63	T60-Y81 WeakPolarHBondContact CG2-O 3.03Å; K62-Y81 HydrophobicContact CB-CD1 3.69Å; K62-Y81 HydrophobicContact CB-CE1 3.89Å; K62-Y81 HydrophobicContact CD-CD1 4.12Å; N63-Y81 HydrophobicContact CB-CD1 4.4Å; N63-Y81 HydrophobicContact CB-CD2 4.18Å; N63-Y81 HydrophobicContact CB-CE1 4.19Å; N63-Y81 HydrophobicContact CB-CE2 3.97Å; N63-Y81 HydrophobicContact CB-CG 4.4Å
82	F	94.3	Very high	87.3	Confident	17 Å²	17	61.1 Å²	61.1	8%	0.075	33%	0.334	C	S	.	.			trans	-68.7	139.9	-174	-174	-99.4	0	0	0	111.9	L58 F70 L75 S80 N119 L154	L58-F82 HydrophobicContact CD1-CD2 4.16Å; L58-F82 HydrophobicContact CD2-CB 3.76Å; L58-F82 HydrophobicContact CD2-CD2 4.47Å; F70-F82 HydrophobicContact CE2-CB 3.9Å; F70-F82 HydrophobicContact CE2-CD2 4.08Å; F70-F82 AromaticContact CE2-CG 3.99Å; F70-F82 HydrophobicContact CE2-CG 3.99Å; F70-F82 HydrophobicContact CZ-CB 4.36Å; F70-F82 HydrophobicContact CZ-CD1 4.47Å; F70-F82 AromaticContact CZ-CD2 3.74Å; F70-F82 HydrophobicContact CZ-CD2 3.74Å; F70-F82 HydrophobicContact CZ-CE2 4.13Å; F70-F82 AromaticContact CZ-CG 3.93Å; F70-F82 HydrophobicContact CZ-CG 3.93Å; L75-F82 HydrophobicContact CD2-CD1 3.83Å; L75-F82 HydrophobicContact CD2-CE1 4.07Å; L75-F82 HydrophobicContact CD2-CG 4.48Å; S80-F82 PolarHBondContact O-N 2.89Å; F82-N119 HydrophobicContact CD2-CB 3.91Å; F82-N119 HydrophobicContact CE2-CB 3.83Å; F82-N119 WeakPolarHBondContact CE2-ND2 3.5Å; F82-L154 HydrophobicContact CE1-CD2 3.86Å; F82-L154 HydrophobicContact CE2-CD2 4.07Å; F82-L154 HydrophobicContact CZ-CD1 4.42Å; F82-L154 HydrophobicContact CZ-CD2 3.54Å; F82-L154 HydrophobicContact CZ-CG 4.49Å
83	N	93.8	Very high	88.2	Confident	69 Å²	69	55.3 Å²	55.3	37%	0.369	31%	0.307	S	S	.	.			trans	-131.3	110.1	175.4	-177.3	-13.1	0	0	0	110.4	S85 L86 N119	N83-S85 PolarHBondContact O-N 3.45Å; N83-S85 VanDerWaalsContact O-N 3.16Å; N83-S85 WeakPolarHBondContact OD1-CB 3.01Å; N83-S85 PolarHBondContact OD1-N 3.18Å; N83-L86 HydrophobicContact CB-CB 4.47Å; N83-L86 HydrophobicContact CB-CD1 4Å; N83-L86 HydrophobicContact CB-CG 4.07Å; N83-L86 PolarHBondContact O-N 2.79Å; N83-N119 PolarHBondContact N-OD1 3.37Å; N83-N119 PolarHBondContact O-ND2 3.03Å
84	S	94.1	Very high	88.9	Confident	37 Å²	37	48.7 Å²	48.7	26%	0.259	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.1	-178.2	54.4	0	0	0	0	114.7	L86 H157	S84-L86 VanDerWaalsContact C-N 3.32Å; S84-H157 WeakPolarHBondContact CB-O 3.42Å; S84-H157 PolarHBondContact OG-O 3.3Å
85	S	94.8	Very high	89.5	Confident	108 Å²	108	51.1 Å²	51.1	76%	0.755	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.3	174.7	-57.7	0	0	0	0	113.1	N83	N83-S85 PolarHBondContact O-N 3.45Å; N83-S85 VanDerWaalsContact O-N 3.16Å; N83-S85 WeakPolarHBondContact OD1-CB 3.01Å; N83-S85 PolarHBondContact OD1-N 3.18Å
86	L	97.1	Very high	90.1	Very high	39 Å²	39	52.6 Å²	52.6	20%	0.204	29%	0.288	C	S	.	.	S	Bend	trans	-95.6	150.8	177.1	-66.1	-178.1	0	0	0	111.3	N83 S84 N119	N83-L86 HydrophobicContact CB-CB 4.47Å; N83-L86 HydrophobicContact CB-CD1 4Å; N83-L86 HydrophobicContact CB-CG 4.07Å; N83-L86 PolarHBondContact O-N 2.79Å; S84-L86 VanDerWaalsContact C-N 3.32Å; L86-N119 PolarHBondContact O-ND2 3.09Å
87	P	97.9	Very high	90.7	Very high	30 Å²	30	49.7 Å²	49.7	20%	0.195	27%	0.27	C	S	.	.			trans	-61.5	149.4	171.3	27.4	-34.3	0	0	0	110.8	Q116 A118 N119	P87-Q116 HydrophobicContact CG-CG 4.4Å; P87-A118 HydrophobicContact CG-CB 4.13Å; P87-A118 WeakPolarHBondContact O-CA 3.44Å; P87-A118 WeakPolarHBondContact O-CB 3.4Å; P87-N119 PolarHBondContact O-N 3.1Å
88	T	98.6	Very high	91.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.1	-179	-61.2	0	0	0	0	110.3	I90 N119 V121 S163 F164 H165	T88-I90 HydrophobicContact CG2-CG1 4.1Å; T88-N119 CarbonylContact C-O 3.5Å; T88-N119 WeakPolarHBondContact CA-O 3.5Å; T88-N119 HydrophobicContact CG2-CB 4.17Å; T88-N119 PolarHBondContact OG1-ND2 3.03Å; T88-V121 HydrophobicContact CG2-CG2 3.92Å; T88-S163 PolarHBondContact N-O 3.39Å; T88-F164 HydrophobicContact CG2-CD1 3.97Å; T88-F164 HydrophobicContact CG2-CE1 3.94Å; T88-F164 WeakPolarHBondContact O-CA 3.11Å; T88-H165 PolarHBondContact O-N 2.94Å
89	K	98.8	Very high	92.7	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.4	174.6	-47.2	-56.5	-175.9	-170.6	0	108.9	L112 A118 N119 V120 V121 H165	K89-L112 HydrophobicContact CB-CD1 4.12Å; K89-L112 HydrophobicContact CG-CD1 4.46Å; K89-L112 HydrophobicContact CG-CD2 4.46Å; K89-A118 HydrophobicContact CG-CB 4.17Å; K89-N119 PolarHBondContact N-O 3.27Å; K89-V120 HydrophobicContact CB-CG2 4.24Å; K89-V120 HydrophobicContact CG-CG2 4.48Å; K89-V120 CarbonylContact O-C 3.56Å; K89-V120 WeakPolarHBondContact O-CA 3.36Å; K89-V121 PolarHBondContact O-N 2.97Å; K89-H165 CarbonylContact C-O 3.55Å; K89-H165 VanDerWaalsContact CA-O 3.31Å; K89-H165 WeakPolarHBondContact CA-O 3.48Å; K89-H165 HydrophobicContact CD-CB 3.69Å
90	I	98.9	Very high	94.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.2	-177	-60.1	165.9	0	0	0	108.4	T88 V92 V121 V123 I151 F164 H165 F166 I167	T88-I90 HydrophobicContact CG2-CG1 4.1Å; I90-V92 HydrophobicContact CG2-CG2 4.03Å; I90-V121 CarbonylContact C-O 3.26Å; I90-V121 VanDerWaalsContact CA-O 3.27Å; I90-V121 WeakPolarHBondContact CA-O 3.35Å; I90-V121 HydrophobicContact CG1-CB 4.43Å; I90-V123 HydrophobicContact CG2-CG2 3.66Å; I90-I151 HydrophobicContact CD1-CD1 3.43Å; I90-I151 VanDerWaalsContact CD1-CD1 3.43Å; I90-F164 HydrophobicContact CD1-CD1 3.74Å; I90-F164 HydrophobicContact CD1-CE1 4.42Å; I90-F164 HydrophobicContact CD1-CG 4.39Å; I90-H165 PolarHBondContact N-O 2.02Å; I90-F166 HydrophobicContact CB-CD1 3.92Å; I90-F166 HydrophobicContact CB-CE1 4.03Å; I90-F166 HydrophobicContact CB-CG 4.23Å; I90-F166 HydrophobicContact CB-CZ 4.41Å; I90-F166 HydrophobicContact CD1-CD1 4.35Å; I90-F166 HydrophobicContact CD1-CD2 4.19Å; I90-F166 HydrophobicContact CD1-CE1 3.76Å; I90-F166 HydrophobicContact CD1-CE2 3.56Å; I90-F166 HydrophobicContact CD1-CZ 3.31Å; I90-F166 HydrophobicContact CG1-CZ 4.44Å; I90-F166 HydrophobicContact CG2-CD1 3.84Å; I90-F166 HydrophobicContact CG2-CE1 3.74Å; I90-F166 HydrophobicContact CG2-CZ 4.44Å; I90-F166 CarbonylContact O-C 3.55Å; I90-F166 WeakPolarHBondContact O-CA 3.42Å; I90-I167 PolarHBondContact O-N 3.17Å
91	I	98.9	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.1	178.9	-61.4	172.4	0	0	0	108.5	W104 V105 L108 A109 L112 V120 V121 V122 V123	I91-W104 HydrophobicContact CG2-CH2 3.97Å; I91-W104 HydrophobicContact CG2-CZ3 3.71Å; I91-V105 HydrophobicContact CG2-CG2 4.48Å; I91-L108 HydrophobicContact CD1-CB 4.34Å; I91-L108 HydrophobicContact CD1-CD2 3.9Å; I91-L108 HydrophobicContact CD1-CG 3.91Å; I91-L108 HydrophobicContact CG1-CD2 4.01Å; I91-L108 HydrophobicContact CG1-CG 4.47Å; I91-L108 HydrophobicContact CG2-CD2 4.02Å; I91-A109 HydrophobicContact CD1-CB 3.99Å; I91-L112 HydrophobicContact CD1-CD1 3.95Å; I91-L112 HydrophobicContact CG1-CD1 4.14Å; I91-V120 HydrophobicContact CD1-CG1 3.65Å; I91-V120 HydrophobicContact CG1-CG1 4.2Å; I91-V121 PolarHBondContact N-O 2.94Å; I91-V122 HydrophobicContact CB-CG2 4.4Å; I91-V122 HydrophobicContact CD1-CG2 4.26Å; I91-V123 PolarHBondContact O-N 3.17Å
92	V	98.8	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.8	177.7	-167.7	0	0	0	0	109.1	I90 V123 I147 F166 I167 G168 V169 V175	I90-V92 HydrophobicContact CG2-CG2 4.03Å; V92-V123 HydrophobicContact CG2-CB 4.38Å; V92-V123 HydrophobicContact CG2-CG2 4.04Å; V92-I147 HydrophobicContact CG2-CD1 4.44Å; V92-F166 HydrophobicContact CG2-CD1 4.28Å; V92-I167 PolarHBondContact N-O 3.45Å; V92-G168 WeakPolarHBondContact O-CA 3.33Å; V92-V169 PolarHBondContact O-N 3.45Å; V92-V175 HydrophobicContact CG1-CB 3.93Å; V92-V175 HydrophobicContact CG1-CG1 3.86Å; V92-V175 HydrophobicContact CG1-CG2 4.4Å
93	H	98.3	Very high	94.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.236	C	C	.	.			trans	-72.7	166.1	175.3	71.6	79.5	0	0	0	111.5	F37 P102 W104 V123 D124 W125 G172	F37-H93 AromaticContact CE1-CD2 3.6Å; F37-H93 AromaticContact CE1-NE2 3.91Å; H93-P102 HydrophobicContact CB-CG 4.08Å; H93-W104 HydrophobicContact CB-CH2 3.92Å; H93-W104 HydrophobicContact CB-CZ2 3.67Å; H93-V123 PolarHBondContact CD2-O 2.87Å; H93-D124 IonicContact NE2-OD1 3.32Å; H93-W125 AromaticContact CD2-CD1 3.69Å; H93-W125 AromaticContact CD2-NE1 3.81Å; H93-W125 AromaticContact CE1-CD1 3.41Å; H93-W125 VanDerWaalsContact CE1-CD1 3.41Å; H93-W125 AromaticContact CE1-CE2 3.84Å; H93-W125 AromaticContact CE1-CG 3.84Å; H93-W125 AromaticContact CE1-NE1 3.38Å; H93-W125 PolarHBondContact CE1-NE1 3.09Å; H93-W125 AromaticContact CG-NE1 3.82Å; H93-W125 AromaticContact ND1-NE1 3.56Å; H93-W125 AromaticContact NE2-CD1 3.2Å; H93-W125 AromaticContact NE2-CG 3.83Å; H93-W125 PolarHBondContact NE2-N 3.06Å; H93-W125 VanDerWaalsContact NE2-N 3.13Å; H93-W125 AromaticContact NE2-NE1 3.57Å; H93-W125 VanDerWaalsContact O-CE2 3.3Å; H93-W125 VanDerWaalsContact O-CZ2 3.23Å; H93-W125 WeakPolarHBondContact O-CZ2 3.37Å; H93-W125 PolarHBondContact O-NE1 3.36Å; H93-G172 WeakPolarHBondContact O-CA 3.49Å
94	G	96.5	Very high	94.9	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	22%	0.221	C	C	.	.			trans	-104.2	-153.5	176.2	0	0	0	0	0	113.9	R96 V169	G94-R96 WeakPolarHBondContact O-CG 3.47Å; G94-V169 VanDerWaalsContact CA-O 3.22Å; G94-V169 WeakPolarHBondContact CA-O 3.19Å; G94-V169 PolarHBondContact N-O 3.05Å; G94-V169 VanDerWaalsContact N-O 3.14Å
95	Y	96.1	Very high	95	Very high	69 Å²	69	36.9 Å²	36.9	27%	0.271	21%	0.211	S	C	.	.			trans	-59.7	141.1	-177	169.9	-108.5	0	0	0	113.8	A97 A129 F131 Y133 V136	Y95-A97 HydrophobicContact CE1-CB 3.83Å; Y95-A129 CarbonylContact C-O 3.52Å; Y95-A129 WeakPolarHBondContact CA-O 3.44Å; Y95-A129 WeakPolarHBondContact CD2-O 3.37Å; Y95-F131 WeakPolarHBondContact CE2-O 3.35Å; Y95-F131 PolarHBondContact OH-O 3.12Å; Y95-Y133 HydrophobicContact CD1-CD2 4.17Å; Y95-Y133 AromaticContact CD2-CD2 3.77Å; Y95-Y133 HydrophobicContact CD2-CD2 3.77Å; Y95-Y133 HydrophobicContact CE1-CD2 4.45Å; Y95-Y133 HydrophobicContact CE2-CD2 4.09Å; Y95-Y133 AromaticContact CG-CD2 3.8Å; Y95-Y133 HydrophobicContact CG-CD2 3.8Å; Y95-Y133 HydrophobicContact CG-CE2 4.4Å; Y95-V136 HydrophobicContact CD2-CG2 3.86Å; Y95-V136 HydrophobicContact CE2-CG2 3.98Å
96	R	93.4	Very high	95	Very high	50 Å²	50	36.6 Å²	36.6	19%	0.189	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-132	80	-172.9	-57.7	-55.7	-60.1	166.6	0.6	111.2	G94 L98 G99 S100 K101 V126 A129 S130 F131	G94-R96 WeakPolarHBondContact O-CG 3.47Å; R96-L98 PolarHBondContact O-N 3.39Å; R96-G99 PolarHBondContact O-N 3Å; R96-S100 VanDerWaalsContact CZ-O 3.27Å; R96-S100 PolarHBondContact NE-O 3.03Å; R96-S100 PolarHBondContact NH2-O 2.84Å; R96-S100 PolarHBondContact NH2-OG 2.83Å; R96-K101 PolarHBondContact NH2-O 2.94Å; R96-V126 HydrophobicContact CG-CG2 4.49Å; R96-A129 HydrophobicContact CG-CB 4.27Å; R96-A129 PolarHBondContact N-O 3.5Å; R96-S130 WeakPolarHBondContact CB-OG 3.3Å; R96-S130 WeakPolarHBondContact O-CA 3.47Å; R96-S130 WeakPolarHBondContact O-CB 3.41Å; R96-S130 PolarHBondContact O-OG 2.84Å; R96-F131 PolarHBondContact O-N 3.37Å
97	A	88.5	Confident	95	Very high	32 Å²	32	39.7 Å²	39.7	26%	0.264	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-35.2	-176.1	0	0	0	0	0	115	Y95	Y95-A97 HydrophobicContact CE1-CB 3.83Å
98	L	89.9	Confident	95	Very high	143 Å²	143	38.2 Å²	38.2	75%	0.749	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.3	-176.2	-58.5	-179.5	0	0	0	115.3	R96 S100	R96-L98 PolarHBondContact O-N 3.39Å; L98-S100 PolarHBondContact O-N 3.4Å
99	G	88.9	Confident	95	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	20%	0.2	C	C	.	.			trans	69.9	13.4	-177.5	0	0	0	0	0	115.3	N39 T40 R96 V126 S130	N39-G99 WeakPolarHBondContact CA-O 3.39Å; T40-G99 PolarHBondContact N-O 3.47Å; T40-G99 WeakPolarHBondContact O-CA 3.43Å; R96-G99 PolarHBondContact O-N 3Å; G99-V126 WeakPolarHBondContact O-CG1 3.27Å; G99-S130 VanDerWaalsContact CA-OG 3.29Å; G99-S130 WeakPolarHBondContact CA-OG 3.5Å
100	S	90.3	Very high	95	Very high	48 Å²	48	38.9 Å²	38.9	34%	0.336	20%	0.203	S	C	.	.			trans	-94.1	148.3	-178.2	62.8	0	0	0	0	112.4	R96 L98	R96-S100 VanDerWaalsContact CZ-O 3.27Å; R96-S100 PolarHBondContact NE-O 3.03Å; R96-S100 PolarHBondContact NH2-O 2.84Å; R96-S100 PolarHBondContact NH2-OG 2.83Å; L98-S100 PolarHBondContact O-N 3.4Å
101	K	91.3	Very high	94.9	Very high	88 Å²	88	39.2 Å²	39.2	38%	0.383	21%	0.206	S	C	.	.			trans	-56.7	139.6	174.5	70.4	178.5	-177.5	178	0	113.2	D36 F37 N39 R96 S103	D36-K101 IonicContact OD1-NZ 2.65Å; D36-K101 PolarHBondContact OD1-NZ 3.25Å; D36-K101 IonicContact OD2-NZ 3.84Å; D36-K101 PolarHBondContact OD2-NZ 3.08Å; F37-K101 HydrophobicContact CB-CB 3.48Å; F37-K101 VanDerWaalsContact CB-CB 3.48Å; F37-K101 HydrophobicContact CB-CD 4.23Å; F37-K101 HydrophobicContact CD1-CB 4.39Å; F37-K101 HydrophobicContact CG-CB 3.92Å; N39-K101 PolarHBondContact OD1-N 2.84Å; R96-K101 PolarHBondContact NH2-O 2.94Å; K101-S103 PolarHBondContact O-N 2.82Å
102	P	92.8	Very high	94.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.032	21%	0.206	C	C	.	.			trans	-69.8	112.5	173.3	28.2	-34.8	0	0	0	111.2	F37 H93 W104 V105	F37-P102 HydrophobicContact CD1-CG 4.32Å; F37-P102 HydrophobicContact CE1-CG 3.76Å; F37-P102 HydrophobicContact CE2-CG 4.43Å; F37-P102 HydrophobicContact CZ-CG 3.81Å; H93-P102 HydrophobicContact CB-CG 4.08Å; P102-W104 HydrophobicContact CB-CD2 4.27Å; P102-W104 HydrophobicContact CB-CG 4.46Å; P102-W104 HydrophobicContact CB-CZ2 3.98Å; P102-W104 PolarHBondContact O-N 3.26Å; P102-W104 VanDerWaalsContact O-N 3.16Å; P102-V105 HydrophobicContact CB-CG2 3.89Å; P102-V105 HydrophobicContact CG-CB 4.43Å; P102-V105 HydrophobicContact CG-CG2 3.44Å; P102-V105 VanDerWaalsContact CG-CG2 3.44Å; P102-V105 PolarHBondContact O-N 3.47Å
103	S	93.7	Very high	94.9	Very high	111 Å²	111	39.4 Å²	39.4	78%	0.776	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.1	-178	53.2	0	0	0	0	114.4	K101	K101-S103 PolarHBondContact O-N 2.82Å
104	W	95.3	Very high	94.8	Very high	16 Å²	16	48 Å²	48	6%	0.061	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.5	-175	56.9	-106	0	0	0	114.4	I91 H93 P102 K106 Q107 L108 V169 M266 L269	I91-W104 HydrophobicContact CG2-CH2 3.97Å; I91-W104 HydrophobicContact CG2-CZ3 3.71Å; H93-W104 HydrophobicContact CB-CH2 3.92Å; H93-W104 HydrophobicContact CB-CZ2 3.67Å; P102-W104 HydrophobicContact CB-CD2 4.27Å; P102-W104 HydrophobicContact CB-CG 4.46Å; P102-W104 HydrophobicContact CB-CZ2 3.98Å; P102-W104 PolarHBondContact O-N 3.26Å; P102-W104 VanDerWaalsContact O-N 3.16Å; W104-K106 VanDerWaalsContact C-N 3.34Å; W104-K106 PolarHBondContact O-N 2.64Å; W104-Q107 WeakPolarHBondContact O-CB 3.36Å; W104-Q107 PolarHBondContact O-N 3.23Å; W104-Q107 VanDerWaalsContact O-N 3.09Å; W104-L108 HydrophobicContact CE3-CB 4.33Å; W104-L108 HydrophobicContact CE3-CD2 4.36Å; W104-L108 HydrophobicContact CZ3-CD2 3.89Å; W104-L108 PolarHBondContact O-N 3.17Å; W104-V169 HydrophobicContact CH2-CB 4.11Å; W104-V169 HydrophobicContact CH2-CG2 3.53Å; W104-V169 HydrophobicContact CZ2-CB 4.04Å; W104-V169 HydrophobicContact CZ2-CG1 4.33Å; W104-V169 HydrophobicContact CZ2-CG2 3.86Å; W104-V169 HydrophobicContact CZ3-CG2 4.03Å; W104-M266 VanDerWaalsContact CD1-CE 3.48Å; W104-M266 HydrophobicContact CG-CE 4.13Å; W104-L269 HydrophobicContact CB-CD2 3.52Å; W104-L269 HydrophobicContact CD2-CD2 3.33Å; W104-L269 HydrophobicContact CE3-CD1 3.99Å; W104-L269 HydrophobicContact CE3-CD2 3.61Å; W104-L269 HydrophobicContact CE3-CG 4.47Å; W104-L269 HydrophobicContact CG-CD2 3.28Å; W104-L269 HydrophobicContact CZ3-CD1 4.32Å; W104-L269 HydrophobicContact CZ3-CD2 4.47Å
105	V	96.2	Very high	94.8	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-43.8	-171.7	167.1	0	0	0	0	112	F37 I91 P102 Q107 L108 A109 V122	F37-V105 HydrophobicContact CE2-CB 4.1Å; F37-V105 HydrophobicContact CE2-CG1 3.83Å; F37-V105 HydrophobicContact CE2-CG2 4.22Å; F37-V105 HydrophobicContact CZ-CB 4.3Å; F37-V105 HydrophobicContact CZ-CG1 4.11Å; F37-V105 HydrophobicContact CZ-CG2 3.92Å; I91-V105 HydrophobicContact CG2-CG2 4.48Å; P102-V105 HydrophobicContact CB-CG2 3.89Å; P102-V105 HydrophobicContact CG-CB 4.43Å; P102-V105 HydrophobicContact CG-CG2 3.44Å; P102-V105 VanDerWaalsContact CG-CG2 3.44Å; P102-V105 PolarHBondContact O-N 3.47Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.02Å; V105-L108 PolarHBondContact O-N 3.03Å; V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 3.28Å; V105-V122 HydrophobicContact CG1-CB 4.28Å; V105-V122 HydrophobicContact CG1-CG1 3.6Å; V105-V122 HydrophobicContact CG1-CG2 3.63Å
106	K	95.5	Very high	94.8	Very high	103 Å²	103	49.9 Å²	49.9	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-58.1	-43.7	177.4	-179.1	171.6	177.6	169.8	0	111.3	D65 W104 A109 Q110	D65-K106 WeakPolarHBondContact OD1-CE 3.21Å; D65-K106 IonicContact OD1-NZ 3.13Å; D65-K106 PolarHBondContact OD1-NZ 2.97Å; W104-K106 VanDerWaalsContact C-N 3.34Å; W104-K106 PolarHBondContact O-N 2.64Å; K106-A109 PolarHBondContact O-N 3.06Å; K106-Q110 WeakPolarHBondContact O-CB 3.37Å; K106-Q110 VanDerWaalsContact O-CG 3.27Å; K106-Q110 WeakPolarHBondContact O-CG 3.28Å; K106-Q110 PolarHBondContact O-N 2.63Å
107	Q	97.1	Very high	95	Very high	103 Å²	103	51 Å²	51	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-44.7	-180	-171.7	-177.1	18.8	0	0	111.7	W104 V105 Q110 A111 I273	W104-Q107 WeakPolarHBondContact O-CB 3.36Å; W104-Q107 PolarHBondContact O-N 3.23Å; W104-Q107 VanDerWaalsContact O-N 3.09Å; V105-Q107 VanDerWaalsContact C-N 3.29Å; V105-Q107 PolarHBondContact O-N 3.02Å; Q107-Q110 PolarHBondContact O-N 3.36Å; Q107-A111 WeakPolarHBondContact O-CB 3.32Å; Q107-A111 PolarHBondContact O-N 3.43Å; Q107-I273 HydrophobicContact CB-CD1 4.49Å; Q107-I273 HydrophobicContact CG-CD1 4.2Å; Q107-I273 HydrophobicContact CG-CG2 4.29Å
108	L	98.2	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-46.4	177.2	178.2	61.9	0	0	0	111.7	I91 W104 V105 Q110 A111 L112 I167 L269 Y272 I273 L276	I91-L108 HydrophobicContact CD1-CB 4.34Å; I91-L108 HydrophobicContact CD1-CD2 3.9Å; I91-L108 HydrophobicContact CD1-CG 3.91Å; I91-L108 HydrophobicContact CG1-CD2 4.01Å; I91-L108 HydrophobicContact CG1-CG 4.47Å; I91-L108 HydrophobicContact CG2-CD2 4.02Å; W104-L108 HydrophobicContact CE3-CB 4.33Å; W104-L108 HydrophobicContact CE3-CD2 4.36Å; W104-L108 HydrophobicContact CZ3-CD2 3.89Å; W104-L108 PolarHBondContact O-N 3.17Å; V105-L108 PolarHBondContact O-N 3.03Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 2.96Å; L108-A111 PolarHBondContact O-N 2.96Å; L108-L112 HydrophobicContact CD1-CD1 4.3Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.16Å; L108-I167 HydrophobicContact CD2-CG2 4.07Å; L108-L269 HydrophobicContact CB-CD1 4.43Å; L108-L269 HydrophobicContact CD1-CD1 4.38Å; L108-L269 HydrophobicContact CD2-CD1 3.89Å; L108-L269 HydrophobicContact CG-CD1 4.46Å; L108-Y272 HydrophobicContact CD1-CD1 3.91Å; L108-Y272 HydrophobicContact CD1-CE1 4.12Å; L108-I273 HydrophobicContact CB-CD1 4.14Å; L108-I273 HydrophobicContact CB-CG1 4.23Å; L108-I273 HydrophobicContact CD1-CG1 3.75Å; L108-L276 HydrophobicContact CD1-CD1 3.98Å
109	A	98.2	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-44.2	178.5	0	0	0	0	0	111.6	L59 I91 V105 K106 L112 L113 V120	L59-A109 HydrophobicContact CD1-CB 3.55Å; I91-A109 HydrophobicContact CD1-CB 3.99Å; V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 3.28Å; K106-A109 PolarHBondContact O-N 3.06Å; A109-L112 PolarHBondContact O-N 3.14Å; A109-L113 VanDerWaalsContact O-CG 3.32Å; A109-L113 WeakPolarHBondContact O-CG 3.43Å; A109-L113 PolarHBondContact O-N 3.16Å; A109-V120 HydrophobicContact CB-CG1 3.81Å
110	Q	97.8	Very high	96.3	Very high	31 Å²	31	42.6 Å²	42.6	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-40.5	176	-72.2	-177.8	-14.7	0	0	112.6	T64 D65 K106 Q107 L108 L112 L113 R114	T64-Q110 PolarHBondContact O-NE2 3.26Å; D65-Q110 PolarHBondContact OD1-NE2 3.4Å; K106-Q110 WeakPolarHBondContact O-CB 3.37Å; K106-Q110 VanDerWaalsContact O-CG 3.27Å; K106-Q110 WeakPolarHBondContact O-CG 3.28Å; K106-Q110 PolarHBondContact O-N 2.63Å; Q107-Q110 PolarHBondContact O-N 3.36Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 2.96Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.36Å; Q110-L113 PolarHBondContact O-N 3.48Å; Q110-R114 VanDerWaalsContact O-CG 3.28Å; Q110-R114 WeakPolarHBondContact O-CG 3.27Å; Q110-R114 PolarHBondContact O-N 3.45Å
111	A	97.8	Very high	96.7	Very high	9 Å²	9	40.3 Å²	40.3	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-43.1	176.2	0	0	0	0	0	111.6	Q107 L108 R114 A115 I273 L276	Q107-A111 WeakPolarHBondContact O-CB 3.32Å; Q107-A111 PolarHBondContact O-N 3.43Å; L108-A111 PolarHBondContact O-N 2.96Å; A111-R114 PolarHBondContact O-N 3.08Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.82Å; A111-I273 HydrophobicContact CB-CG2 4.12Å; A111-L276 HydrophobicContact CB-CB 4.27Å; A111-L276 HydrophobicContact CB-CD1 3.74Å
112	L	98.4	Very high	97.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175.7	-70.2	166	0	0	0	112.2	K89 I91 L108 A109 Q110 R114 A115 Q116 V120 I167 L276 L314	K89-L112 HydrophobicContact CB-CD1 4.12Å; K89-L112 HydrophobicContact CG-CD1 4.46Å; K89-L112 HydrophobicContact CG-CD2 4.46Å; I91-L112 HydrophobicContact CD1-CD1 3.95Å; I91-L112 HydrophobicContact CG1-CD1 4.14Å; L108-L112 HydrophobicContact CD1-CD1 4.3Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.16Å; A109-L112 PolarHBondContact O-N 3.14Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.36Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.01Å; L112-A115 PolarHBondContact O-N 2.83Å; L112-Q116 PolarHBondContact O-N 2.91Å; L112-V120 HydrophobicContact CB-CG2 4.1Å; L112-V120 HydrophobicContact CD1-CG2 4.43Å; L112-I167 HydrophobicContact CD1-CD1 3.58Å; L112-I167 HydrophobicContact CD2-CD1 3.71Å; L112-I167 HydrophobicContact CG-CD1 4.27Å; L112-L276 HydrophobicContact CD2-CD1 3.68Å; L112-L276 HydrophobicContact CD2-CD2 4.06Å; L112-L276 HydrophobicContact CG-CD1 3.88Å; L112-L314 HydrophobicContact CD2-CD1 4.49Å; L112-L314 HydrophobicContact CD2-CD2 4.37Å
113	L	98.2	Very high	97.3	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-28.9	-179.6	-70.3	169.8	0	0	0	113.1	L59 R61 T64 A109 Q110 Q116 A118 V120	L59-L113 HydrophobicContact CB-CD1 4.02Å; R61-L113 HydrophobicContact CG-CB 4.38Å; R61-L113 HydrophobicContact CG-CD2 4.35Å; R61-L113 PolarHBondContact NE-O 3.11Å; R61-L113 PolarHBondContact NH2-O 3.39Å; T64-L113 HydrophobicContact CG2-CD1 4.13Å; A109-L113 VanDerWaalsContact O-CG 3.32Å; A109-L113 WeakPolarHBondContact O-CG 3.43Å; A109-L113 PolarHBondContact O-N 3.16Å; Q110-L113 PolarHBondContact O-N 3.48Å; L113-Q116 CarbonylContact C-O 3.54Å; L113-Q116 VanDerWaalsContact O-O 3.13Å; L113-A118 WeakPolarHBondContact CD2-O 3.41Å; L113-V120 HydrophobicContact CD1-CG2 4.32Å; L113-V120 HydrophobicContact CD2-CG2 3.75Å; L113-V120 HydrophobicContact CG-CG2 3.72Å
114	R	97.3	Very high	97.5	Very high	180 Å²	180	30.8 Å²	30.8	68%	0.679	15%	0.146	S	C	*	.	H	α-helix	trans	-68.5	-44.8	169.5	-71.4	174.6	-155.5	153.7	7	110.8	R61 Q110 A111 L112	R61-R114 PolarHBondContact NH2-O 3.48Å; Q110-R114 VanDerWaalsContact O-CG 3.28Å; Q110-R114 WeakPolarHBondContact O-CG 3.27Å; Q110-R114 PolarHBondContact O-N 3.45Å; A111-R114 PolarHBondContact O-N 3.08Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.01Å
115	A	96.3	Very high	97.5	Very high	46 Å²	46	30 Å²	30	38%	0.38	14%	0.143	S	C	.	.	H	α-helix	trans	-71.5	-34.4	-176.5	0	0	0	0	0	113.7	A111 L112 L276 L314	A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.82Å; L112-A115 PolarHBondContact O-N 2.83Å; A115-L276 HydrophobicContact CB-CB 4.37Å; A115-L276 HydrophobicContact CB-CD2 4.49Å; A115-L314 HydrophobicContact CB-CD1 3.78Å
116	Q	96.5	Very high	97.4	Very high	69 Å²	69	29.7 Å²	29.7	32%	0.322	14%	0.141	S	C	.	.	S	Bend	trans	-147.2	145.8	-177.9	-170.3	171.9	29.8	0	0	111.6	P87 L112 L113 A118 L314	P87-Q116 HydrophobicContact CG-CG 4.4Å; L112-Q116 PolarHBondContact O-N 2.91Å; L113-Q116 CarbonylContact C-O 3.54Å; L113-Q116 VanDerWaalsContact O-O 3.13Å; Q116-A118 PolarHBondContact O-N 3.37Å; Q116-L314 HydrophobicContact CB-CD1 4.23Å
117	D	97.5	Very high	97.2	Very high	72 Å²	72	26.1 Å²	26.1	39%	0.385	13%	0.125	S	C	.	.			trans	-75.8	111.7	167.7	-161.4	9.4	0	0	0	109	R61	R61-D117 WeakPolarHBondContact CD-OD1 3.2Å; R61-D117 IonicContact NE-OD1 3.61Å
118	A	98.1	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.			trans	-154.5	162.1	-168	0	0	0	0	0	110.8	P87 K89 L113 Q116	P87-A118 HydrophobicContact CG-CB 4.13Å; P87-A118 WeakPolarHBondContact O-CA 3.44Å; P87-A118 WeakPolarHBondContact O-CB 3.4Å; K89-A118 HydrophobicContact CG-CB 4.17Å; L113-A118 WeakPolarHBondContact CD2-O 3.41Å; Q116-A118 PolarHBondContact O-N 3.37Å
119	N	98.3	Very high	96.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.3	159.1	-49.7	-66.4	0	0	0	108.1	L58 F82 N83 L86 P87 T88 K89	L58-N119 HydrophobicContact CD1-CB 4.11Å; F82-N119 HydrophobicContact CD2-CB 3.91Å; F82-N119 HydrophobicContact CE2-CB 3.83Å; F82-N119 WeakPolarHBondContact CE2-ND2 3.5Å; N83-N119 PolarHBondContact N-OD1 3.37Å; N83-N119 PolarHBondContact O-ND2 3.03Å; L86-N119 PolarHBondContact O-ND2 3.09Å; P87-N119 PolarHBondContact O-N 3.1Å; T88-N119 CarbonylContact C-O 3.5Å; T88-N119 WeakPolarHBondContact CA-O 3.5Å; T88-N119 HydrophobicContact CG2-CB 4.17Å; T88-N119 PolarHBondContact OG1-ND2 3.03Å; K89-N119 PolarHBondContact N-O 3.27Å
120	V	98.7	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.2	168.8	177.5	0	0	0	0	108.5	L59 K89 I91 A109 L112 L113 V122	L59-V120 HydrophobicContact CB-CB 4.28Å; L59-V120 PolarHBondContact N-O 2.92Å; L59-V120 PolarHBondContact O-N 2.94Å; K89-V120 HydrophobicContact CB-CG2 4.24Å; K89-V120 HydrophobicContact CG-CG2 4.48Å; K89-V120 CarbonylContact O-C 3.56Å; K89-V120 WeakPolarHBondContact O-CA 3.36Å; I91-V120 HydrophobicContact CD1-CG1 3.65Å; I91-V120 HydrophobicContact CG1-CG1 4.2Å; A109-V120 HydrophobicContact CB-CG1 3.81Å; L112-V120 HydrophobicContact CB-CG2 4.1Å; L112-V120 HydrophobicContact CD1-CG2 4.43Å; L113-V120 HydrophobicContact CD1-CG2 4.32Å; L113-V120 HydrophobicContact CD2-CG2 3.75Å; L113-V120 HydrophobicContact CG-CG2 3.72Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
121	V	98.4	Very high	95.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.6	175.4	180	0	0	0	0	108.3	Y56 L57 L58 F70 T88 K89 I90 I91 L150	Y56-V121 HydrophobicContact CD1-CG1 4.15Å; Y56-V121 HydrophobicContact CG-CG1 4.46Å; L57-V121 WeakPolarHBondContact O-CA 3.5Å; L58-V121 HydrophobicContact CD1-CG2 4.06Å; F70-V121 HydrophobicContact CD1-CG1 4.44Å; F70-V121 HydrophobicContact CD1-CG2 4.32Å; F70-V121 HydrophobicContact CE1-CG2 4.34Å; T88-V121 HydrophobicContact CG2-CG2 3.92Å; K89-V121 PolarHBondContact O-N 2.97Å; I90-V121 CarbonylContact C-O 3.26Å; I90-V121 VanDerWaalsContact CA-O 3.27Å; I90-V121 WeakPolarHBondContact CA-O 3.35Å; I90-V121 HydrophobicContact CG1-CB 4.43Å; I91-V121 PolarHBondContact N-O 2.94Å; V121-L150 HydrophobicContact CG1-CD2 4.26Å
122	V	98.4	Very high	95.5	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.6	174.2	177.3	0	0	0	0	108.5	F37 Y56 L57 I91 V105 V120	F37-V122 HydrophobicContact CE1-CG1 4.41Å; F37-V122 HydrophobicContact CE2-CG1 3.62Å; F37-V122 HydrophobicContact CZ-CG1 3.32Å; Y56-V122 WeakPolarHBondContact CA-O 3.24Å; L57-V122 HydrophobicContact CB-CB 4.18Å; L57-V122 PolarHBondContact N-O 3.23Å; L57-V122 PolarHBondContact O-N 3.46Å; I91-V122 HydrophobicContact CB-CG2 4.4Å; I91-V122 HydrophobicContact CD1-CG2 4.26Å; V105-V122 HydrophobicContact CG1-CB 4.28Å; V105-V122 HydrophobicContact CG1-CG1 3.6Å; V105-V122 HydrophobicContact CG1-CG2 3.63Å; V120-V122 HydrophobicContact CG1-CG2 4.45Å
123	V	98.4	Very high	95.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.3	172.8	-173.8	0	0	0	0	108.6	V54 Y56 I90 I91 V92 H93 V143 I147	V54-V123 HydrophobicContact CG1-CG1 3.58Å; Y56-V123 HydrophobicContact CD1-CG1 4.49Å; Y56-V123 HydrophobicContact CD1-CG2 4.1Å; Y56-V123 HydrophobicContact CE1-CG1 4.13Å; Y56-V123 HydrophobicContact CE1-CG2 4.06Å; I90-V123 HydrophobicContact CG2-CG2 3.66Å; I91-V123 PolarHBondContact O-N 3.17Å; V92-V123 HydrophobicContact CG2-CB 4.38Å; V92-V123 HydrophobicContact CG2-CG2 4.04Å; H93-V123 PolarHBondContact CD2-O 2.87Å; V123-V143 HydrophobicContact CG1-CG1 4.46Å; V123-I147 HydrophobicContact CG1-CD1 4.02Å; V123-I147 HydrophobicContact CG1-CG1 4.08Å; V123-I147 HydrophobicContact CG2-CD1 4.07Å; V123-I147 HydrophobicContact CG2-CG1 4.15Å
124	D	97.3	Very high	94.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.7	169.6	171.1	19.5	0	0	0	109.7	F37 N38 V54 Q55 H93 V126	F37-D124 WeakPolarHBondContact CA-OD2 3.46Å; F37-D124 HydrophobicContact CD1-CB 3.61Å; F37-D124 WeakPolarHBondContact CD1-OD1 3.49Å; F37-D124 HydrophobicContact CE1-CB 3.6Å; F37-D124 HydrophobicContact CG-CB 4.32Å; F37-D124 HydrophobicContact CZ-CB 4.3Å; N38-D124 WeakPolarHBondContact CB-OD2 3.49Å; N38-D124 PolarHBondContact N-OD2 2.96Å; V54-D124 CarbonylContact C-O 3.58Å; V54-D124 VanDerWaalsContact CA-O 3.3Å; V54-D124 WeakPolarHBondContact CA-O 3.41Å; Q55-D124 HydrophobicContact CG-CB 3.62Å; Q55-D124 WeakPolarHBondContact CG-OD2 3.4Å; Q55-D124 PolarHBondContact N-O 3.18Å; Q55-D124 PolarHBondContact NE2-OD2 3.28Å; Q55-D124 PolarHBondContact O-N 2.82Å; H93-D124 IonicContact NE2-OD1 3.32Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 VanDerWaalsContact OD1-CG2 3.24Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.45Å; D124-V126 PolarHBondContact OD1-N 3.33Å
125	W	96.1	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.			trans	-133.5	32	175.4	65.5	-71.4	0	0	0	110.5	V54 H93 Y127 G128 A129 V143 L171 V175	V54-W125 HydrophobicContact CG2-CB 4.11Å; H93-W125 AromaticContact CD2-CD1 3.69Å; H93-W125 AromaticContact CD2-NE1 3.81Å; H93-W125 AromaticContact CE1-CD1 3.41Å; H93-W125 VanDerWaalsContact CE1-CD1 3.41Å; H93-W125 AromaticContact CE1-CE2 3.84Å; H93-W125 AromaticContact CE1-CG 3.84Å; H93-W125 AromaticContact CE1-NE1 3.38Å; H93-W125 PolarHBondContact CE1-NE1 3.09Å; H93-W125 AromaticContact CG-NE1 3.82Å; H93-W125 AromaticContact ND1-NE1 3.56Å; H93-W125 AromaticContact NE2-CD1 3.2Å; H93-W125 AromaticContact NE2-CG 3.83Å; H93-W125 PolarHBondContact NE2-N 3.06Å; H93-W125 VanDerWaalsContact NE2-N 3.13Å; H93-W125 AromaticContact NE2-NE1 3.57Å; H93-W125 VanDerWaalsContact O-CE2 3.3Å; H93-W125 VanDerWaalsContact O-CZ2 3.23Å; H93-W125 WeakPolarHBondContact O-CZ2 3.37Å; H93-W125 PolarHBondContact O-NE1 3.36Å; W125-Y127 PolarHBondContact O-N 3.38Å; W125-Y127 VanDerWaalsContact O-N 3.14Å; W125-G128 WeakPolarHBondContact CZ3-O 3.39Å; W125-G128 CarbonylContact O-C 3.56Å; W125-G128 WeakPolarHBondContact O-CA 3.41Å; W125-G128 PolarHBondContact O-N 2.9Å; W125-A129 HydrophobicContact CD2-CB 3.84Å; W125-A129 HydrophobicContact CE3-CB 3.58Å; W125-A129 HydrophobicContact CH2-CB 3.76Å; W125-A129 HydrophobicContact CZ2-CB 3.97Å; W125-A129 HydrophobicContact CZ3-CB 3.55Å; W125-A129 PolarHBondContact O-N 3.22Å; W125-A129 VanDerWaalsContact O-N 3.09Å; W125-V143 HydrophobicContact CB-CG1 4.21Å; W125-V143 HydrophobicContact CB-CG2 4.18Å; W125-V143 HydrophobicContact CD2-CG1 4.2Å; W125-V143 HydrophobicContact CD2-CG2 3.87Å; W125-V143 HydrophobicContact CE3-CG2 3.46Å; W125-V143 VanDerWaalsContact CE3-CG2 3.46Å; W125-V143 HydrophobicContact CG-CG1 4.03Å; W125-V143 HydrophobicContact CG-CG2 4.2Å; W125-V143 HydrophobicContact CZ3-CG2 4.06Å; W125-L171 HydrophobicContact CH2-CB 4.46Å; W125-L171 HydrophobicContact CH2-CD2 3.59Å; W125-L171 HydrophobicContact CH2-CG 3.79Å; W125-L171 HydrophobicContact CZ2-CD2 4.48Å; W125-L171 HydrophobicContact CZ2-CG 4.35Å; W125-L171 HydrophobicContact CZ3-CD2 4.39Å; W125-V175 HydrophobicContact CH2-CG2 4.27Å; W125-V175 HydrophobicContact CZ2-CG2 4.05Å
126	V	94.1	Very high	93.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-49.8	-42.7	-176.6	164.8	0	0	0	0	111.8	F37 T40 R96 G99 D124 G128 A129 S130	F37-V126 HydrophobicContact CD1-CG2 3.81Å; F37-V126 HydrophobicContact CE1-CG2 4.33Å; T40-V126 HydrophobicContact CG2-CG1 4.07Å; R96-V126 HydrophobicContact CG-CG2 4.49Å; G99-V126 WeakPolarHBondContact O-CG1 3.27Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 VanDerWaalsContact OD1-CG2 3.24Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.45Å; D124-V126 PolarHBondContact OD1-N 3.33Å; V126-G128 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.76Å; V126-A129 PolarHBondContact O-N 3.24Å; V126-A129 VanDerWaalsContact O-N 3.1Å; V126-S130 WeakPolarHBondContact O-CB 3.39Å; V126-S130 PolarHBondContact O-N 3.4Å; V126-S130 PolarHBondContact O-OG 3.33Å
127	Y	89.4	Confident	93.4	Very high	28 Å²	28	20.4 Å²	20.4	11%	0.11	11%	0.108	C	C	.	.	H	α-helix	trans	-56.5	-41.3	176.3	-84.4	-81.8	0	0	0	113.4	N38 N39 T40 Q53 W125 A129	N38-Y127 HydrophobicContact CB-CD2 4.14Å; N38-Y127 HydrophobicContact CB-CE2 3.86Å; N39-Y127 PolarHBondContact O-OH 2.89Å; T40-Y127 VanDerWaalsContact CB-CE1 3.4Å; T40-Y127 HydrophobicContact CG2-CD1 4.18Å; T40-Y127 HydrophobicContact CG2-CE1 4.4Å; T40-Y127 WeakPolarHBondContact OG1-CD1 3.36Å; T40-Y127 WeakPolarHBondContact OG1-CE1 3.47Å; Q53-Y127 HydrophobicContact CB-CD2 4.24Å; W125-Y127 PolarHBondContact O-N 3.38Å; W125-Y127 VanDerWaalsContact O-N 3.14Å; Y127-A129 VanDerWaalsContact C-N 3.35Å
128	G	90.2	Very high	93.1	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-81.8	-10.4	179	0	0	0	0	0	114.7	W125 V126 V136 N139	W125-G128 WeakPolarHBondContact CZ3-O 3.39Å; W125-G128 CarbonylContact O-C 3.56Å; W125-G128 WeakPolarHBondContact O-CA 3.41Å; W125-G128 PolarHBondContact O-N 2.9Å; V126-G128 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.76Å; G128-V136 WeakPolarHBondContact O-CB 3.39Å; G128-N139 PolarHBondContact O-ND2 2.69Å
129	A	92.3	Very high	92.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-107.6	0	-173.6	0	0	0	0	0	113.8	Y95 R96 W125 V126 Y127	Y95-A129 CarbonylContact C-O 3.52Å; Y95-A129 WeakPolarHBondContact CA-O 3.44Å; Y95-A129 WeakPolarHBondContact CD2-O 3.37Å; R96-A129 HydrophobicContact CG-CB 4.27Å; R96-A129 PolarHBondContact N-O 3.5Å; W125-A129 HydrophobicContact CD2-CB 3.84Å; W125-A129 HydrophobicContact CE3-CB 3.58Å; W125-A129 HydrophobicContact CH2-CB 3.76Å; W125-A129 HydrophobicContact CZ2-CB 3.97Å; W125-A129 HydrophobicContact CZ3-CB 3.55Å; W125-A129 PolarHBondContact O-N 3.22Å; W125-A129 VanDerWaalsContact O-N 3.09Å; V126-A129 PolarHBondContact O-N 3.24Å; V126-A129 VanDerWaalsContact O-N 3.1Å; Y127-A129 VanDerWaalsContact C-N 3.35Å
130	S	92.1	Very high	92.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-108.9	165.4	-162.4	-62.1	0	0	0	0	115.5	R96 G99 V126 V136	R96-S130 WeakPolarHBondContact CB-OG 3.3Å; R96-S130 WeakPolarHBondContact O-CA 3.47Å; R96-S130 WeakPolarHBondContact O-CB 3.41Å; R96-S130 PolarHBondContact O-OG 2.84Å; G99-S130 VanDerWaalsContact CA-OG 3.29Å; G99-S130 WeakPolarHBondContact CA-OG 3.5Å; V126-S130 WeakPolarHBondContact O-CB 3.39Å; V126-S130 PolarHBondContact O-N 3.4Å; V126-S130 PolarHBondContact O-OG 3.33Å; S130-V136 WeakPolarHBondContact O-CG1 3.39Å
131	F	89.7	Confident	92.6	Very high	25 Å²	25	27.3 Å²	27.3	11%	0.11	14%	0.138	C	C	.	.	S	Bend	trans	69.4	-129.4	176	-45.3	-68	0	0	0	114	T40 T41 W42 Y45 Y95 R96 Y133	T40-F131 HydrophobicContact CG2-CE2 3.64Å; T40-F131 HydrophobicContact CG2-CZ 3.71Å; T41-F131 WeakPolarHBondContact O-CZ 3.37Å; W42-F131 HydrophobicContact CB-CD1 4.24Å; W42-F131 HydrophobicContact CB-CE1 3.84Å; W42-F131 HydrophobicContact CB-CZ 4.39Å; W42-F131 HydrophobicContact CD2-CD1 4.42Å; W42-F131 HydrophobicContact CE3-CB 3.74Å; W42-F131 AromaticContact CE3-CD1 3.58Å; W42-F131 HydrophobicContact CE3-CD1 3.58Å; W42-F131 AromaticContact CE3-CD2 3.97Å; W42-F131 HydrophobicContact CE3-CD2 3.97Å; W42-F131 HydrophobicContact CE3-CE1 4.17Å; W42-F131 AromaticContact CE3-CG 3.45Å; W42-F131 HydrophobicContact CE3-CG 3.45Å; W42-F131 VanDerWaalsContact CE3-CG 3.45Å; W42-F131 HydrophobicContact CZ3-CB 3.6Å; W42-F131 HydrophobicContact CZ3-CD1 4.33Å; W42-F131 HydrophobicContact CZ3-CD2 4.3Å; W42-F131 AromaticContact CZ3-CG 3.81Å; W42-F131 HydrophobicContact CZ3-CG 3.81Å; Y45-F131 AromaticContact CD1-CD2 3.81Å; Y45-F131 HydrophobicContact CD1-CD2 3.81Å; Y45-F131 HydrophobicContact CD1-CE2 4.22Å; Y45-F131 AromaticContact CD2-CD2 3.66Å; Y45-F131 HydrophobicContact CD2-CD2 3.66Å; Y45-F131 AromaticContact CD2-CE2 3.71Å; Y45-F131 HydrophobicContact CD2-CE2 3.71Å; Y45-F131 HydrophobicContact CE1-CD2 4.32Å; Y45-F131 HydrophobicContact CE2-CD2 4.18Å; Y45-F131 AromaticContact CG-CD2 3.46Å; Y45-F131 HydrophobicContact CG-CD2 3.46Å; Y45-F131 VanDerWaalsContact CG-CD2 3.46Å; Y45-F131 AromaticContact CG-CE2 3.48Å; Y45-F131 HydrophobicContact CG-CE2 3.48Å; Y45-F131 VanDerWaalsContact CG-CE2 3.48Å; Y95-F131 WeakPolarHBondContact CE2-O 3.35Å; Y95-F131 PolarHBondContact OH-O 3.12Å; R96-F131 PolarHBondContact O-N 3.37Å; F131-Y133 PolarHBondContact O-N 3.03Å
132	A	89.3	Confident	92.5	Very high	35 Å²	35	32 Å²	32	29%	0.289	16%	0.16	S	C	.	.			trans	-77.3	115.9	-170.2	0	0	0	0	0	111.2	N134 L135 V136	A132-N134 VanDerWaalsContact C-N 3.29Å; A132-N134 PolarHBondContact O-N 3.05Å; A132-L135 HydrophobicContact CB-CB 4.41Å; A132-L135 HydrophobicContact CB-CD1 3.88Å; A132-L135 HydrophobicContact CB-CG 3.94Å; A132-L135 WeakPolarHBondContact O-CB 3.47Å; A132-L135 PolarHBondContact O-N 3.49Å; A132-V136 PolarHBondContact O-N 3.34Å
133	Y	90.4	Very high	92.4	Very high	46 Å²	46	32 Å²	32	18%	0.18	16%	0.159	C	C	.	.	H	α-helix	trans	-48.6	-46.5	-175.9	-174.6	-96.2	0	0	0	113.6	Y95 F131 L135 V136 V137 L171 P198 M199	Y95-Y133 HydrophobicContact CD1-CD2 4.17Å; Y95-Y133 AromaticContact CD2-CD2 3.77Å; Y95-Y133 HydrophobicContact CD2-CD2 3.77Å; Y95-Y133 HydrophobicContact CE1-CD2 4.45Å; Y95-Y133 HydrophobicContact CE2-CD2 4.09Å; Y95-Y133 AromaticContact CG-CD2 3.8Å; Y95-Y133 HydrophobicContact CG-CD2 3.8Å; Y95-Y133 HydrophobicContact CG-CE2 4.4Å; F131-Y133 PolarHBondContact O-N 3.03Å; Y133-L135 PolarHBondContact O-N 2.76Å; Y133-L135 VanDerWaalsContact O-N 3.12Å; Y133-V136 PolarHBondContact O-N 3.35Å; Y133-V136 VanDerWaalsContact O-N 3.1Å; Y133-V137 HydrophobicContact CD1-CB 4.32Å; Y133-V137 HydrophobicContact CE1-CB 3.98Å; Y133-V137 HydrophobicContact CE1-CG2 3.87Å; Y133-V137 WeakPolarHBondContact O-CB 3.32Å; Y133-V137 PolarHBondContact O-N 3.39Å; Y133-L171 HydrophobicContact CE2-CD2 4.47Å; Y133-P198 HydrophobicContact CE1-CB 3.81Å; Y133-P198 PolarHBondContact OH-O 3.16Å; Y133-M199 HydrophobicContact CE1-CG 4.1Å
134	N	89.1	Confident	92.4	Very high	117 Å²	117	32 Å²	32	63%	0.626	16%	0.159	S	C	*	.	H	α-helix	trans	-64	-16.4	179.9	66.5	-61.8	0	0	0	114.4	A132	A132-N134 VanDerWaalsContact C-N 3.29Å; A132-N134 PolarHBondContact O-N 3.05Å
135	L	85.3	Confident	92.5	Very high	95 Å²	95	34.6 Å²	34.6	50%	0.497	18%	0.176	S	C	.	.	H	α-helix	trans	-92.7	-26.9	175.5	-59.4	-176.7	0	0	0	112.5	A132 Y133	A132-L135 HydrophobicContact CB-CB 4.41Å; A132-L135 HydrophobicContact CB-CD1 3.88Å; A132-L135 HydrophobicContact CB-CG 3.94Å; A132-L135 WeakPolarHBondContact O-CB 3.47Å; A132-L135 PolarHBondContact O-N 3.49Å; Y133-L135 PolarHBondContact O-N 2.76Å; Y133-L135 VanDerWaalsContact O-N 3.12Å
136	V	87.8	Confident	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-107.7	-16.7	-171.3	-64.7	0	0	0	0	114.3	Y95 G128 S130 A132 Y133 E138 N139	Y95-V136 HydrophobicContact CD2-CG2 3.86Å; Y95-V136 HydrophobicContact CE2-CG2 3.98Å; G128-V136 WeakPolarHBondContact O-CB 3.39Å; S130-V136 WeakPolarHBondContact O-CG1 3.39Å; A132-V136 PolarHBondContact O-N 3.34Å; Y133-V136 PolarHBondContact O-N 3.35Å; Y133-V136 VanDerWaalsContact O-N 3.1Å; V136-E138 PolarHBondContact O-N 3.41Å; V136-N139 VanDerWaalsContact O-CB 3.31Å; V136-N139 WeakPolarHBondContact O-CB 3.42Å; V136-N139 PolarHBondContact O-N 2.83Å
137	V	91.5	Very high	92.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40	179.5	64.9	0	0	0	0	111.7	Y133 N139 Y140 L171 M199 F200	Y133-V137 HydrophobicContact CD1-CB 4.32Å; Y133-V137 HydrophobicContact CE1-CB 3.98Å; Y133-V137 HydrophobicContact CE1-CG2 3.87Å; Y133-V137 WeakPolarHBondContact O-CB 3.32Å; Y133-V137 PolarHBondContact O-N 3.39Å; V137-N139 PolarHBondContact O-N 3.4Å; V137-Y140 WeakPolarHBondContact O-CD1 3.24Å; V137-Y140 PolarHBondContact O-N 2.69Å; V137-L171 HydrophobicContact CG2-CD1 4.15Å; V137-M199 HydrophobicContact CG1-CE 4.44Å; V137-M199 HydrophobicContact CG1-CG 4.12Å; V137-M199 HydrophobicContact CG2-CB 4.01Å; V137-M199 HydrophobicContact CG2-CG 4.06Å; V137-F200 HydrophobicContact CG2-CE2 3.65Å; V137-F200 HydrophobicContact CG2-CZ 3.9Å
138	E	90.4	Very high	93.1	Very high	111 Å²	111	36.7 Å²	36.7	52%	0.519	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.2	-179.9	-63.2	-61.4	152.9	0	0	114.1	V136 Y140	V136-E138 PolarHBondContact O-N 3.41Å; E138-Y140 PolarHBondContact O-N 3.49Å; E138-Y140 VanDerWaalsContact O-N 3.14Å
139	N	93.9	Very high	93.4	Very high	33 Å²	33	40.1 Å²	40.1	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-15.8	-179.3	-66.9	-27.5	0	0	0	112.7	L52 G128 V136 V137 K141 E142 V143	L52-N139 HydrophobicContact CD1-CB 4.27Å; G128-N139 PolarHBondContact O-ND2 2.69Å; V136-N139 VanDerWaalsContact O-CB 3.31Å; V136-N139 WeakPolarHBondContact O-CB 3.42Å; V136-N139 PolarHBondContact O-N 2.83Å; V137-N139 PolarHBondContact O-N 3.4Å; N139-K141 PolarHBondContact O-N 2.64Å; N139-E142 PolarHBondContact O-N 3.39Å; N139-E142 VanDerWaalsContact O-N 3.12Å; N139-V143 VanDerWaalsContact O-CG2 3.32Å; N139-V143 WeakPolarHBondContact O-CG2 3.37Å; N139-V143 PolarHBondContact O-N 3.4Å
140	Y	95.3	Very high	93.6	Very high	10 Å²	10	40.4 Å²	40.4	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-36.7	-174.6	86.2	-83.3	0	0	0	113	V137 E138 A144 H174 F178 F200 D207	V137-Y140 WeakPolarHBondContact O-CD1 3.24Å; V137-Y140 PolarHBondContact O-N 2.69Å; E138-Y140 PolarHBondContact O-N 3.49Å; E138-Y140 VanDerWaalsContact O-N 3.14Å; Y140-A144 WeakPolarHBondContact O-CB 3.46Å; Y140-A144 PolarHBondContact O-N 3.07Å; Y140-H174 HydrophobicContact CD2-CB 4.23Å; Y140-F178 HydrophobicContact CD2-CB 4.27Å; Y140-F178 HydrophobicContact CE2-CB 4Å; Y140-F178 HydrophobicContact CE2-CD2 4.23Å; Y140-F178 HydrophobicContact CE2-CG 4.17Å; Y140-F200 HydrophobicContact CD1-CE1 4.31Å; Y140-F200 HydrophobicContact CD1-CZ 4.14Å; Y140-F200 HydrophobicContact CD2-CE1 4.49Å; Y140-F200 AromaticContact CE1-CE1 3.96Å; Y140-F200 HydrophobicContact CE1-CE1 3.96Å; Y140-F200 HydrophobicContact CE1-CZ 4.19Å; Y140-F200 HydrophobicContact CE2-CE1 4.21Å; Y140-F200 HydrophobicContact CG-CZ 4.37Å; Y140-F200 AromaticContact CZ-CE1 3.9Å; Y140-D207 WeakPolarHBondContact OH-CA 3.35Å; Y140-D207 PolarHBondContact OH-O 3.5Å
141	K	95.7	Very high	93.9	Very high	64 Å²	64	40.4 Å²	40.4	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-45.1	177.7	-66.3	-174.1	178.6	179	0	111.9	N139 V143 A144 V145 F178 D207	N139-K141 PolarHBondContact O-N 2.64Å; K141-V143 VanDerWaalsContact C-N 3.34Å; K141-V143 PolarHBondContact O-N 2.72Å; K141-A144 WeakPolarHBondContact O-CB 3.29Å; K141-A144 PolarHBondContact O-N 2.92Å; K141-V145 WeakPolarHBondContact O-CG2 3.22Å; K141-V145 PolarHBondContact O-N 3.14Å; K141-F178 HydrophobicContact CB-CD1 4.13Å; K141-F178 HydrophobicContact CB-CE1 3.83Å; K141-F178 HydrophobicContact CB-CZ 4.28Å; K141-F178 HydrophobicContact CD-CE1 4.3Å; K141-F178 HydrophobicContact CD-CE2 4.14Å; K141-F178 HydrophobicContact CD-CZ 3.87Å; K141-F178 HydrophobicContact CG-CD1 4.08Å; K141-F178 HydrophobicContact CG-CD2 4.33Å; K141-F178 HydrophobicContact CG-CE1 3.85Å; K141-F178 HydrophobicContact CG-CE2 4.13Å; K141-F178 HydrophobicContact CG-CG 4.3Å; K141-F178 HydrophobicContact CG-CZ 3.88Å; K141-D207 VanDerWaalsContact CE-OD1 3.24Å; K141-D207 WeakPolarHBondContact CE-OD1 3.36Å; K141-D207 IonicContact NZ-OD1 3.89Å; K141-D207 PolarHBondContact NZ-OD1 3.22Å
142	E	96.1	Very high	94.2	Very high	100 Å²	100	42.6 Å²	42.6	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-39.2	179.1	-175.6	64.3	-158.1	0	0	110.9	L52 N139 A144 V145 Q146	L52-E142 HydrophobicContact CB-CG 4.47Å; L52-E142 HydrophobicContact CD2-CB 3.87Å; L52-E142 HydrophobicContact CD2-CG 3.51Å; N139-E142 PolarHBondContact O-N 3.39Å; N139-E142 VanDerWaalsContact O-N 3.12Å; E142-A144 PolarHBondContact O-N 2.02Å; E142-V145 PolarHBondContact O-N 3.3Å; E142-Q146 WeakPolarHBondContact O-CG 3.24Å; E142-Q146 PolarHBondContact O-N 2.79Å
143	V	97.3	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-47.2	172.2	178.6	0	0	0	0	110.4	L52 V54 V123 W125 N139 K141 V145 Q146 I147 V175	L52-V143 HydrophobicContact CD1-CG2 3.71Å; L52-V143 HydrophobicContact CD2-CB 4.28Å; L52-V143 HydrophobicContact CD2-CG2 3.57Å; L52-V143 HydrophobicContact CG-CG2 4.2Å; V54-V143 HydrophobicContact CG2-CG1 4.25Å; V54-V143 HydrophobicContact CG2-CG2 4.39Å; V123-V143 HydrophobicContact CG1-CG1 4.46Å; W125-V143 HydrophobicContact CB-CG1 4.21Å; W125-V143 HydrophobicContact CB-CG2 4.18Å; W125-V143 HydrophobicContact CD2-CG1 4.2Å; W125-V143 HydrophobicContact CD2-CG2 3.87Å; W125-V143 HydrophobicContact CE3-CG2 3.46Å; W125-V143 VanDerWaalsContact CE3-CG2 3.46Å; W125-V143 HydrophobicContact CG-CG1 4.03Å; W125-V143 HydrophobicContact CG-CG2 4.2Å; W125-V143 HydrophobicContact CZ3-CG2 4.06Å; N139-V143 VanDerWaalsContact O-CG2 3.32Å; N139-V143 WeakPolarHBondContact O-CG2 3.37Å; N139-V143 PolarHBondContact O-N 3.4Å; K141-V143 VanDerWaalsContact C-N 3.34Å; K141-V143 PolarHBondContact O-N 2.72Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.19Å; V143-Q146 PolarHBondContact O-N 3.47Å; V143-Q146 VanDerWaalsContact O-N 3.16Å; V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 WeakPolarHBondContact O-CG1 3.26Å; V143-I147 PolarHBondContact O-N 2.86Å; V143-V175 HydrophobicContact CB-CG1 4.18Å; V143-V175 HydrophobicContact CB-CG2 4.47Å; V143-V175 HydrophobicContact CG1-CG1 3.7Å; V143-V175 HydrophobicContact CG1-CG2 4.43Å
144	A	98.2	Very high	94.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-38.5	178.2	0	0	0	0	0	112.6	Y140 K141 E142 I147 S148 V175 F178 V179	Y140-A144 WeakPolarHBondContact O-CB 3.46Å; Y140-A144 PolarHBondContact O-N 3.07Å; K141-A144 WeakPolarHBondContact O-CB 3.29Å; K141-A144 PolarHBondContact O-N 2.92Å; E142-A144 PolarHBondContact O-N 2.02Å; A144-I147 PolarHBondContact O-N 2.84Å; A144-S148 WeakPolarHBondContact O-CB 3Å; A144-S148 PolarHBondContact O-N 2.67Å; A144-V175 HydrophobicContact CB-CG1 4.2Å; A144-F178 HydrophobicContact CB-CB 3.93Å; A144-F178 HydrophobicContact CB-CD1 3.67Å; A144-F178 HydrophobicContact CB-CG 4.28Å; A144-V179 HydrophobicContact CB-CG2 3.62Å
145	V	97.8	Very high	95	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.345	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-47.1	171.8	170.3	0	0	0	0	110.7	K141 E142 V143 I147 S148 V149 L182	K141-V145 WeakPolarHBondContact O-CG2 3.22Å; K141-V145 PolarHBondContact O-N 3.14Å; E142-V145 PolarHBondContact O-N 3.3Å; V143-V145 VanDerWaalsContact C-N 3.33Å; V143-V145 PolarHBondContact O-N 3.19Å; V145-I147 VanDerWaalsContact C-N 3.33Å; V145-I147 PolarHBondContact O-N 2.79Å; V145-S148 WeakPolarHBondContact O-CB 3.47Å; V145-S148 PolarHBondContact O-N 3.14Å; V145-S148 VanDerWaalsContact O-N 3.14Å; V145-S148 PolarHBondContact O-OG 2.84Å; V145-V149 PolarHBondContact O-N 3.41Å; V145-V149 VanDerWaalsContact O-N 3.13Å; V145-L182 HydrophobicContact CG2-CD1 4.14Å
146	Q	97.1	Very high	95.4	Very high	55 Å²	55	40.4 Å²	40.4	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-38.9	177.4	-66.9	-168.6	21.3	0	0	112.6	V54 Y56 E142 V143 S148 V149 L150	V54-Q146 HydrophobicContact CB-CB 4.49Å; V54-Q146 VanDerWaalsContact CB-OE1 3.24Å; V54-Q146 HydrophobicContact CG2-CB 4.28Å; Y56-Q146 PolarHBondContact OH-O 3.33Å; E142-Q146 WeakPolarHBondContact O-CG 3.24Å; E142-Q146 PolarHBondContact O-N 2.79Å; V143-Q146 PolarHBondContact O-N 3.47Å; V143-Q146 VanDerWaalsContact O-N 3.16Å; Q146-S148 VanDerWaalsContact C-N 3.35Å; Q146-V149 PolarHBondContact O-N 3.31Å; Q146-L150 PolarHBondContact O-N 3.44Å
147	I	98	Very high	95.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-40.6	174.2	-61.9	162.7	0	0	0	110.5	Y56 V92 V123 V143 A144 V145 V149 L150 I151 F166 V175 V179	Y56-I147 HydrophobicContact CE1-CG1 4.19Å; Y56-I147 WeakPolarHBondContact OH-CA 3.36Å; Y56-I147 PolarHBondContact OH-N 2.96Å; V92-I147 HydrophobicContact CG2-CD1 4.44Å; V123-I147 HydrophobicContact CG1-CD1 4.02Å; V123-I147 HydrophobicContact CG1-CG1 4.08Å; V123-I147 HydrophobicContact CG2-CD1 4.07Å; V123-I147 HydrophobicContact CG2-CG1 4.15Å; V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 WeakPolarHBondContact O-CG1 3.26Å; V143-I147 PolarHBondContact O-N 2.86Å; A144-I147 PolarHBondContact O-N 2.84Å; V145-I147 VanDerWaalsContact C-N 3.33Å; V145-I147 PolarHBondContact O-N 2.79Å; I147-V149 PolarHBondContact O-N 3.13Å; I147-L150 WeakPolarHBondContact O-CA 2.82Å; I147-L150 WeakPolarHBondContact O-CB 3.35Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-I151 HydrophobicContact CG2-CG1 4.18Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.15Å; I147-F166 HydrophobicContact CG2-CE1 3.79Å; I147-F166 HydrophobicContact CG2-CZ 4.05Å; I147-V175 HydrophobicContact CD1-CG1 3.52Å; I147-V179 HydrophobicContact CB-CG2 3.91Å; I147-V179 HydrophobicContact CD1-CG2 4.16Å; I147-V179 HydrophobicContact CG2-CG1 4.43Å; I147-V179 HydrophobicContact CG2-CG2 4.01Å
148	S	98.1	Very high	95.7	Very high	15 Å²	15	46.7 Å²	46.7	11%	0.105	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-32.9	178.1	80.5	0	0	0	0	112.9	A144 V145 Q146 I151 N152	A144-S148 WeakPolarHBondContact O-CB 3Å; A144-S148 PolarHBondContact O-N 2.67Å; V145-S148 WeakPolarHBondContact O-CB 3.47Å; V145-S148 PolarHBondContact O-N 3.14Å; V145-S148 VanDerWaalsContact O-N 3.14Å; V145-S148 PolarHBondContact O-OG 2.84Å; Q146-S148 VanDerWaalsContact C-N 3.35Å; S148-I151 PolarHBondContact O-N 2.86Å; S148-N152 WeakPolarHBondContact O-CB 3.45Å; S148-N152 PolarHBondContact O-N 3.02Å; S148-N152 PolarHBondContact O-ND2 3.45Å
149	V	96.9	Very high	95.9	Very high	75 Å²	75	41.7 Å²	41.7	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-45	173.4	174.3	0	0	0	0	110.2	V145 Q146 I147 N152 Q153	V145-V149 PolarHBondContact O-N 3.41Å; V145-V149 VanDerWaalsContact O-N 3.13Å; Q146-V149 PolarHBondContact O-N 3.31Å; I147-V149 PolarHBondContact O-N 3.13Å; V149-N152 PolarHBondContact O-N 3.48Å; V149-Q153 WeakPolarHBondContact O-CG 3.49Å; V149-Q153 PolarHBondContact O-N 2.94Å; V149-Q153 VanDerWaalsContact O-N 3.1Å
150	L	96	Very high	96.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-46.9	174.6	178.4	67.2	0	0	0	111.4	Y56 F70 V121 Q146 I147 N152 Q153 L154	Y56-L150 HydrophobicContact CD1-CD2 3.6Å; Y56-L150 HydrophobicContact CD2-CD2 3.92Å; Y56-L150 HydrophobicContact CE1-CD2 3.69Å; Y56-L150 HydrophobicContact CE2-CB 4.21Å; Y56-L150 HydrophobicContact CE2-CD2 4Å; Y56-L150 HydrophobicContact CG-CD2 3.71Å; F70-L150 HydrophobicContact CD1-CD1 4.21Å; F70-L150 HydrophobicContact CD1-CD2 4.42Å; F70-L150 HydrophobicContact CE1-CD1 3.89Å; F70-L150 HydrophobicContact CE1-CD2 4.43Å; V121-L150 HydrophobicContact CG1-CD2 4.26Å; Q146-L150 PolarHBondContact O-N 3.44Å; I147-L150 WeakPolarHBondContact O-CA 2.82Å; I147-L150 WeakPolarHBondContact O-CB 3.35Å; I147-L150 PolarHBondContact O-N 3.34Å; L150-N152 VanDerWaalsContact C-N 3.34Å; L150-N152 PolarHBondContact O-N 2.89Å; L150-Q153 WeakPolarHBondContact O-CB 3.45Å; L150-Q153 PolarHBondContact O-N 2.9Å; L150-Q153 VanDerWaalsContact O-N 3.09Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.26Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CG 3.36Å; L150-L154 PolarHBondContact O-N 3.43Å
151	I	97.6	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-44.8	179.4	-64	-53.9	0	0	0	111.5	I90 I147 S148 Q153 L154 Q155 L161 F164 F166 F183	I90-I151 HydrophobicContact CD1-CD1 3.43Å; I90-I151 VanDerWaalsContact CD1-CD1 3.43Å; I147-I151 HydrophobicContact CG2-CG1 4.18Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.15Å; S148-I151 PolarHBondContact O-N 2.86Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.13Å; I151-L154 HydrophobicContact CD1-CD1 4.35Å; I151-L154 WeakPolarHBondContact O-CB 3.49Å; I151-L154 PolarHBondContact O-N 2.92Å; I151-L154 VanDerWaalsContact O-N 3.12Å; I151-Q155 WeakPolarHBondContact O-CG 3.25Å; I151-Q155 PolarHBondContact O-N 3.16Å; I151-L161 HydrophobicContact CG2-CD2 3.67Å; I151-F164 HydrophobicContact CD1-CD1 3.84Å; I151-F164 HydrophobicContact CD1-CD2 4.31Å; I151-F164 HydrophobicContact CD1-CE1 3.74Å; I151-F164 HydrophobicContact CD1-CE2 4.24Å; I151-F164 HydrophobicContact CD1-CG 4.15Å; I151-F164 HydrophobicContact CD1-CZ 3.96Å; I151-F164 HydrophobicContact CG2-CD2 4.19Å; I151-F164 HydrophobicContact CG2-CE2 3.84Å; I151-F164 HydrophobicContact CG2-CZ 4.34Å; I151-F166 HydrophobicContact CD1-CE2 4.45Å; I151-F166 HydrophobicContact CD1-CZ 3.98Å; I151-F166 HydrophobicContact CG1-CZ 4.08Å; I151-F183 HydrophobicContact CB-CE2 3.7Å; I151-F183 HydrophobicContact CB-CZ 3.56Å; I151-F183 HydrophobicContact CG1-CE2 4.14Å; I151-F183 HydrophobicContact CG1-CZ 4.49Å; I151-F183 HydrophobicContact CG2-CD2 4.35Å; I151-F183 HydrophobicContact CG2-CE1 3.94Å; I151-F183 HydrophobicContact CG2-CE2 3.6Å; I151-F183 HydrophobicContact CG2-CZ 3.38Å
152	N	96.9	Very high	96.4	Very high	71 Å²	71	49.6 Å²	49.6	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-39.8	175.2	-79.6	-56.7	0	0	0	112.1	S148 V149 L150 Q155 N156	S148-N152 WeakPolarHBondContact O-CB 3.45Å; S148-N152 PolarHBondContact O-N 3.02Å; S148-N152 PolarHBondContact O-ND2 3.45Å; V149-N152 PolarHBondContact O-N 3.48Å; L150-N152 VanDerWaalsContact C-N 3.34Å; L150-N152 PolarHBondContact O-N 2.89Å; N152-Q155 PolarHBondContact O-N 3.02Å; N152-Q155 PolarHBondContact OD1-OE1 3.13Å; N152-N156 VanDerWaalsContact O-CG 3.29Å; N152-N156 PolarHBondContact O-N 3.16Å; N152-N156 PolarHBondContact O-ND2 3.31Å
153	Q	94.7	Very high	96.5	Very high	40 Å²	40	46.4 Å²	46.4	19%	0.187	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-42	174.8	-68.5	169.4	-11.2	0	0	111.8	Q72 L75 V149 L150 I151 Q155 N156 H157	Q72-Q153 HydrophobicContact CG-CG 4.38Å; L75-Q153 HydrophobicContact CD1-CB 4.19Å; V149-Q153 WeakPolarHBondContact O-CG 3.49Å; V149-Q153 PolarHBondContact O-N 2.94Å; V149-Q153 VanDerWaalsContact O-N 3.1Å; L150-Q153 WeakPolarHBondContact O-CB 3.45Å; L150-Q153 PolarHBondContact O-N 2.9Å; L150-Q153 VanDerWaalsContact O-N 3.09Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.13Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q153-N156 PolarHBondContact O-N 3.26Å; Q153-H157 PolarHBondContact O-N 2.94Å; Q153-H157 VanDerWaalsContact O-N 3.12Å
154	L	95.2	Very high	96.5	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-37.3	176.5	-66.3	-178.7	0	0	0	112.1	F70 L75 F82 L150 I151 H157 G158 C159 F164	F70-L154 HydrophobicContact CE1-CD2 4Å; F70-L154 HydrophobicContact CZ-CD2 3.8Å; L75-L154 HydrophobicContact CD1-CD2 4.12Å; L75-L154 HydrophobicContact CD2-CD2 3.76Å; F82-L154 HydrophobicContact CE1-CD2 3.86Å; F82-L154 HydrophobicContact CE2-CD2 4.07Å; F82-L154 HydrophobicContact CZ-CD1 4.42Å; F82-L154 HydrophobicContact CZ-CD2 3.54Å; F82-L154 HydrophobicContact CZ-CG 4.49Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 4.26Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CG 3.36Å; L150-L154 PolarHBondContact O-N 3.43Å; I151-L154 HydrophobicContact CD1-CD1 4.35Å; I151-L154 WeakPolarHBondContact O-CB 3.49Å; I151-L154 PolarHBondContact O-N 2.92Å; I151-L154 VanDerWaalsContact O-N 3.12Å; L154-H157 CarbonylContact O-C 3.54Å; L154-H157 WeakPolarHBondContact O-CA 3.5Å; L154-H157 WeakPolarHBondContact O-CB 3.48Å; L154-H157 PolarHBondContact O-N 3.14Å; L154-H157 VanDerWaalsContact O-N 3.11Å; L154-G158 PolarHBondContact O-N 2.86Å; L154-C159 HydrophobicContact CB-CB 4.18Å; L154-C159 VanDerWaalsContact O-CB 3.3Å; L154-C159 WeakPolarHBondContact O-CB 3.34Å; L154-C159 PolarHBondContact O-N 2.96Å; L154-C159 PolarHBondContact O-SG 3.49Å; L154-F164 HydrophobicContact CB-CE1 4.4Å; L154-F164 HydrophobicContact CB-CZ 3.79Å; L154-F164 HydrophobicContact CD1-CE1 3.6Å; L154-F164 HydrophobicContact CD1-CZ 3.86Å; L154-F164 HydrophobicContact CG-CZ 4.49Å
155	Q	95.2	Very high	96.6	Very high	59 Å²	59	46.8 Å²	46.8	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-45	173.5	-73.1	-177.5	-84	0	0	112.1	I151 N152 Q153 H157 G158 C159 L161	I151-Q155 WeakPolarHBondContact O-CG 3.25Å; I151-Q155 PolarHBondContact O-N 3.16Å; N152-Q155 PolarHBondContact O-N 3.02Å; N152-Q155 PolarHBondContact OD1-OE1 3.13Å; Q153-Q155 VanDerWaalsContact C-N 3.34Å; Q155-H157 PolarHBondContact O-N 3.2Å; Q155-H157 VanDerWaalsContact O-N 3.13Å; Q155-G158 PolarHBondContact O-N 2.91Å; Q155-C159 WeakPolarHBondContact CA-O 3.33Å; Q155-L161 VanDerWaalsContact CD-CD2 3.42Å; Q155-L161 HydrophobicContact CG-CD2 4.05Å; Q155-L161 HydrophobicContact CG-CG 4.4Å; Q155-L161 VanDerWaalsContact NE2-CG 3.26Å
156	N	93.9	Very high	96.6	Very high	147 Å²	147	44.1 Å²	44.1	79%	0.786	24%	0.237	S	C	*	.	H	α-helix	trans	-61.2	-21.8	174	-69	-27.7	0	0	0	112.4	N152 Q153	N152-N156 VanDerWaalsContact O-CG 3.29Å; N152-N156 PolarHBondContact O-N 3.16Å; N152-N156 PolarHBondContact O-ND2 3.31Å; Q153-N156 PolarHBondContact O-N 3.26Å
157	H	91.4	Very high	96.7	Very high	81 Å²	81	41.5 Å²	41.5	38%	0.375	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	12	174.5	-155.3	76.8	0	0	0	113.8	L75 S84 Q153 L154 Q155	L75-H157 HydrophobicContact CD1-CB 4.33Å; L75-H157 PolarHBondContact O-CE1 3.2Å; S84-H157 WeakPolarHBondContact CB-O 3.42Å; S84-H157 PolarHBondContact OG-O 3.3Å; Q153-H157 PolarHBondContact O-N 2.94Å; Q153-H157 VanDerWaalsContact O-N 3.12Å; L154-H157 CarbonylContact O-C 3.54Å; L154-H157 WeakPolarHBondContact O-CA 3.5Å; L154-H157 WeakPolarHBondContact O-CB 3.48Å; L154-H157 PolarHBondContact O-N 3.14Å; L154-H157 VanDerWaalsContact O-N 3.11Å; Q155-H157 PolarHBondContact O-N 3.2Å; Q155-H157 VanDerWaalsContact O-N 3.13Å
158	G	93.1	Very high	96.8	Very high	54 Å²	54	41.4 Å²	41.4	56%	0.557	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.6	2.1	171.7	0	0	0	0	0	115.9	L154 Q155	L154-G158 PolarHBondContact O-N 2.86Å; Q155-G158 PolarHBondContact O-N 2.91Å
159	C	96.1	Very high	96.8	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.047	22%	0.22	C	C	.	.			trans	-73.1	146.9	173.7	-54.8	0	0	0	0	110.7	L154 Q155 F164	L154-C159 HydrophobicContact CB-CB 4.18Å; L154-C159 VanDerWaalsContact O-CB 3.3Å; L154-C159 WeakPolarHBondContact O-CB 3.34Å; L154-C159 PolarHBondContact O-N 2.96Å; L154-C159 PolarHBondContact O-SG 3.49Å; Q155-C159 WeakPolarHBondContact CA-O 3.33Å; C159-F164 HydrophobicContact CB-CE2 4.2Å; C159-F164 HydrophobicContact CB-CZ 3.72Å
160	K	98	Very high	96.9	Very high	148 Å²	148	38 Å²	38	64%	0.643	20%	0.203	S	C	*	.			trans	-101.5	149.6	174.1	-53.4	-175.9	178.1	178.7	0	110.7	E162 S163 F164	K160-E162 WeakPolarHBondContact CB-OE2 3.34Å; K160-E162 PolarHBondContact O-N 3.23Å; K160-S163 WeakPolarHBondContact O-CB 3.46Å; K160-S163 PolarHBondContact O-N 3.32Å; K160-S163 PolarHBondContact O-OG 2.82Å; K160-F164 WeakPolarHBondContact O-CD2 3.34Å; K160-F164 WeakPolarHBondContact O-CE2 3.5Å
161	L	98.4	Very high	97	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.052	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35.3	-177.8	-70.6	173.3	0	0	0	112.1	I151 Q155 S163 F164 F183 E186 I187 G188	I151-L161 HydrophobicContact CG2-CD2 3.67Å; Q155-L161 VanDerWaalsContact CD-CD2 3.42Å; Q155-L161 HydrophobicContact CG-CD2 4.05Å; Q155-L161 HydrophobicContact CG-CG 4.4Å; Q155-L161 VanDerWaalsContact NE2-CG 3.26Å; L161-S163 PolarHBondContact O-N 3.07Å; L161-F164 HydrophobicContact CD2-CD2 4.39Å; L161-F164 HydrophobicContact CD2-CE2 4.44Å; L161-F164 WeakPolarHBondContact O-CD2 3.24Å; L161-F164 PolarHBondContact O-N 3.28Å; L161-F164 VanDerWaalsContact O-N 3.14Å; L161-F183 HydrophobicContact CD1-CB 4.44Å; L161-F183 HydrophobicContact CD1-CD1 4.04Å; L161-F183 HydrophobicContact CD2-CD1 3.73Å; L161-F183 HydrophobicContact CD2-CE1 4.03Å; L161-F183 HydrophobicContact CD2-CG 4.08Å; L161-E186 CarbonylContact C-O 3.57Å; L161-E186 HydrophobicContact CB-CB 4.32Å; L161-E186 VanDerWaalsContact CB-O 3.24Å; L161-E186 WeakPolarHBondContact CB-O 3.3Å; L161-E186 HydrophobicContact CD1-CB 3.7Å; L161-E186 WeakPolarHBondContact CD1-OE2 3.38Å; L161-I187 HydrophobicContact CD2-CD1 3.86Å; L161-G188 PolarHBondContact O-N 3.26Å
162	E	98.2	Very high	97	Very high	114 Å²	114	37.7 Å²	37.7	53%	0.533	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.1	-15.8	179.6	-49	88.8	159.9	0	0	112.5	K160 G188 L215	K160-E162 WeakPolarHBondContact CB-OE2 3.34Å; K160-E162 PolarHBondContact O-N 3.23Å; E162-G188 WeakPolarHBondContact O-CA 3.4Å; E162-L215 HydrophobicContact CB-CD1 4.12Å; E162-L215 HydrophobicContact CG-CD1 3.61Å
163	S	97.9	Very high	97.1	Very high	34 Å²	34	34.3 Å²	34.3	24%	0.238	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-85	-8.8	177.3	75.8	0	0	0	0	113.8	T88 K160 L161	T88-S163 PolarHBondContact N-O 3.39Å; K160-S163 WeakPolarHBondContact O-CB 3.46Å; K160-S163 PolarHBondContact O-N 3.32Å; K160-S163 PolarHBondContact O-OG 2.82Å; L161-S163 PolarHBondContact O-N 3.07Å
164	F	98.8	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.1	177	-64.6	-68.7	0	0	0	111.7	T88 I90 I151 L154 C159 K160 L161 F166 I187 G188 R189	T88-F164 HydrophobicContact CG2-CD1 3.97Å; T88-F164 HydrophobicContact CG2-CE1 3.94Å; T88-F164 WeakPolarHBondContact O-CA 3.11Å; I90-F164 HydrophobicContact CD1-CD1 3.74Å; I90-F164 HydrophobicContact CD1-CE1 4.42Å; I90-F164 HydrophobicContact CD1-CG 4.39Å; I151-F164 HydrophobicContact CD1-CD1 3.84Å; I151-F164 HydrophobicContact CD1-CD2 4.31Å; I151-F164 HydrophobicContact CD1-CE1 3.74Å; I151-F164 HydrophobicContact CD1-CE2 4.24Å; I151-F164 HydrophobicContact CD1-CG 4.15Å; I151-F164 HydrophobicContact CD1-CZ 3.96Å; I151-F164 HydrophobicContact CG2-CD2 4.19Å; I151-F164 HydrophobicContact CG2-CE2 3.84Å; I151-F164 HydrophobicContact CG2-CZ 4.34Å; L154-F164 HydrophobicContact CB-CE1 4.4Å; L154-F164 HydrophobicContact CB-CZ 3.79Å; L154-F164 HydrophobicContact CD1-CE1 3.6Å; L154-F164 HydrophobicContact CD1-CZ 3.86Å; L154-F164 HydrophobicContact CG-CZ 4.49Å; C159-F164 HydrophobicContact CB-CE2 4.2Å; C159-F164 HydrophobicContact CB-CZ 3.72Å; K160-F164 WeakPolarHBondContact O-CD2 3.34Å; K160-F164 WeakPolarHBondContact O-CE2 3.5Å; L161-F164 HydrophobicContact CD2-CD2 4.39Å; L161-F164 HydrophobicContact CD2-CE2 4.44Å; L161-F164 WeakPolarHBondContact O-CD2 3.24Å; L161-F164 PolarHBondContact O-N 3.28Å; L161-F164 VanDerWaalsContact O-N 3.14Å; F164-F166 HydrophobicContact CB-CD2 4.39Å; F164-F166 HydrophobicContact CB-CE2 4.02Å; F164-I187 HydrophobicContact CB-CD1 4.45Å; F164-I187 HydrophobicContact CB-CG2 4.38Å; F164-I187 HydrophobicContact CD2-CD1 4.43Å; F164-G188 PolarHBondContact O-N 2.9Å; F164-R189 PolarHBondContact O-N 3.35Å
165	H	98.9	Very high	97.5	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.032	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	110	170.1	176.8	-172.3	0	0	0	109.3	T88 K89 I90 R189 T191 Y272	T88-H165 PolarHBondContact O-N 2.94Å; K89-H165 CarbonylContact C-O 3.55Å; K89-H165 VanDerWaalsContact CA-O 3.31Å; K89-H165 WeakPolarHBondContact CA-O 3.48Å; K89-H165 HydrophobicContact CD-CB 3.69Å; I90-H165 PolarHBondContact N-O 2.02Å; H165-R189 CarbonylContact C-O 3.56Å; H165-R189 VanDerWaalsContact CA-O 3.29Å; H165-R189 WeakPolarHBondContact CA-O 3.38Å; H165-R189 HydrophobicContact CB-CB 4.26Å; H165-T191 PolarHBondContact CE1-OG1 2.85Å; H165-T191 PolarHBondContact NE2-OG1 2.95Å; H165-Y272 PolarHBondContact CE1-OH 2.85Å
166	F	98.9	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.8	174.4	-74.4	-105.2	0	0	0	111.1	I90 V92 I147 I151 F164 V179 I187 R189 I190 T191	I90-F166 HydrophobicContact CB-CD1 3.92Å; I90-F166 HydrophobicContact CB-CE1 4.03Å; I90-F166 HydrophobicContact CB-CG 4.23Å; I90-F166 HydrophobicContact CB-CZ 4.41Å; I90-F166 HydrophobicContact CD1-CD1 4.35Å; I90-F166 HydrophobicContact CD1-CD2 4.19Å; I90-F166 HydrophobicContact CD1-CE1 3.76Å; I90-F166 HydrophobicContact CD1-CE2 3.56Å; I90-F166 HydrophobicContact CD1-CZ 3.31Å; I90-F166 HydrophobicContact CG1-CZ 4.44Å; I90-F166 HydrophobicContact CG2-CD1 3.84Å; I90-F166 HydrophobicContact CG2-CE1 3.74Å; I90-F166 HydrophobicContact CG2-CZ 4.44Å; I90-F166 CarbonylContact O-C 3.55Å; I90-F166 WeakPolarHBondContact O-CA 3.42Å; V92-F166 HydrophobicContact CG2-CD1 4.28Å; I147-F166 HydrophobicContact CG2-CE1 3.79Å; I147-F166 HydrophobicContact CG2-CZ 4.05Å; I151-F166 HydrophobicContact CD1-CE2 4.45Å; I151-F166 HydrophobicContact CD1-CZ 3.98Å; I151-F166 HydrophobicContact CG1-CZ 4.08Å; F164-F166 HydrophobicContact CB-CD2 4.39Å; F164-F166 HydrophobicContact CB-CE2 4.02Å; F166-V179 HydrophobicContact CE1-CB 4.16Å; F166-V179 HydrophobicContact CE1-CG1 3.89Å; F166-V179 HydrophobicContact CE1-CG2 4.19Å; F166-V179 HydrophobicContact CE2-CG1 4.21Å; F166-V179 HydrophobicContact CZ-CB 4.27Å; F166-V179 HydrophobicContact CZ-CG1 3.52Å; F166-I187 HydrophobicContact CD2-CG2 3.69Å; F166-I187 HydrophobicContact CE2-CD1 4.04Å; F166-I187 HydrophobicContact CE2-CG1 4.42Å; F166-I187 HydrophobicContact CE2-CG2 3.95Å; F166-R189 PolarHBondContact N-O 3.48Å; F166-I190 HydrophobicContact CB-CG1 4.11Å; F166-I190 CarbonylContact O-C 3.57Å; F166-I190 WeakPolarHBondContact O-CA 2.95Å; F166-T191 PolarHBondContact O-N 3.2Å
167	I	98.9	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	98.2	177.5	-57.9	159.1	0	0	0	106.5	I90 V92 L108 L112 T191 L193 Y272	I90-I167 PolarHBondContact O-N 3.17Å; V92-I167 PolarHBondContact N-O 3.45Å; L108-I167 HydrophobicContact CD2-CG2 4.07Å; L112-I167 HydrophobicContact CD1-CD1 3.58Å; L112-I167 HydrophobicContact CD2-CD1 3.71Å; L112-I167 HydrophobicContact CG-CD1 4.27Å; I167-T191 WeakPolarHBondContact CA-O 3.39Å; I167-L193 HydrophobicContact CG2-CD1 3.58Å; I167-L193 HydrophobicContact CG2-CG 4.18Å; I167-Y272 HydrophobicContact CD1-CE1 4.08Å; I167-Y272 HydrophobicContact CG1-CE1 4.43Å; I167-Y272 HydrophobicContact CG2-CE1 4.13Å
168	G	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.6	-175	0	0	0	0	0	111.3	V92 G172 T191 L193	V92-G168 WeakPolarHBondContact O-CA 3.33Å; G168-G172 WeakPolarHBondContact CA-O 3.04Å; G168-T191 PolarHBondContact N-O 3.38Å; G168-L193 PolarHBondContact O-N 2.66Å
169	V	98.8	Very high	98.5	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.024	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.8	176.1	-178.4	0	0	0	0	109.6	V92 G94 W104 L171 G172 L193 L269	V92-V169 PolarHBondContact O-N 3.45Å; G94-V169 VanDerWaalsContact CA-O 3.22Å; G94-V169 WeakPolarHBondContact CA-O 3.19Å; G94-V169 PolarHBondContact N-O 3.05Å; G94-V169 VanDerWaalsContact N-O 3.14Å; W104-V169 HydrophobicContact CH2-CB 4.11Å; W104-V169 HydrophobicContact CH2-CG2 3.53Å; W104-V169 HydrophobicContact CZ2-CB 4.04Å; W104-V169 HydrophobicContact CZ2-CG1 4.33Å; W104-V169 HydrophobicContact CZ2-CG2 3.86Å; W104-V169 HydrophobicContact CZ3-CG2 4.03Å; V169-L171 PolarHBondContact O-N 3.15Å; V169-G172 WeakPolarHBondContact O-CA 3.12Å; V169-G172 PolarHBondContact O-N 2.98Å; V169-L193 WeakPolarHBondContact CA-O 3.24Å; V169-L193 HydrophobicContact CG2-CB 4.06Å; V169-L193 HydrophobicContact CG2-CD1 3.84Å; V169-L193 HydrophobicContact CG2-CG 4.49Å; V169-L269 HydrophobicContact CG2-CD1 4.26Å
170	S	98.3	Very high	98.6	Very high	13 Å²	13	16.6 Å²	16.6	9%	0.091	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-125.4	175.5	-173.3	0	0	0	0	111	G172 A173 L193 D194 A196 H265	S170-G172 PolarHBondContact O-N 3.03Å; S170-G172 VanDerWaalsContact O-N 3.16Å; S170-A173 VanDerWaalsContact O-CB 3.26Å; S170-A173 WeakPolarHBondContact O-CB 3Å; S170-A173 PolarHBondContact O-N 2.98Å; S170-L193 PolarHBondContact N-O 3.18Å; S170-D194 WeakPolarHBondContact CA-O 3.48Å; S170-A196 PolarHBondContact O-N 3.34Å; S170-H265 WeakPolarHBondContact CB-NE2 3.46Å; S170-H265 PolarHBondContact OG-CE1 3.4Å; S170-H265 PolarHBondContact OG-NE2 2.88Å
171	L	98.3	Very high	98.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.2	-28.2	174	-174.2	56.2	0	0	0	113.5	W125 Y133 V137 V169 A173 H174 V175 F200	W125-L171 HydrophobicContact CH2-CB 4.46Å; W125-L171 HydrophobicContact CH2-CD2 3.59Å; W125-L171 HydrophobicContact CH2-CG 3.79Å; W125-L171 HydrophobicContact CZ2-CD2 4.48Å; W125-L171 HydrophobicContact CZ2-CG 4.35Å; W125-L171 HydrophobicContact CZ3-CD2 4.39Å; Y133-L171 HydrophobicContact CE2-CD2 4.47Å; V137-L171 HydrophobicContact CG2-CD1 4.15Å; V169-L171 PolarHBondContact O-N 3.15Å; L171-A173 PolarHBondContact O-N 3.33Å; L171-H174 PolarHBondContact O-N 3.36Å; L171-H174 VanDerWaalsContact O-N 3.15Å; L171-V175 PolarHBondContact O-N 2.96Å; L171-F200 HydrophobicContact CD1-CE2 3.42Å; L171-F200 VanDerWaalsContact CD1-CE2 3.42Å; L171-F200 HydrophobicContact CD1-CZ 3.48Å; L171-F200 VanDerWaalsContact CD1-CZ 3.48Å
172	G	98.7	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66	-20.8	176.6	0	0	0	0	0	113.9	H93 G168 V169 S170 S176	H93-G172 WeakPolarHBondContact O-CA 3.49Å; G168-G172 WeakPolarHBondContact CA-O 3.04Å; V169-G172 WeakPolarHBondContact O-CA 3.12Å; V169-G172 PolarHBondContact O-N 2.98Å; S170-G172 PolarHBondContact O-N 3.03Å; S170-G172 VanDerWaalsContact O-N 3.16Å; G172-S176 WeakPolarHBondContact O-CB 3.04Å; G172-S176 PolarHBondContact O-N 3.2Å; G172-S176 PolarHBondContact O-OG 2.92Å
173	A	98.8	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.3	-39.5	172.1	0	0	0	0	0	111.5	S170 L171 S176 G177 P195 L209	S170-A173 VanDerWaalsContact O-CB 3.26Å; S170-A173 WeakPolarHBondContact O-CB 3Å; S170-A173 PolarHBondContact O-N 2.98Å; L171-A173 PolarHBondContact O-N 3.33Å; A173-S176 WeakPolarHBondContact O-CB 3.3Å; A173-S176 PolarHBondContact O-N 2.81Å; A173-G177 PolarHBondContact O-N 3.26Å; A173-P195 HydrophobicContact CB-CB 3.63Å; A173-P195 HydrophobicContact CB-CG 3.8Å; A173-L209 HydrophobicContact CB-CD2 4.29Å
174	H	98.8	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-76	-32.8	177.4	-59.3	-48.5	0	0	0	112.8	Y140 L171 S176 G177 F178 A196 F200 L209	Y140-H174 HydrophobicContact CD2-CB 4.23Å; L171-H174 PolarHBondContact O-N 3.36Å; L171-H174 VanDerWaalsContact O-N 3.15Å; H174-S176 VanDerWaalsContact C-N 3.28Å; H174-S176 PolarHBondContact O-N 2.71Å; H174-G177 PolarHBondContact O-N 3.29Å; H174-F178 WeakPolarHBondContact O-CB 3.14Å; H174-F178 PolarHBondContact O-N 3.19Å; H174-A196 PolarHBondContact NE2-N 2.86Å; H174-A196 PolarHBondContact NE2-O 3.22Å; H174-F200 HydrophobicContact CB-CD1 4.02Å; H174-F200 HydrophobicContact CB-CE1 3.56Å; H174-F200 HydrophobicContact CB-CZ 3.86Å; H174-F200 AromaticContact CD2-CD1 3.51Å; H174-F200 AromaticContact CD2-CD2 3.26Å; H174-F200 WeakPolarHBondContact CD2-CD2 3.23Å; H174-F200 AromaticContact CD2-CE1 3.68Å; H174-F200 AromaticContact CD2-CE2 3.46Å; H174-F200 VanDerWaalsContact CD2-CE2 3.46Å; H174-F200 WeakPolarHBondContact CD2-CE2 3.25Å; H174-F200 AromaticContact CD2-CG 3.31Å; H174-F200 WeakPolarHBondContact CD2-CG 3.49Å; H174-F200 AromaticContact CD2-CZ 3.66Å; H174-F200 AromaticContact CE1-CG 3.88Å; H174-F200 AromaticContact CG-CD1 3.5Å; H174-F200 VanDerWaalsContact CG-CD1 3.5Å; H174-F200 AromaticContact CG-CE1 3.55Å; H174-F200 AromaticContact CG-CG 3.8Å; H174-F200 AromaticContact CG-CZ 3.9Å; H174-F200 AromaticContact ND1-CD1 3.88Å; H174-F200 AromaticContact NE2-CD1 3.92Å; H174-F200 AromaticContact NE2-CD2 3.58Å; H174-F200 AromaticContact NE2-CG 3.4Å; H174-F200 WeakPolarHBondContact NE2-CG 3.45Å; H174-L209 PolarHBondContact ND1-N 3.31Å
175	V	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.8	-47.7	166.4	177	0	0	0	0	109.8	V92 W125 V143 A144 I147 L171 F178 V179	V92-V175 HydrophobicContact CG1-CB 3.93Å; V92-V175 HydrophobicContact CG1-CG1 3.86Å; V92-V175 HydrophobicContact CG1-CG2 4.4Å; W125-V175 HydrophobicContact CH2-CG2 4.27Å; W125-V175 HydrophobicContact CZ2-CG2 4.05Å; V143-V175 HydrophobicContact CB-CG1 4.18Å; V143-V175 HydrophobicContact CB-CG2 4.47Å; V143-V175 HydrophobicContact CG1-CG1 3.7Å; V143-V175 HydrophobicContact CG1-CG2 4.43Å; A144-V175 HydrophobicContact CB-CG1 4.2Å; I147-V175 HydrophobicContact CD1-CG1 3.52Å; L171-V175 PolarHBondContact O-N 2.96Å; V175-F178 PolarHBondContact O-N 3.12Å; V175-V179 WeakPolarHBondContact O-CG2 3.14Å; V175-V179 PolarHBondContact O-N 2.82Å
176	S	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-44.2	179.6	-56.9	0	0	0	0	112.2	G172 A173 H174 V179 G180	G172-S176 WeakPolarHBondContact O-CB 3.04Å; G172-S176 PolarHBondContact O-N 3.2Å; G172-S176 PolarHBondContact O-OG 2.92Å; A173-S176 WeakPolarHBondContact O-CB 3.3Å; A173-S176 PolarHBondContact O-N 2.81Å; H174-S176 VanDerWaalsContact C-N 3.28Å; H174-S176 PolarHBondContact O-N 2.71Å; S176-V179 PolarHBondContact O-N 2.98Å; S176-G180 PolarHBondContact O-N 2.96Å; S176-G180 VanDerWaalsContact O-N 3.09Å
177	G	98.7	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.6	-51.9	174	0	0	0	0	0	111.9	A173 H174 V179 G180 T181 D213	A173-G177 PolarHBondContact O-N 3.26Å; H174-G177 PolarHBondContact O-N 3.29Å; G177-V179 VanDerWaalsContact C-N 3.3Å; G177-V179 PolarHBondContact O-N 2.72Å; G177-G180 CarbonylContact O-C 3.53Å; G177-G180 WeakPolarHBondContact O-CA 3.36Å; G177-G180 PolarHBondContact O-N 2.89Å; G177-T181 PolarHBondContact O-N 3.08Å; G177-T181 PolarHBondContact O-OG1 3.29Å; G177-D213 WeakPolarHBondContact CA-OD2 3.3Å; G177-D213 WeakPolarHBondContact O-CB 3.24Å
178	F	98.7	Very high	98.6	Very high	17 Å²	17	22 Å²	22	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-32.9	-179.3	-159.4	-104	0	0	0	113.2	Y140 K141 A144 H174 V175 G180 T181 L182 F206	Y140-F178 HydrophobicContact CD2-CB 4.27Å; Y140-F178 HydrophobicContact CE2-CB 4Å; Y140-F178 HydrophobicContact CE2-CD2 4.23Å; Y140-F178 HydrophobicContact CE2-CG 4.17Å; K141-F178 HydrophobicContact CB-CD1 4.13Å; K141-F178 HydrophobicContact CB-CE1 3.83Å; K141-F178 HydrophobicContact CB-CZ 4.28Å; K141-F178 HydrophobicContact CD-CE1 4.3Å; K141-F178 HydrophobicContact CD-CE2 4.14Å; K141-F178 HydrophobicContact CD-CZ 3.87Å; K141-F178 HydrophobicContact CG-CD1 4.08Å; K141-F178 HydrophobicContact CG-CD2 4.33Å; K141-F178 HydrophobicContact CG-CE1 3.85Å; K141-F178 HydrophobicContact CG-CE2 4.13Å; K141-F178 HydrophobicContact CG-CG 4.3Å; K141-F178 HydrophobicContact CG-CZ 3.88Å; A144-F178 HydrophobicContact CB-CB 3.93Å; A144-F178 HydrophobicContact CB-CD1 3.67Å; A144-F178 HydrophobicContact CB-CG 4.28Å; H174-F178 WeakPolarHBondContact O-CB 3.14Å; H174-F178 PolarHBondContact O-N 3.19Å; V175-F178 PolarHBondContact O-N 3.12Å; F178-G180 VanDerWaalsContact C-N 3.31Å; F178-T181 WeakPolarHBondContact O-CB 3.38Å; F178-T181 PolarHBondContact O-N 3.15Å; F178-L182 HydrophobicContact CD1-CD1 4.18Å; F178-L182 HydrophobicContact CD1-CG 4.28Å; F178-L182 HydrophobicContact CE1-CD1 4.27Å; F178-L182 HydrophobicContact CE1-CD2 4.22Å; F178-L182 HydrophobicContact CE1-CG 4.24Å; F178-L182 VanDerWaalsContact O-CG 3.31Å; F178-L182 WeakPolarHBondContact O-CG 3.19Å; F178-L182 PolarHBondContact O-N 3.18Å; F178-F206 HydrophobicContact CE2-CD1 4.33Å; F178-F206 AromaticContact CE2-CE1 3.72Å; F178-F206 HydrophobicContact CE2-CE1 3.72Å; F178-F206 AromaticContact CE2-CZ 3.94Å; F178-F206 HydrophobicContact CE2-CZ 3.94Å; F178-F206 HydrophobicContact CZ-CE1 4.29Å; F178-F206 HydrophobicContact CZ-CZ 4.33Å
179	V	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-46.7	168.7	175.3	0	0	0	0	110.2	A144 I147 F166 V175 S176 G177 T181 L182 F183	A144-V179 HydrophobicContact CB-CG2 3.62Å; I147-V179 HydrophobicContact CB-CG2 3.91Å; I147-V179 HydrophobicContact CD1-CG2 4.16Å; I147-V179 HydrophobicContact CG2-CG1 4.43Å; I147-V179 HydrophobicContact CG2-CG2 4.01Å; F166-V179 HydrophobicContact CE1-CB 4.16Å; F166-V179 HydrophobicContact CE1-CG1 3.89Å; F166-V179 HydrophobicContact CE1-CG2 4.19Å; F166-V179 HydrophobicContact CE2-CG1 4.21Å; F166-V179 HydrophobicContact CZ-CB 4.27Å; F166-V179 HydrophobicContact CZ-CG1 3.52Å; V175-V179 WeakPolarHBondContact O-CG2 3.14Å; V175-V179 PolarHBondContact O-N 2.82Å; S176-V179 PolarHBondContact O-N 2.98Å; G177-V179 VanDerWaalsContact C-N 3.3Å; G177-V179 PolarHBondContact O-N 2.72Å; V179-T181 PolarHBondContact O-N 3.3Å; V179-L182 WeakPolarHBondContact O-CB 3.34Å; V179-L182 PolarHBondContact O-N 3.02Å; V179-F183 HydrophobicContact CG1-CD2 3.86Å; V179-F183 HydrophobicContact CG1-CE2 3.91Å; V179-F183 VanDerWaalsContact O-CD2 3.24Å; V179-F183 WeakPolarHBondContact O-CD2 3.48Å; V179-F183 PolarHBondContact O-N 2.87Å; V179-F183 VanDerWaalsContact O-N 3.15Å
180	G	98.6	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.6	-47	173.7	0	0	0	0	0	113.8	S176 G177 F178 L182 F183 K184 G185 D213	S176-G180 PolarHBondContact O-N 2.96Å; S176-G180 VanDerWaalsContact O-N 3.09Å; G177-G180 CarbonylContact O-C 3.53Å; G177-G180 WeakPolarHBondContact O-CA 3.36Å; G177-G180 PolarHBondContact O-N 2.89Å; F178-G180 VanDerWaalsContact C-N 3.31Å; G180-L182 VanDerWaalsContact C-N 3.34Å; G180-L182 PolarHBondContact O-N 3.46Å; G180-F183 CarbonylContact O-C 3.53Å; G180-F183 VanDerWaalsContact O-C 3.26Å; G180-F183 WeakPolarHBondContact O-CA 3.44Å; G180-F183 PolarHBondContact O-N 3.35Å; G180-F183 VanDerWaalsContact O-N 3.08Å; G180-K184 PolarHBondContact O-N 2.87Å; G180-G185 PolarHBondContact O-N 3.19Å; G180-D213 CarbonylContact C-O 3.58Å; G180-D213 WeakPolarHBondContact CA-O 3.01Å
181	T	98.3	Very high	98.6	Very high	31 Å²	31	22.2 Å²	22.2	19%	0.19	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-44.5	174.1	-44.4	0	0	0	0	112	G177 F178 V179 F183 K184 F206 D213	G177-T181 PolarHBondContact O-N 3.08Å; G177-T181 PolarHBondContact O-OG1 3.29Å; F178-T181 WeakPolarHBondContact O-CB 3.38Å; F178-T181 PolarHBondContact O-N 3.15Å; V179-T181 PolarHBondContact O-N 3.3Å; T181-F183 PolarHBondContact O-N 3.48Å; T181-K184 PolarHBondContact O-N 3.09Å; T181-F206 HydrophobicContact CG2-CD2 3.66Å; T181-F206 HydrophobicContact CG2-CE2 3.49Å; T181-F206 VanDerWaalsContact CG2-CE2 3.49Å; T181-F206 HydrophobicContact CG2-CZ 4.34Å; T181-D213 PolarHBondContact N-OD1 3.4Å; T181-D213 PolarHBondContact OG1-OD1 3.44Å
182	L	98.4	Very high	98.6	Very high	74 Å²	74	22.2 Å²	22.2	39%	0.387	11%	0.11	S	C	.	.	H	α-helix	trans	-62.6	-29.9	177.9	-68.3	173.1	0	0	0	112.6	V145 F178 V179 G180	V145-L182 HydrophobicContact CG2-CD1 4.14Å; F178-L182 HydrophobicContact CD1-CD1 4.18Å; F178-L182 HydrophobicContact CD1-CG 4.28Å; F178-L182 HydrophobicContact CE1-CD1 4.27Å; F178-L182 HydrophobicContact CE1-CD2 4.22Å; F178-L182 HydrophobicContact CE1-CG 4.24Å; F178-L182 VanDerWaalsContact O-CG 3.31Å; F178-L182 WeakPolarHBondContact O-CG 3.19Å; F178-L182 PolarHBondContact O-N 3.18Å; V179-L182 WeakPolarHBondContact O-CB 3.34Å; V179-L182 PolarHBondContact O-N 3.02Å; G180-L182 VanDerWaalsContact C-N 3.34Å; G180-L182 PolarHBondContact O-N 3.46Å
183	F	98.5	Very high	98.6	Very high	18 Å²	18	22.2 Å²	22.2	8%	0.079	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	17.7	173.5	-69.2	-72.9	0	0	0	113.4	I151 L161 V179 G180 T181 G185 E186 I187	I151-F183 HydrophobicContact CB-CE2 3.7Å; I151-F183 HydrophobicContact CB-CZ 3.56Å; I151-F183 HydrophobicContact CG1-CE2 4.14Å; I151-F183 HydrophobicContact CG1-CZ 4.49Å; I151-F183 HydrophobicContact CG2-CD2 4.35Å; I151-F183 HydrophobicContact CG2-CE1 3.94Å; I151-F183 HydrophobicContact CG2-CE2 3.6Å; I151-F183 HydrophobicContact CG2-CZ 3.38Å; L161-F183 HydrophobicContact CD1-CB 4.44Å; L161-F183 HydrophobicContact CD1-CD1 4.04Å; L161-F183 HydrophobicContact CD2-CD1 3.73Å; L161-F183 HydrophobicContact CD2-CE1 4.03Å; L161-F183 HydrophobicContact CD2-CG 4.08Å; V179-F183 HydrophobicContact CG1-CD2 3.86Å; V179-F183 HydrophobicContact CG1-CE2 3.91Å; V179-F183 VanDerWaalsContact O-CD2 3.24Å; V179-F183 WeakPolarHBondContact O-CD2 3.48Å; V179-F183 PolarHBondContact O-N 2.87Å; V179-F183 VanDerWaalsContact O-N 3.15Å; G180-F183 CarbonylContact O-C 3.53Å; G180-F183 VanDerWaalsContact O-C 3.26Å; G180-F183 WeakPolarHBondContact O-CA 3.44Å; G180-F183 PolarHBondContact O-N 3.35Å; G180-F183 VanDerWaalsContact O-N 3.08Å; T181-F183 PolarHBondContact O-N 3.48Å; F183-G185 PolarHBondContact O-N 3.27Å; F183-G185 VanDerWaalsContact O-N 3.15Å; F183-E186 WeakPolarHBondContact O-CB 3.49Å; F183-E186 PolarHBondContact O-N 3.21Å; F183-I187 HydrophobicContact CB-CD1 4.24Å; F183-I187 HydrophobicContact CB-CG1 4.08Å; F183-I187 HydrophobicContact CD2-CD1 3.97Å; F183-I187 HydrophobicContact CD2-CG1 4.33Å; F183-I187 HydrophobicContact CG-CD1 4.21Å
184	K	98.1	Very high	98.6	Very high	177 Å²	177	22.2 Å²	22.2	77%	0.77	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	32.7	173.7	-51.4	175.3	-174.4	170.8	0	114	G180 T181 E186	G180-K184 PolarHBondContact O-N 2.87Å; T181-K184 PolarHBondContact O-N 3.09Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.8Å
185	G	97.9	Very high	98.6	Very high	10 Å²	10	22.2 Å²	22.2	10%	0.103	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	7.1	179.7	0	0	0	0	0	115.3	G180 F183 I187 S212 A214 L215	G180-G185 PolarHBondContact O-N 3.19Å; F183-G185 PolarHBondContact O-N 3.27Å; F183-G185 VanDerWaalsContact O-N 3.15Å; G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.96Å; G185-S212 WeakPolarHBondContact CA-O 3.23Å; G185-A214 CarbonylContact O-C 3.47Å; G185-A214 VanDerWaalsContact O-C 3.24Å; G185-A214 WeakPolarHBondContact O-CA 3.37Å; G185-L215 PolarHBondContact O-N 3.14Å
186	E	98.4	Very high	98.6	Very high	105 Å²	105	22.4 Å²	22.4	49%	0.491	11%	0.111	S	C	.	.			trans	-81.2	-3.7	-177.6	-64.3	-179	-177	0	0	113.5	L161 F183 K184	L161-E186 CarbonylContact C-O 3.57Å; L161-E186 HydrophobicContact CB-CB 4.32Å; L161-E186 VanDerWaalsContact CB-O 3.24Å; L161-E186 WeakPolarHBondContact CB-O 3.3Å; L161-E186 HydrophobicContact CD1-CB 3.7Å; L161-E186 WeakPolarHBondContact CD1-OE2 3.38Å; F183-E186 WeakPolarHBondContact O-CB 3.49Å; F183-E186 PolarHBondContact O-N 3.21Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.8Å
187	I	98.6	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-63.9	138.8	173	-65.1	-61	0	0	0	110	L161 F164 F166 F183 G185 I190 A214 L215	L161-I187 HydrophobicContact CD2-CD1 3.86Å; F164-I187 HydrophobicContact CB-CD1 4.45Å; F164-I187 HydrophobicContact CB-CG2 4.38Å; F164-I187 HydrophobicContact CD2-CD1 4.43Å; F166-I187 HydrophobicContact CD2-CG2 3.69Å; F166-I187 HydrophobicContact CE2-CD1 4.04Å; F166-I187 HydrophobicContact CE2-CG1 4.42Å; F166-I187 HydrophobicContact CE2-CG2 3.95Å; F183-I187 HydrophobicContact CB-CD1 4.24Å; F183-I187 HydrophobicContact CB-CG1 4.08Å; F183-I187 HydrophobicContact CD2-CD1 3.97Å; F183-I187 HydrophobicContact CD2-CG1 4.33Å; F183-I187 HydrophobicContact CG-CD1 4.21Å; G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.96Å; I187-I190 HydrophobicContact CG2-CG1 4.41Å; I187-A214 HydrophobicContact CB-CB 4.23Å; I187-A214 HydrophobicContact CG2-CB 4.37Å; I187-A214 CarbonylContact O-C 3.55Å; I187-A214 WeakPolarHBondContact O-CA 3.21Å; I187-A214 VanDerWaalsContact O-CB 3.24Å; I187-A214 WeakPolarHBondContact O-CB 3.3Å; I187-L215 PolarHBondContact O-N 3.42Å
188	G	98.4	Very high	98.4	Very high	13 Å²	13	25.5 Å²	25.5	13%	0.134	13%	0.133	C	C	.	.	S	Bend	trans	-61.3	-50.4	-175.9	0	0	0	0	0	114.4	L161 E162 F164 F216	L161-G188 PolarHBondContact O-N 3.26Å; E162-G188 WeakPolarHBondContact O-CA 3.4Å; F164-G188 PolarHBondContact O-N 2.9Å; G188-F216 PolarHBondContact O-N 2.81Å
189	R	98.7	Very high	98.3	Very high	21 Å²	21	30.4 Å²	30.4	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.3	-179.9	-177.2	172.4	173.3	160.2	-4.9	113.6	F164 H165 F166 T191 F216 E218 G313 L315	F164-R189 PolarHBondContact O-N 3.35Å; H165-R189 CarbonylContact C-O 3.56Å; H165-R189 VanDerWaalsContact CA-O 3.29Å; H165-R189 WeakPolarHBondContact CA-O 3.38Å; H165-R189 HydrophobicContact CB-CB 4.26Å; F166-R189 PolarHBondContact N-O 3.48Å; R189-T191 PolarHBondContact NE-OG1 3.3Å; R189-F216 CarbonylContact C-O 3.6Å; R189-F216 WeakPolarHBondContact CA-O 3.45Å; R189-F216 HydrophobicContact CG-CD1 4.01Å; R189-E218 IonicContact CZ-OE1 3.82Å; R189-E218 IonicContact NH2-OE1 2.79Å; R189-E218 PolarHBondContact NH2-OE1 3Å; R189-E218 IonicContact NH2-OE2 2.64Å; R189-E218 PolarHBondContact NH2-OE2 3.02Å; R189-G313 PolarHBondContact NH1-O 2.74Å; R189-G313 PolarHBondContact NH2-O 2.83Å; R189-L315 PolarHBondContact NH1-O 2.86Å
190	I	98.9	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	164	-60.3	165.4	0	0	0	109.4	F166 I187 L209 D213 A214 F216 V217 E218	F166-I190 HydrophobicContact CB-CG1 4.11Å; F166-I190 CarbonylContact O-C 3.57Å; F166-I190 WeakPolarHBondContact O-CA 2.95Å; I187-I190 HydrophobicContact CG2-CG1 4.41Å; I190-L209 HydrophobicContact CB-CD1 4.45Å; I190-L209 HydrophobicContact CD1-CD1 4.3Å; I190-L209 HydrophobicContact CG2-CD1 3.71Å; I190-D213 HydrophobicContact CD1-CB 3.63Å; I190-A214 HydrophobicContact CB-CB 4.42Å; I190-A214 HydrophobicContact CD1-CB 3.8Å; I190-A214 HydrophobicContact CG1-CB 3.82Å; I190-F216 PolarHBondContact N-O 2.84Å; I190-V217 HydrophobicContact CB-CG1 4.38Å; I190-V217 HydrophobicContact CB-CG2 4.28Å; I190-V217 VanDerWaalsContact O-CA 3.3Å; I190-V217 WeakPolarHBondContact O-CA 3.47Å; I190-E218 PolarHBondContact O-N 2.8Å
191	T	98.9	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.4	169.9	-61.1	0	0	0	0	108.6	H165 F166 I167 G168 R189 L193 E218 Y272	H165-T191 PolarHBondContact CE1-OG1 2.85Å; H165-T191 PolarHBondContact NE2-OG1 2.95Å; F166-T191 PolarHBondContact O-N 3.2Å; I167-T191 WeakPolarHBondContact CA-O 3.39Å; G168-T191 PolarHBondContact N-O 3.38Å; R189-T191 PolarHBondContact NE-OG1 3.3Å; T191-L193 HydrophobicContact CG2-CD2 3.73Å; T191-L193 HydrophobicContact CG2-CG 4.22Å; T191-E218 CarbonylContact C-O 3.52Å; T191-E218 WeakPolarHBondContact CA-O 3.49Å; T191-E218 HydrophobicContact CG2-CG 3.99Å; T191-E218 WeakPolarHBondContact CG2-OE1 3.35Å; T191-E218 PolarHBondContact OG1-OE1 3.34Å; T191-Y272 HydrophobicContact CG2-CD2 4.15Å; T191-Y272 HydrophobicContact CG2-CE2 3.83Å
192	G	98.8	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110	174.9	0	0	0	0	0	111.3	D194 E218 A219 I220	G192-D194 PolarHBondContact O-N 2.63Å; G192-E218 PolarHBondContact N-O 2.8Å; G192-A219 CarbonylContact O-C 3.56Å; G192-A219 VanDerWaalsContact O-CA 3.3Å; G192-A219 WeakPolarHBondContact O-CA 3.45Å; G192-I220 PolarHBondContact O-N 3.1Å
193	L	98.9	Very high	97.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	100	177.6	-57.4	177.9	0	0	0	109	I167 G168 V169 S170 T191 I220 A268 L269 Y272	I167-L193 HydrophobicContact CG2-CD1 3.58Å; I167-L193 HydrophobicContact CG2-CG 4.18Å; G168-L193 PolarHBondContact O-N 2.66Å; V169-L193 WeakPolarHBondContact CA-O 3.24Å; V169-L193 HydrophobicContact CG2-CB 4.06Å; V169-L193 HydrophobicContact CG2-CD1 3.84Å; V169-L193 HydrophobicContact CG2-CG 4.49Å; S170-L193 PolarHBondContact N-O 3.18Å; T191-L193 HydrophobicContact CG2-CD2 3.73Å; T191-L193 HydrophobicContact CG2-CG 4.22Å; L193-I220 HydrophobicContact CD2-CB 4.41Å; L193-I220 HydrophobicContact CD2-CD1 3.66Å; L193-I220 HydrophobicContact CD2-CG1 4.24Å; L193-A268 HydrophobicContact CB-CB 4.21Å; L193-L269 HydrophobicContact CD1-CB 4.47Å; L193-L269 HydrophobicContact CD1-CD1 3.78Å; L193-Y272 HydrophobicContact CD1-CD1 4.15Å; L193-Y272 HydrophobicContact CD1-CG 4.41Å; L193-Y272 HydrophobicContact CD2-CD1 4.34Å; L193-Y272 HydrophobicContact CD2-CD2 4.21Å; L193-Y272 HydrophobicContact CD2-CG 3.84Å
194	D	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	44.5	67.4	-172.9	-155.5	45.2	0	0	0	113	S170 G192 I220 T222 D223 H265 A268	S170-D194 WeakPolarHBondContact CA-O 3.48Å; G192-D194 PolarHBondContact O-N 2.63Å; D194-I220 WeakPolarHBondContact CA-O 3.2Å; D194-I220 PolarHBondContact N-O 3.09Å; D194-T222 PolarHBondContact OD1-N 2.87Å; D194-D223 PolarHBondContact OD1-N 3.14Å; D194-D223 VanDerWaalsContact OD1-N 3.16Å; D194-D223 VanDerWaalsContact OD2-CB 3.25Å; D194-D223 WeakPolarHBondContact OD2-CB 3.22Å; D194-D223 PolarHBondContact OD2-N 2.69Å; D194-H265 PolarHBondContact O-CE1 3.06Å; D194-H265 VanDerWaalsContact O-CE1 3.26Å; D194-H265 WeakPolarHBondContact OD2-CA 3.28Å; D194-H265 IonicContact OD2-CE1 3.23Å; D194-H265 IonicContact OD2-CG 2.64Å; D194-H265 IonicContact OD2-ND1 3.7Å; D194-H265 PolarHBondContact OD2-ND1 2.83Å; D194-A268 HydrophobicContact CB-CB 3.82Å
195	P	98.8	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.			trans	-54.9	141.9	-176.4	-22.5	33.7	0	0	0	111.7	A173 G197 L209 A219 G228 I229 V233	A173-P195 HydrophobicContact CB-CB 3.63Å; A173-P195 HydrophobicContact CB-CG 3.8Å; P195-G197 PolarHBondContact O-N 2.85Å; P195-L209 HydrophobicContact CG-CD2 4.09Å; P195-A219 HydrophobicContact CG-CB 4.35Å; P195-G228 CarbonylContact O-C 3.53Å; P195-G228 WeakPolarHBondContact O-CA 3.24Å; P195-I229 HydrophobicContact CB-CG2 3.81Å; P195-I229 HydrophobicContact CG-CG2 4.31Å; P195-I229 WeakPolarHBondContact O-CG2 3.45Å; P195-I229 PolarHBondContact O-N 3.49Å; P195-V233 HydrophobicContact CG-CG2 4.09Å
196	A	98.4	Very high	97.4	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.025	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-66.3	129.2	-172.3	0	0	0	0	0	113	S170 H174 F200 F227	S170-A196 PolarHBondContact O-N 3.34Å; H174-A196 PolarHBondContact NE2-N 2.86Å; H174-A196 PolarHBondContact NE2-O 3.22Å; A196-F200 HydrophobicContact CB-CD2 4.39Å; A196-F200 WeakPolarHBondContact O-CB 3.46Å; A196-F200 WeakPolarHBondContact O-CD2 3.39Å; A196-F227 CarbonylContact C-O 3.54Å; A196-F227 WeakPolarHBondContact CA-O 3.46Å
197	G	97.8	Very high	97.2	Very high	8 Å²	8	36.5 Å²	36.5	8%	0.082	21%	0.214	C	C	.	.			trans	-74.9	-49.4	177.1	0	0	0	0	0	114.8	P195 M199 F200 K201 F227	P195-G197 PolarHBondContact O-N 2.85Å; G197-M199 PolarHBondContact O-N 2.95Å; G197-F200 PolarHBondContact O-N 3.3Å; G197-F200 VanDerWaalsContact O-N 3.07Å; G197-K201 PolarHBondContact O-N 3.33Å; G197-F227 PolarHBondContact N-O 2.9Å
198	P	96	Very high	97.2	Very high	57 Å²	57	37.7 Å²	37.7	37%	0.37	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	129.2	-175.9	-26.2	35.3	0	0	0	112.6	Y133 F200 F227	Y133-P198 HydrophobicContact CE1-CB 3.81Å; Y133-P198 PolarHBondContact OH-O 3.16Å; P198-F200 VanDerWaalsContact O-CD2 3.27Å; P198-F200 WeakPolarHBondContact O-CD2 3.5Å; P198-F200 PolarHBondContact O-N 2.8Å; P198-F227 WeakPolarHBondContact CD-O 3.46Å
199	M	95.3	Very high	97.2	Very high	121 Å²	121	37.1 Å²	37.1	60%	0.596	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	-18.2	-172.4	-54.2	-69.4	-69.9	0	0	116.2	Y133 V137 G197	Y133-M199 HydrophobicContact CE1-CG 4.1Å; V137-M199 HydrophobicContact CG1-CE 4.44Å; V137-M199 HydrophobicContact CG1-CG 4.12Å; V137-M199 HydrophobicContact CG2-CB 4.01Å; V137-M199 HydrophobicContact CG2-CG 4.06Å; G197-M199 PolarHBondContact O-N 2.95Å
200	F	97.6	Very high	97.2	Very high	5 Å²	5	37 Å²	37	2%	0.022	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-31.3	-175.3	-63	-81.9	0	0	0	114.1	V137 Y140 L171 H174 A196 G197 P198 G202 A203 D207 R208 I229	V137-F200 HydrophobicContact CG2-CE2 3.65Å; V137-F200 HydrophobicContact CG2-CZ 3.9Å; Y140-F200 HydrophobicContact CD1-CE1 4.31Å; Y140-F200 HydrophobicContact CD1-CZ 4.14Å; Y140-F200 HydrophobicContact CD2-CE1 4.49Å; Y140-F200 AromaticContact CE1-CE1 3.96Å; Y140-F200 HydrophobicContact CE1-CE1 3.96Å; Y140-F200 HydrophobicContact CE1-CZ 4.19Å; Y140-F200 HydrophobicContact CE2-CE1 4.21Å; Y140-F200 HydrophobicContact CG-CZ 4.37Å; Y140-F200 AromaticContact CZ-CE1 3.9Å; L171-F200 HydrophobicContact CD1-CE2 3.42Å; L171-F200 VanDerWaalsContact CD1-CE2 3.42Å; L171-F200 HydrophobicContact CD1-CZ 3.48Å; L171-F200 VanDerWaalsContact CD1-CZ 3.48Å; H174-F200 HydrophobicContact CB-CD1 4.02Å; H174-F200 HydrophobicContact CB-CE1 3.56Å; H174-F200 HydrophobicContact CB-CZ 3.86Å; H174-F200 AromaticContact CD2-CD1 3.51Å; H174-F200 AromaticContact CD2-CD2 3.26Å; H174-F200 WeakPolarHBondContact CD2-CD2 3.23Å; H174-F200 AromaticContact CD2-CE1 3.68Å; H174-F200 AromaticContact CD2-CE2 3.46Å; H174-F200 VanDerWaalsContact CD2-CE2 3.46Å; H174-F200 WeakPolarHBondContact CD2-CE2 3.25Å; H174-F200 AromaticContact CD2-CG 3.31Å; H174-F200 WeakPolarHBondContact CD2-CG 3.49Å; H174-F200 AromaticContact CD2-CZ 3.66Å; H174-F200 AromaticContact CE1-CG 3.88Å; H174-F200 AromaticContact CG-CD1 3.5Å; H174-F200 VanDerWaalsContact CG-CD1 3.5Å; H174-F200 AromaticContact CG-CE1 3.55Å; H174-F200 AromaticContact CG-CG 3.8Å; H174-F200 AromaticContact CG-CZ 3.9Å; H174-F200 AromaticContact ND1-CD1 3.88Å; H174-F200 AromaticContact NE2-CD1 3.92Å; H174-F200 AromaticContact NE2-CD2 3.58Å; H174-F200 AromaticContact NE2-CG 3.4Å; H174-F200 WeakPolarHBondContact NE2-CG 3.45Å; A196-F200 HydrophobicContact CB-CD2 4.39Å; A196-F200 WeakPolarHBondContact O-CB 3.46Å; A196-F200 WeakPolarHBondContact O-CD2 3.39Å; G197-F200 PolarHBondContact O-N 3.3Å; G197-F200 VanDerWaalsContact O-N 3.07Å; P198-F200 VanDerWaalsContact O-CD2 3.27Å; P198-F200 WeakPolarHBondContact O-CD2 3.5Å; P198-F200 PolarHBondContact O-N 2.8Å; F200-G202 PolarHBondContact O-N 3.04Å; F200-G202 VanDerWaalsContact O-N 3.13Å; F200-A203 WeakPolarHBondContact O-CB 3.3Å; F200-A203 PolarHBondContact O-N 3.28Å; F200-D207 WeakPolarHBondContact CD1-O 3.42Å; F200-D207 WeakPolarHBondContact CE1-O 3.48Å; F200-R208 HydrophobicContact CB-CB 4.14Å; F200-R208 HydrophobicContact CD1-CB 3.9Å; F200-R208 WeakPolarHBondContact O-CD 3.36Å; F200-I229 HydrophobicContact CB-CD1 4.21Å
201	K	95.8	Very high	97.1	Very high	114 Å²	114	37.4 Å²	37.4	50%	0.496	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.2	-177.2	-179	174.8	176.6	170.6	0	114.2	G197 I229 S230 I231	G197-K201 PolarHBondContact O-N 3.33Å; K201-I229 HydrophobicContact CB-CD1 4.48Å; K201-I229 HydrophobicContact CB-CG1 4.18Å; K201-S230 WeakPolarHBondContact CE-OG 3.45Å; K201-S230 PolarHBondContact NZ-OG 3.44Å; K201-I231 HydrophobicContact CG-CG2 4.5Å
202	G	94.5	Very high	97.1	Very high	82 Å²	82	41.2 Å²	41.2	85%	0.845	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	5.1	177.8	0	0	0	0	0	114	F200	F200-G202 PolarHBondContact O-N 3.04Å; F200-G202 VanDerWaalsContact O-N 3.13Å
203	A	95.6	Very high	97.1	Very high	25 Å²	25	41.3 Å²	41.3	21%	0.207	24%	0.243	C	C	.	.	S	Bend	trans	-77.6	157.1	179.6	0	0	0	0	0	111.1	F200 D207	F200-A203 WeakPolarHBondContact O-CB 3.3Å; F200-A203 PolarHBondContact O-N 3.28Å; A203-D207 HydrophobicContact CB-CB 4.01Å
204	D	96.3	Very high	97.1	Very high	98 Å²	98	41.6 Å²	41.6	52%	0.524	25%	0.245	S	C	.	.			trans	-60	152.8	170.3	-169.4	-87.3	0	0	0	110.3	F206 D207 R208	D204-F206 PolarHBondContact O-N 3.16Å; D204-F206 VanDerWaalsContact O-N 3.13Å; D204-F206 VanDerWaalsContact OD1-CB 3.29Å; D204-F206 WeakPolarHBondContact OD1-CB 3.44Å; D204-F206 PolarHBondContact OD1-N 2.88Å; D204-D207 PolarHBondContact O-N 2.99Å; D204-R208 WeakPolarHBondContact O-CG 3.31Å
205	T	95.2	Very high	97	Very high	61 Å²	61	46 Å²	46	37%	0.374	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-51.7	-31.8	173.6	42.2	0	0	0	0	112.9	D207 D210	T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 2.94Å; T205-D210 WeakPolarHBondContact CG2-OD2 3.38Å
206	F	95.3	Very high	97	Very high	108 Å²	108	46 Å²	46	47%	0.474	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-67.1	-26.8	175.3	-176.8	-93.7	0	0	0	114	F178 T181 D204	F178-F206 HydrophobicContact CE2-CD1 4.33Å; F178-F206 AromaticContact CE2-CE1 3.72Å; F178-F206 HydrophobicContact CE2-CE1 3.72Å; F178-F206 AromaticContact CE2-CZ 3.94Å; F178-F206 HydrophobicContact CE2-CZ 3.94Å; F178-F206 HydrophobicContact CZ-CE1 4.29Å; F178-F206 HydrophobicContact CZ-CZ 4.33Å; T181-F206 HydrophobicContact CG2-CD2 3.66Å; T181-F206 HydrophobicContact CG2-CE2 3.49Å; T181-F206 VanDerWaalsContact CG2-CE2 3.49Å; T181-F206 HydrophobicContact CG2-CZ 4.34Å; D204-F206 PolarHBondContact O-N 3.16Å; D204-F206 VanDerWaalsContact O-N 3.13Å; D204-F206 VanDerWaalsContact OD1-CB 3.29Å; D204-F206 WeakPolarHBondContact OD1-CB 3.44Å; D204-F206 PolarHBondContact OD1-N 2.88Å
207	D	95.1	Very high	97	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-104.1	13.5	-173	-74	-40.2	0	0	0	112.7	Y140 K141 F200 A203 D204 T205	Y140-D207 WeakPolarHBondContact OH-CA 3.35Å; Y140-D207 PolarHBondContact OH-O 3.5Å; K141-D207 VanDerWaalsContact CE-OD1 3.24Å; K141-D207 WeakPolarHBondContact CE-OD1 3.36Å; K141-D207 IonicContact NZ-OD1 3.89Å; K141-D207 PolarHBondContact NZ-OD1 3.22Å; F200-D207 WeakPolarHBondContact CD1-O 3.42Å; F200-D207 WeakPolarHBondContact CE1-O 3.48Å; A203-D207 HydrophobicContact CB-CB 4.01Å; D204-D207 PolarHBondContact O-N 2.99Å; T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 2.94Å
208	R	97.7	Very high	97	Very high	25 Å²	25	45.5 Å²	45.5	9%	0.094	26%	0.264	C	S	.	.	S	Bend	trans	-148.6	-179.9	177.8	65.9	178.9	174.7	72.4	-4.5	110.3	F200 D204 D210	F200-R208 HydrophobicContact CB-CB 4.14Å; F200-R208 HydrophobicContact CD1-CB 3.9Å; F200-R208 WeakPolarHBondContact O-CD 3.36Å; D204-R208 WeakPolarHBondContact O-CG 3.31Å; R208-D210 IonicContact NH1-OD2 2.83Å
209	L	98.7	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.			trans	-69.5	135.7	171.2	179	63.6	0	0	0	108.6	A173 H174 I190 P195 V217 V233	A173-L209 HydrophobicContact CB-CD2 4.29Å; H174-L209 PolarHBondContact ND1-N 3.31Å; I190-L209 HydrophobicContact CB-CD1 4.45Å; I190-L209 HydrophobicContact CD1-CD1 4.3Å; I190-L209 HydrophobicContact CG2-CD1 3.71Å; P195-L209 HydrophobicContact CG-CD2 4.09Å; L209-V217 HydrophobicContact CD1-CG1 3.93Å; L209-V217 HydrophobicContact CD2-CG1 4.23Å; L209-V217 HydrophobicContact CG-CG1 4.15Å; L209-V233 HydrophobicContact CB-CB 4.34Å; L209-V233 HydrophobicContact CB-CG2 4.47Å; L209-V233 HydrophobicContact CD2-CG2 3.9Å; L209-V233 HydrophobicContact CG-CB 4.3Å; L209-V233 HydrophobicContact CG-CG2 4.23Å; L209-V233 WeakPolarHBondContact O-CB 3.47Å
210	D	98.2	Very high	97.3	Very high	20 Å²	20	37 Å²	37	11%	0.107	22%	0.218	C	C	.	.			trans	-145.7	153.5	-179.1	-173.2	-98.3	0	0	0	111.1	T205 R208 S212 D213 V233	T205-D210 WeakPolarHBondContact CG2-OD2 3.38Å; R208-D210 IonicContact NH1-OD2 2.83Å; D210-S212 PolarHBondContact O-N 2.88Å; D210-S212 VanDerWaalsContact O-N 3.12Å; D210-S212 VanDerWaalsContact OD1-CB 3.31Å; D210-S212 WeakPolarHBondContact OD1-CB 3.46Å; D210-S212 PolarHBondContact OD1-N 3.5Å; D210-S212 PolarHBondContact OD1-OG 2.97Å; D210-D213 PolarHBondContact N-OD2 3.41Å; D210-D213 WeakPolarHBondContact O-CB 3.43Å; D210-D213 PolarHBondContact O-N 3.12Å; D210-V233 CarbonylContact C-O 3.58Å; D210-V233 VanDerWaalsContact C-O 3.26Å; D210-V233 WeakPolarHBondContact CA-O 3.35Å
211	P	98.1	Very high	97.4	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.052	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29.5	176.7	-22.5	31.7	0	0	0	113.4	D213 V233 H235 Q327 Q328	P211-D213 PolarHBondContact O-N 2.95Å; P211-V233 WeakPolarHBondContact CD-O 3.29Å; P211-H235 PolarHBondContact O-CE1 3.06Å; P211-Q327 WeakPolarHBondContact CB-O 3.25Å; P211-Q327 WeakPolarHBondContact CG-O 3.2Å; P211-Q328 HydrophobicContact CG-CG 3.65Å
212	S	97.8	Very high	97.5	Very high	79 Å²	79	31.4 Å²	31.4	55%	0.552	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-70	-8.1	179.3	62.7	0	0	0	0	114.9	G185 D210 A214	G185-S212 WeakPolarHBondContact CA-O 3.23Å; D210-S212 PolarHBondContact O-N 2.88Å; D210-S212 VanDerWaalsContact O-N 3.12Å; D210-S212 VanDerWaalsContact OD1-CB 3.31Å; D210-S212 WeakPolarHBondContact OD1-CB 3.46Å; D210-S212 PolarHBondContact OD1-N 3.5Å; D210-S212 PolarHBondContact OD1-OG 2.97Å; S212-A214 VanDerWaalsContact C-N 3.32Å; S212-A214 PolarHBondContact O-N 3.24Å
213	D	98.7	Very high	97.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-77.3	-13.4	-177.8	-67.8	-34.2	0	0	0	113.9	G177 G180 T181 I190 D210 P211	G177-D213 WeakPolarHBondContact CA-OD2 3.3Å; G177-D213 WeakPolarHBondContact O-CB 3.24Å; G180-D213 CarbonylContact C-O 3.58Å; G180-D213 WeakPolarHBondContact CA-O 3.01Å; T181-D213 PolarHBondContact N-OD1 3.4Å; T181-D213 PolarHBondContact OG1-OD1 3.44Å; I190-D213 HydrophobicContact CD1-CB 3.63Å; D210-D213 PolarHBondContact N-OD2 3.41Å; D210-D213 WeakPolarHBondContact O-CB 3.43Å; D210-D213 PolarHBondContact O-N 3.12Å; P211-D213 PolarHBondContact O-N 2.95Å
214	A	98.6	Very high	97.7	Very high	6 Å²	6	26.9 Å²	26.9	5%	0.05	15%	0.147	C	C	.	.	S	Bend	trans	-155	166.9	177.2	0	0	0	0	0	111.9	G185 I187 I190 S212 F216 V217	G185-A214 CarbonylContact O-C 3.47Å; G185-A214 VanDerWaalsContact O-C 3.24Å; G185-A214 WeakPolarHBondContact O-CA 3.37Å; I187-A214 HydrophobicContact CB-CB 4.23Å; I187-A214 HydrophobicContact CG2-CB 4.37Å; I187-A214 CarbonylContact O-C 3.55Å; I187-A214 WeakPolarHBondContact O-CA 3.21Å; I187-A214 VanDerWaalsContact O-CB 3.24Å; I187-A214 WeakPolarHBondContact O-CB 3.3Å; I190-A214 HydrophobicContact CB-CB 4.42Å; I190-A214 HydrophobicContact CD1-CB 3.8Å; I190-A214 HydrophobicContact CG1-CB 3.82Å; S212-A214 VanDerWaalsContact C-N 3.32Å; S212-A214 PolarHBondContact O-N 3.24Å; A214-F216 WeakPolarHBondContact CB-O 3.42Å; A214-F216 PolarHBondContact O-N 3.27Å; A214-V217 HydrophobicContact CB-CG2 3.81Å
215	L	97.9	Very high	97.6	Very high	92 Å²	92	25.4 Å²	25.4	48%	0.482	14%	0.139	S	C	.	.	S	Bend	trans	-57.9	-30.8	170.2	-59.4	-176.2	0	0	0	111.7	E162 G185 I187 L325	E162-L215 HydrophobicContact CB-CD1 4.12Å; E162-L215 HydrophobicContact CG-CD1 3.61Å; G185-L215 PolarHBondContact O-N 3.14Å; I187-L215 PolarHBondContact O-N 3.42Å; L215-L325 WeakPolarHBondContact O-CD1 3.38Å
216	F	98.3	Very high	97.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	14%	0.138	C	C	.	.	S	Bend	trans	-144.9	135.1	171.1	-173.9	-114.4	0	0	0	111.7	G188 R189 I190 A214 E218 H235 A236 N317 S318 M320 L325	G188-F216 PolarHBondContact O-N 2.81Å; R189-F216 CarbonylContact C-O 3.6Å; R189-F216 WeakPolarHBondContact CA-O 3.45Å; R189-F216 HydrophobicContact CG-CD1 4.01Å; I190-F216 PolarHBondContact N-O 2.84Å; A214-F216 WeakPolarHBondContact CB-O 3.42Å; A214-F216 PolarHBondContact O-N 3.27Å; F216-E218 HydrophobicContact CE1-CB 3.96Å; F216-E218 HydrophobicContact CE1-CG 4.26Å; F216-E218 HydrophobicContact CZ-CB 4.1Å; F216-H235 HydrophobicContact CD2-CB 4.07Å; F216-H235 HydrophobicContact CE2-CB 3.8Å; F216-A236 HydrophobicContact CZ-CB 4.21Å; F216-N317 WeakPolarHBondContact CB-OD1 3.35Å; F216-N317 HydrophobicContact CD2-CB 4.12Å; F216-N317 HydrophobicContact CE2-CB 4.24Å; F216-N317 HydrophobicContact CG-CB 4.4Å; F216-N317 WeakPolarHBondContact CG-OD1 3.29Å; F216-S318 WeakPolarHBondContact CE1-OG 3.3Å; F216-S318 VanDerWaalsContact CZ-OG 3.24Å; F216-S318 WeakPolarHBondContact CZ-OG 3.41Å; F216-M320 HydrophobicContact CD2-CE 4.38Å; F216-M320 HydrophobicContact CE2-CE 3.21Å; F216-M320 HydrophobicContact CZ-CE 3.44Å; F216-M320 VanDerWaalsContact CZ-CE 3.44Å; F216-L325 HydrophobicContact CD2-CD1 3.92Å
217	V	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.3	178.2	-176.6	0	0	0	0	107.4	I190 L209 A214 G234 H235 A236	I190-V217 HydrophobicContact CB-CG1 4.38Å; I190-V217 HydrophobicContact CB-CG2 4.28Å; I190-V217 VanDerWaalsContact O-CA 3.3Å; I190-V217 WeakPolarHBondContact O-CA 3.47Å; L209-V217 HydrophobicContact CD1-CG1 3.93Å; L209-V217 HydrophobicContact CD2-CG1 4.23Å; L209-V217 HydrophobicContact CG-CG1 4.15Å; A214-V217 HydrophobicContact CB-CG2 3.81Å; V217-G234 CarbonylContact O-C 3.53Å; V217-H235 PolarHBondContact N-ND1 3.38Å; V217-H235 WeakPolarHBondContact O-CB 3.21Å; V217-H235 PolarHBondContact O-N 3.17Å; V217-A236 PolarHBondContact O-N 3.4Å
218	E	98.4	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.3	165.3	66.7	171.1	-175.4	0	0	110.3	R189 I190 T191 G192 F216 A236 F238 S318	R189-E218 IonicContact CZ-OE1 3.82Å; R189-E218 IonicContact NH2-OE1 2.79Å; R189-E218 PolarHBondContact NH2-OE1 3Å; R189-E218 IonicContact NH2-OE2 2.64Å; R189-E218 PolarHBondContact NH2-OE2 3.02Å; I190-E218 PolarHBondContact O-N 2.8Å; T191-E218 CarbonylContact C-O 3.52Å; T191-E218 WeakPolarHBondContact CA-O 3.49Å; T191-E218 HydrophobicContact CG2-CG 3.99Å; T191-E218 WeakPolarHBondContact CG2-OE1 3.35Å; T191-E218 PolarHBondContact OG1-OE1 3.34Å; G192-E218 PolarHBondContact N-O 2.8Å; F216-E218 HydrophobicContact CE1-CB 3.96Å; F216-E218 HydrophobicContact CE1-CG 4.26Å; F216-E218 HydrophobicContact CZ-CB 4.1Å; E218-A236 CarbonylContact C-O 3.53Å; E218-A236 WeakPolarHBondContact CA-O 3.42Å; E218-A236 HydrophobicContact CB-CB 4.35Å; E218-F238 HydrophobicContact CB-CE2 4.37Å; E218-S318 PolarHBondContact OE2-OG 3.23Å
219	A	98.8	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.5	173.2	0	0	0	0	0	110.7	G192 P195 V233 A236 D237 F238	G192-A219 CarbonylContact O-C 3.56Å; G192-A219 VanDerWaalsContact O-CA 3.3Å; G192-A219 WeakPolarHBondContact O-CA 3.45Å; P195-A219 HydrophobicContact CG-CB 4.35Å; A219-V233 HydrophobicContact CB-CG2 3.56Å; A219-A236 PolarHBondContact N-O 3.32Å; A219-D237 CarbonylContact O-C 3.45Å; A219-D237 WeakPolarHBondContact O-CA 3.14Å; A219-F238 PolarHBondContact O-N 3.43Å
220	I	98.9	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.8	179.5	-56.2	-178.1	0	0	0	107	G192 L193 D194 T222 F238 L240 A268 Y272 I312	G192-I220 PolarHBondContact O-N 3.1Å; L193-I220 HydrophobicContact CD2-CB 4.41Å; L193-I220 HydrophobicContact CD2-CD1 3.66Å; L193-I220 HydrophobicContact CD2-CG1 4.24Å; D194-I220 WeakPolarHBondContact CA-O 3.2Å; D194-I220 PolarHBondContact N-O 3.09Å; I220-T222 HydrophobicContact CG2-CG2 4.42Å; I220-F238 CarbonylContact C-O 3.55Å; I220-L240 HydrophobicContact CG2-CD1 3.53Å; I220-L240 HydrophobicContact CG2-CD2 3.78Å; I220-L240 HydrophobicContact CG2-CG 4.33Å; I220-A268 HydrophobicContact CB-CB 3.96Å; I220-A268 HydrophobicContact CG2-CB 3.63Å; I220-Y272 HydrophobicContact CD1-CD2 4.04Å; I220-I312 HydrophobicContact CD1-CD1 4.17Å; I220-I312 HydrophobicContact CD1-CG1 4.31Å; I220-I312 HydrophobicContact CD1-CG2 3.6Å
221	H	98.8	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.4	-176.4	-59.7	-99.4	0	0	0	110	I229 I231 D237 F238 F239 L240 G243	H221-I229 PolarHBondContact CE1-O 3.31Å; H221-I229 PolarHBondContact ND1-O 2.91Å; H221-I231 PolarHBondContact CE1-O 3.26Å; H221-D237 IonicContact NE2-OD1 3.71Å; H221-D237 PolarHBondContact NE2-OD1 3.49Å; H221-D237 VanDerWaalsContact NE2-OD1 3.13Å; H221-F238 PolarHBondContact N-O 3.03Å; H221-F239 HydrophobicContact CB-CD1 3.65Å; H221-F239 HydrophobicContact CB-CE1 3.79Å; H221-F239 HydrophobicContact CB-CG 4.2Å; H221-F239 HydrophobicContact CB-CZ 4.44Å; H221-F239 AromaticContact CD2-CE2 3.96Å; H221-F239 AromaticContact CD2-CZ 3.77Å; H221-F239 AromaticContact CG-CD1 3.98Å; H221-F239 AromaticContact CG-CE1 3.63Å; H221-F239 AromaticContact CG-CZ 3.85Å; H221-F239 AromaticContact ND1-CE1 3.91Å; H221-F239 AromaticContact NE2-CZ 3.95Å; H221-L240 PolarHBondContact O-N 2.88Å; H221-L240 VanDerWaalsContact O-N 3.16Å; H221-G243 WeakPolarHBondContact O-CA 3.12Å
222	T	98.7	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-135.9	-13.2	-178	49.4	0	0	0	0	115.1	D194 I220 L240 G243 M244 Q246 D264 R267 A268	D194-T222 PolarHBondContact OD1-N 2.87Å; I220-T222 HydrophobicContact CG2-CG2 4.42Å; T222-L240 HydrophobicContact CG2-CB 3.92Å; T222-L240 HydrophobicContact CG2-CD2 3.71Å; T222-L240 HydrophobicContact CG2-CG 4.33Å; T222-G243 CarbonylContact C-O 3.24Å; T222-G243 VanDerWaalsContact C-O 3.29Å; T222-M244 CarbonylContact O-C 3.59Å; T222-Q246 HydrophobicContact CG2-CG 4.28Å; T222-Q246 WeakPolarHBondContact O-CG 3.41Å; T222-Q246 PolarHBondContact O-NE2 3.22Å; T222-D264 WeakPolarHBondContact CB-O 3.31Å; T222-D264 PolarHBondContact OG1-O 2.58Å; T222-R267 HydrophobicContact CG2-CB 3.81Å; T222-R267 HydrophobicContact CG2-CG 3.92Å; T222-A268 HydrophobicContact CG2-CB 4.02Å; T222-A268 WeakPolarHBondContact OG1-CB 3.46Å; T222-A268 PolarHBondContact OG1-N 3.39Å
223	D	98.1	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.			trans	-141.9	46.3	-180	-173.5	41.7	0	0	0	112.8	D194 D225 Y226 F227 G228 G243 V261 D264 H265	D194-D223 PolarHBondContact OD1-N 3.14Å; D194-D223 VanDerWaalsContact OD1-N 3.16Å; D194-D223 VanDerWaalsContact OD2-CB 3.25Å; D194-D223 WeakPolarHBondContact OD2-CB 3.22Å; D194-D223 PolarHBondContact OD2-N 2.69Å; D223-D225 PolarHBondContact O-N 2.9Å; D223-D225 VanDerWaalsContact O-N 3.13Å; D223-Y226 PolarHBondContact O-N 3.27Å; D223-Y226 VanDerWaalsContact O-N 3.15Å; D223-F227 PolarHBondContact O-N 3.16Å; D223-F227 WeakPolarHBondContact OD2-CA 3.23Å; D223-F227 WeakPolarHBondContact OD2-CB 3.32Å; D223-F227 PolarHBondContact OD2-N 3.25Å; D223-G228 VanDerWaalsContact O-CA 3.31Å; D223-G228 WeakPolarHBondContact O-CA 3.45Å; D223-G228 PolarHBondContact O-N 2.98Å; D223-G243 PolarHBondContact N-O 3.24Å; D223-V261 WeakPolarHBondContact OD2-CG1 3.22Å; D223-D264 HydrophobicContact CB-CB 3.94Å; D223-H265 HydrophobicContact CB-CB 4.1Å
224	S	95.8	Very high	97.7	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.084	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.2	-169.8	-63.9	0	0	0	0	115.5	S230 G243	S224-S230 WeakPolarHBondContact O-CB 3.37Å; S224-S230 PolarHBondContact O-OG 3.41Å; S224-S230 VanDerWaalsContact O-OG 3.04Å; S224-G243 WeakPolarHBondContact CB-O 3.41Å; S224-G243 PolarHBondContact N-O 3.45Å; S224-G243 PolarHBondContact OG-O 3.09Å
225	D	94.3	Very high	97.7	Very high	68 Å²	68	22.3 Å²	22.3	36%	0.364	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.1	177.7	62.6	-38.3	0	0	0	113.6	D223 M244	D223-D225 PolarHBondContact O-N 2.9Å; D223-D225 VanDerWaalsContact O-N 3.13Å; D225-M244 HydrophobicContact CB-CG 4.13Å; D225-M244 HydrophobicContact CB-SD 4.32Å; D225-M244 WeakPolarHBondContact OD1-CB 3.46Å
226	Y	94.6	Very high	97.6	Very high	88 Å²	88	18 Å²	18	35%	0.345	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-88.5	174.5	-65	-84	0	0	0	113.4	D223 R251 Y260 V261	D223-Y226 PolarHBondContact O-N 3.27Å; D223-Y226 VanDerWaalsContact O-N 3.15Å; Y226-R251 PolarHBondContact OH-NH2 3.12Å; Y226-Y260 AromaticContact CE2-CE1 3.97Å; Y226-Y260 HydrophobicContact CE2-CE1 3.97Å; Y226-V261 VanDerWaalsContact CB-CG1 3.5Å; Y226-V261 HydrophobicContact CD1-CG2 3.94Å; Y226-V261 HydrophobicContact CD2-CG2 3.92Å; Y226-V261 HydrophobicContact CE1-CG2 4.31Å; Y226-V261 HydrophobicContact CE2-CG2 4.29Å; Y226-V261 HydrophobicContact CG-CG1 4.03Å; Y226-V261 HydrophobicContact CG-CG2 3.74Å
227	F	96.6	Very high	97.7	Very high	71 Å²	71	17.9 Å²	17.9	31%	0.311	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-28.6	-173.3	-62.5	-22.7	0	0	0	113.7	A196 G197 P198 D223 Y258 V261 I262 H265	A196-F227 CarbonylContact C-O 3.54Å; A196-F227 WeakPolarHBondContact CA-O 3.46Å; G197-F227 PolarHBondContact N-O 2.9Å; P198-F227 WeakPolarHBondContact CD-O 3.46Å; D223-F227 PolarHBondContact O-N 3.16Å; D223-F227 WeakPolarHBondContact OD2-CA 3.23Å; D223-F227 WeakPolarHBondContact OD2-CB 3.32Å; D223-F227 PolarHBondContact OD2-N 3.25Å; F227-Y258 HydrophobicContact CE2-CD2 4.48Å; F227-Y258 HydrophobicContact CE2-CE2 4.14Å; F227-Y258 HydrophobicContact CZ-CD2 4Å; F227-Y258 AromaticContact CZ-CE2 3.81Å; F227-Y258 HydrophobicContact CZ-CE2 3.81Å; F227-V261 HydrophobicContact CD1-CG1 3.98Å; F227-V261 HydrophobicContact CD2-CG1 3.42Å; F227-V261 VanDerWaalsContact CD2-CG1 3.42Å; F227-V261 HydrophobicContact CE1-CG1 3.94Å; F227-V261 HydrophobicContact CE2-CB 4.17Å; F227-V261 HydrophobicContact CE2-CG1 3.37Å; F227-V261 HydrophobicContact CG-CG1 3.73Å; F227-V261 HydrophobicContact CZ-CB 4.38Å; F227-V261 HydrophobicContact CZ-CG1 3.63Å; F227-I262 HydrophobicContact CE2-CG1 4.2Å; F227-H265 HydrophobicContact CD2-CB 4.17Å
228	G	98	Very high	97.6	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-79	154.9	179.8	0	0	0	0	0	113.7	P195 D223	P195-G228 CarbonylContact O-C 3.53Å; P195-G228 WeakPolarHBondContact O-CA 3.24Å; D223-G228 VanDerWaalsContact O-CA 3.31Å; D223-G228 WeakPolarHBondContact O-CA 3.45Å; D223-G228 PolarHBondContact O-N 2.98Å
229	I	98.2	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.			trans	-77.8	131	174.5	-164.7	166.1	0	0	0	110	P195 F200 K201 H221 I231 V233	P195-I229 HydrophobicContact CB-CG2 3.81Å; P195-I229 HydrophobicContact CG-CG2 4.31Å; P195-I229 WeakPolarHBondContact O-CG2 3.45Å; P195-I229 PolarHBondContact O-N 3.49Å; F200-I229 HydrophobicContact CB-CD1 4.21Å; K201-I229 HydrophobicContact CB-CD1 4.48Å; K201-I229 HydrophobicContact CB-CG1 4.18Å; H221-I229 PolarHBondContact CE1-O 3.31Å; H221-I229 PolarHBondContact ND1-O 2.91Å; I229-I231 HydrophobicContact CD1-CD1 4.15Å; I229-I231 HydrophobicContact CD1-CG1 3.72Å; I229-I231 HydrophobicContact CG1-CG1 3.66Å; I229-V233 HydrophobicContact CD1-CG1 3.94Å; I229-V233 HydrophobicContact CG2-CG1 4.11Å; I229-V233 HydrophobicContact CG2-CG2 4.48Å
230	S	97.3	Very high	97.6	Very high	40 Å²	40	18.4 Å²	18.4	28%	0.28	9%	0.093	S	C	.	.			trans	-89	-5.1	-176.4	7.7	0	0	0	0	114.9	K201 S224	K201-S230 WeakPolarHBondContact CE-OG 3.45Å; K201-S230 PolarHBondContact NZ-OG 3.44Å; S224-S230 WeakPolarHBondContact O-CB 3.37Å; S224-S230 PolarHBondContact O-OG 3.41Å; S224-S230 VanDerWaalsContact O-OG 3.04Å
231	I	97.3	Very high	97.6	Very high	48 Å²	48	19.4 Å²	19.4	25%	0.246	10%	0.098	C	C	.	.	S	Bend	trans	-100.8	149.9	178.6	59.7	164.9	0	0	0	109.5	K201 H221 I229 V233	K201-I231 HydrophobicContact CG-CG2 4.5Å; H221-I231 PolarHBondContact CE1-O 3.26Å; I229-I231 HydrophobicContact CD1-CD1 4.15Å; I229-I231 HydrophobicContact CD1-CG1 3.72Å; I229-I231 HydrophobicContact CG1-CG1 3.66Å; I231-V233 HydrophobicContact CG1-CG1 4.4Å
232	P	98	Very high	97.5	Very high	21 Å²	21	19.8 Å²	19.8	14%	0.136	10%	0.103	C	C	.	.			trans	-62.4	144.2	171.4	27.7	-34.1	0	0	0	110.3	D237 Q328	P232-D237 WeakPolarHBondContact CA-OD1 3.49Å; P232-D237 HydrophobicContact CB-CB 4.14Å; P232-D237 VanDerWaalsContact CB-CG 3.47Å; P232-D237 WeakPolarHBondContact CB-OD2 3.33Å; P232-Q328 HydrophobicContact CB-CB 4.31Å; P232-Q328 PolarHBondContact O-NE2 3.41Å
233	V	98.3	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.			trans	-139	-1.4	-177.5	-63.4	0	0	0	0	112.9	P195 L209 D210 P211 A219 I229 I231 D237	P195-V233 HydrophobicContact CG-CG2 4.09Å; L209-V233 HydrophobicContact CB-CB 4.34Å; L209-V233 HydrophobicContact CB-CG2 4.47Å; L209-V233 HydrophobicContact CD2-CG2 3.9Å; L209-V233 HydrophobicContact CG-CB 4.3Å; L209-V233 HydrophobicContact CG-CG2 4.23Å; L209-V233 WeakPolarHBondContact O-CB 3.47Å; D210-V233 CarbonylContact C-O 3.58Å; D210-V233 VanDerWaalsContact C-O 3.26Å; D210-V233 WeakPolarHBondContact CA-O 3.35Å; P211-V233 WeakPolarHBondContact CD-O 3.29Å; A219-V233 HydrophobicContact CB-CG2 3.56Å; I229-V233 HydrophobicContact CD1-CG1 3.94Å; I229-V233 HydrophobicContact CG2-CG1 4.11Å; I229-V233 HydrophobicContact CG2-CG2 4.48Å; I231-V233 HydrophobicContact CG1-CG1 4.4Å; V233-D237 PolarHBondContact N-OD1 2.9Å
234	G	98.1	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-123	175.6	178	0	0	0	0	0	113.7	V217 D237 Q328	V217-G234 CarbonylContact O-C 3.53Å; G234-D237 PolarHBondContact N-OD1 3.15Å; G234-D237 PolarHBondContact N-OD2 3.05Å; G234-Q328 WeakPolarHBondContact O-CA 3.38Å
235	H	97.9	Very high	97.3	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.111	14%	0.14	C	C	.	.	S	Bend	trans	-65.2	-35.8	165.5	-62	91.3	0	0	0	110	P211 F216 V217 P326 E329	P211-H235 PolarHBondContact O-CE1 3.06Å; F216-H235 HydrophobicContact CD2-CB 4.07Å; F216-H235 HydrophobicContact CE2-CB 3.8Å; V217-H235 PolarHBondContact N-ND1 3.38Å; V217-H235 WeakPolarHBondContact O-CB 3.21Å; V217-H235 PolarHBondContact O-N 3.17Å; H235-P326 PolarHBondContact CD2-O 2.75Å; H235-P326 VanDerWaalsContact CD2-O 3.24Å; H235-E329 PolarHBondContact O-N 3.12Å
236	A	97.5	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.9	174.2	0	0	0	0	0	110.8	F216 V217 E218 A219 F238 M320 L331	F216-A236 HydrophobicContact CZ-CB 4.21Å; V217-A236 PolarHBondContact O-N 3.4Å; E218-A236 CarbonylContact C-O 3.53Å; E218-A236 WeakPolarHBondContact CA-O 3.42Å; E218-A236 HydrophobicContact CB-CB 4.35Å; A219-A236 PolarHBondContact N-O 3.32Å; A236-F238 HydrophobicContact CB-CE2 4Å; A236-M320 HydrophobicContact CB-CE 3.88Å; A236-L331 HydrophobicContact CB-CD1 3.76Å
237	D	98.6	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	104	179.8	-64	-88.7	0	0	0	110.2	A219 H221 P232 V233 G234 F239 E329 L331	A219-D237 CarbonylContact O-C 3.45Å; A219-D237 WeakPolarHBondContact O-CA 3.14Å; H221-D237 IonicContact NE2-OD1 3.71Å; H221-D237 PolarHBondContact NE2-OD1 3.49Å; H221-D237 VanDerWaalsContact NE2-OD1 3.13Å; P232-D237 WeakPolarHBondContact CA-OD1 3.49Å; P232-D237 HydrophobicContact CB-CB 4.14Å; P232-D237 VanDerWaalsContact CB-CG 3.47Å; P232-D237 WeakPolarHBondContact CB-OD2 3.33Å; V233-D237 PolarHBondContact N-OD1 2.9Å; G234-D237 PolarHBondContact N-OD1 3.15Å; G234-D237 PolarHBondContact N-OD2 3.05Å; D237-F239 HydrophobicContact CB-CD2 4.33Å; D237-F239 HydrophobicContact CB-CE2 3.65Å; D237-F239 HydrophobicContact CB-CZ 4.43Å; D237-F239 WeakPolarHBondContact O-CD2 3.49Å; D237-E329 PolarHBondContact N-O 2.77Å; D237-L331 PolarHBondContact O-N 2.91Å
238	F	98.7	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110	179.5	-62.5	-94	0	0	0	110.9	E218 A219 I220 H221 A236 L240 P310 I312 L331 L333	E218-F238 HydrophobicContact CB-CE2 4.37Å; A219-F238 PolarHBondContact O-N 3.43Å; I220-F238 CarbonylContact C-O 3.55Å; H221-F238 PolarHBondContact N-O 3.03Å; A236-F238 HydrophobicContact CB-CE2 4Å; F238-L240 HydrophobicContact CB-CD1 3.69Å; F238-L240 VanDerWaalsContact O-CD1 3.28Å; F238-L240 WeakPolarHBondContact O-CD1 3.31Å; F238-P310 HydrophobicContact CE1-CB 4.21Å; F238-P310 HydrophobicContact CZ-CB 3.83Å; F238-I312 HydrophobicContact CB-CD1 4.17Å; F238-I312 HydrophobicContact CB-CG1 4.43Å; F238-I312 HydrophobicContact CD1-CD1 4.1Å; F238-I312 HydrophobicContact CD1-CG1 3.74Å; F238-I312 HydrophobicContact CD2-CG1 4.01Å; F238-I312 HydrophobicContact CE1-CG1 3.86Å; F238-I312 HydrophobicContact CE2-CG1 4.13Å; F238-I312 HydrophobicContact CG-CD1 4.08Å; F238-I312 HydrophobicContact CG-CG1 3.82Å; F238-I312 HydrophobicContact CZ-CG1 4.05Å; F238-L331 CarbonylContact C-O 3.58Å; F238-L331 WeakPolarHBondContact CA-O 3.44Å; F238-L331 HydrophobicContact CD1-CB 3.93Å; F238-L331 HydrophobicContact CD1-CD1 3.85Å; F238-L331 HydrophobicContact CD2-CD1 4.25Å; F238-L331 HydrophobicContact CE1-CB 4.32Å; F238-L331 HydrophobicContact CE1-CD1 3.52Å; F238-L331 HydrophobicContact CE2-CD1 3.95Å; F238-L331 HydrophobicContact CG-CB 4.36Å; F238-L331 HydrophobicContact CG-CD1 4.21Å; F238-L331 HydrophobicContact CZ-CD1 3.57Å; F238-L333 HydrophobicContact CB-CD2 4.29Å; F238-L333 HydrophobicContact CD1-CD2 4.24Å
239	F	98.7	Very high	97	Very high	12 Å²	12	19.6 Å²	19.6	5%	0.053	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	91.4	174.9	-70.1	-94	0	0	0	110.4	H221 D237 N241 G242 K330 L331 F332	H221-F239 HydrophobicContact CB-CD1 3.65Å; H221-F239 HydrophobicContact CB-CE1 3.79Å; H221-F239 HydrophobicContact CB-CG 4.2Å; H221-F239 HydrophobicContact CB-CZ 4.44Å; H221-F239 AromaticContact CD2-CE2 3.96Å; H221-F239 AromaticContact CD2-CZ 3.77Å; H221-F239 AromaticContact CG-CD1 3.98Å; H221-F239 AromaticContact CG-CE1 3.63Å; H221-F239 AromaticContact CG-CZ 3.85Å; H221-F239 AromaticContact ND1-CE1 3.91Å; H221-F239 AromaticContact NE2-CZ 3.95Å; D237-F239 HydrophobicContact CB-CD2 4.33Å; D237-F239 HydrophobicContact CB-CE2 3.65Å; D237-F239 HydrophobicContact CB-CZ 4.43Å; D237-F239 WeakPolarHBondContact O-CD2 3.49Å; F239-N241 PolarHBondContact O-N 3.21Å; F239-G242 PolarHBondContact O-N 2.96Å; F239-K330 HydrophobicContact CD2-CB 4.34Å; F239-K330 HydrophobicContact CD2-CG 4.45Å; F239-K330 HydrophobicContact CE2-CB 4.25Å; F239-K330 HydrophobicContact CE2-CD 4.29Å; F239-K330 HydrophobicContact CE2-CG 3.9Å; F239-L331 PolarHBondContact N-O 2.83Å; F239-F332 HydrophobicContact CB-CD1 3.61Å; F239-F332 HydrophobicContact CB-CE1 3.49Å; F239-F332 VanDerWaalsContact CB-CE1 3.49Å; F239-F332 HydrophobicContact CB-CZ 4.45Å; F239-F332 HydrophobicContact CD2-CE1 4.26Å; F239-F332 HydrophobicContact CD2-CZ 4.46Å; F239-F332 AromaticContact CG-CE1 3.94Å; F239-F332 HydrophobicContact CG-CE1 3.94Å
240	L	98.4	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.2	-174.5	-77.6	57.5	0	0	0	109.4	I220 H221 T222 F238 G242 G243 Q246 V271 I312 L333 T335	I220-L240 HydrophobicContact CG2-CD1 3.53Å; I220-L240 HydrophobicContact CG2-CD2 3.78Å; I220-L240 HydrophobicContact CG2-CG 4.33Å; H221-L240 PolarHBondContact O-N 2.88Å; H221-L240 VanDerWaalsContact O-N 3.16Å; T222-L240 HydrophobicContact CG2-CB 3.92Å; T222-L240 HydrophobicContact CG2-CD2 3.71Å; T222-L240 HydrophobicContact CG2-CG 4.33Å; F238-L240 HydrophobicContact CB-CD1 3.69Å; F238-L240 VanDerWaalsContact O-CD1 3.28Å; F238-L240 WeakPolarHBondContact O-CD1 3.31Å; L240-G242 PolarHBondContact O-N 3.25Å; L240-G242 VanDerWaalsContact O-N 3.09Å; L240-G243 WeakPolarHBondContact O-CA 3.47Å; L240-G243 PolarHBondContact O-N 3.27Å; L240-Q246 PolarHBondContact O-NE2 2.76Å; L240-Q246 PolarHBondContact O-OE1 3.01Å; L240-V271 HydrophobicContact CD2-CB 3.96Å; L240-V271 HydrophobicContact CD2-CG1 3.87Å; L240-V271 HydrophobicContact CD2-CG2 3.84Å; L240-I312 HydrophobicContact CD1-CD1 4.09Å; L240-L333 HydrophobicContact CD1-CD2 3.64Å; L240-L333 HydrophobicContact CG-CD2 3.9Å; L240-L333 HydrophobicContact CG-CG 4.45Å; L240-T335 HydrophobicContact CD2-CG2 4.38Å; L240-T335 HydrophobicContact CG-CG2 4.23Å
241	N	97.8	Very high	95.7	Very high	20 Å²	20	26 Å²	26	11%	0.107	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	29	-173.9	-53	-56.8	0	0	0	112.8	F239 G243 D245 Q246 Y290 L333 L334 T335	F239-N241 PolarHBondContact O-N 3.21Å; N241-G243 VanDerWaalsContact C-N 3.34Å; N241-D245 WeakPolarHBondContact CB-O 3.01Å; N241-Q246 PolarHBondContact ND2-OE1 3.49Å; N241-Y290 VanDerWaalsContact C-OH 3.24Å; N241-Y290 WeakPolarHBondContact O-CE1 3.09Å; N241-Y290 VanDerWaalsContact O-CZ 3.3Å; N241-Y290 PolarHBondContact O-OH 2.87Å; N241-L333 PolarHBondContact N-O 2.99Å; N241-L334 WeakPolarHBondContact OD1-CA 3.24Å; N241-T335 PolarHBondContact ND2-OG1 2.79Å; N241-T335 PolarHBondContact OD1-N 3.21Å; N241-T335 PolarHBondContact OD1-O 2.95Å
242	G	97.4	Very high	94.9	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-2.4	-175	0	0	0	0	0	114.7	F239 L240 Y290	F239-G242 PolarHBondContact O-N 2.96Å; L240-G242 PolarHBondContact O-N 3.25Å; L240-G242 VanDerWaalsContact O-N 3.09Å; G242-Y290 VanDerWaalsContact CA-CD1 3.47Å; G242-Y290 VanDerWaalsContact CA-CG 3.4Å
243	G	97.3	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	81.2	15.4	173.5	0	0	0	0	0	115.4	H221 T222 D223 S224 L240 N241	H221-G243 WeakPolarHBondContact O-CA 3.12Å; T222-G243 CarbonylContact C-O 3.24Å; T222-G243 VanDerWaalsContact C-O 3.29Å; D223-G243 PolarHBondContact N-O 3.24Å; S224-G243 WeakPolarHBondContact CB-O 3.41Å; S224-G243 PolarHBondContact N-O 3.45Å; S224-G243 PolarHBondContact OG-O 3.09Å; L240-G243 WeakPolarHBondContact O-CA 3.47Å; L240-G243 PolarHBondContact O-N 3.27Å; N241-G243 VanDerWaalsContact C-N 3.34Å
244	M	95.5	Very high	93.1	Very high	80 Å²	80	40 Å²	40	39%	0.394	21%	0.211	S	C	.	.	S	Bend	trans	-121	-79.8	-179.1	-60.7	176.9	-61.2	0	0	110.3	T222 D225	T222-M244 CarbonylContact O-C 3.59Å; D225-M244 HydrophobicContact CB-CG 4.13Å; D225-M244 HydrophobicContact CB-SD 4.32Å; D225-M244 WeakPolarHBondContact OD1-CB 3.46Å
245	D	95.1	Very high	92.3	Very high	87 Å²	87	49.9 Å²	49.9	47%	0.465	26%	0.257	S	S	.	.	S	Bend	trans	-93	118.8	-178	-68.9	-71.3	0	0	0	112.2	N241 Y260	N241-D245 WeakPolarHBondContact CB-O 3.01Å; D245-Y260 PolarHBondContact OD1-OH 2.02Å
246	Q	96.9	Very high	91.7	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.033	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-94	142.7	-179.1	-52.6	-56.9	-46.1	0	0	112.4	T222 L240 N241 G248 C249 D264 R267	T222-Q246 HydrophobicContact CG2-CG 4.28Å; T222-Q246 WeakPolarHBondContact O-CG 3.41Å; T222-Q246 PolarHBondContact O-NE2 3.22Å; L240-Q246 PolarHBondContact O-NE2 2.76Å; L240-Q246 PolarHBondContact O-OE1 3.01Å; N241-Q246 PolarHBondContact ND2-OE1 3.49Å; Q246-G248 PolarHBondContact O-N 2.63Å; Q246-C249 HydrophobicContact CB-CB 4.32Å; Q246-C249 WeakPolarHBondContact O-CB 3.32Å; Q246-C249 PolarHBondContact O-N 3.34Å; Q246-D264 WeakPolarHBondContact CA-OD1 3.22Å; Q246-D264 WeakPolarHBondContact CB-OD1 2.96Å; Q246-D264 HydrophobicContact CG-CB 4.18Å; Q246-D264 VanDerWaalsContact CG-OD1 3.27Å; Q246-D264 WeakPolarHBondContact CG-OD1 3.4Å; Q246-D264 PolarHBondContact N-OD1 2.96Å; Q246-R267 HydrophobicContact CB-CB 4.15Å; Q246-R267 HydrophobicContact CB-CG 3.9Å; Q246-R267 HydrophobicContact CG-CB 3.71Å; Q246-R267 HydrophobicContact CG-CG 3.72Å
247	A	94.1	Very high	90.9	Very high	33 Å²	33	56.2 Å²	56.2	27%	0.273	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	128.9	176.8	0	0	0	0	0	111.1	C249 R267 S337	A247-C249 VanDerWaalsContact C-N 3.27Å; A247-C249 PolarHBondContact O-N 3.21Å; A247-R267 PolarHBondContact O-NH1 3.26Å; A247-R267 PolarHBondContact O-NH2 3.06Å; A247-S337 VanDerWaalsContact O-CA 3.26Å; A247-S337 WeakPolarHBondContact O-CA 3.17Å
248	G	92.5	Very high	90.3	Very high	25 Å²	25	62.2 Å²	62.2	26%	0.258	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-13	-177.3	0	0	0	0	0	115.2	Q246 A250	Q246-G248 PolarHBondContact O-N 2.63Å; G248-A250 VanDerWaalsContact C-N 3.32Å; G248-A250 PolarHBondContact O-N 2.96Å
249	C	93.9	Very high	89.8	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.034	33%	0.327	C	S	.	.			trans	-88.8	65.3	171.3	-61.3	0	0	0	0	109.9	Q246 A247 F254 Y260 C263 D264 R267	Q246-C249 HydrophobicContact CB-CB 4.32Å; Q246-C249 WeakPolarHBondContact O-CB 3.32Å; Q246-C249 PolarHBondContact O-N 3.34Å; A247-C249 VanDerWaalsContact C-N 3.27Å; A247-C249 PolarHBondContact O-N 3.21Å; C249-F254 HydrophobicContact CB-CE2 4.47Å; C249-Y260 HydrophobicContact CB-CD2 4.46Å; C249-Y260 WeakPolarHBondContact O-CD2 3.29Å; C249-Y260 WeakPolarHBondContact O-CE2 3.45Å; C249-C263 WeakPolarHBondContact CA-SG 3.43Å; C249-C263 HydrophobicContact CB-CB 3.69Å; C249-C263 WeakPolarHBondContact CB-SG 3.4Å; C249-C263 WeakPolarHBondContact SG-CB 3.34Å; C249-C263 PolarHBondContact SG-O 3.47Å; C249-C263 VanDerWaalsContact SG-O 3.36Å; C249-C263 CovalentContact SG-SG 2.05Å; C249-C263 PolarHBondContact SG-SG 3.06Å; C249-D264 WeakPolarHBondContact CB-OD1 3.5Å; C249-R267 PolarHBondContact SG-NH2 2.96Å
250	A	85.4	Confident	89.3	Confident	36 Å²	36	62.7 Å²	62.7	30%	0.298	33%	0.325	S	S	.	.			trans	-95.3	130.9	-176.9	0	0	0	0	0	111.8	G248 S252 R253 F254	G248-A250 VanDerWaalsContact C-N 3.32Å; G248-A250 PolarHBondContact O-N 2.96Å; A250-S252 PolarHBondContact O-N 3.36Å; A250-R253 HydrophobicContact CB-CG 4.26Å; A250-R253 WeakPolarHBondContact O-CB 3.44Å; A250-R253 PolarHBondContact O-N 2.88Å; A250-F254 WeakPolarHBondContact O-CD2 3.31Å
251	R	83.3	Confident	89	Confident	139 Å²	139	62.9 Å²	62.9	53%	0.525	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-47.7	-38.4	178.2	-68	-177.4	-176.4	167.6	3.9	114.3	Y226 R253 F254 Y260	Y226-R251 PolarHBondContact OH-NH2 3.12Å; R251-R253 VanDerWaalsContact C-N 3.25Å; R251-R253 PolarHBondContact O-N 2.78Å; R251-F254 PolarHBondContact O-N 2.91Å; R251-F254 VanDerWaalsContact O-O 3.08Å; R251-Y260 HydrophobicContact CG-CD1 3.89Å; R251-Y260 HydrophobicContact CG-CD2 3.94Å; R251-Y260 HydrophobicContact CG-CE1 4.07Å; R251-Y260 HydrophobicContact CG-CE2 4.09Å; R251-Y260 HydrophobicContact CG-CG 3.82Å
252	S	80.5	Confident	88.8	Confident	116 Å²	116	64.7 Å²	64.7	81%	0.811	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.4	-15.9	179.9	63.2	0	0	0	0	114.6	A250	A250-S252 PolarHBondContact O-N 3.36Å
253	R	78.8	Confident	88.7	Confident	181 Å²	181	65.5 Å²	65.5	68%	0.683	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-94	-14.6	178	-66.6	-175.1	178.7	172.7	-0.3	113	A250 R251	A250-R253 HydrophobicContact CB-CG 4.26Å; A250-R253 WeakPolarHBondContact O-CB 3.44Å; A250-R253 PolarHBondContact O-N 2.88Å; R251-R253 VanDerWaalsContact C-N 3.25Å; R251-R253 PolarHBondContact O-N 2.78Å
254	F	79.1	Confident	88.7	Confident	66 Å²	66	65.5 Å²	65.5	29%	0.289	34%	0.34	S	S	.	.	S	Bend	trans	-106.1	138.1	177.7	-64	-82.7	0	0	0	110.1	C249 A250 R251 S256 C263	C249-F254 HydrophobicContact CB-CE2 4.47Å; A250-F254 WeakPolarHBondContact O-CD2 3.31Å; R251-F254 PolarHBondContact O-N 2.91Å; R251-F254 VanDerWaalsContact O-O 3.08Å; F254-S256 PolarHBondContact O-N 3.26Å; F254-C263 HydrophobicContact CE1-CB 4.02Å; F254-C263 HydrophobicContact CE2-CB 4.11Å; F254-C263 HydrophobicContact CZ-CB 3.64Å; F254-C263 WeakPolarHBondContact CZ-SG 3.22Å
255	E	79.9	Confident	88.8	Confident	208 Å²	208	62.5 Å²	62.5	97%	0.972	33%	0.325	S	S	*	.	S	Bend	trans	-66.5	-17.1	180	-62.6	-178.8	168.3	0	0	112.7
256	S	86.4	Confident	89	Confident	59 Å²	59	59.9 Å²	59.9	41%	0.413	31%	0.31	S	S	.	.	S	Bend	trans	-144.1	154.6	-179.1	66.5	0	0	0	0	112.5	F254 Y258 G259 Y260	F254-S256 PolarHBondContact O-N 3.26Å; S256-Y258 PolarHBondContact O-N 3Å; S256-G259 PolarHBondContact O-N 2.87Å; S256-G259 VanDerWaalsContact O-N 3.12Å; S256-G259 PolarHBondContact OG-N 2.68Å; S256-Y260 PolarHBondContact O-N 3.05Å
257	M	81.5	Confident	89	Confident	97 Å²	97	60.2 Å²	60.2	48%	0.478	31%	0.311	S	S	.	.	H	α-helix	trans	-53.2	-41.8	168.5	-177.4	66.3	78.3	0	0	110.8	G259 Y260 V261	M257-G259 VanDerWaalsContact C-N 3.32Å; M257-G259 PolarHBondContact O-N 2.79Å; M257-Y260 PolarHBondContact O-N 3.25Å; M257-Y260 HydrophobicContact SD-CD1 3.68Å; M257-Y260 HydrophobicContact SD-CE1 4.01Å; M257-V261 HydrophobicContact CG-CG2 4.27Å; M257-V261 WeakPolarHBondContact O-CG2 3.43Å; M257-V261 PolarHBondContact O-N 2.87Å; M257-V261 HydrophobicContact SD-CG2 4.36Å
258	Y	85.6	Confident	89.2	Confident	126 Å²	126	58.6 Å²	58.6	49%	0.494	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-39.5	178.8	-172.2	-111.3	0	0	0	112.7	F227 S256 I262	F227-Y258 HydrophobicContact CE2-CD2 4.48Å; F227-Y258 HydrophobicContact CE2-CE2 4.14Å; F227-Y258 HydrophobicContact CZ-CD2 4Å; F227-Y258 AromaticContact CZ-CE2 3.81Å; F227-Y258 HydrophobicContact CZ-CE2 3.81Å; S256-Y258 PolarHBondContact O-N 3Å; Y258-I262 HydrophobicContact CD1-CD1 3.54Å; Y258-I262 HydrophobicContact CD1-CG1 4.49Å; Y258-I262 HydrophobicContact CD2-CD1 4.4Å; Y258-I262 HydrophobicContact CE1-CD1 3.1Å; Y258-I262 HydrophobicContact CE1-CG1 4.23Å; Y258-I262 HydrophobicContact CE2-CD1 4.03Å; Y258-I262 HydrophobicContact CE2-CG1 4.39Å; Y258-I262 HydrophobicContact CG-CD1 4.18Å; Y258-I262 WeakPolarHBondContact O-CB 3.33Å; Y258-I262 WeakPolarHBondContact O-CG1 3.32Å; Y258-I262 PolarHBondContact O-N 2.93Å
259	G	87.1	Confident	89.5	Confident	20 Å²	20	57.5 Å²	57.5	21%	0.206	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-38.7	176.4	0	0	0	0	0	113.3	S256 M257 C263	S256-G259 PolarHBondContact O-N 2.87Å; S256-G259 VanDerWaalsContact O-N 3.12Å; S256-G259 PolarHBondContact OG-N 2.68Å; M257-G259 VanDerWaalsContact C-N 3.32Å; M257-G259 PolarHBondContact O-N 2.79Å; G259-C263 WeakPolarHBondContact O-CB 3.47Å; G259-C263 PolarHBondContact O-N 3.03Å
260	Y	88.9	Confident	89.7	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-51.8	174.1	151.5	-101.1	0	0	0	111.5	Y226 D245 C249 R251 S256 M257 I262 C263 D264	Y226-Y260 AromaticContact CE2-CE1 3.97Å; Y226-Y260 HydrophobicContact CE2-CE1 3.97Å; D245-Y260 PolarHBondContact OD1-OH 2.02Å; C249-Y260 HydrophobicContact CB-CD2 4.46Å; C249-Y260 WeakPolarHBondContact O-CD2 3.29Å; C249-Y260 WeakPolarHBondContact O-CE2 3.45Å; R251-Y260 HydrophobicContact CG-CD1 3.89Å; R251-Y260 HydrophobicContact CG-CD2 3.94Å; R251-Y260 HydrophobicContact CG-CE1 4.07Å; R251-Y260 HydrophobicContact CG-CE2 4.09Å; R251-Y260 HydrophobicContact CG-CG 3.82Å; S256-Y260 PolarHBondContact O-N 3.05Å; M257-Y260 PolarHBondContact O-N 3.25Å; M257-Y260 HydrophobicContact SD-CD1 3.68Å; M257-Y260 HydrophobicContact SD-CE1 4.01Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.33Å; Y260-C263 WeakPolarHBondContact O-CA 3.19Å; Y260-C263 WeakPolarHBondContact O-CB 3.39Å; Y260-C263 PolarHBondContact O-N 2.78Å; Y260-D264 WeakPolarHBondContact CD2-OD2 3.48Å; Y260-D264 WeakPolarHBondContact CE2-OD2 3.38Å; Y260-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y260-D264 PolarHBondContact O-N 2.93Å; Y260-D264 VanDerWaalsContact O-N 3.08Å
261	V	91.4	Very high	90.3	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-40.4	179.1	178	0	0	0	0	111.5	D223 Y226 F227 M257 C263 D264 H265	D223-V261 WeakPolarHBondContact OD2-CG1 3.22Å; Y226-V261 VanDerWaalsContact CB-CG1 3.5Å; Y226-V261 HydrophobicContact CD1-CG2 3.94Å; Y226-V261 HydrophobicContact CD2-CG2 3.92Å; Y226-V261 HydrophobicContact CE1-CG2 4.31Å; Y226-V261 HydrophobicContact CE2-CG2 4.29Å; Y226-V261 HydrophobicContact CG-CG1 4.03Å; Y226-V261 HydrophobicContact CG-CG2 3.74Å; F227-V261 HydrophobicContact CD1-CG1 3.98Å; F227-V261 HydrophobicContact CD2-CG1 3.42Å; F227-V261 VanDerWaalsContact CD2-CG1 3.42Å; F227-V261 HydrophobicContact CE1-CG1 3.94Å; F227-V261 HydrophobicContact CE2-CB 4.17Å; F227-V261 HydrophobicContact CE2-CG1 3.37Å; F227-V261 HydrophobicContact CG-CG1 3.73Å; F227-V261 HydrophobicContact CZ-CB 4.38Å; F227-V261 HydrophobicContact CZ-CG1 3.63Å; M257-V261 HydrophobicContact CG-CG2 4.27Å; M257-V261 WeakPolarHBondContact O-CG2 3.43Å; M257-V261 PolarHBondContact O-N 2.87Å; M257-V261 HydrophobicContact SD-CG2 4.36Å; V261-C263 VanDerWaalsContact C-N 3.3Å; V261-C263 PolarHBondContact O-N 2.85Å; V261-D264 PolarHBondContact O-N 3.46Å; V261-H265 VanDerWaalsContact O-CB 3.28Å; V261-H265 WeakPolarHBondContact O-CB 3.3Å; V261-H265 PolarHBondContact O-N 2.8Å
262	I	93.3	Very high	91	Very high	59 Å²	59	52.5 Å²	52.5	30%	0.303	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-38.5	172.9	-74.6	172.1	0	0	0	111.8	F227 Y258 Y260 D264 H265 M266	F227-I262 HydrophobicContact CE2-CG1 4.2Å; Y258-I262 HydrophobicContact CD1-CD1 3.54Å; Y258-I262 HydrophobicContact CD1-CG1 4.49Å; Y258-I262 HydrophobicContact CD2-CD1 4.4Å; Y258-I262 HydrophobicContact CE1-CD1 3.1Å; Y258-I262 HydrophobicContact CE1-CG1 4.23Å; Y258-I262 HydrophobicContact CE2-CD1 4.03Å; Y258-I262 HydrophobicContact CE2-CG1 4.39Å; Y258-I262 HydrophobicContact CG-CD1 4.18Å; Y258-I262 WeakPolarHBondContact O-CB 3.33Å; Y258-I262 WeakPolarHBondContact O-CG1 3.32Å; Y258-I262 PolarHBondContact O-N 2.93Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 3.33Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-H265 PolarHBondContact O-N 3.41Å; I262-M266 HydrophobicContact CG2-CG 3.93Å; I262-M266 VanDerWaalsContact O-CB 3.31Å; I262-M266 WeakPolarHBondContact O-CB 3.49Å; I262-M266 VanDerWaalsContact O-CG 3.24Å; I262-M266 WeakPolarHBondContact O-CG 3.21Å; I262-M266 PolarHBondContact O-N 2.87Å
263	C	96.5	Very high	91.8	Very high	26 Å²	26	47.8 Å²	47.8	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-45.7	178.7	-178.2	0	0	0	0	111	C249 F254 G259 Y260 V261 R267	C249-C263 WeakPolarHBondContact CA-SG 3.43Å; C249-C263 HydrophobicContact CB-CB 3.69Å; C249-C263 WeakPolarHBondContact CB-SG 3.4Å; C249-C263 WeakPolarHBondContact SG-CB 3.34Å; C249-C263 PolarHBondContact SG-O 3.47Å; C249-C263 VanDerWaalsContact SG-O 3.36Å; C249-C263 CovalentContact SG-SG 2.05Å; C249-C263 PolarHBondContact SG-SG 3.06Å; F254-C263 HydrophobicContact CE1-CB 4.02Å; F254-C263 HydrophobicContact CE2-CB 4.11Å; F254-C263 HydrophobicContact CZ-CB 3.64Å; F254-C263 WeakPolarHBondContact CZ-SG 3.22Å; G259-C263 WeakPolarHBondContact O-CB 3.47Å; G259-C263 PolarHBondContact O-N 3.03Å; Y260-C263 WeakPolarHBondContact O-CA 3.19Å; Y260-C263 WeakPolarHBondContact O-CB 3.39Å; Y260-C263 PolarHBondContact O-N 2.78Å; V261-C263 VanDerWaalsContact C-N 3.3Å; V261-C263 PolarHBondContact O-N 2.85Å; C263-R267 PolarHBondContact O-N 3.24Å
264	D	97.7	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-49.7	175.9	-69.5	-42.4	0	0	0	110.6	T222 D223 Q246 C249 Y260 V261 I262 M266 R267	T222-D264 WeakPolarHBondContact CB-O 3.31Å; T222-D264 PolarHBondContact OG1-O 2.58Å; D223-D264 HydrophobicContact CB-CB 3.94Å; Q246-D264 WeakPolarHBondContact CA-OD1 3.22Å; Q246-D264 WeakPolarHBondContact CB-OD1 2.96Å; Q246-D264 HydrophobicContact CG-CB 4.18Å; Q246-D264 VanDerWaalsContact CG-OD1 3.27Å; Q246-D264 WeakPolarHBondContact CG-OD1 3.4Å; Q246-D264 PolarHBondContact N-OD1 2.96Å; C249-D264 WeakPolarHBondContact CB-OD1 3.5Å; Y260-D264 WeakPolarHBondContact CD2-OD2 3.48Å; Y260-D264 WeakPolarHBondContact CE2-OD2 3.38Å; Y260-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y260-D264 PolarHBondContact O-N 2.93Å; Y260-D264 VanDerWaalsContact O-N 3.08Å; V261-D264 PolarHBondContact O-N 3.46Å; I262-D264 VanDerWaalsContact C-N 3.33Å; D264-M266 VanDerWaalsContact C-N 3.31Å; D264-M266 PolarHBondContact O-N 3.3Å; D264-R267 WeakPolarHBondContact O-CB 3.4Å; D264-R267 PolarHBondContact O-N 3.46Å
265	H	97.9	Very high	93.5	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-40.9	-179.2	-169.6	52.1	0	0	0	113.1	S170 D194 D223 F227 V261 I262 R267	S170-H265 WeakPolarHBondContact CB-NE2 3.46Å; S170-H265 PolarHBondContact OG-CE1 3.4Å; S170-H265 PolarHBondContact OG-NE2 2.88Å; D194-H265 PolarHBondContact O-CE1 3.06Å; D194-H265 VanDerWaalsContact O-CE1 3.26Å; D194-H265 WeakPolarHBondContact OD2-CA 3.28Å; D194-H265 IonicContact OD2-CE1 3.23Å; D194-H265 IonicContact OD2-CG 2.64Å; D194-H265 IonicContact OD2-ND1 3.7Å; D194-H265 PolarHBondContact OD2-ND1 2.83Å; D223-H265 HydrophobicContact CB-CB 4.1Å; F227-H265 HydrophobicContact CD2-CB 4.17Å; V261-H265 VanDerWaalsContact O-CB 3.28Å; V261-H265 WeakPolarHBondContact O-CB 3.3Å; V261-H265 PolarHBondContact O-N 2.8Å; I262-H265 PolarHBondContact O-N 3.41Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 2.88Å
266	M	97.7	Very high	94.2	Very high	32 Å²	32	28.1 Å²	28.1	16%	0.158	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.9	179.7	-63.5	-57.8	-52.3	0	0	113.4	W104 I262 D264 A268 L269 H270	W104-M266 VanDerWaalsContact CD1-CE 3.48Å; W104-M266 HydrophobicContact CG-CE 4.13Å; I262-M266 HydrophobicContact CG2-CG 3.93Å; I262-M266 VanDerWaalsContact O-CB 3.31Å; I262-M266 WeakPolarHBondContact O-CB 3.49Å; I262-M266 VanDerWaalsContact O-CG 3.24Å; I262-M266 WeakPolarHBondContact O-CG 3.21Å; I262-M266 PolarHBondContact O-N 2.87Å; D264-M266 VanDerWaalsContact C-N 3.31Å; D264-M266 PolarHBondContact O-N 3.3Å; M266-A268 VanDerWaalsContact C-N 3.35Å; M266-A268 PolarHBondContact O-N 3.33Å; M266-L269 HydrophobicContact CE-CB 4.19Å; M266-L269 HydrophobicContact CE-CD2 3.33Å; M266-L269 HydrophobicContact CE-CG 4.4Å; M266-L269 PolarHBondContact O-N 3.26Å; M266-H270 PolarHBondContact O-N 3.26Å; M266-H270 PolarHBondContact O-ND1 3.23Å
267	R	98.3	Very high	94.4	Very high	13 Å²	13	30.8 Å²	30.8	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-39.7	179.4	-177.4	61.1	55.3	147.2	5.9	111.9	T222 Q246 A247 C249 C263 D264 H265 L269 H270 V271 S337 F341	T222-R267 HydrophobicContact CG2-CB 3.81Å; T222-R267 HydrophobicContact CG2-CG 3.92Å; Q246-R267 HydrophobicContact CB-CB 4.15Å; Q246-R267 HydrophobicContact CB-CG 3.9Å; Q246-R267 HydrophobicContact CG-CB 3.71Å; Q246-R267 HydrophobicContact CG-CG 3.72Å; A247-R267 PolarHBondContact O-NH1 3.26Å; A247-R267 PolarHBondContact O-NH2 3.06Å; C249-R267 PolarHBondContact SG-NH2 2.96Å; C263-R267 PolarHBondContact O-N 3.24Å; D264-R267 WeakPolarHBondContact O-CB 3.4Å; D264-R267 PolarHBondContact O-N 3.46Å; H265-R267 VanDerWaalsContact C-N 3.3Å; H265-R267 PolarHBondContact O-N 2.88Å; R267-L269 VanDerWaalsContact C-N 3.25Å; R267-L269 PolarHBondContact O-N 3.15Å; R267-H270 PolarHBondContact O-N 2.79Å; R267-H270 VanDerWaalsContact O-N 3.16Å; R267-V271 HydrophobicContact CG-CG2 4.02Å; R267-V271 WeakPolarHBondContact O-CG2 3.13Å; R267-V271 PolarHBondContact O-N 3.42Å; R267-S337 PolarHBondContact NH1-O 2.81Å; R267-F341 VanDerWaalsContact NH1-CD1 3.32Å
268	A	98.4	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-43.9	177.9	0	0	0	0	0	111.6	L193 D194 I220 T222 M266 Y272	L193-A268 HydrophobicContact CB-CB 4.21Å; D194-A268 HydrophobicContact CB-CB 3.82Å; I220-A268 HydrophobicContact CB-CB 3.96Å; I220-A268 HydrophobicContact CG2-CB 3.63Å; T222-A268 HydrophobicContact CG2-CB 4.02Å; T222-A268 WeakPolarHBondContact OG1-CB 3.46Å; T222-A268 PolarHBondContact OG1-N 3.39Å; M266-A268 VanDerWaalsContact C-N 3.35Å; M266-A268 PolarHBondContact O-N 3.33Å; A268-Y272 WeakPolarHBondContact O-CB 3.37Å; A268-Y272 PolarHBondContact O-N 3.29Å
269	L	98.3	Very high	94.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-49.2	176.1	176.5	67.4	0	0	0	112.5	W104 L108 V169 L193 M266 R267 V271 Y272 I273	W104-L269 HydrophobicContact CB-CD2 3.52Å; W104-L269 HydrophobicContact CD2-CD2 3.33Å; W104-L269 HydrophobicContact CE3-CD1 3.99Å; W104-L269 HydrophobicContact CE3-CD2 3.61Å; W104-L269 HydrophobicContact CE3-CG 4.47Å; W104-L269 HydrophobicContact CG-CD2 3.28Å; W104-L269 HydrophobicContact CZ3-CD1 4.32Å; W104-L269 HydrophobicContact CZ3-CD2 4.47Å; L108-L269 HydrophobicContact CB-CD1 4.43Å; L108-L269 HydrophobicContact CD1-CD1 4.38Å; L108-L269 HydrophobicContact CD2-CD1 3.89Å; L108-L269 HydrophobicContact CG-CD1 4.46Å; V169-L269 HydrophobicContact CG2-CD1 4.26Å; L193-L269 HydrophobicContact CD1-CB 4.47Å; L193-L269 HydrophobicContact CD1-CD1 3.78Å; M266-L269 HydrophobicContact CE-CB 4.19Å; M266-L269 HydrophobicContact CE-CD2 3.33Å; M266-L269 HydrophobicContact CE-CG 4.4Å; M266-L269 PolarHBondContact O-N 3.26Å; R267-L269 VanDerWaalsContact C-N 3.25Å; R267-L269 PolarHBondContact O-N 3.15Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.19Å; L269-Y272 PolarHBondContact O-N 2.9Å; L269-I273 HydrophobicContact CD1-CD1 3.95Å; L269-I273 HydrophobicContact CD1-CG1 4.22Å; L269-I273 HydrophobicContact CG-CD1 3.91Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.23Å
270	H	97.8	Very high	94.2	Very high	76 Å²	76	26.9 Å²	26.9	35%	0.352	16%	0.162	S	C	.	.	H	α-helix	trans	-64.9	-38.2	-177.9	-64.3	145.9	0	0	0	112.3	M266 R267 S274 F341	M266-H270 PolarHBondContact O-N 3.26Å; M266-H270 PolarHBondContact O-ND1 3.23Å; R267-H270 PolarHBondContact O-N 2.79Å; R267-H270 VanDerWaalsContact O-N 3.16Å; H270-S274 WeakPolarHBondContact O-CB 3.46Å; H270-S274 PolarHBondContact O-N 3.44Å; H270-S274 PolarHBondContact O-OG 2.89Å; H270-F341 HydrophobicContact CB-CE2 3.84Å; H270-F341 HydrophobicContact CB-CZ 3.9Å; H270-F341 WeakPolarHBondContact O-CE2 3.2Å
271	V	98.1	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-44.9	175.2	173.4	0	0	0	0	110.4	L240 R267 L269 I273 S274 A275 L282 I312 F341	L240-V271 HydrophobicContact CD2-CB 3.96Å; L240-V271 HydrophobicContact CD2-CG1 3.87Å; L240-V271 HydrophobicContact CD2-CG2 3.84Å; R267-V271 HydrophobicContact CG-CG2 4.02Å; R267-V271 WeakPolarHBondContact O-CG2 3.13Å; R267-V271 PolarHBondContact O-N 3.42Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.19Å; V271-I273 PolarHBondContact O-N 2.84Å; V271-S274 WeakPolarHBondContact O-CB 3.26Å; V271-S274 PolarHBondContact O-N 3.27Å; V271-S274 VanDerWaalsContact O-N 3.13Å; V271-A275 WeakPolarHBondContact O-CB 3.17Å; V271-A275 PolarHBondContact O-N 2.88Å; V271-L282 HydrophobicContact CG1-CD1 3.69Å; V271-L282 HydrophobicContact CG1-CD2 4.13Å; V271-L282 HydrophobicContact CG1-CG 4.48Å; V271-I312 HydrophobicContact CG1-CD1 4.16Å; V271-F341 HydrophobicContact CB-CD2 4.36Å; V271-F341 HydrophobicContact CG2-CB 4.09Å; V271-F341 HydrophobicContact CG2-CD2 3.69Å; V271-F341 HydrophobicContact CG2-CE2 4.23Å; V271-F341 HydrophobicContact CG2-CG 3.86Å
272	Y	98.2	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-46.1	175.9	-171.9	-106.4	0	0	0	112.2	L108 H165 I167 T191 L193 I220 A268 L269 S274 A275 L276 I312	L108-Y272 HydrophobicContact CD1-CD1 3.91Å; L108-Y272 HydrophobicContact CD1-CE1 4.12Å; H165-Y272 PolarHBondContact CE1-OH 2.85Å; I167-Y272 HydrophobicContact CD1-CE1 4.08Å; I167-Y272 HydrophobicContact CG1-CE1 4.43Å; I167-Y272 HydrophobicContact CG2-CE1 4.13Å; T191-Y272 HydrophobicContact CG2-CD2 4.15Å; T191-Y272 HydrophobicContact CG2-CE2 3.83Å; L193-Y272 HydrophobicContact CD1-CD1 4.15Å; L193-Y272 HydrophobicContact CD1-CG 4.41Å; L193-Y272 HydrophobicContact CD2-CD1 4.34Å; L193-Y272 HydrophobicContact CD2-CD2 4.21Å; L193-Y272 HydrophobicContact CD2-CG 3.84Å; I220-Y272 HydrophobicContact CD1-CD2 4.04Å; A268-Y272 WeakPolarHBondContact O-CB 3.37Å; A268-Y272 PolarHBondContact O-N 3.29Å; L269-Y272 PolarHBondContact O-N 2.9Å; Y272-S274 VanDerWaalsContact C-N 3.26Å; Y272-S274 PolarHBondContact O-N 2.99Å; Y272-A275 WeakPolarHBondContact O-CB 3.27Å; Y272-A275 PolarHBondContact O-N 3.41Å; Y272-A275 VanDerWaalsContact O-N 3.14Å; Y272-L276 HydrophobicContact CD1-CD1 4.28Å; Y272-L276 HydrophobicContact CE1-CD1 4.05Å; Y272-L276 HydrophobicContact CE1-CD2 4.29Å; Y272-L276 HydrophobicContact CE1-CG 4.33Å; Y272-L276 WeakPolarHBondContact O-CG 3.42Å; Y272-L276 PolarHBondContact O-N 3.36Å; Y272-L276 VanDerWaalsContact O-N 3.08Å; Y272-I312 HydrophobicContact CD2-CG2 3.87Å
273	I	97.6	Very high	94.1	Very high	17 Å²	17	28.8 Å²	28.8	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-40.8	174	-70.5	170.9	0	0	0	111.4	Q107 L108 A111 L269 V271 L276	Q107-I273 HydrophobicContact CB-CD1 4.49Å; Q107-I273 HydrophobicContact CG-CD1 4.2Å; Q107-I273 HydrophobicContact CG-CG2 4.29Å; L108-I273 HydrophobicContact CB-CD1 4.14Å; L108-I273 HydrophobicContact CB-CG1 4.23Å; L108-I273 HydrophobicContact CD1-CG1 3.75Å; A111-I273 HydrophobicContact CB-CG2 4.12Å; L269-I273 HydrophobicContact CD1-CD1 3.95Å; L269-I273 HydrophobicContact CD1-CG1 4.22Å; L269-I273 HydrophobicContact CG-CD1 3.91Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.23Å; V271-I273 PolarHBondContact O-N 2.84Å; I273-L276 PolarHBondContact O-N 2.83Å
274	S	96.3	Very high	94.1	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-38.1	178.5	-57.9	0	0	0	0	111.9	H270 V271 Y272 L276 N277 F341	H270-S274 WeakPolarHBondContact O-CB 3.46Å; H270-S274 PolarHBondContact O-N 3.44Å; H270-S274 PolarHBondContact O-OG 2.89Å; V271-S274 WeakPolarHBondContact O-CB 3.26Å; V271-S274 PolarHBondContact O-N 3.27Å; V271-S274 VanDerWaalsContact O-N 3.13Å; Y272-S274 VanDerWaalsContact C-N 3.26Å; Y272-S274 PolarHBondContact O-N 2.99Å; S274-L276 VanDerWaalsContact C-N 3.28Å; S274-L276 PolarHBondContact O-N 3.4Å; S274-N277 WeakPolarHBondContact O-CB 3.31Å; S274-N277 PolarHBondContact O-N 2.65Å; S274-N277 VanDerWaalsContact O-N 3.11Å; S274-F341 WeakPolarHBondContact OG-CD2 3.17Å; S274-F341 VanDerWaalsContact OG-CE2 3.25Å; S274-F341 WeakPolarHBondContact OG-CE2 3.26Å
275	A	96.4	Very high	94	Very high	8 Å²	8	27.6 Å²	27.6	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-37.4	175.6	0	0	0	0	0	112.2	V271 Y272 N277 G278 L282 I312	V271-A275 WeakPolarHBondContact O-CB 3.17Å; V271-A275 PolarHBondContact O-N 2.88Å; Y272-A275 WeakPolarHBondContact O-CB 3.27Å; Y272-A275 PolarHBondContact O-N 3.41Å; Y272-A275 VanDerWaalsContact O-N 3.14Å; A275-N277 PolarHBondContact O-N 3.4Å; A275-N277 VanDerWaalsContact O-N 3.16Å; A275-G278 PolarHBondContact O-N 3.14Å; A275-L282 HydrophobicContact CB-CD1 3.58Å; A275-I312 HydrophobicContact CB-CB 4.33Å; A275-I312 HydrophobicContact CB-CG2 3.79Å; A275-I312 WeakPolarHBondContact CB-O 3.22Å
276	L	95.7	Very high	93.8	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.089	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.6	176.7	-64.6	176.8	0	0	0	113.7	L108 A111 L112 A115 Y272 I273 S274 G278 L314	L108-L276 HydrophobicContact CD1-CD1 3.98Å; A111-L276 HydrophobicContact CB-CB 4.27Å; A111-L276 HydrophobicContact CB-CD1 3.74Å; L112-L276 HydrophobicContact CD2-CD1 3.68Å; L112-L276 HydrophobicContact CD2-CD2 4.06Å; L112-L276 HydrophobicContact CG-CD1 3.88Å; A115-L276 HydrophobicContact CB-CB 4.37Å; A115-L276 HydrophobicContact CB-CD2 4.49Å; Y272-L276 HydrophobicContact CD1-CD1 4.28Å; Y272-L276 HydrophobicContact CE1-CD1 4.05Å; Y272-L276 HydrophobicContact CE1-CD2 4.29Å; Y272-L276 HydrophobicContact CE1-CG 4.33Å; Y272-L276 WeakPolarHBondContact O-CG 3.42Å; Y272-L276 PolarHBondContact O-N 3.36Å; Y272-L276 VanDerWaalsContact O-N 3.08Å; I273-L276 PolarHBondContact O-N 2.83Å; S274-L276 VanDerWaalsContact C-N 3.28Å; S274-L276 PolarHBondContact O-N 3.4Å; L276-G278 VanDerWaalsContact C-N 3.3Å; L276-L314 HydrophobicContact CD2-CD1 3.78Å; L276-L314 HydrophobicContact CD2-CD2 4.09Å; L276-L314 HydrophobicContact CD2-CG 3.47Å; L276-L314 VanDerWaalsContact CD2-CG 3.47Å
277	N	90.2	Very high	93.7	Very high	116 Å²	116	26.8 Å²	26.8	62%	0.62	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.6	176.1	-163.4	34.1	0	0	0	112.9	S274 A275 T279	S274-N277 WeakPolarHBondContact O-CB 3.31Å; S274-N277 PolarHBondContact O-N 2.65Å; S274-N277 VanDerWaalsContact O-N 3.11Å; A275-N277 PolarHBondContact O-N 3.4Å; A275-N277 VanDerWaalsContact O-N 3.16Å; N277-T279 WeakPolarHBondContact ND2-CG2 3.14Å; N277-T279 PolarHBondContact O-N 3.26Å; N277-T279 VanDerWaalsContact O-N 3.16Å
278	G	82.3	Confident	93.6	Very high	65 Å²	65	30.5 Å²	30.5	67%	0.67	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	5.2	176.2	0	0	0	0	0	115.5	A275 L276 C280	A275-G278 PolarHBondContact O-N 3.14Å; L276-G278 VanDerWaalsContact C-N 3.3Å; G278-C280 PolarHBondContact O-N 3.23Å
279	T	83.9	Confident	93.5	Very high	84 Å²	84	32.4 Å²	32.4	52%	0.515	21%	0.209	S	C	.	.	S	Bend	trans	-74.1	-13.5	179.6	49.7	0	0	0	0	113.7	N277	N277-T279 WeakPolarHBondContact ND2-CG2 3.14Å; N277-T279 PolarHBondContact O-N 3.26Å; N277-T279 VanDerWaalsContact O-N 3.16Å
280	C	84.3	Confident	93.5	Very high	12 Å²	12	35 Å²	35	8%	0.081	22%	0.219	C	C	.	.			trans	-146.6	126.9	-171.5	-156.6	0	0	0	0	111.3	G278 L282 P340 C342	G278-C280 PolarHBondContact O-N 3.23Å; C280-L282 HydrophobicContact CB-CG 4.16Å; C280-L282 PolarHBondContact O-N 3.06Å; C280-P340 HydrophobicContact CB-CB 4.5Å; C280-C342 HydrophobicContact CB-CB 4.36Å; C280-C342 WeakPolarHBondContact CB-SG 3.31Å; C280-C342 WeakPolarHBondContact SG-CA 3.39Å; C280-C342 WeakPolarHBondContact SG-CB 3.09Å; C280-C342 CovalentContact SG-SG 2.02Å; C280-C342 PolarHBondContact SG-SG 3.34Å
281	P	82.1	Confident	93.5	Very high	75 Å²	75	36.8 Å²	36.8	49%	0.487	23%	0.228	S	C	.	.			trans	-75.7	-4.4	-177	27.9	-33	0	0	0	114.8	T283 Q311	P281-T283 WeakPolarHBondContact O-CA 3.28Å; P281-T283 PolarHBondContact O-N 3.23Å; P281-T283 PolarHBondContact O-OG1 2.05Å; P281-Q311 VanDerWaalsContact O-CB 3.23Å; P281-Q311 WeakPolarHBondContact O-CB 3.13Å; P281-Q311 VanDerWaalsContact O-CD 3.29Å; P281-Q311 WeakPolarHBondContact O-CG 3.34Å
282	L	94.3	Very high	93.5	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	24%	0.235	C	C	.	.			trans	29	58.7	173.5	-70.1	166.4	0	0	0	113.6	V271 A275 C280 I312 L333 T335	V271-L282 HydrophobicContact CG1-CD1 3.69Å; V271-L282 HydrophobicContact CG1-CD2 4.13Å; V271-L282 HydrophobicContact CG1-CG 4.48Å; A275-L282 HydrophobicContact CB-CD1 3.58Å; C280-L282 HydrophobicContact CB-CG 4.16Å; C280-L282 PolarHBondContact O-N 3.06Å; L282-I312 HydrophobicContact CB-CB 4.17Å; L282-I312 HydrophobicContact CB-CD1 4.46Å; L282-I312 PolarHBondContact O-N 2.65Å; L282-L333 HydrophobicContact CB-CD1 4.34Å; L282-T335 HydrophobicContact CD2-CG2 4.32Å
283	T	94.4	Very high	93.4	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.123	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-88.1	128	-164.1	-58.3	0	0	0	0	111.2	P281 C309 P310 Q311 L333 P428	P281-T283 WeakPolarHBondContact O-CA 3.28Å; P281-T283 PolarHBondContact O-N 3.23Å; P281-T283 PolarHBondContact O-OG1 2.05Å; T283-C309 HydrophobicContact CG2-CB 3.17Å; T283-P310 WeakPolarHBondContact CA-O 3.35Å; T283-Q311 HydrophobicContact CG2-CG 4.45Å; T283-Q311 PolarHBondContact OG1-NE2 2.88Å; T283-L333 VanDerWaalsContact O-CB 3.29Å; T283-L333 WeakPolarHBondContact O-CB 3.25Å; T283-P428 HydrophobicContact CG2-CG 4.24Å
284	G	95.8	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.235	C	C	.	.			trans	-91.3	137.2	177.7	0	0	0	0	0	112.4	P310	G284-P310 PolarHBondContact N-O 2.89Å
285	I	95.4	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.4	177.8	-55.1	-57.4	0	0	0	109.7	C287 F293 C298 C309 L331 F332 F427 P428	I285-C287 PolarHBondContact O-N 3.41Å; I285-F293 HydrophobicContact CB-CD2 4.22Å; I285-F293 HydrophobicContact CB-CE2 4.05Å; I285-F293 HydrophobicContact CG1-CE2 4.18Å; I285-F293 HydrophobicContact CG2-CD2 4.47Å; I285-C298 HydrophobicContact CG2-CB 4.06Å; I285-C309 HydrophobicContact CD1-CB 4.49Å; I285-L331 WeakPolarHBondContact O-CA 3.31Å; I285-F332 PolarHBondContact N-O 3.36Å; I285-F332 PolarHBondContact O-N 3.08Å; I285-F427 HydrophobicContact CG1-CD2 4.49Å; I285-F427 HydrophobicContact CG1-CE2 4.22Å; I285-P428 HydrophobicContact CD1-CB 4.03Å; I285-P428 HydrophobicContact CD1-CG 3.86Å
286	P	95.4	Very high	93.3	Very high	21 Å²	21	40.5 Å²	40.5	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.2	176.6	24.6	-31	0	0	0	110.3	C298 C301 F305 K330 L331	P286-C298 VanDerWaalsContact O-CB 3.32Å; P286-C298 WeakPolarHBondContact O-CB 3.49Å; P286-C301 WeakPolarHBondContact CD-SG 3.41Å; P286-F305 HydrophobicContact CB-CE2 3.82Å; P286-F305 HydrophobicContact CG-CD2 3.99Å; P286-F305 HydrophobicContact CG-CE2 3.76Å; P286-K330 WeakPolarHBondContact CA-O 3.09Å; P286-L331 HydrophobicContact CB-CD2 4.09Å
287	C	95.8	Very high	93.2	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.081	27%	0.265	C	S	.	.			trans	-153.7	157.3	174.1	-150.9	0	0	0	0	111.3	I285 S289 F293 C298 K330 F332	I285-C287 PolarHBondContact O-N 3.41Å; C287-S289 VanDerWaalsContact C-N 3.32Å; C287-S289 PolarHBondContact O-N 3.06Å; C287-F293 HydrophobicContact CB-CB 4.05Å; C287-F293 PolarHBondContact SG-N 2.62Å; C287-C298 WeakPolarHBondContact CA-SG 3.36Å; C287-C298 HydrophobicContact CB-CB 3.62Å; C287-C298 WeakPolarHBondContact CB-SG 3.29Å; C287-C298 WeakPolarHBondContact SG-CB 3.18Å; C287-C298 CovalentContact SG-SG 2.04Å; C287-C298 PolarHBondContact SG-SG 2.97Å; C287-K330 PolarHBondContact N-O 2.94Å; C287-F332 HydrophobicContact CB-CD2 3.69Å; C287-F332 HydrophobicContact CB-CE2 4.06Å; C287-F332 WeakPolarHBondContact O-CE2 3.44Å
288	S	95.1	Very high	93.3	Very high	90 Å²	90	43 Å²	43	63%	0.629	24%	0.244	S	C	*	.	S	Bend	trans	-69.7	-30.9	179.8	56.2	0	0	0	0	112.8
289	S	97.2	Very high	93.7	Very high	41 Å²	41	43.1 Å²	43.1	29%	0.287	23%	0.229	S	C	.	.			trans	-155.8	163.2	175.2	81.6	0	0	0	0	111.8	C287 E291 E292 F293	C287-S289 VanDerWaalsContact C-N 3.32Å; C287-S289 PolarHBondContact O-N 3.06Å; S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.11Å; S289-E291 PolarHBondContact OG-N 2.82Å; S289-E292 PolarHBondContact O-N 3.49Å; S289-E292 VanDerWaalsContact OG-CG 3.31Å; S289-E292 WeakPolarHBondContact OG-CG 3.21Å; S289-E292 PolarHBondContact OG-N 2.99Å; S289-F293 PolarHBondContact O-N 3.17Å
290	Y	97.7	Very high	93.9	Very high	54 Å²	54	40.7 Å²	40.7	21%	0.212	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-33.2	175.2	-175.1	-131.1	0	0	0	112.6	N241 G242 F293 L294 F332 L334	N241-Y290 VanDerWaalsContact C-OH 3.24Å; N241-Y290 WeakPolarHBondContact O-CE1 3.09Å; N241-Y290 VanDerWaalsContact O-CZ 3.3Å; N241-Y290 PolarHBondContact O-OH 2.87Å; G242-Y290 VanDerWaalsContact CA-CD1 3.47Å; G242-Y290 VanDerWaalsContact CA-CG 3.4Å; Y290-F293 AromaticContact CD2-CD1 3.74Å; Y290-F293 HydrophobicContact CD2-CD1 3.74Å; Y290-F293 HydrophobicContact CD2-CE1 4.43Å; Y290-F293 AromaticContact CE2-CD1 3.73Å; Y290-F293 HydrophobicContact CE2-CD1 3.73Å; Y290-F293 HydrophobicContact CE2-CE1 4.02Å; Y290-F293 WeakPolarHBondContact O-CB 3.48Å; Y290-F293 PolarHBondContact O-N 2.86Å; Y290-L294 HydrophobicContact CD1-CD1 3.8Å; Y290-L294 HydrophobicContact CD1-CG 4.46Å; Y290-L294 HydrophobicContact CD2-CD1 4.43Å; Y290-L294 HydrophobicContact CD2-CG 4.22Å; Y290-L294 HydrophobicContact CE1-CD1 3.45Å; Y290-L294 VanDerWaalsContact CE1-CD1 3.45Å; Y290-L294 HydrophobicContact CE1-CG 4.17Å; Y290-L294 HydrophobicContact CE2-CD1 4.09Å; Y290-L294 HydrophobicContact CE2-CD2 4.07Å; Y290-L294 HydrophobicContact CE2-CG 3.87Å; Y290-L294 HydrophobicContact CG-CD1 4.29Å; Y290-L294 HydrophobicContact CG-CG 4.5Å; Y290-L294 WeakPolarHBondContact O-CB 3.42Å; Y290-L294 WeakPolarHBondContact O-CG 3.43Å; Y290-L294 PolarHBondContact O-N 2.86Å; Y290-F332 HydrophobicContact CD2-CB 4.4Å; Y290-F332 AromaticContact CD2-CD1 3.63Å; Y290-F332 HydrophobicContact CD2-CD1 3.63Å; Y290-F332 HydrophobicContact CD2-CE1 4.3Å; Y290-F332 HydrophobicContact CD2-CG 4.24Å; Y290-F332 HydrophobicContact CG-CD1 4.11Å; Y290-F332 HydrophobicContact CG-CE1 4.33Å; Y290-F332 VanDerWaalsContact N-CZ 3.33Å; Y290-L334 HydrophobicContact CE2-CD2 3.95Å; Y290-L334 WeakPolarHBondContact OH-CD2 3.05Å
291	E	97.3	Very high	94	Very high	114 Å²	114	40.3 Å²	40.3	53%	0.533	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-41.6	177.3	-171.9	-175.3	165.4	0	0	111.4	S289 L294 K295	S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.11Å; S289-E291 PolarHBondContact OG-N 2.82Å; E291-L294 PolarHBondContact O-N 2.76Å; E291-K295 HydrophobicContact CG-CD 4.26Å; E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.1Å; E291-K295 PolarHBondContact O-N 2.82Å; E291-K295 WeakPolarHBondContact OE1-CE 3.4Å; E291-K295 IonicContact OE1-NZ 3.54Å; E291-K295 PolarHBondContact OE1-NZ 2.78Å
292	E	97.5	Very high	93.9	Very high	34 Å²	34	45.2 Å²	45.2	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-39.8	177	-67.7	-64	132.1	0	0	111.7	S289 K295 G296 R297	S289-E292 PolarHBondContact O-N 3.49Å; S289-E292 VanDerWaalsContact OG-CG 3.31Å; S289-E292 WeakPolarHBondContact OG-CG 3.21Å; S289-E292 PolarHBondContact OG-N 2.99Å; E292-K295 PolarHBondContact O-N 2.85Å; E292-G296 PolarHBondContact O-N 2.8Å; E292-R297 HydrophobicContact CB-CB 4.48Å; E292-R297 WeakPolarHBondContact O-CB 3.09Å; E292-R297 PolarHBondContact O-N 2.84Å; E292-R297 IonicContact OE1-CZ 3.95Å; E292-R297 VanDerWaalsContact OE1-CZ 3.31Å; E292-R297 IonicContact OE1-NH1 3.26Å; E292-R297 PolarHBondContact OE1-NH1 3.43Å; E292-R297 IonicContact OE1-NH2 2.9Å; E292-R297 WeakPolarHBondContact OE2-CD 3.46Å; E292-R297 VanDerWaalsContact OE2-CG 3.23Å; E292-R297 WeakPolarHBondContact OE2-CG 3.02Å; E292-R297 IonicContact OE2-CZ 3.39Å; E292-R297 IonicContact OE2-NE 3.74Å; E292-R297 PolarHBondContact OE2-NE 3.13Å; E292-R297 IonicContact OE2-NH1 3.63Å; E292-R297 PolarHBondContact OE2-NH1 3.36Å
293	F	97.3	Very high	93.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-51.9	170.8	167.2	-101	0	0	0	110.7	I285 C287 S289 Y290 K295 G296 F332 L334 V389 F427	I285-F293 HydrophobicContact CB-CD2 4.22Å; I285-F293 HydrophobicContact CB-CE2 4.05Å; I285-F293 HydrophobicContact CG1-CE2 4.18Å; I285-F293 HydrophobicContact CG2-CD2 4.47Å; C287-F293 HydrophobicContact CB-CB 4.05Å; C287-F293 PolarHBondContact SG-N 2.62Å; S289-F293 PolarHBondContact O-N 3.17Å; Y290-F293 AromaticContact CD2-CD1 3.74Å; Y290-F293 HydrophobicContact CD2-CD1 3.74Å; Y290-F293 HydrophobicContact CD2-CE1 4.43Å; Y290-F293 AromaticContact CE2-CD1 3.73Å; Y290-F293 HydrophobicContact CE2-CD1 3.73Å; Y290-F293 HydrophobicContact CE2-CE1 4.02Å; Y290-F293 WeakPolarHBondContact O-CB 3.48Å; Y290-F293 PolarHBondContact O-N 2.86Å; F293-K295 PolarHBondContact O-N 3.4Å; F293-G296 PolarHBondContact O-N 3.13Å; F293-F332 HydrophobicContact CB-CB 3.95Å; F293-F332 HydrophobicContact CB-CD2 4.25Å; F293-F332 HydrophobicContact CB-CG 4.16Å; F293-F332 HydrophobicContact CD1-CB 3.79Å; F293-F332 HydrophobicContact CD2-CB 3.79Å; F293-F332 HydrophobicContact CE1-CB 4.21Å; F293-F332 HydrophobicContact CE2-CB 4.21Å; F293-F332 HydrophobicContact CG-CB 3.55Å; F293-F332 HydrophobicContact CG-CG 4.29Å; F293-F332 HydrophobicContact CZ-CB 4.41Å; F293-L334 HydrophobicContact CE1-CD2 4.01Å; F293-L334 HydrophobicContact CE1-CG 3.9Å; F293-L334 HydrophobicContact CZ-CG 4.26Å; F293-V389 HydrophobicContact CE1-CG1 4.29Å; F293-V389 HydrophobicContact CZ-CG1 4.07Å; F293-V389 WeakPolarHBondContact O-CG2 3.24Å; F293-F427 HydrophobicContact CE2-CE2 4.12Å; F293-F427 HydrophobicContact CE2-CZ 4.26Å
294	L	96.8	Very high	92.3	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-28.1	179.2	-74.5	174	0	0	0	113.2	Y290 E291 G296 L334 R388 V389	Y290-L294 HydrophobicContact CD1-CD1 3.8Å; Y290-L294 HydrophobicContact CD1-CG 4.46Å; Y290-L294 HydrophobicContact CD2-CD1 4.43Å; Y290-L294 HydrophobicContact CD2-CG 4.22Å; Y290-L294 HydrophobicContact CE1-CD1 3.45Å; Y290-L294 VanDerWaalsContact CE1-CD1 3.45Å; Y290-L294 HydrophobicContact CE1-CG 4.17Å; Y290-L294 HydrophobicContact CE2-CD1 4.09Å; Y290-L294 HydrophobicContact CE2-CD2 4.07Å; Y290-L294 HydrophobicContact CE2-CG 3.87Å; Y290-L294 HydrophobicContact CG-CD1 4.29Å; Y290-L294 HydrophobicContact CG-CG 4.5Å; Y290-L294 WeakPolarHBondContact O-CB 3.42Å; Y290-L294 WeakPolarHBondContact O-CG 3.43Å; Y290-L294 PolarHBondContact O-N 2.86Å; E291-L294 PolarHBondContact O-N 2.76Å; L294-G296 PolarHBondContact O-N 2.76Å; L294-L334 HydrophobicContact CD2-CD2 4.21Å; L294-R388 CarbonylContact O-C 3.59Å; L294-R388 VanDerWaalsContact O-CA 3.24Å; L294-R388 WeakPolarHBondContact O-CA 3.34Å; L294-V389 PolarHBondContact O-N 2.99Å
295	K	95.8	Very high	91.6	Very high	70 Å²	70	49.3 Å²	49.3	30%	0.304	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	2.4	173.5	-75.1	169.8	172.7	171.4	0	113.4	E291 E292 F293 R297 R387	E291-K295 HydrophobicContact CG-CD 4.26Å; E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.1Å; E291-K295 PolarHBondContact O-N 2.82Å; E291-K295 WeakPolarHBondContact OE1-CE 3.4Å; E291-K295 IonicContact OE1-NZ 3.54Å; E291-K295 PolarHBondContact OE1-NZ 2.78Å; E292-K295 PolarHBondContact O-N 2.85Å; F293-K295 PolarHBondContact O-N 3.4Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 HydrophobicContact CB-CG 4.03Å; K295-R297 PolarHBondContact O-N 2.83Å; K295-R387 WeakPolarHBondContact O-CB 3.48Å
296	G	94.4	Very high	90.9	Very high	1 Å²	1	55 Å²	55	1%	0.01	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	30.5	-179.5	0	0	0	0	0	113	E292 F293 L294 C298	E292-G296 PolarHBondContact O-N 2.8Å; F293-G296 PolarHBondContact O-N 3.13Å; L294-G296 PolarHBondContact O-N 2.76Å; G296-C298 VanDerWaalsContact C-N 3.29Å
297	R	94.8	Very high	90.1	Very high	159 Å²	159	55.9 Å²	55.9	60%	0.6	32%	0.315	S	S	*	.	S	Bend	trans	-80.7	-15.7	175.5	-54.8	-131.5	-168.4	125.8	-2.6	112.2	E292 K295	E292-R297 HydrophobicContact CB-CB 4.48Å; E292-R297 WeakPolarHBondContact O-CB 3.09Å; E292-R297 PolarHBondContact O-N 2.84Å; E292-R297 IonicContact OE1-CZ 3.95Å; E292-R297 VanDerWaalsContact OE1-CZ 3.31Å; E292-R297 IonicContact OE1-NH1 3.26Å; E292-R297 PolarHBondContact OE1-NH1 3.43Å; E292-R297 IonicContact OE1-NH2 2.9Å; E292-R297 WeakPolarHBondContact OE2-CD 3.46Å; E292-R297 VanDerWaalsContact OE2-CG 3.23Å; E292-R297 WeakPolarHBondContact OE2-CG 3.02Å; E292-R297 IonicContact OE2-CZ 3.39Å; E292-R297 IonicContact OE2-NE 3.74Å; E292-R297 PolarHBondContact OE2-NE 3.13Å; E292-R297 IonicContact OE2-NH1 3.63Å; E292-R297 PolarHBondContact OE2-NH1 3.36Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 HydrophobicContact CB-CG 4.03Å; K295-R297 PolarHBondContact O-N 2.83Å
298	C	93	Very high	89.7	Confident	26 Å²	26	58.4 Å²	58.4	18%	0.176	33%	0.33	C	S	.	.			trans	-127.6	113.4	179.2	-54.7	0	0	0	0	108.6	I285 P286 C287 G296	I285-C298 HydrophobicContact CG2-CB 4.06Å; P286-C298 VanDerWaalsContact O-CB 3.32Å; P286-C298 WeakPolarHBondContact O-CB 3.49Å; C287-C298 WeakPolarHBondContact CA-SG 3.36Å; C287-C298 HydrophobicContact CB-CB 3.62Å; C287-C298 WeakPolarHBondContact CB-SG 3.29Å; C287-C298 WeakPolarHBondContact SG-CB 3.18Å; C287-C298 CovalentContact SG-SG 2.04Å; C287-C298 PolarHBondContact SG-SG 2.97Å; G296-C298 VanDerWaalsContact C-N 3.29Å
299	L	90.1	Very high	89.5	Confident	68 Å²	68	54.8 Å²	54.8	36%	0.356	31%	0.305	S	S	.	.			trans	-123	1.1	-172.4	-58.3	177.6	0	0	0	113.7	L347 F427	L299-L347 HydrophobicContact CD1-CD2 4Å; L299-L347 HydrophobicContact CD2-CD2 3.99Å; L299-F427 HydrophobicContact CB-CB 4.39Å; L299-F427 HydrophobicContact CB-CD2 4.26Å; L299-F427 HydrophobicContact CB-CG 4.33Å; L299-F427 HydrophobicContact CD2-CD1 3.83Å; L299-F427 HydrophobicContact CD2-CD2 4.02Å; L299-F427 HydrophobicContact CD2-CE1 3.89Å; L299-F427 HydrophobicContact CD2-CE2 4.06Å; L299-F427 HydrophobicContact CD2-CG 3.89Å; L299-F427 HydrophobicContact CD2-CZ 4Å
300	G	88.3	Confident	89.4	Confident	34 Å²	34	52.9 Å²	52.9	35%	0.351	29%	0.291	S	S	.	.			trans	-176	-172.5	-177.6	0	0	0	0	0	112.6
301	C	86.9	Confident	89.3	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.02	29%	0.294	C	S	.	.			trans	-121.2	20	-166.2	-57.9	0	0	0	0	114	P286 G303 F305 N306 G307 C309	P286-C301 WeakPolarHBondContact CD-SG 3.41Å; C301-G303 PolarHBondContact O-N 2.93Å; C301-G303 VanDerWaalsContact O-N 3.11Å; C301-F305 HydrophobicContact CB-CB 4.25Å; C301-F305 HydrophobicContact CB-CD2 4.07Å; C301-F305 CarbonylContact O-C 3.29Å; C301-N306 PolarHBondContact O-N 3.24Å; C301-G307 WeakPolarHBondContact O-CA 3.11Å; C301-G307 PolarHBondContact O-N 3.42Å; C301-C309 HydrophobicContact CB-CB 3.92Å; C301-C309 WeakPolarHBondContact CB-SG 3.32Å; C301-C309 WeakPolarHBondContact SG-CA 3.24Å; C301-C309 WeakPolarHBondContact SG-CB 3.41Å; C301-C309 CovalentContact SG-SG 2.02Å; C301-C309 PolarHBondContact SG-SG 3.5Å
302	Q	80	Confident	89.3	Confident	178 Å²	178	48 Å²	48	83%	0.832	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.9	-179.7	-74.7	-169.1	-1.8	0	0	114.5
303	G	78.8	Confident	89.1	Confident	56 Å²	56	46.5 Å²	46.5	58%	0.577	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-106.1	174.4	0	0	0	0	0	112.4	C301 F305 N306	C301-G303 PolarHBondContact O-N 2.93Å; C301-G303 VanDerWaalsContact O-N 3.11Å; G303-F305 PolarHBondContact O-N 2.87Å; G303-N306 PolarHBondContact O-N 3.09Å
304	V	75.5	Confident	89	Confident	60 Å²	60	48.9 Å²	48.9	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.6	-170.6	-173.3	0	0	0	0	114	A322 P326 E329	V304-A322 WeakPolarHBondContact O-CB 3.46Å; V304-P326 HydrophobicContact CG1-CB 3.93Å; V304-P326 HydrophobicContact CG1-CG 4.22Å; V304-E329 HydrophobicContact CG1-CG 3.95Å
305	F	81.5	Confident	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	17.5	-172.5	-47.7	-61.6	0	0	0	114.7	P286 C301 G303 G307 T308 P310 M320 P326 E329 L331	P286-F305 HydrophobicContact CB-CE2 3.82Å; P286-F305 HydrophobicContact CG-CD2 3.99Å; P286-F305 HydrophobicContact CG-CE2 3.76Å; C301-F305 HydrophobicContact CB-CB 4.25Å; C301-F305 HydrophobicContact CB-CD2 4.07Å; C301-F305 CarbonylContact O-C 3.29Å; G303-F305 PolarHBondContact O-N 2.87Å; F305-G307 PolarHBondContact O-N 3.16Å; F305-T308 WeakPolarHBondContact CB-O 3.46Å; F305-T308 PolarHBondContact O-N 3.35Å; F305-P310 HydrophobicContact CD1-CG 4.09Å; F305-P310 HydrophobicContact CD2-CG 3.79Å; F305-P310 HydrophobicContact CE1-CG 3.94Å; F305-P310 HydrophobicContact CE2-CG 3.61Å; F305-P310 HydrophobicContact CG-CG 4.02Å; F305-P310 HydrophobicContact CZ-CG 3.7Å; F305-M320 HydrophobicContact CD1-CB 4.44Å; F305-M320 HydrophobicContact CD1-CG 3.73Å; F305-M320 HydrophobicContact CD1-SD 3.41Å; F305-M320 WeakPolarHBondContact CD1-SD 3.46Å; F305-M320 HydrophobicContact CE1-CG 4.05Å; F305-M320 HydrophobicContact CE1-SD 3.12Å; F305-M320 WeakPolarHBondContact CE1-SD 3.4Å; F305-M320 HydrophobicContact CG-CG 4.46Å; F305-M320 HydrophobicContact CZ-SD 4.03Å; F305-P326 HydrophobicContact CE1-CG 4.03Å; F305-E329 HydrophobicContact CZ-CB 4Å; F305-E329 HydrophobicContact CZ-CG 4.13Å; F305-L331 HydrophobicContact CE2-CD2 3.55Å; F305-L331 HydrophobicContact CZ-CD2 3.82Å
306	N	79.2	Confident	88.7	Confident	120 Å²	120	56.5 Å²	56.5	64%	0.642	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	34.5	177.9	-66.3	-20.1	0	0	0	113.9	C301 G303	C301-N306 PolarHBondContact O-N 3.24Å; G303-N306 PolarHBondContact O-N 3.09Å
307	G	79.9	Confident	88.6	Confident	39 Å²	39	58.5 Å²	58.5	40%	0.402	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-12.6	176.1	0	0	0	0	0	115.5	C301 F305	C301-G307 WeakPolarHBondContact O-CA 3.11Å; C301-G307 PolarHBondContact O-N 3.42Å; F305-G307 PolarHBondContact O-N 3.16Å
308	T	86.8	Confident	88.6	Confident	65 Å²	65	50.9 Å²	50.9	40%	0.399	30%	0.297	S	S	.	.			trans	-96.5	113	178.6	-53.5	0	0	0	0	110.1	F305 G319	F305-T308 WeakPolarHBondContact CB-O 3.46Å; F305-T308 PolarHBondContact O-N 3.35Å; T308-G319 WeakPolarHBondContact CG2-O 3.47Å
309	C	91.4	Very high	88.5	Confident	15 Å²	15	50.7 Å²	50.7	10%	0.101	30%	0.299	C	S	.	.			trans	-75.6	135.5	-179.5	-68	0	0	0	0	112.1	T283 I285 C301	T283-C309 HydrophobicContact CG2-CB 3.17Å; I285-C309 HydrophobicContact CD1-CB 4.49Å; C301-C309 HydrophobicContact CB-CB 3.92Å; C301-C309 WeakPolarHBondContact CB-SG 3.32Å; C301-C309 WeakPolarHBondContact SG-CA 3.24Å; C301-C309 WeakPolarHBondContact SG-CB 3.41Å; C301-C309 CovalentContact SG-SG 2.02Å; C301-C309 PolarHBondContact SG-SG 3.5Å
310	P	94.5	Very high	88.5	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.285	C	S	.	.			trans	-63	144.8	177.9	-19	29.7	0	0	0	112.1	F238 T283 G284 F305 S318 M320 L331	F238-P310 HydrophobicContact CE1-CB 4.21Å; F238-P310 HydrophobicContact CZ-CB 3.83Å; T283-P310 WeakPolarHBondContact CA-O 3.35Å; G284-P310 PolarHBondContact N-O 2.89Å; F305-P310 HydrophobicContact CD1-CG 4.09Å; F305-P310 HydrophobicContact CD2-CG 3.79Å; F305-P310 HydrophobicContact CE1-CG 3.94Å; F305-P310 HydrophobicContact CE2-CG 3.61Å; F305-P310 HydrophobicContact CG-CG 4.02Å; F305-P310 HydrophobicContact CZ-CG 3.7Å; P310-S318 CarbonylContact C-O 3.57Å; P310-S318 VanDerWaalsContact CA-O 3.23Å; P310-S318 WeakPolarHBondContact CA-O 3.46Å; P310-M320 HydrophobicContact CB-CG 4.04Å; P310-M320 HydrophobicContact CB-SD 4.31Å; P310-M320 HydrophobicContact CG-CG 3.7Å; P310-M320 HydrophobicContact CG-SD 3.8Å; P310-L331 HydrophobicContact CB-CD1 3.72Å; P310-L331 HydrophobicContact CG-CD1 3.77Å; P310-L331 HydrophobicContact CG-CD2 4.02Å
311	Q	95.6	Very high	88.3	Confident	59 Å²	59	50.7 Å²	50.7	28%	0.276	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-126.1	138.9	-179	-60.1	-172.2	-14.7	0	0	110.9	P281 T283 L315 S318	P281-Q311 VanDerWaalsContact O-CB 3.23Å; P281-Q311 WeakPolarHBondContact O-CB 3.13Å; P281-Q311 VanDerWaalsContact O-CD 3.29Å; P281-Q311 WeakPolarHBondContact O-CG 3.34Å; T283-Q311 HydrophobicContact CG2-CG 4.45Å; T283-Q311 PolarHBondContact OG1-NE2 2.88Å; Q311-L315 HydrophobicContact CB-CD1 4.11Å; Q311-S318 PolarHBondContact N-O 2.96Å; Q311-S318 VanDerWaalsContact O-CB 3.3Å; Q311-S318 WeakPolarHBondContact O-CB 3.44Å
312	I	96.9	Very high	88.2	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.036	30%	0.3	C	S	.	.	S	Bend	trans	-67.3	133.4	171.2	-60.6	171.3	0	0	0	108.6	I220 F238 L240 V271 Y272 A275 L282 L333	I220-I312 HydrophobicContact CD1-CD1 4.17Å; I220-I312 HydrophobicContact CD1-CG1 4.31Å; I220-I312 HydrophobicContact CD1-CG2 3.6Å; F238-I312 HydrophobicContact CB-CD1 4.17Å; F238-I312 HydrophobicContact CB-CG1 4.43Å; F238-I312 HydrophobicContact CD1-CD1 4.1Å; F238-I312 HydrophobicContact CD1-CG1 3.74Å; F238-I312 HydrophobicContact CD2-CG1 4.01Å; F238-I312 HydrophobicContact CE1-CG1 3.86Å; F238-I312 HydrophobicContact CE2-CG1 4.13Å; F238-I312 HydrophobicContact CG-CD1 4.08Å; F238-I312 HydrophobicContact CG-CG1 3.82Å; F238-I312 HydrophobicContact CZ-CG1 4.05Å; L240-I312 HydrophobicContact CD1-CD1 4.09Å; V271-I312 HydrophobicContact CG1-CD1 4.16Å; Y272-I312 HydrophobicContact CD2-CG2 3.87Å; A275-I312 HydrophobicContact CB-CB 4.33Å; A275-I312 HydrophobicContact CB-CG2 3.79Å; A275-I312 WeakPolarHBondContact CB-O 3.22Å; L282-I312 HydrophobicContact CB-CB 4.17Å; L282-I312 HydrophobicContact CB-CD1 4.46Å; L282-I312 PolarHBondContact O-N 2.65Å; I312-L333 HydrophobicContact CD1-CD1 4.32Å
313	G	94.6	Very high	88.4	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	140.4	-163.6	177.6	0	0	0	0	0	113.2	R189 L315	R189-G313 PolarHBondContact NH1-O 2.74Å; R189-G313 PolarHBondContact NH2-O 2.83Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 2.89Å
314	L	94.4	Very high	88.8	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-87.2	10.2	-174.7	-71	-179.4	0	0	0	115.4	L112 A115 Q116 L276 E316	L112-L314 HydrophobicContact CD2-CD1 4.49Å; L112-L314 HydrophobicContact CD2-CD2 4.37Å; A115-L314 HydrophobicContact CB-CD1 3.78Å; Q116-L314 HydrophobicContact CB-CD1 4.23Å; L276-L314 HydrophobicContact CD2-CD1 3.78Å; L276-L314 HydrophobicContact CD2-CD2 4.09Å; L276-L314 HydrophobicContact CD2-CG 3.47Å; L276-L314 VanDerWaalsContact CD2-CG 3.47Å; L314-E316 PolarHBondContact O-N 2.78Å
315	L	93.8	Very high	89.4	Confident	81 Å²	81	50.6 Å²	50.6	42%	0.424	30%	0.302	S	S	.	.	S	Bend	trans	-60.8	138.7	174.1	-61.7	-179.8	0	0	0	110.2	R189 Q311 G313 N317 S318	R189-L315 PolarHBondContact NH1-O 2.86Å; Q311-L315 HydrophobicContact CB-CD1 4.11Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 2.89Å; L315-N317 PolarHBondContact O-N 2.93Å; L315-S318 PolarHBondContact O-N 2.91Å
316	E	92.8	Very high	89.8	Confident	163 Å²	163	51.4 Å²	51.4	76%	0.762	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.4	129.1	173.4	-173.8	176.2	-177.8	0	0	109.6	L314 S318 G319	L314-E316 PolarHBondContact O-N 2.78Å; E316-S318 PolarHBondContact O-N 2.75Å; E316-G319 PolarHBondContact O-N 3.38Å
317	N	92.6	Very high	90.2	Very high	43 Å²	43	53.6 Å²	53.6	23%	0.23	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	46.1	36	-174	-55.9	-27.1	0	0	0	113.7	F216 L315 G319 M320 L325	F216-N317 WeakPolarHBondContact CB-OD1 3.35Å; F216-N317 HydrophobicContact CD2-CB 4.12Å; F216-N317 HydrophobicContact CE2-CB 4.24Å; F216-N317 HydrophobicContact CG-CB 4.4Å; F216-N317 WeakPolarHBondContact CG-OD1 3.29Å; L315-N317 PolarHBondContact O-N 2.93Å; N317-G319 PolarHBondContact O-N 3.16Å; N317-G319 VanDerWaalsContact O-N 3.12Å; N317-M320 HydrophobicContact CB-CB 4.31Å; N317-M320 WeakPolarHBondContact O-CB 3.18Å; N317-M320 WeakPolarHBondContact O-CE 3.36Å; N317-M320 VanDerWaalsContact O-CG 3.24Å; N317-M320 WeakPolarHBondContact O-CG 3.49Å; N317-M320 PolarHBondContact O-N 2.8Å; N317-L325 HydrophobicContact CB-CD2 4.08Å
318	S	93.5	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	56.3	28.1	-176.3	-50.8	0	0	0	0	113.6	F216 E218 P310 Q311 L315 E316 M320	F216-S318 WeakPolarHBondContact CE1-OG 3.3Å; F216-S318 VanDerWaalsContact CZ-OG 3.24Å; F216-S318 WeakPolarHBondContact CZ-OG 3.41Å; E218-S318 PolarHBondContact OE2-OG 3.23Å; P310-S318 CarbonylContact C-O 3.57Å; P310-S318 VanDerWaalsContact CA-O 3.23Å; P310-S318 WeakPolarHBondContact CA-O 3.46Å; Q311-S318 PolarHBondContact N-O 2.96Å; Q311-S318 VanDerWaalsContact O-CB 3.3Å; Q311-S318 WeakPolarHBondContact O-CB 3.44Å; L315-S318 PolarHBondContact O-N 2.91Å; E316-S318 PolarHBondContact O-N 2.75Å; S318-M320 VanDerWaalsContact C-N 3.33Å
319	G	91.6	Very high	91.2	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	84.2	3.4	-177.5	0	0	0	0	0	114.4	T308 E316 N317	T308-G319 WeakPolarHBondContact CG2-O 3.47Å; E316-G319 PolarHBondContact O-N 3.38Å; N317-G319 PolarHBondContact O-N 3.16Å; N317-G319 VanDerWaalsContact O-N 3.12Å
320	M	89.5	Confident	91.5	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.054	32%	0.315	C	S	.	.			trans	-72.7	138.6	178.9	-64.7	-177.3	-80.9	0	0	111.8	F216 A236 F305 P310 N317 S318	F216-M320 HydrophobicContact CD2-CE 4.38Å; F216-M320 HydrophobicContact CE2-CE 3.21Å; F216-M320 HydrophobicContact CZ-CE 3.44Å; F216-M320 VanDerWaalsContact CZ-CE 3.44Å; A236-M320 HydrophobicContact CB-CE 3.88Å; F305-M320 HydrophobicContact CD1-CB 4.44Å; F305-M320 HydrophobicContact CD1-CG 3.73Å; F305-M320 HydrophobicContact CD1-SD 3.41Å; F305-M320 WeakPolarHBondContact CD1-SD 3.46Å; F305-M320 HydrophobicContact CE1-CG 4.05Å; F305-M320 HydrophobicContact CE1-SD 3.12Å; F305-M320 WeakPolarHBondContact CE1-SD 3.4Å; F305-M320 HydrophobicContact CG-CG 4.46Å; F305-M320 HydrophobicContact CZ-SD 4.03Å; P310-M320 HydrophobicContact CB-CG 4.04Å; P310-M320 HydrophobicContact CB-SD 4.31Å; P310-M320 HydrophobicContact CG-CG 3.7Å; P310-M320 HydrophobicContact CG-SD 3.8Å; N317-M320 HydrophobicContact CB-CB 4.31Å; N317-M320 WeakPolarHBondContact O-CB 3.18Å; N317-M320 WeakPolarHBondContact O-CE 3.36Å; N317-M320 VanDerWaalsContact O-CG 3.24Å; N317-M320 WeakPolarHBondContact O-CG 3.49Å; N317-M320 PolarHBondContact O-N 2.8Å; S318-M320 VanDerWaalsContact C-N 3.33Å
321	T	85.6	Confident	91.7	Very high	91 Å²	91	57.7 Å²	57.7	56%	0.558	32%	0.315	S	S	*	.			trans	-109.5	2.8	176.2	56.6	0	0	0	0	112.9
322	A	83.3	Confident	91.8	Very high	15 Å²	15	55.2 Å²	55.2	12%	0.124	30%	0.304	C	S	.	.			trans	-65.2	139.2	-179.9	0	0	0	0	0	111.7	V304	V304-A322 WeakPolarHBondContact O-CB 3.46Å
323	S	84.8	Confident	91.8	Very high	120 Å²	120	55 Å²	55	84%	0.839	30%	0.302	S	S	*	.	S	Bend	trans	-142.7	119.6	174.8	-169.9	0	0	0	0	109.9
324	P	87.3	Confident	92	Very high	117 Å²	117	55.5 Å²	55.5	76%	0.76	30%	0.304	S	S	*	.	S	Bend	cis	-64.8	160.7	-4.3	30.6	-35.9	0	0	0	112.4
325	L	89.1	Confident	92.1	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.225	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-60.8	148.3	169.9	-72.6	172.3	0	0	0	109.9	L215 F216 N317	L215-L325 WeakPolarHBondContact O-CD1 3.38Å; F216-L325 HydrophobicContact CD2-CD1 3.92Å; N317-L325 HydrophobicContact CB-CD2 4.08Å
326	P	88.2	Confident	92.1	Very high	17 Å²	17	50.7 Å²	50.7	11%	0.11	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.2	149.3	175.9	31.1	-36.8	0	0	0	110.5	H235 V304 F305 E329	H235-P326 PolarHBondContact CD2-O 2.75Å; H235-P326 VanDerWaalsContact CD2-O 3.24Å; V304-P326 HydrophobicContact CG1-CB 3.93Å; V304-P326 HydrophobicContact CG1-CG 4.22Å; F305-P326 HydrophobicContact CE1-CG 4.03Å; P326-E329 HydrophobicContact CB-CG 3.49Å; P326-E329 VanDerWaalsContact CB-CG 3.49Å; P326-E329 HydrophobicContact CG-CB 4.45Å; P326-E329 HydrophobicContact CG-CG 3.75Å
327	Q	87.9	Confident	92.1	Very high	165 Å²	165	46 Å²	46	77%	0.771	27%	0.265	S	S	*	.	S	Bend	trans	-65.8	-51.2	179.7	-168.2	176.7	6.8	0	0	111.2	P211	P211-Q327 WeakPolarHBondContact CB-O 3.25Å; P211-Q327 WeakPolarHBondContact CG-O 3.2Å
328	Q	93.8	Very high	92.1	Very high	71 Å²	71	46.4 Å²	46.4	33%	0.332	28%	0.275	S	S	.	.			trans	-153.2	125.4	175.7	-63.1	-169.3	-65.6	0	0	110.1	P211 P232 G234	P211-Q328 HydrophobicContact CG-CG 3.65Å; P232-Q328 HydrophobicContact CB-CB 4.31Å; P232-Q328 PolarHBondContact O-NE2 3.41Å; G234-Q328 WeakPolarHBondContact O-CA 3.38Å
329	E	95.2	Very high	92.1	Very high	53 Å²	53	50.9 Å²	50.9	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.5	179.2	-73.9	-66.3	165.3	0	0	112.6	H235 D237 V304 F305 P326	H235-E329 PolarHBondContact O-N 3.12Å; D237-E329 PolarHBondContact N-O 2.77Å; V304-E329 HydrophobicContact CG1-CG 3.95Å; F305-E329 HydrophobicContact CZ-CB 4Å; F305-E329 HydrophobicContact CZ-CG 4.13Å; P326-E329 HydrophobicContact CB-CG 3.49Å; P326-E329 VanDerWaalsContact CB-CG 3.49Å; P326-E329 HydrophobicContact CG-CB 4.45Å; P326-E329 HydrophobicContact CG-CG 3.75Å
330	K	97.6	Very high	92.2	Very high	81 Å²	81	52.6 Å²	52.6	35%	0.352	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.5	176.5	-62.5	-174.5	-177	177.5	0	110.1	F239 P286 C287 F332	F239-K330 HydrophobicContact CD2-CB 4.34Å; F239-K330 HydrophobicContact CD2-CG 4.45Å; F239-K330 HydrophobicContact CE2-CB 4.25Å; F239-K330 HydrophobicContact CE2-CD 4.29Å; F239-K330 HydrophobicContact CE2-CG 3.9Å; P286-K330 WeakPolarHBondContact CA-O 3.09Å; C287-K330 PolarHBondContact N-O 2.94Å; K330-F332 HydrophobicContact CB-CE2 3.89Å; K330-F332 HydrophobicContact CB-CZ 4.12Å; K330-F332 HydrophobicContact CD-CZ 4.45Å
331	L	97.6	Very high	92.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.9	179.5	-57.4	172.2	0	0	0	109	A236 D237 F238 F239 I285 P286 F305 P310	A236-L331 HydrophobicContact CB-CD1 3.76Å; D237-L331 PolarHBondContact O-N 2.91Å; F238-L331 CarbonylContact C-O 3.58Å; F238-L331 WeakPolarHBondContact CA-O 3.44Å; F238-L331 HydrophobicContact CD1-CB 3.93Å; F238-L331 HydrophobicContact CD1-CD1 3.85Å; F238-L331 HydrophobicContact CD2-CD1 4.25Å; F238-L331 HydrophobicContact CE1-CB 4.32Å; F238-L331 HydrophobicContact CE1-CD1 3.52Å; F238-L331 HydrophobicContact CE2-CD1 3.95Å; F238-L331 HydrophobicContact CG-CB 4.36Å; F238-L331 HydrophobicContact CG-CD1 4.21Å; F238-L331 HydrophobicContact CZ-CD1 3.57Å; F239-L331 PolarHBondContact N-O 2.83Å; I285-L331 WeakPolarHBondContact O-CA 3.31Å; P286-L331 HydrophobicContact CB-CD2 4.09Å; F305-L331 HydrophobicContact CE2-CD2 3.55Å; F305-L331 HydrophobicContact CZ-CD2 3.82Å; P310-L331 HydrophobicContact CB-CD1 3.72Å; P310-L331 HydrophobicContact CG-CD1 3.77Å; P310-L331 HydrophobicContact CG-CD2 4.02Å
332	F	98.1	Very high	92.7	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	178.5	-61.9	-81.7	0	0	0	110.5	F239 I285 C287 Y290 F293 K330	F239-F332 HydrophobicContact CB-CD1 3.61Å; F239-F332 HydrophobicContact CB-CE1 3.49Å; F239-F332 VanDerWaalsContact CB-CE1 3.49Å; F239-F332 HydrophobicContact CB-CZ 4.45Å; F239-F332 HydrophobicContact CD2-CE1 4.26Å; F239-F332 HydrophobicContact CD2-CZ 4.46Å; F239-F332 AromaticContact CG-CE1 3.94Å; F239-F332 HydrophobicContact CG-CE1 3.94Å; I285-F332 PolarHBondContact N-O 3.36Å; I285-F332 PolarHBondContact O-N 3.08Å; C287-F332 HydrophobicContact CB-CD2 3.69Å; C287-F332 HydrophobicContact CB-CE2 4.06Å; C287-F332 WeakPolarHBondContact O-CE2 3.44Å; Y290-F332 HydrophobicContact CD2-CB 4.4Å; Y290-F332 AromaticContact CD2-CD1 3.63Å; Y290-F332 HydrophobicContact CD2-CD1 3.63Å; Y290-F332 HydrophobicContact CD2-CE1 4.3Å; Y290-F332 HydrophobicContact CD2-CG 4.24Å; Y290-F332 HydrophobicContact CG-CD1 4.11Å; Y290-F332 HydrophobicContact CG-CE1 4.33Å; Y290-F332 VanDerWaalsContact N-CZ 3.33Å; F293-F332 HydrophobicContact CB-CB 3.95Å; F293-F332 HydrophobicContact CB-CD2 4.25Å; F293-F332 HydrophobicContact CB-CG 4.16Å; F293-F332 HydrophobicContact CD1-CB 3.79Å; F293-F332 HydrophobicContact CD2-CB 3.79Å; F293-F332 HydrophobicContact CE1-CB 4.21Å; F293-F332 HydrophobicContact CE2-CB 4.21Å; F293-F332 HydrophobicContact CG-CB 3.55Å; F293-F332 HydrophobicContact CG-CG 4.29Å; F293-F332 HydrophobicContact CZ-CB 4.41Å; K330-F332 HydrophobicContact CB-CE2 3.89Å; K330-F332 HydrophobicContact CB-CZ 4.12Å; K330-F332 HydrophobicContact CD-CZ 4.45Å
333	L	97.4	Very high	93.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	145.6	170.6	70.4	173.2	0	0	0	109.2	F238 L240 N241 L282 T283 I312 T335	F238-L333 HydrophobicContact CB-CD2 4.29Å; F238-L333 HydrophobicContact CD1-CD2 4.24Å; L240-L333 HydrophobicContact CD1-CD2 3.64Å; L240-L333 HydrophobicContact CG-CD2 3.9Å; L240-L333 HydrophobicContact CG-CG 4.45Å; N241-L333 PolarHBondContact N-O 2.99Å; L282-L333 HydrophobicContact CB-CD1 4.34Å; T283-L333 VanDerWaalsContact O-CB 3.29Å; T283-L333 WeakPolarHBondContact O-CB 3.25Å; I312-L333 HydrophobicContact CD1-CD1 4.32Å; L333-T335 HydrophobicContact CD1-CG2 4.44Å; L333-T335 HydrophobicContact CG-CG2 4.35Å
334	L	97.3	Very high	93.6	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.079	27%	0.265	C	S	.	.			trans	-86.1	146.7	166.5	-54.8	179.2	0	0	0	110.1	N241 Y290 F293 L294 A343 H345 V389 A391	N241-L334 WeakPolarHBondContact OD1-CA 3.24Å; Y290-L334 HydrophobicContact CE2-CD2 3.95Å; Y290-L334 WeakPolarHBondContact OH-CD2 3.05Å; F293-L334 HydrophobicContact CE1-CD2 4.01Å; F293-L334 HydrophobicContact CE1-CG 3.9Å; F293-L334 HydrophobicContact CZ-CG 4.26Å; L294-L334 HydrophobicContact CD2-CD2 4.21Å; L334-A343 WeakPolarHBondContact O-CB 3.44Å; L334-H345 PolarHBondContact N-NE2 2.96Å; L334-H345 PolarHBondContact O-NE2 3.29Å; L334-V389 HydrophobicContact CD1-CG1 3.99Å; L334-A391 HydrophobicContact CB-CB 3.62Å; L334-A391 HydrophobicContact CD1-CB 3.75Å; L334-A391 VanDerWaalsContact CD1-N 3.35Å; L334-A391 HydrophobicContact CG-CB 4.33Å
335	T	96.6	Very high	93.9	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	23%	0.231	C	C	.	.			trans	-130.8	155.7	174.7	63.8	0	0	0	0	110.8	L240 N241 L282 L333 F341	L240-T335 HydrophobicContact CD2-CG2 4.38Å; L240-T335 HydrophobicContact CG-CG2 4.23Å; N241-T335 PolarHBondContact ND2-OG1 2.79Å; N241-T335 PolarHBondContact OD1-N 3.21Å; N241-T335 PolarHBondContact OD1-O 2.95Å; L282-T335 HydrophobicContact CD2-CG2 4.32Å; L333-T335 HydrophobicContact CD1-CG2 4.44Å; L333-T335 HydrophobicContact CG-CG2 4.35Å; T335-F341 WeakPolarHBondContact CA-O 3.48Å; T335-F341 WeakPolarHBondContact CB-O 3.37Å
336	T	94.8	Very high	94.2	Very high	25 Å²	25	39.2 Å²	39.2	15%	0.153	22%	0.22	C	C	.	.			trans	-83.9	173	176	49	0	0	0	0	112	A338 F341 C342 A343 L393	T336-A338 VanDerWaalsContact C-N 3.33Å; T336-A338 PolarHBondContact O-N 2.79Å; T336-F341 PolarHBondContact N-O 2.8Å; T336-F341 WeakPolarHBondContact O-CD1 3.15Å; T336-F341 VanDerWaalsContact OG1-C 3.25Å; T336-F341 VanDerWaalsContact OG1-CA 3.3Å; T336-F341 WeakPolarHBondContact OG1-CA 3.28Å; T336-C342 WeakPolarHBondContact CG2-O 3.33Å; T336-C342 PolarHBondContact OG1-O 2.89Å; T336-A343 HydrophobicContact CG2-CB 4.25Å; T336-L393 HydrophobicContact CG2-CD2 3.66Å; T336-L393 HydrophobicContact CG2-CG 4.38Å
337	S	93.5	Very high	94.6	Very high	64 Å²	64	38.9 Å²	38.9	45%	0.448	22%	0.218	S	C	.	.	S	Bend	trans	-75.8	-17.4	-172.7	56.1	0	0	0	0	115.3	A247 R267	A247-S337 VanDerWaalsContact O-CA 3.26Å; A247-S337 WeakPolarHBondContact O-CA 3.17Å; R267-S337 PolarHBondContact NH1-O 2.81Å
338	A	92.4	Very high	94.9	Very high	52 Å²	52	31 Å²	31	43%	0.43	18%	0.181	S	C	.	.	S	Bend	trans	-136.4	155	-171.9	0	0	0	0	0	111.5	T336 F341	T336-A338 VanDerWaalsContact C-N 3.33Å; T336-A338 PolarHBondContact O-N 2.79Å; A338-F341 VanDerWaalsContact CA-CE1 3.47Å; A338-F341 VanDerWaalsContact O-CA 3.3Å; A338-F341 WeakPolarHBondContact O-CA 3.45Å; A338-F341 WeakPolarHBondContact O-CD1 3.12Å; A338-F341 PolarHBondContact O-N 3.15Å
339	P	92.1	Very high	95	Very high	93 Å²	93	29.9 Å²	29.9	60%	0.604	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	142.1	175	-22.6	31.3	0	0	0	111.4	F341	P339-F341 VanDerWaalsContact C-N 3.28Å; P339-F341 VanDerWaalsContact CA-N 3.32Å; P339-F341 HydrophobicContact CB-CD2 4.48Å; P339-F341 HydrophobicContact CB-CE2 4.09Å; P339-F341 HydrophobicContact CB-CZ 4.22Å; P339-F341 VanDerWaalsContact CD-CZ 3.45Å; P339-F341 HydrophobicContact CG-CE1 4.07Å; P339-F341 HydrophobicContact CG-CE2 3.75Å; P339-F341 HydrophobicContact CG-CZ 3.48Å; P339-F341 VanDerWaalsContact CG-CZ 3.48Å
340	P	94.1	Very high	95.1	Very high	58 Å²	58	27.3 Å²	27.3	38%	0.377	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.8	12	7.7	33.5	-36.8	0	0	0	115	C280 C342	C280-P340 HydrophobicContact CB-CB 4.5Å; P340-C342 HydrophobicContact CG-CB 4.36Å; P340-C342 PolarHBondContact O-N 3.34Å; P340-C342 VanDerWaalsContact O-N 3.15Å
341	F	95.1	Very high	95	Very high	5 Å²	5	27 Å²	27	2%	0.022	16%	0.163	C	C	.	.			trans	64	11.3	-178.7	-49.7	-65.5	0	0	0	114.8	R267 H270 V271 S274 T335 T336 A338 P339	R267-F341 VanDerWaalsContact NH1-CD1 3.32Å; H270-F341 HydrophobicContact CB-CE2 3.84Å; H270-F341 HydrophobicContact CB-CZ 3.9Å; H270-F341 WeakPolarHBondContact O-CE2 3.2Å; V271-F341 HydrophobicContact CB-CD2 4.36Å; V271-F341 HydrophobicContact CG2-CB 4.09Å; V271-F341 HydrophobicContact CG2-CD2 3.69Å; V271-F341 HydrophobicContact CG2-CE2 4.23Å; V271-F341 HydrophobicContact CG2-CG 3.86Å; S274-F341 WeakPolarHBondContact OG-CD2 3.17Å; S274-F341 VanDerWaalsContact OG-CE2 3.25Å; S274-F341 WeakPolarHBondContact OG-CE2 3.26Å; T335-F341 WeakPolarHBondContact CA-O 3.48Å; T335-F341 WeakPolarHBondContact CB-O 3.37Å; T336-F341 PolarHBondContact N-O 2.8Å; T336-F341 WeakPolarHBondContact O-CD1 3.15Å; T336-F341 VanDerWaalsContact OG1-C 3.25Å; T336-F341 VanDerWaalsContact OG1-CA 3.3Å; T336-F341 WeakPolarHBondContact OG1-CA 3.28Å; A338-F341 VanDerWaalsContact CA-CE1 3.47Å; A338-F341 VanDerWaalsContact O-CA 3.3Å; A338-F341 WeakPolarHBondContact O-CA 3.45Å; A338-F341 WeakPolarHBondContact O-CD1 3.12Å; A338-F341 PolarHBondContact O-N 3.15Å; P339-F341 VanDerWaalsContact C-N 3.28Å; P339-F341 VanDerWaalsContact CA-N 3.32Å; P339-F341 HydrophobicContact CB-CD2 4.48Å; P339-F341 HydrophobicContact CB-CE2 4.09Å; P339-F341 HydrophobicContact CB-CZ 4.22Å; P339-F341 VanDerWaalsContact CD-CZ 3.45Å; P339-F341 HydrophobicContact CG-CE1 4.07Å; P339-F341 HydrophobicContact CG-CE2 3.75Å; P339-F341 HydrophobicContact CG-CZ 3.48Å; P339-F341 VanDerWaalsContact CG-CZ 3.48Å
342	C	91.6	Very high	94.9	Very high	26 Å²	26	27 Å²	27	18%	0.176	16%	0.164	C	C	.	.			trans	-59.7	141	175.5	-63.4	0	0	0	0	111.8	C280 T336 P340	C280-C342 HydrophobicContact CB-CB 4.36Å; C280-C342 WeakPolarHBondContact CB-SG 3.31Å; C280-C342 WeakPolarHBondContact SG-CA 3.39Å; C280-C342 WeakPolarHBondContact SG-CB 3.09Å; C280-C342 CovalentContact SG-SG 2.02Å; C280-C342 PolarHBondContact SG-SG 3.34Å; T336-C342 WeakPolarHBondContact CG2-O 3.33Å; T336-C342 PolarHBondContact OG1-O 2.89Å; P340-C342 HydrophobicContact CG-CB 4.36Å; P340-C342 PolarHBondContact O-N 3.34Å; P340-C342 VanDerWaalsContact O-N 3.15Å
343	A	92.9	Very high	94.7	Very high	19 Å²	19	28.5 Å²	28.5	16%	0.157	18%	0.175	C	C	.	.			trans	-144.1	137.2	165.1	0	0	0	0	0	108.8	L334 T336 A391 H392	L334-A343 WeakPolarHBondContact O-CB 3.44Å; T336-A343 HydrophobicContact CG2-CB 4.25Å; A343-A391 HydrophobicContact CB-CB 3.63Å; A343-H392 CarbonylContact C-O 3.57Å; A343-H392 WeakPolarHBondContact CA-O 3.35Å
344	H	93.1	Very high	94.5	Very high	55 Å²	55	33.8 Å²	33.8	26%	0.255	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.8	164.6	-66.7	-95.7	0	0	0	108.3	I346 A391 H392 V394 P395 E426	H344-I346 HydrophobicContact CB-CD1 4.31Å; H344-I346 PolarHBondContact O-N 3.1Å; H344-A391 WeakPolarHBondContact O-CA 3.34Å; H344-H392 PolarHBondContact N-O 2.94Å; H344-H392 PolarHBondContact O-N 3.18Å; H344-V394 WeakPolarHBondContact CB-O 3.32Å; H344-V394 VanDerWaalsContact CG-C 3.5Å; H344-P395 WeakPolarHBondContact ND1-CA 3.34Å; H344-E426 IonicContact CE1-OE1 2.83Å; H344-E426 IonicContact CG-OE1 3.17Å; H344-E426 IonicContact ND1-OE1 2.99Å; H344-E426 PolarHBondContact ND1-OE1 2.8Å
345	H	94.8	Very high	94.1	Very high	11 Å²	11	34 Å²	34	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	105.9	179.1	-56.1	109.9	0	0	0	109.5	L334 V389 E426 F427	L334-H345 PolarHBondContact N-NE2 2.96Å; L334-H345 PolarHBondContact O-NE2 3.29Å; H345-V389 HydrophobicContact CB-CG1 4.03Å; H345-E426 WeakPolarHBondContact O-CA 3.11Å; H345-F427 HydrophobicContact CB-CD1 4.08Å; H345-F427 HydrophobicContact CB-CD2 4.37Å; H345-F427 HydrophobicContact CB-CE1 3.64Å; H345-F427 HydrophobicContact CB-CE2 3.98Å; H345-F427 HydrophobicContact CB-CG 4.43Å; H345-F427 HydrophobicContact CB-CZ 3.59Å; H345-F427 VanDerWaalsContact O-CD1 3.29Å; H345-F427 WeakPolarHBondContact O-CD1 3.4Å; H345-F427 PolarHBondContact O-N 2.88Å; H345-F427 VanDerWaalsContact O-N 3.09Å
346	I	94.6	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.7	178.1	-50.7	-56.1	0	0	0	108.6	H344 L365 V389 I390 H392 L396 I399 I424 S425 E426	H344-I346 HydrophobicContact CB-CD1 4.31Å; H344-I346 PolarHBondContact O-N 3.1Å; I346-L365 HydrophobicContact CB-CD1 4.23Å; I346-L365 HydrophobicContact CG1-CD1 4.36Å; I346-L365 HydrophobicContact CG2-CD1 4.08Å; I346-V389 WeakPolarHBondContact O-CA 3.44Å; I346-I390 PolarHBondContact N-O 3.33Å; I346-I390 PolarHBondContact O-N 3.12Å; I346-H392 HydrophobicContact CG1-CB 3.94Å; I346-L396 HydrophobicContact CD1-CB 4.21Å; I346-I399 HydrophobicContact CD1-CD1 4.09Å; I346-I399 HydrophobicContact CG1-CD1 4Å; I346-I424 HydrophobicContact CG2-CB 4.29Å; I346-S425 CarbonylContact C-O 3.51Å; I346-S425 WeakPolarHBondContact CA-O 3.32Å; I346-E426 HydrophobicContact CD1-CB 3.96Å; I346-E426 HydrophobicContact CD1-CG 4.15Å
347	L	95.6	Very high	93.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.6	170.2	176.7	64.6	0	0	0	109.1	L299 R387 V389 I424 S425 F427	L299-L347 HydrophobicContact CD1-CD2 4Å; L299-L347 HydrophobicContact CD2-CD2 3.99Å; L347-R387 HydrophobicContact CD1-CB 4.21Å; L347-V389 HydrophobicContact CD1-CG2 4.22Å; L347-I424 CarbonylContact O-C 3.48Å; L347-I424 VanDerWaalsContact O-CA 3.24Å; L347-I424 WeakPolarHBondContact O-CA 3.43Å; L347-S425 PolarHBondContact N-O 2.83Å; L347-S425 PolarHBondContact O-N 3.13Å; L347-F427 HydrophobicContact CB-CD1 4.12Å; L347-F427 HydrophobicContact CB-CE1 4.05Å
348	V	95.8	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.6	168.9	-177.9	0	0	0	0	108.9	L350 V363 R387 R388 I390 I424	V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 4.2Å; V348-V363 HydrophobicContact CG1-CG1 4.3Å; V348-V363 HydrophobicContact CG1-CG2 4.46Å; V348-V363 HydrophobicContact CG2-CG1 4.37Å; V348-R387 CarbonylContact O-C 3.57Å; V348-R387 WeakPolarHBondContact O-CA 3.38Å; V348-R388 PolarHBondContact N-O 3.39Å; V348-R388 PolarHBondContact O-N 3.02Å; V348-I390 HydrophobicContact CB-CD1 4.46Å; V348-I390 HydrophobicContact CG2-CD1 3.7Å; V348-I390 HydrophobicContact CG2-CG1 4.39Å; V348-I424 HydrophobicContact CB-CG2 4.4Å; V348-I424 HydrophobicContact CG1-CG2 4.32Å; V348-I424 HydrophobicContact CG2-CG2 3.94Å
349	Q	95.9	Very high	92.9	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.22	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.1	173.4	-177	178.6	-77.1	0	0	110	V385 Y386 R387 V422 C423	Q349-V385 HydrophobicContact CG-CG1 4.18Å; Q349-Y386 CarbonylContact C-O 3.55Å; Q349-Y386 WeakPolarHBondContact CA-O 3.27Å; Q349-R387 HydrophobicContact CB-CG 4.25Å; Q349-R387 HydrophobicContact CG-CG 3.98Å; Q349-R387 VanDerWaalsContact OE1-CZ 3.28Å; Q349-V422 WeakPolarHBondContact O-CA 3.47Å; Q349-C423 HydrophobicContact CB-CB 4.32Å; Q349-C423 PolarHBondContact N-O 2.92Å; Q349-C423 PolarHBondContact O-N 3.37Å
350	L	95.8	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.9	176.7	-49.8	179.3	0	0	0	108.8	V348 V352 V363 L377 V385 Y386 L404 F419 V422	V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 4.2Å; L350-V352 HydrophobicContact CB-CG2 4.33Å; L350-V363 HydrophobicContact CD1-CG2 4.24Å; L350-L377 HydrophobicContact CD1-CD1 3.59Å; L350-L377 HydrophobicContact CG-CD1 4.41Å; L350-V385 WeakPolarHBondContact O-CA 3.41Å; L350-Y386 PolarHBondContact N-O 2.87Å; L350-Y386 PolarHBondContact O-N 3.18Å; L350-L404 HydrophobicContact CD2-CD2 4.23Å; L350-F419 HydrophobicContact CB-CD1 4.17Å; L350-F419 HydrophobicContact CB-CE1 4.01Å; L350-F419 HydrophobicContact CD1-CE1 4.02Å; L350-F419 HydrophobicContact CD2-CE1 4.4Å; L350-F419 HydrophobicContact CG-CE1 4.37Å; L350-V422 HydrophobicContact CD2-CB 4.25Å; L350-V422 HydrophobicContact CD2-CG1 3.78Å; L350-V422 HydrophobicContact CD2-CG2 3.9Å
351	E	96.7	Very high	92.7	Very high	73 Å²	73	39.1 Å²	39.1	34%	0.341	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.1	169.5	-168.9	-175.2	-178.1	0	0	108.5	T384 V385 F419 V420 S421	E351-T384 CarbonylContact C-O 3.54Å; E351-T384 WeakPolarHBondContact CA-O 3.4Å; E351-V385 HydrophobicContact CG-CG2 4.32Å; E351-F419 CarbonylContact O-C 3.53Å; E351-F419 VanDerWaalsContact O-CA 3.32Å; E351-F419 WeakPolarHBondContact O-CA 3.38Å; E351-V420 HydrophobicContact CB-CB 4.09Å; E351-V420 HydrophobicContact CG-CB 3.78Å; E351-V420 HydrophobicContact CG-CG1 4.24Å; E351-V420 HydrophobicContact CG-CG2 4.25Å; E351-V420 PolarHBondContact O-N 2.84Å; E351-V420 WeakPolarHBondContact OE2-CG1 2.95Å; E351-S421 VanDerWaalsContact CB-OG 3.26Å; E351-S421 WeakPolarHBondContact CB-OG 3.23Å; E351-S421 PolarHBondContact N-O 2.79Å; E351-S421 PolarHBondContact O-N 2.84Å; E351-S421 PolarHBondContact OE2-OG 3.2Å
352	V	95.3	Very high	92.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.5	-169	-162.6	0	0	0	0	109.3	L350 L355 L379 T384 Y386 I417 F419	L350-V352 HydrophobicContact CB-CG2 4.33Å; V352-L355 HydrophobicContact CG1-CD2 4.11Å; V352-L355 HydrophobicContact CG1-CG 4.37Å; V352-L379 HydrophobicContact CG1-CD1 4.39Å; V352-L379 HydrophobicContact CG2-CD1 4.17Å; V352-T384 PolarHBondContact N-O 3.29Å; V352-T384 WeakPolarHBondContact O-CB 3.05Å; V352-Y386 HydrophobicContact CG2-CD2 4.04Å; V352-Y386 HydrophobicContact CG2-CE2 4.23Å; V352-I417 HydrophobicContact CG1-CG2 3.53Å; V352-F419 HydrophobicContact CG2-CD1 3.68Å; V352-F419 HydrophobicContact CG2-CE1 3.69Å
353	S	94.3	Very high	92.9	Very high	39 Å²	39	38.4 Å²	38.4	27%	0.273	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-63.7	154.7	169.9	-54.9	0	0	0	0	110.3	L355 H418	S353-L355 PolarHBondContact O-N 3.34Å; S353-H418 WeakPolarHBondContact CB-O 3.34Å; S353-H418 PolarHBondContact N-O 2.84Å; S353-H418 PolarHBondContact OG-O 2.76Å; S353-H418 VanDerWaalsContact OG-O 3.13Å
354	P	93.1	Very high	93.1	Very high	111 Å²	111	37.5 Å²	37.5	72%	0.721	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-50.3	133	177.9	-28	35.5	0	0	0	112.2
355	L	88.9	Confident	93.2	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-101.6	133.4	-177.1	-63.1	172.8	0	0	0	110.5	V352 S353 K357 A359 L379 T381 I417	V352-L355 HydrophobicContact CG1-CD2 4.11Å; V352-L355 HydrophobicContact CG1-CG 4.37Å; S353-L355 PolarHBondContact O-N 3.34Å; L355-K357 WeakPolarHBondContact CB-O 3.36Å; L355-K357 PolarHBondContact O-N 3.03Å; L355-A359 HydrophobicContact CD1-CB 3.98Å; L355-L379 HydrophobicContact CD1-CB 3.55Å; L355-L379 HydrophobicContact CD1-CD1 4.12Å; L355-T381 WeakPolarHBondContact O-CB 3.05Å; L355-T381 WeakPolarHBondContact O-CG2 3.06Å; L355-I417 HydrophobicContact CD2-CG2 4.3Å
356	D	86.4	Confident	93.2	Very high	165 Å²	165	37.8 Å²	37.8	88%	0.882	20%	0.196	S	C	*	.	S	Bend	trans	-68.9	-26.5	172.7	-64.9	-34	0	0	0	112.5
357	K	86.5	Confident	93.1	Very high	128 Å²	128	38.8 Å²	38.8	56%	0.557	20%	0.202	S	C	*	.	S	Bend	trans	-145.2	155.5	-178.6	-64.6	-174.9	-176.5	177.1	0	110.7	L355	L355-K357 WeakPolarHBondContact CB-O 3.36Å; L355-K357 PolarHBondContact O-N 3.03Å
358	T	88.8	Confident	92.9	Very high	53 Å²	53	43 Å²	43	33%	0.325	23%	0.232	S	C	.	.			trans	-58.4	148.5	173.9	61.6	0	0	0	0	111.6	L379 E380 T381	T358-L379 CarbonylContact C-O 3.59Å; T358-L379 VanDerWaalsContact CA-O 3.29Å; T358-L379 WeakPolarHBondContact CA-O 3.39Å; T358-E380 WeakPolarHBondContact CG2-OE2 3.3Å; T358-T381 HydrophobicContact CG2-CG2 4.38Å
359	A	89.1	Confident	92.7	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.4	-171.1	0	0	0	0	0	112	L355 R378 L379 Q414 I417	L355-A359 HydrophobicContact CD1-CB 3.98Å; A359-R378 CarbonylContact O-C 3.58Å; A359-R378 WeakPolarHBondContact O-CA 3.44Å; A359-L379 HydrophobicContact CB-CB 4.02Å; A359-L379 HydrophobicContact CB-CD1 4.15Å; A359-L379 HydrophobicContact CB-CG 4.29Å; A359-L379 PolarHBondContact N-O 2.89Å; A359-L379 PolarHBondContact O-N 3.41Å; A359-Q414 VanDerWaalsContact CA-NE2 3.3Å; A359-Q414 VanDerWaalsContact CA-OE1 3.3Å; A359-Q414 HydrophobicContact CB-CG 4.08Å; A359-I417 HydrophobicContact CB-CD1 4.07Å; A359-I417 HydrophobicContact CB-CG1 4.49Å
360	E	90.7	Very high	92.5	Very high	53 Å²	53	48 Å²	48	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.8	167.1	-168.3	-178.2	-72.8	0	0	110.1	R376 L377 T407 Q414	E360-R376 HydrophobicContact CG-CB 4.47Å; E360-R376 WeakPolarHBondContact OE2-CD 3.35Å; E360-R376 IonicContact OE2-CZ 2.71Å; E360-R376 IonicContact OE2-NE 3.22Å; E360-R376 IonicContact OE2-NH1 3.56Å; E360-R376 PolarHBondContact OE2-NH1 2.83Å; E360-L377 WeakPolarHBondContact CA-O 3.01Å; E360-T407 WeakPolarHBondContact CB-OG1 3.22Å; E360-T407 WeakPolarHBondContact CG-OG1 3.47Å; E360-T407 PolarHBondContact O-N 3.41Å; E360-T407 VanDerWaalsContact O-N 3.11Å; E360-T407 PolarHBondContact O-OG1 3.22Å; E360-T407 PolarHBondContact OE2-OG1 3.02Å; E360-Q414 VanDerWaalsContact N-OE1 3.12Å
361	V	92.5	Very high	92.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.9	-179.9	177.2	0	0	0	0	108.9	R376 L377 L379 L404 K405 I417 F419	V361-R376 CarbonylContact O-C 3.56Å; V361-R376 WeakPolarHBondContact O-CA 3.22Å; V361-L377 PolarHBondContact N-O 3.24Å; V361-L377 PolarHBondContact O-N 3.38Å; V361-L379 HydrophobicContact CG2-CD1 3.65Å; V361-L379 HydrophobicContact CG2-CG 4.22Å; V361-L404 HydrophobicContact CG1-CD2 3.93Å; V361-K405 WeakPolarHBondContact CA-O 3.49Å; V361-I417 HydrophobicContact CG2-CD1 3.27Å; V361-F419 HydrophobicContact CG1-CZ 4.1Å; V361-F419 HydrophobicContact CG2-CZ 4Å
362	Q	94.6	Very high	92.1	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.065	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.1	169.6	177.5	178	-12.3	0	0	109.1	T364 E374 H375 R376 L404 K405 T407	Q362-T364 PolarHBondContact NE2-OG1 3.17Å; Q362-E374 PolarHBondContact NE2-OE1 2.8Å; Q362-E374 PolarHBondContact NE2-OE2 2.84Å; Q362-E374 VanDerWaalsContact NE2-OE2 3.12Å; Q362-H375 CarbonylContact C-O 3.6Å; Q362-H375 WeakPolarHBondContact CA-O 3.06Å; Q362-R376 HydrophobicContact CB-CG 4.33Å; Q362-L404 CarbonylContact O-C 3.44Å; Q362-L404 WeakPolarHBondContact O-CA 3.33Å; Q362-K405 HydrophobicContact CB-CB 4.34Å; Q362-K405 PolarHBondContact N-O 3.36Å; Q362-K405 PolarHBondContact O-N 3.12Å; Q362-T407 HydrophobicContact CB-CG2 3.74Å
363	V	95.9	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133	168.1	-174.8	0	0	0	0	107.7	V348 L350 E374 H375 L377 I390 I402 Q403 L404	V348-V363 HydrophobicContact CG1-CG1 4.3Å; V348-V363 HydrophobicContact CG1-CG2 4.46Å; V348-V363 HydrophobicContact CG2-CG1 4.37Å; L350-V363 HydrophobicContact CD1-CG2 4.24Å; V363-E374 CarbonylContact O-C 3.5Å; V363-E374 WeakPolarHBondContact O-CA 3.16Å; V363-H375 PolarHBondContact N-O 3.04Å; V363-H375 PolarHBondContact O-N 3.31Å; V363-L377 HydrophobicContact CG2-CD1 3.87Å; V363-I390 HydrophobicContact CG1-CD1 4.41Å; V363-I402 HydrophobicContact CG1-CD1 3.93Å; V363-I402 HydrophobicContact CG1-CG1 4.2Å; V363-Q403 CarbonylContact C-O 3.42Å; V363-Q403 WeakPolarHBondContact CA-O 3.26Å; V363-L404 HydrophobicContact CB-CD2 4.25Å; V363-L404 HydrophobicContact CG1-CD2 4.33Å; V363-L404 HydrophobicContact CG2-CD2 3.67Å
364	T	96.1	Very high	92	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.8	176.4	-48.5	0	0	0	0	110.1	Q362 R366 E372 T373 E374 I402 Q403	Q362-T364 PolarHBondContact NE2-OG1 3.17Å; T364-R366 HydrophobicContact CG2-CG 4.16Å; T364-E372 HydrophobicContact CG2-CB 3.87Å; T364-E372 HydrophobicContact CG2-CG 4.46Å; T364-E372 WeakPolarHBondContact CG2-OE2 3.39Å; T364-T373 CarbonylContact C-O 3.52Å; T364-T373 VanDerWaalsContact CA-O 3.28Å; T364-T373 WeakPolarHBondContact CA-O 3.37Å; T364-E374 HydrophobicContact CG2-CG 3.81Å; T364-I402 WeakPolarHBondContact O-CA 3.33Å; T364-Q403 PolarHBondContact N-O 3.07Å; T364-Q403 PolarHBondContact O-N 2.97Å
365	L	95.3	Very high	92	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.8	172.3	-54.7	177.4	0	0	0	109.1	I346 T373 I390 H392 I399 I402	I346-L365 HydrophobicContact CB-CD1 4.23Å; I346-L365 HydrophobicContact CG1-CD1 4.36Å; I346-L365 HydrophobicContact CG2-CD1 4.08Å; L365-T373 PolarHBondContact N-O 2.83Å; L365-T373 PolarHBondContact O-N 2.8Å; L365-I390 HydrophobicContact CD1-CG2 4.47Å; L365-H392 HydrophobicContact CD1-CB 4.47Å; L365-I399 HydrophobicContact CB-CG2 4.31Å; L365-I399 HydrophobicContact CD1-CD1 4.28Å; L365-I402 HydrophobicContact CD2-CB 4.17Å; L365-I402 HydrophobicContact CD2-CD1 4.06Å; L365-I402 HydrophobicContact CD2-CG1 4.03Å
366	R	94.6	Very high	92.2	Very high	72 Å²	72	60.8 Å²	60.8	27%	0.272	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.4	-173.3	-60.6	179.2	166.7	-163.2	-17.6	110.9	T364 E372 D400 S401	T364-R366 HydrophobicContact CG2-CG 4.16Å; R366-E372 HydrophobicContact CG-CG 4.1Å; R366-E372 IonicContact CZ-OE1 3.31Å; R366-E372 VanDerWaalsContact CZ-OE1 3.22Å; R366-E372 IonicContact CZ-OE2 3.82Å; R366-E372 VanDerWaalsContact NE-CD 3.28Å; R366-E372 IonicContact NE-OE1 2.6Å; R366-E372 PolarHBondContact NE-OE1 2.04Å; R366-E372 IonicContact NE-OE2 3.64Å; R366-E372 PolarHBondContact NE-OE2 3.47Å; R366-E372 VanDerWaalsContact NH2-CD 3.28Å; R366-E372 IonicContact NH2-OE1 3.26Å; R366-E372 PolarHBondContact NH2-OE1 3.29Å; R366-E372 IonicContact NH2-OE2 2.7Å; R366-E372 PolarHBondContact NH2-OE2 2.82Å; R366-D400 WeakPolarHBondContact O-CB 3.36Å; R366-D400 PolarHBondContact O-N 2.85Å; R366-S401 PolarHBondContact N-O 3.36Å; R366-S401 PolarHBondContact O-N 2.84Å
367	T	93.8	Very high	92.5	Very high	20 Å²	20	53.8 Å²	53.8	12%	0.123	29%	0.292	C	S	.	.			trans	-138.2	135.1	169.9	-60.8	0	0	0	0	108.5	G369 L370 H392 V394 E398 D400	T367-G369 PolarHBondContact O-N 2.86Å; T367-L370 HydrophobicContact CG2-CD1 3.88Å; T367-L370 HydrophobicContact CG2-CG 4.35Å; T367-L370 PolarHBondContact O-N 2.04Å; T367-H392 PolarHBondContact OG1-NE2 3.4Å; T367-V394 HydrophobicContact CG2-CG2 4.07Å; T367-V394 WeakPolarHBondContact OG1-CG2 3.43Å; T367-E398 VanDerWaalsContact CG2-O 3.3Å; T367-E398 WeakPolarHBondContact CG2-O 3.28Å; T367-E398 PolarHBondContact OG1-O 2.77Å; T367-D400 WeakPolarHBondContact CA-OD2 3.37Å
368	S	91.6	Very high	92.7	Very high	98 Å²	98	55.5 Å²	55.5	69%	0.685	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	126	-174.7	-69.6	0	0	0	0	110.9	L370 D400	S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 3.05Å; S368-D400 WeakPolarHBondContact CA-OD2 3.44Å; S368-D400 VanDerWaalsContact CB-OD2 3.25Å; S368-D400 WeakPolarHBondContact CB-OD2 3.36Å; S368-D400 PolarHBondContact N-OD2 3.13Å; S368-D400 PolarHBondContact OG-OD2 3.04Å
369	G	91.1	Very high	92.8	Very high	88 Å²	88	53 Å²	53	91%	0.907	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-0.5	-178.9	0	0	0	0	0	115.2	T367	T367-G369 PolarHBondContact O-N 2.86Å
370	L	91.1	Very high	92.9	Very high	65 Å²	65	55.9 Å²	55.9	34%	0.34	29%	0.292	S	S	.	.	S	Bend	trans	-113.5	156.2	176.7	-61.9	-178.2	0	0	0	112.1	T367 S368 L393 V394	T367-L370 HydrophobicContact CG2-CD1 3.88Å; T367-L370 HydrophobicContact CG2-CG 4.35Å; T367-L370 PolarHBondContact O-N 2.04Å; S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 3.05Å; L370-L393 HydrophobicContact CB-CD1 4.35Å; L370-L393 HydrophobicContact CD1-CB 4.09Å; L370-L393 HydrophobicContact CD1-CD1 4.48Å; L370-L393 HydrophobicContact CD2-CD1 4.46Å; L370-V394 HydrophobicContact CD1-CG1 3.45Å; L370-V394 VanDerWaalsContact CD1-CG1 3.45Å
371	P	91.3	Very high	92.9	Very high	89 Å²	89	56.7 Å²	56.7	58%	0.578	30%	0.301	S	S	*	.			trans	-59.3	138.1	172.5	-23.1	33.7	0	0	0	112.5	L393	P371-L393 HydrophobicContact CG-CD1 4.48Å
372	E	92.6	Very high	92.7	Very high	91 Å²	91	63.4 Å²	63.4	43%	0.425	34%	0.337	S	S	.	.			trans	-63.4	140	173.9	-57.7	-166.8	-171.4	0	0	110.6	T364 R366	T364-E372 HydrophobicContact CG2-CB 3.87Å; T364-E372 HydrophobicContact CG2-CG 4.46Å; T364-E372 WeakPolarHBondContact CG2-OE2 3.39Å; R366-E372 HydrophobicContact CG-CG 4.1Å; R366-E372 IonicContact CZ-OE1 3.31Å; R366-E372 VanDerWaalsContact CZ-OE1 3.22Å; R366-E372 IonicContact CZ-OE2 3.82Å; R366-E372 VanDerWaalsContact NE-CD 3.28Å; R366-E372 IonicContact NE-OE1 2.6Å; R366-E372 PolarHBondContact NE-OE1 2.04Å; R366-E372 IonicContact NE-OE2 3.64Å; R366-E372 PolarHBondContact NE-OE2 3.47Å; R366-E372 VanDerWaalsContact NH2-CD 3.28Å; R366-E372 IonicContact NH2-OE1 3.26Å; R366-E372 PolarHBondContact NH2-OE1 3.29Å; R366-E372 IonicContact NH2-OE2 2.7Å; R366-E372 PolarHBondContact NH2-OE2 2.82Å
373	T	93.5	Very high	92.6	Very high	25 Å²	25	63.7 Å²	63.7	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.1	174.9	-62.1	0	0	0	0	109.3	T364 L365 I390 A391 H392	T364-T373 CarbonylContact C-O 3.52Å; T364-T373 VanDerWaalsContact CA-O 3.28Å; T364-T373 WeakPolarHBondContact CA-O 3.37Å; L365-T373 PolarHBondContact N-O 2.83Å; L365-T373 PolarHBondContact O-N 2.8Å; T373-I390 HydrophobicContact CG2-CG2 3.32Å; T373-A391 WeakPolarHBondContact CG2-O 3.12Å; T373-H392 WeakPolarHBondContact CB-ND1 3.49Å; T373-H392 PolarHBondContact OG1-CE1 3.13Å; T373-H392 PolarHBondContact OG1-ND1 2.97Å
374	E	94.2	Very high	92.5	Very high	113 Å²	113	67 Å²	67	53%	0.528	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	-176	-60.8	-173.6	164.4	0	0	111.9	Q362 V363 T364	Q362-E374 PolarHBondContact NE2-OE1 2.8Å; Q362-E374 PolarHBondContact NE2-OE2 2.84Å; Q362-E374 VanDerWaalsContact NE2-OE2 3.12Å; V363-E374 CarbonylContact O-C 3.5Å; V363-E374 WeakPolarHBondContact O-CA 3.16Å; T364-E374 HydrophobicContact CG2-CG 3.81Å
375	H	93.7	Very high	92.5	Very high	51 Å²	51	70.4 Å²	70.4	24%	0.236	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142	172.5	-157.1	63.1	0	0	0	112.3	Q362 V363 R388 I390	Q362-H375 CarbonylContact C-O 3.6Å; Q362-H375 WeakPolarHBondContact CA-O 3.06Å; V363-H375 PolarHBondContact N-O 3.04Å; V363-H375 PolarHBondContact O-N 3.31Å; H375-R388 PolarHBondContact CE1-NH2 3.48Å; H375-R388 VanDerWaalsContact NE2-CZ 3.27Å; H375-R388 PolarHBondContact NE2-NE 3.29Å; H375-R388 PolarHBondContact NE2-NH2 3.41Å; H375-I390 HydrophobicContact CB-CD1 3.72Å; H375-I390 HydrophobicContact CB-CG1 4.25Å
376	R	92.8	Very high	92.5	Very high	146 Å²	146	71.9 Å²	71.9	55%	0.551	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.2	-179.7	-67.8	176.2	-179.6	-141.6	8.8	110.4	E360 V361 Q362	E360-R376 HydrophobicContact CG-CB 4.47Å; E360-R376 WeakPolarHBondContact OE2-CD 3.35Å; E360-R376 IonicContact OE2-CZ 2.71Å; E360-R376 IonicContact OE2-NE 3.22Å; E360-R376 IonicContact OE2-NH1 3.56Å; E360-R376 PolarHBondContact OE2-NH1 2.83Å; V361-R376 CarbonylContact O-C 3.56Å; V361-R376 WeakPolarHBondContact O-CA 3.22Å; Q362-R376 HydrophobicContact CB-CG 4.33Å
377	L	92	Very high	92.5	Very high	18 Å²	18	73.9 Å²	73.9	9%	0.094	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129	177.4	-66.6	168.5	0	0	0	109.1	L350 E360 V361 V363 L379 R388	L350-L377 HydrophobicContact CD1-CD1 3.59Å; L350-L377 HydrophobicContact CG-CD1 4.41Å; E360-L377 WeakPolarHBondContact CA-O 3.01Å; V361-L377 PolarHBondContact N-O 3.24Å; V361-L377 PolarHBondContact O-N 3.38Å; V363-L377 HydrophobicContact CG2-CD1 3.87Å; L377-L379 HydrophobicContact CB-CD2 4.41Å; L377-R388 HydrophobicContact CD1-CB 4.29Å; L377-R388 HydrophobicContact CD2-CB 3.81Å; L377-R388 HydrophobicContact CD2-CG 4.01Å
378	R	91.8	Very high	92.6	Very high	163 Å²	163	76 Å²	76	62%	0.615	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	124	170.7	-177.8	172.1	163	170.1	-3.6	108.4	A359 E380	A359-R378 CarbonylContact O-C 3.58Å; A359-R378 WeakPolarHBondContact O-CA 3.44Å; R378-E380 WeakPolarHBondContact CD-OE1 3.21Å; R378-E380 IonicContact CZ-OE1 3.31Å; R378-E380 VanDerWaalsContact CZ-OE1 3.31Å; R378-E380 IonicContact NE-OE1 2.71Å; R378-E380 PolarHBondContact NE-OE1 3.37Å; R378-E380 IonicContact NH2-OE1 3.27Å; R378-E380 PolarHBondContact NH2-OE1 2.96Å; R378-E380 IonicContact NH2-OE2 3.7Å
379	L	91.6	Very high	92.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.2	176.8	-41.1	179.6	0	0	0	108.5	V352 L355 T358 A359 V361 L377 Y386 I417	V352-L379 HydrophobicContact CG1-CD1 4.39Å; V352-L379 HydrophobicContact CG2-CD1 4.17Å; L355-L379 HydrophobicContact CD1-CB 3.55Å; L355-L379 HydrophobicContact CD1-CD1 4.12Å; T358-L379 CarbonylContact C-O 3.59Å; T358-L379 VanDerWaalsContact CA-O 3.29Å; T358-L379 WeakPolarHBondContact CA-O 3.39Å; A359-L379 HydrophobicContact CB-CB 4.02Å; A359-L379 HydrophobicContact CB-CD1 4.15Å; A359-L379 HydrophobicContact CB-CG 4.29Å; A359-L379 PolarHBondContact N-O 2.89Å; A359-L379 PolarHBondContact O-N 3.41Å; V361-L379 HydrophobicContact CG2-CD1 3.65Å; V361-L379 HydrophobicContact CG2-CG 4.22Å; L377-L379 HydrophobicContact CB-CD2 4.41Å; L379-Y386 HydrophobicContact CB-CE1 4.26Å; L379-Y386 HydrophobicContact CB-CE2 4.1Å; L379-Y386 HydrophobicContact CD2-CD1 3.82Å; L379-Y386 HydrophobicContact CD2-CD2 3.61Å; L379-Y386 HydrophobicContact CD2-CE1 4.01Å; L379-Y386 HydrophobicContact CD2-CE2 3.81Å; L379-Y386 HydrophobicContact CD2-CG 3.62Å; L379-Y386 HydrophobicContact CG-CE2 4.46Å; L379-I417 HydrophobicContact CD1-CD1 4.32Å; L379-I417 HydrophobicContact CD1-CG2 4.28Å
380	E	91.2	Very high	93.1	Very high	65 Å²	65	67.8 Å²	67.8	30%	0.304	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-95.4	163.2	177	-59.1	-62.2	159.1	0	0	110.6	T358 R378 D382 Y386	T358-E380 WeakPolarHBondContact CG2-OE2 3.3Å; R378-E380 WeakPolarHBondContact CD-OE1 3.21Å; R378-E380 IonicContact CZ-OE1 3.31Å; R378-E380 VanDerWaalsContact CZ-OE1 3.31Å; R378-E380 IonicContact NE-OE1 2.71Å; R378-E380 PolarHBondContact NE-OE1 3.37Å; R378-E380 IonicContact NH2-OE1 3.27Å; R378-E380 PolarHBondContact NH2-OE1 2.96Å; R378-E380 IonicContact NH2-OE2 3.7Å; E380-D382 VanDerWaalsContact C-N 3.31Å; E380-D382 VanDerWaalsContact CB-OD1 3.31Å; E380-D382 WeakPolarHBondContact CB-OD1 3.31Å; E380-D382 PolarHBondContact O-N 3.22Å; E380-Y386 PolarHBondContact N-OH 3.37Å; E380-Y386 PolarHBondContact O-OH 2.87Å
381	T	89.8	Confident	93.2	Very high	70 Å²	70	65.9 Å²	65.9	43%	0.429	33%	0.325	S	S	.	.	S	Bend	trans	-73.3	-23.3	-176.5	50.5	0	0	0	0	113.7	L355 T358	L355-T381 WeakPolarHBondContact O-CB 3.05Å; L355-T381 WeakPolarHBondContact O-CG2 3.06Å; T358-T381 HydrophobicContact CG2-CG2 4.38Å
382	D	89.2	Confident	93.3	Very high	142 Å²	142	61.7 Å²	61.7	76%	0.759	30%	0.297	S	S	*	.	S	Bend	trans	-97.2	-6.6	-178.4	62.1	-22.4	0	0	0	113.5	E380	E380-D382 VanDerWaalsContact C-N 3.31Å; E380-D382 VanDerWaalsContact CB-OD1 3.31Å; E380-D382 WeakPolarHBondContact CB-OD1 3.31Å; E380-D382 PolarHBondContact O-N 3.22Å
383	G	91	Very high	93.3	Very high	20 Å²	20	60.6 Å²	60.6	21%	0.206	29%	0.294	C	S	.	.			trans	-104.7	134	180	0	0	0	0	0	113	Y386	G383-Y386 VanDerWaalsContact C-OH 3.3Å; G383-Y386 WeakPolarHBondContact CA-OH 3.41Å; G383-Y386 WeakPolarHBondContact O-CE2 3.05Å; G383-Y386 PolarHBondContact O-OH 3.42Å
384	T	94.2	Very high	93.2	Very high	70 Å²	70	60.1 Å²	60.1	43%	0.429	29%	0.291	S	S	.	.			trans	-113.7	-15.1	177.4	54.9	0	0	0	0	113.7	E351 V352	E351-T384 CarbonylContact C-O 3.54Å; E351-T384 WeakPolarHBondContact CA-O 3.4Å; V352-T384 PolarHBondContact N-O 3.29Å; V352-T384 WeakPolarHBondContact O-CB 3.05Å
385	V	95.6	Very high	93	Very high	73 Å²	73	56.1 Å²	56.1	44%	0.442	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.9	-179.9	-177.5	0	0	0	0	109.7	Q349 L350 E351	Q349-V385 HydrophobicContact CG-CG1 4.18Å; L350-V385 WeakPolarHBondContact O-CA 3.41Å; E351-V385 HydrophobicContact CG-CG2 4.32Å
386	Y	95.8	Very high	92.9	Very high	30 Å²	30	53.9 Å²	53.9	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.4	-179.7	-60.1	-92.2	0	0	0	109	Q349 L350 V352 L379 E380 G383	Q349-Y386 CarbonylContact C-O 3.55Å; Q349-Y386 WeakPolarHBondContact CA-O 3.27Å; L350-Y386 PolarHBondContact N-O 2.87Å; L350-Y386 PolarHBondContact O-N 3.18Å; V352-Y386 HydrophobicContact CG2-CD2 4.04Å; V352-Y386 HydrophobicContact CG2-CE2 4.23Å; L379-Y386 HydrophobicContact CB-CE1 4.26Å; L379-Y386 HydrophobicContact CB-CE2 4.1Å; L379-Y386 HydrophobicContact CD2-CD1 3.82Å; L379-Y386 HydrophobicContact CD2-CD2 3.61Å; L379-Y386 HydrophobicContact CD2-CE1 4.01Å; L379-Y386 HydrophobicContact CD2-CE2 3.81Å; L379-Y386 HydrophobicContact CD2-CG 3.62Å; L379-Y386 HydrophobicContact CG-CE2 4.46Å; E380-Y386 PolarHBondContact N-OH 3.37Å; E380-Y386 PolarHBondContact O-OH 2.87Å; G383-Y386 VanDerWaalsContact C-OH 3.3Å; G383-Y386 WeakPolarHBondContact CA-OH 3.41Å; G383-Y386 WeakPolarHBondContact O-CE2 3.05Å; G383-Y386 PolarHBondContact O-OH 3.42Å
387	R	95.5	Very high	92.6	Very high	115 Å²	115	49.5 Å²	49.5	43%	0.434	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.1	178.7	-72.1	-179.7	178	174.8	0.6	109.9	K295 L347 V348 Q349	K295-R387 WeakPolarHBondContact O-CB 3.48Å; L347-R387 HydrophobicContact CD1-CB 4.21Å; V348-R387 CarbonylContact O-C 3.57Å; V348-R387 WeakPolarHBondContact O-CA 3.38Å; Q349-R387 HydrophobicContact CB-CG 4.25Å; Q349-R387 HydrophobicContact CG-CG 3.98Å; Q349-R387 VanDerWaalsContact OE1-CZ 3.28Å
388	R	96.2	Very high	92.5	Very high	65 Å²	65	53.9 Å²	53.9	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	129.7	175.1	-171.1	67.4	-175.8	-161.6	-4	112.5	L294 V348 H375 L377 I390	L294-R388 CarbonylContact O-C 3.59Å; L294-R388 VanDerWaalsContact O-CA 3.24Å; L294-R388 WeakPolarHBondContact O-CA 3.34Å; V348-R388 PolarHBondContact N-O 3.39Å; V348-R388 PolarHBondContact O-N 3.02Å; H375-R388 PolarHBondContact CE1-NH2 3.48Å; H375-R388 VanDerWaalsContact NE2-CZ 3.27Å; H375-R388 PolarHBondContact NE2-NE 3.29Å; H375-R388 PolarHBondContact NE2-NH2 3.41Å; L377-R388 HydrophobicContact CD1-CB 4.29Å; L377-R388 HydrophobicContact CD2-CB 3.81Å; L377-R388 HydrophobicContact CD2-CG 4.01Å; R388-I390 HydrophobicContact CG-CG1 4.02Å
389	V	96.5	Very high	92.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130	166.2	-179.7	0	0	0	0	109.4	F293 L294 L334 H345 I346 L347 F427	F293-V389 HydrophobicContact CE1-CG1 4.29Å; F293-V389 HydrophobicContact CZ-CG1 4.07Å; F293-V389 WeakPolarHBondContact O-CG2 3.24Å; L294-V389 PolarHBondContact O-N 2.99Å; L334-V389 HydrophobicContact CD1-CG1 3.99Å; H345-V389 HydrophobicContact CB-CG1 4.03Å; I346-V389 WeakPolarHBondContact O-CA 3.44Å; L347-V389 HydrophobicContact CD1-CG2 4.22Å; V389-F427 HydrophobicContact CB-CE1 4.33Å; V389-F427 HydrophobicContact CB-CZ 4.15Å; V389-F427 HydrophobicContact CG1-CE1 3.79Å; V389-F427 HydrophobicContact CG1-CZ 3.52Å; V389-F427 HydrophobicContact CG2-CE1 3.71Å; V389-F427 HydrophobicContact CG2-CZ 3.49Å; V389-F427 VanDerWaalsContact CG2-CZ 3.49Å
390	I	95.3	Very high	92.6	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.5	179.8	-57.2	-180	0	0	0	108.3	I346 V348 V363 L365 T373 H375 R388	I346-I390 PolarHBondContact N-O 3.33Å; I346-I390 PolarHBondContact O-N 3.12Å; V348-I390 HydrophobicContact CB-CD1 4.46Å; V348-I390 HydrophobicContact CG2-CD1 3.7Å; V348-I390 HydrophobicContact CG2-CG1 4.39Å; V363-I390 HydrophobicContact CG1-CD1 4.41Å; L365-I390 HydrophobicContact CD1-CG2 4.47Å; T373-I390 HydrophobicContact CG2-CG2 3.32Å; H375-I390 HydrophobicContact CB-CD1 3.72Å; H375-I390 HydrophobicContact CB-CG1 4.25Å; R388-I390 HydrophobicContact CG-CG1 4.02Å
391	A	93.9	Very high	92.7	Very high	25 Å²	25	46.8 Å²	46.8	21%	0.207	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.4	171	0	0	0	0	0	110.2	L334 A343 H344 T373	L334-A391 HydrophobicContact CB-CB 3.62Å; L334-A391 HydrophobicContact CD1-CB 3.75Å; L334-A391 VanDerWaalsContact CD1-N 3.35Å; L334-A391 HydrophobicContact CG-CB 4.33Å; A343-A391 HydrophobicContact CB-CB 3.63Å; H344-A391 WeakPolarHBondContact O-CA 3.34Å; T373-A391 WeakPolarHBondContact CG2-O 3.12Å
392	H	93.9	Very high	92.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.8	171	-161	55.1	0	0	0	111.7	A343 H344 I346 L365 T367 T373 V394 I399	A343-H392 CarbonylContact C-O 3.57Å; A343-H392 WeakPolarHBondContact CA-O 3.35Å; H344-H392 PolarHBondContact N-O 2.94Å; H344-H392 PolarHBondContact O-N 3.18Å; I346-H392 HydrophobicContact CG1-CB 3.94Å; L365-H392 HydrophobicContact CD1-CB 4.47Å; T367-H392 PolarHBondContact OG1-NE2 3.4Å; T373-H392 WeakPolarHBondContact CB-ND1 3.49Å; T373-H392 PolarHBondContact OG1-CE1 3.13Å; T373-H392 PolarHBondContact OG1-ND1 2.97Å; H392-V394 VanDerWaalsContact CD2-CG2 3.5Å; H392-V394 WeakPolarHBondContact CD2-CG2 3.38Å; H392-I399 HydrophobicContact CB-CD1 4.46Å
393	L	91.9	Very high	93.2	Very high	69 Å²	69	37.8 Å²	37.8	36%	0.361	20%	0.202	S	C	.	.	S	Bend	trans	-77.7	-25.2	-173.6	-78	166.7	0	0	0	113.7	T336 L370 P371	T336-L393 HydrophobicContact CG2-CD2 3.66Å; T336-L393 HydrophobicContact CG2-CG 4.38Å; L370-L393 HydrophobicContact CB-CD1 4.35Å; L370-L393 HydrophobicContact CD1-CB 4.09Å; L370-L393 HydrophobicContact CD1-CD1 4.48Å; L370-L393 HydrophobicContact CD2-CD1 4.46Å; P371-L393 HydrophobicContact CG-CD1 4.48Å
394	V	91.2	Very high	93.4	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.085	19%	0.192	C	C	.	.	S	Bend	trans	-125.8	157.3	-176.2	-63.4	0	0	0	0	110.1	H344 T367 L370 H392 E398 I399	H344-V394 WeakPolarHBondContact CB-O 3.32Å; H344-V394 VanDerWaalsContact CG-C 3.5Å; T367-V394 HydrophobicContact CG2-CG2 4.07Å; T367-V394 WeakPolarHBondContact OG1-CG2 3.43Å; L370-V394 HydrophobicContact CD1-CG1 3.45Å; L370-V394 VanDerWaalsContact CD1-CG1 3.45Å; H392-V394 VanDerWaalsContact CD2-CG2 3.5Å; H392-V394 WeakPolarHBondContact CD2-CG2 3.38Å; V394-E398 HydrophobicContact CB-CB 3.83Å; V394-E398 HydrophobicContact CG2-CB 3.81Å; V394-I399 HydrophobicContact CG2-CG1 4.15Å
395	P	90.8	Very high	93.4	Very high	29 Å²	29	37.1 Å²	37.1	19%	0.188	19%	0.187	C	C	.	.			trans	-62.5	163	174.8	27.1	-35.7	0	0	0	111.4	H344 C397 E398 E426	H344-P395 WeakPolarHBondContact ND1-CA 3.34Å; P395-C397 PolarHBondContact O-N 2.81Å; P395-C397 VanDerWaalsContact O-N 3.12Å; P395-E398 HydrophobicContact CG-CB 4.4Å; P395-E398 HydrophobicContact CG-CG 4.09Å; P395-E398 PolarHBondContact O-N 3.43Å; P395-E426 WeakPolarHBondContact CA-OE2 3.31Å; P395-E426 WeakPolarHBondContact CB-OE2 3.45Å
396	L	90.1	Very high	93.1	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-52.7	-37.9	-178.4	-178.7	60.6	0	0	0	113	I346 E398 I399 I424 E426 V433 L436	I346-L396 HydrophobicContact CD1-CB 4.21Å; L396-E398 PolarHBondContact O-N 2.83Å; L396-I399 HydrophobicContact CD1-CD1 4.17Å; L396-I399 PolarHBondContact O-N 2.86Å; L396-I424 HydrophobicContact CD1-CB 4.49Å; L396-I424 HydrophobicContact CD1-CD1 3.31Å; L396-I424 HydrophobicContact CD1-CG1 3.81Å; L396-E426 HydrophobicContact CB-CB 3.91Å; L396-E426 HydrophobicContact CD2-CB 4.43Å; L396-E426 PolarHBondContact N-OE2 2.84Å; L396-V433 HydrophobicContact CD2-CG1 4.02Å; L396-L436 HydrophobicContact CD1-CD1 4.14Å; L396-L436 HydrophobicContact CD2-CD1 4.08Å; L396-L436 HydrophobicContact CD2-CG 4.46Å; L396-L436 HydrophobicContact CG-CD1 4.06Å
397	C	87.3	Confident	92.6	Very high	55 Å²	55	33.8 Å²	33.8	37%	0.372	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-58.9	-25.2	179	-64.9	0	0	0	0	114.2	P395 C457	P395-C397 PolarHBondContact O-N 2.81Å; P395-C397 VanDerWaalsContact O-N 3.12Å; C397-C457 HydrophobicContact CB-CB 3.7Å; C397-C457 WeakPolarHBondContact CB-SG 3.45Å; C397-C457 WeakPolarHBondContact SG-CB 3.4Å; C397-C457 CovalentContact SG-SG 2.02Å; C397-C457 PolarHBondContact SG-SG 3.47Å
398	E	90.4	Very high	91.4	Very high	110 Å²	110	28.7 Å²	28.7	51%	0.514	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-105.3	4.5	-175.7	-68.1	179.4	-146.5	0	0	112.5	T367 V394 P395 L396	T367-E398 VanDerWaalsContact CG2-O 3.3Å; T367-E398 WeakPolarHBondContact CG2-O 3.28Å; T367-E398 PolarHBondContact OG1-O 2.77Å; V394-E398 HydrophobicContact CB-CB 3.83Å; V394-E398 HydrophobicContact CG2-CB 3.81Å; P395-E398 HydrophobicContact CG-CB 4.4Å; P395-E398 HydrophobicContact CG-CG 4.09Å; P395-E398 PolarHBondContact O-N 3.43Å; L396-E398 PolarHBondContact O-N 2.83Å
399	I	92	Very high	89.7	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.015	16%	0.155	C	C	.	.			trans	-80.5	124.6	175.1	-56	-176.3	0	0	0	108.5	I346 L365 H392 V394 L396 F453	I346-I399 HydrophobicContact CD1-CD1 4.09Å; I346-I399 HydrophobicContact CG1-CD1 4Å; L365-I399 HydrophobicContact CB-CG2 4.31Å; L365-I399 HydrophobicContact CD1-CD1 4.28Å; H392-I399 HydrophobicContact CB-CD1 4.46Å; V394-I399 HydrophobicContact CG2-CG1 4.15Å; L396-I399 HydrophobicContact CD1-CD1 4.17Å; L396-I399 PolarHBondContact O-N 2.86Å; I399-F453 HydrophobicContact CB-CD2 4.36Å; I399-F453 HydrophobicContact CG2-CD2 4.04Å; I399-F453 HydrophobicContact CG2-CE2 4.05Å; I399-F453 WeakPolarHBondContact O-CB 3.49Å; I399-F453 WeakPolarHBondContact O-CD2 3.29Å
400	D	92.5	Very high	88	Confident	62 Å²	62	38 Å²	38	33%	0.332	20%	0.196	S	C	.	.			trans	-77	-41.1	-176.3	-66.9	-27.4	0	0	0	112.2	R366 T367 S368 D452 F453	R366-D400 WeakPolarHBondContact O-CB 3.36Å; R366-D400 PolarHBondContact O-N 2.85Å; T367-D400 WeakPolarHBondContact CA-OD2 3.37Å; S368-D400 WeakPolarHBondContact CA-OD2 3.44Å; S368-D400 VanDerWaalsContact CB-OD2 3.25Å; S368-D400 WeakPolarHBondContact CB-OD2 3.36Å; S368-D400 PolarHBondContact N-OD2 3.13Å; S368-D400 PolarHBondContact OG-OD2 3.04Å; D400-D452 CarbonylContact O-C 3.59Å; D400-D452 WeakPolarHBondContact O-CA 3.43Å; D400-F453 PolarHBondContact O-N 2.87Å
401	S	93.4	Very high	86.2	Confident	13 Å²	13	46.1 Å²	46.1	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.9	-175.2	58.7	0	0	0	0	113.9	R366 H451 D452	R366-S401 PolarHBondContact N-O 3.36Å; R366-S401 PolarHBondContact O-N 2.84Å; S401-H451 VanDerWaalsContact CA-O 3.22Å; S401-H451 WeakPolarHBondContact CA-O 3.49Å; S401-H451 VanDerWaalsContact CB-O 3.22Å; S401-H451 WeakPolarHBondContact CB-O 3.4Å; S401-D452 WeakPolarHBondContact CB-OD1 3.12Å
402	I	94.9	Very high	84.6	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.8	165.9	-175.6	163.7	0	0	0	110	V363 T364 L365 V422 I424 W449 N450 H451 F453	V363-I402 HydrophobicContact CG1-CD1 3.93Å; V363-I402 HydrophobicContact CG1-CG1 4.2Å; T364-I402 WeakPolarHBondContact O-CA 3.33Å; L365-I402 HydrophobicContact CD2-CB 4.17Å; L365-I402 HydrophobicContact CD2-CD1 4.06Å; L365-I402 HydrophobicContact CD2-CG1 4.03Å; I402-V422 HydrophobicContact CD1-CG1 4.07Å; I402-I424 HydrophobicContact CD1-CG2 3.86Å; I402-W449 HydrophobicContact CG2-CZ3 4.09Å; I402-N450 WeakPolarHBondContact O-CA 3.38Å; I402-H451 HydrophobicContact CG2-CB 4.08Å; I402-H451 PolarHBondContact N-O 3.27Å; I402-H451 PolarHBondContact O-N 2.71Å; I402-F453 HydrophobicContact CB-CE2 3.87Å; I402-F453 HydrophobicContact CB-CZ 3.69Å; I402-F453 HydrophobicContact CG2-CE1 4.14Å; I402-F453 HydrophobicContact CG2-CE2 3.96Å; I402-F453 HydrophobicContact CG2-CZ 3.35Å
403	Q	95.3	Very high	83.1	Confident	20 Å²	20	63.5 Å²	63.5	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.2	170.3	175.5	174.5	114.2	0	0	110.4	V363 T364 P448 W449 N450	V363-Q403 CarbonylContact C-O 3.42Å; V363-Q403 WeakPolarHBondContact CA-O 3.26Å; T364-Q403 PolarHBondContact N-O 3.07Å; T364-Q403 PolarHBondContact O-N 2.97Å; Q403-P448 HydrophobicContact CG-CB 3.86Å; Q403-W449 CarbonylContact C-O 3.53Å; Q403-W449 VanDerWaalsContact CA-O 3.28Å; Q403-W449 WeakPolarHBondContact CA-O 3.39Å; Q403-N450 WeakPolarHBondContact CB-OD1 3.35Å; Q403-N450 VanDerWaalsContact CD-OD1 3.31Å; Q403-N450 WeakPolarHBondContact CG-OD1 3.47Å; Q403-N450 PolarHBondContact NE2-OD1 3.33Å
404	L	95.1	Very high	82.1	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.9	170.8	-68.2	170.6	0	0	0	109.8	L350 V361 Q362 V363 V422 I443 P448 W449	L350-L404 HydrophobicContact CD2-CD2 4.23Å; V361-L404 HydrophobicContact CG1-CD2 3.93Å; Q362-L404 CarbonylContact O-C 3.44Å; Q362-L404 WeakPolarHBondContact O-CA 3.33Å; V363-L404 HydrophobicContact CB-CD2 4.25Å; V363-L404 HydrophobicContact CG1-CD2 4.33Å; V363-L404 HydrophobicContact CG2-CD2 3.67Å; L404-V422 HydrophobicContact CD1-CB 4.37Å; L404-V422 HydrophobicContact CD1-CG1 4.03Å; L404-V422 HydrophobicContact CD1-CG2 3.55Å; L404-I443 HydrophobicContact CB-CD1 3.19Å; L404-I443 HydrophobicContact CD1-CD1 3.89Å; L404-I443 HydrophobicContact CG-CD1 4.18Å; L404-P448 CarbonylContact O-C 3.53Å; L404-P448 WeakPolarHBondContact O-CA 3.42Å; L404-W449 HydrophobicContact CB-CE3 4.15Å; L404-W449 HydrophobicContact CD1-CE3 3.79Å; L404-W449 HydrophobicContact CD1-CZ3 3.91Å; L404-W449 HydrophobicContact CG-CE3 4.09Å; L404-W449 HydrophobicContact CG-CZ3 4.35Å; L404-W449 PolarHBondContact N-O 3.44Å; L404-W449 PolarHBondContact O-N 3.14Å
405	K	93	Very high	81.3	Confident	77 Å²	77	62.6 Å²	62.6	34%	0.335	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.7	179.5	-176.3	179.1	-178.4	177.8	0	110.5	V361 Q362 T407 P448	V361-K405 WeakPolarHBondContact CA-O 3.49Å; Q362-K405 HydrophobicContact CB-CB 4.34Å; Q362-K405 PolarHBondContact N-O 3.36Å; Q362-K405 PolarHBondContact O-N 3.12Å; K405-T407 HydrophobicContact CG-CG2 4.38Å; K405-T407 PolarHBondContact O-N 3.12Å; K405-T407 VanDerWaalsContact O-N 3.13Å; K405-P448 HydrophobicContact CB-CB 4.36Å
406	N	90.4	Very high	81.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	103.2	167.5	176.5	-12.7	0	0	0	108.8	G408 Q414 G415 I417 I443 G446	N406-G408 PolarHBondContact OD1-N 3.03Å; N406-Q414 PolarHBondContact ND2-NE2 2.6Å; N406-Q414 VanDerWaalsContact OD1-CD 3.3Å; N406-Q414 PolarHBondContact OD1-NE2 2.8Å; N406-G415 PolarHBondContact ND2-O 2.48Å; N406-G415 VanDerWaalsContact ND2-O 3.11Å; N406-I417 HydrophobicContact CB-CD1 3.98Å; N406-I443 HydrophobicContact CB-CG2 3.83Å; N406-G446 PolarHBondContact O-N 3.29Å; N406-G446 VanDerWaalsContact O-N 3.14Å
407	T	85	Confident	81.2	Confident	33 Å²	33	64.7 Å²	64.7	20%	0.202	31%	0.308	C	S	.	.			trans	-82.5	-23.5	-175.9	52.5	0	0	0	0	112.3	E360 Q362 K405	E360-T407 WeakPolarHBondContact CB-OG1 3.22Å; E360-T407 WeakPolarHBondContact CG-OG1 3.47Å; E360-T407 PolarHBondContact O-N 3.41Å; E360-T407 VanDerWaalsContact O-N 3.11Å; E360-T407 PolarHBondContact O-OG1 3.22Å; E360-T407 PolarHBondContact OE2-OG1 3.02Å; Q362-T407 HydrophobicContact CB-CG2 3.74Å; K405-T407 HydrophobicContact CG-CG2 4.38Å; K405-T407 PolarHBondContact O-N 3.12Å; K405-T407 VanDerWaalsContact O-N 3.13Å
408	G	71.3	Confident	81.5	Confident	8 Å²	8	66.3 Å²	66.3	8%	0.082	31%	0.31	C	S	.	.			trans	78	140	-177.9	0	0	0	0	0	112.8	N406 R410	N406-G408 PolarHBondContact OD1-N 3.03Å; G408-R410 PolarHBondContact O-N 3.49Å
409	A	60.4	Low	81.7	Confident	33 Å²	33	61.2 Å²	61.2	27%	0.273	29%	0.286	S	S	.	.			trans	-62.1	133.2	163.5	0	0	0	0	0	110.1	F411 Y412	A409-F411 PolarHBondContact O-N 2.82Å; A409-Y412 PolarHBondContact O-N 3.29Å
410	R	59.2	Low	81.9	Confident	230 Å²	230	64 Å²	64	87%	0.868	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.7	-171.3	-145.2	175	-169.2	172.6	2.3	114.7	G408	G408-R410 PolarHBondContact O-N 3.49Å
411	F	57.6	Low	82	Confident	179 Å²	179	61.4 Å²	61.4	79%	0.785	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-3.4	-173.3	-58.4	-72.2	0	0	0	115.8	A409	A409-F411 PolarHBondContact O-N 2.82Å
412	Y	60.6	Low	82.1	Confident	168 Å²	168	61 Å²	61	66%	0.659	29%	0.286	S	S	*	.	S	Bend	trans	-132.3	144.2	-178.4	-62.9	-77.6	0	0	0	112.5	A409 Q414	A409-Y412 PolarHBondContact O-N 3.29Å; Y412-Q414 PolarHBondContact O-N 3.26Å; Y412-Q414 VanDerWaalsContact O-N 3.13Å
413	R	63.4	Low	82	Confident	223 Å²	223	61.4 Å²	61.4	84%	0.842	29%	0.29	S	S	*	.			trans	-69.9	106.8	169.3	-116.4	-179.1	-178.7	166.1	0.2	108.1
414	Q	70.1	Confident	81.9	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.075	29%	0.286	C	S	.	.			trans	-79.4	137.5	172.4	-160.6	177.3	-51.5	0	0	109.4	A359 E360 N406 Y412	A359-Q414 VanDerWaalsContact CA-NE2 3.3Å; A359-Q414 VanDerWaalsContact CA-OE1 3.3Å; A359-Q414 HydrophobicContact CB-CG 4.08Å; E360-Q414 VanDerWaalsContact N-OE1 3.12Å; N406-Q414 PolarHBondContact ND2-NE2 2.6Å; N406-Q414 VanDerWaalsContact OD1-CD 3.3Å; N406-Q414 PolarHBondContact OD1-NE2 2.8Å; Y412-Q414 PolarHBondContact O-N 3.26Å; Y412-Q414 VanDerWaalsContact O-N 3.13Å
415	G	75.4	Confident	81.8	Confident	48 Å²	48	61.8 Å²	61.8	50%	0.495	29%	0.294	S	S	.	.			trans	-70.6	177	173.4	0	0	0	0	0	112.2	N406	N406-G415 PolarHBondContact ND2-O 2.48Å; N406-G415 VanDerWaalsContact ND2-O 3.11Å
416	D	86.8	Confident	81.7	Confident	77 Å²	77	60.1 Å²	60.1	41%	0.412	29%	0.287	S	S	.	.			trans	-63.4	147	170	-67.1	-8.8	0	0	0	109.5	R444	D416-R444 WeakPolarHBondContact OD1-CA 3.33Å; D416-R444 WeakPolarHBondContact OD1-CG 3.5Å; D416-R444 IonicContact OD2-NE 2.65Å
417	I	90.7	Very high	81.7	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127	178	-53.8	172	0	0	0	108.2	V352 L355 A359 V361 L379 N406 F419 I443	V352-I417 HydrophobicContact CG1-CG2 3.53Å; L355-I417 HydrophobicContact CD2-CG2 4.3Å; A359-I417 HydrophobicContact CB-CD1 4.07Å; A359-I417 HydrophobicContact CB-CG1 4.49Å; V361-I417 HydrophobicContact CG2-CD1 3.27Å; L379-I417 HydrophobicContact CD1-CD1 4.32Å; L379-I417 HydrophobicContact CD1-CG2 4.28Å; N406-I417 HydrophobicContact CB-CD1 3.98Å; I417-F419 HydrophobicContact CB-CD2 4.47Å; I417-F419 HydrophobicContact CB-CE2 3.87Å; I417-F419 HydrophobicContact CB-CZ 4.44Å; I417-F419 HydrophobicContact CG2-CD2 3.88Å; I417-F419 HydrophobicContact CG2-CE1 4.3Å; I417-F419 HydrophobicContact CG2-CE2 3.37Å; I417-F419 HydrophobicContact CG2-CZ 3.63Å; I417-I443 PolarHBondContact N-O 2.99Å; I417-I443 PolarHBondContact O-N 3.5Å
418	H	93.5	Very high	81.7	Confident	88 Å²	88	61 Å²	61	41%	0.407	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.3	178.5	-60	-66.4	0	0	0	109.7	S353 D442	S353-H418 WeakPolarHBondContact CB-O 3.34Å; S353-H418 PolarHBondContact N-O 2.84Å; S353-H418 PolarHBondContact OG-O 2.76Å; S353-H418 VanDerWaalsContact OG-O 3.13Å; H418-D442 IonicContact CE1-OD1 2.62Å; H418-D442 IonicContact CG-OD1 2.68Å; H418-D442 IonicContact ND1-OD1 3.72Å; H418-D442 PolarHBondContact ND1-OD1 2.88Å
419	F	94.6	Very high	81.4	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.7	174.8	-63.8	-94	0	0	0	110.2	L350 E351 V352 V361 I417 V422 K440 I441 I443	L350-F419 HydrophobicContact CB-CD1 4.17Å; L350-F419 HydrophobicContact CB-CE1 4.01Å; L350-F419 HydrophobicContact CD1-CE1 4.02Å; L350-F419 HydrophobicContact CD2-CE1 4.4Å; L350-F419 HydrophobicContact CG-CE1 4.37Å; E351-F419 CarbonylContact O-C 3.53Å; E351-F419 VanDerWaalsContact O-CA 3.32Å; E351-F419 WeakPolarHBondContact O-CA 3.38Å; V352-F419 HydrophobicContact CG2-CD1 3.68Å; V352-F419 HydrophobicContact CG2-CE1 3.69Å; V361-F419 HydrophobicContact CG1-CZ 4.1Å; V361-F419 HydrophobicContact CG2-CZ 4Å; I417-F419 HydrophobicContact CB-CD2 4.47Å; I417-F419 HydrophobicContact CB-CE2 3.87Å; I417-F419 HydrophobicContact CB-CZ 4.44Å; I417-F419 HydrophobicContact CG2-CD2 3.88Å; I417-F419 HydrophobicContact CG2-CE1 4.3Å; I417-F419 HydrophobicContact CG2-CE2 3.37Å; I417-F419 HydrophobicContact CG2-CZ 3.63Å; F419-V422 HydrophobicContact CB-CG2 4.1Å; F419-V422 HydrophobicContact CD1-CG2 4.03Å; F419-V422 HydrophobicContact CG-CG2 4.14Å; F419-K440 WeakPolarHBondContact O-CA 3.32Å; F419-K440 PolarHBondContact O-N 2.99Å; F419-I441 HydrophobicContact CB-CB 4.11Å; F419-I441 PolarHBondContact N-O 3.13Å; F419-I441 PolarHBondContact O-N 3.25Å; F419-I443 HydrophobicContact CD2-CD1 3.98Å; F419-I443 HydrophobicContact CD2-CG1 4.04Å; F419-I443 HydrophobicContact CE2-CB 4.32Å; F419-I443 HydrophobicContact CE2-CD1 3.5Å; F419-I443 HydrophobicContact CE2-CG1 3.83Å; F419-I443 HydrophobicContact CZ-CD1 4.36Å
420	V	96.2	Very high	81	Confident	61 Å²	61	69.7 Å²	69.7	37%	0.37	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-48	170.4	-179.6	0	0	0	0	109.1	E351 K439 K440	E351-V420 HydrophobicContact CB-CB 4.09Å; E351-V420 HydrophobicContact CG-CB 3.78Å; E351-V420 HydrophobicContact CG-CG1 4.24Å; E351-V420 HydrophobicContact CG-CG2 4.25Å; E351-V420 PolarHBondContact O-N 2.84Å; E351-V420 WeakPolarHBondContact OE2-CG1 2.95Å; V420-K439 VanDerWaalsContact O-CA 3.3Å; V420-K439 WeakPolarHBondContact O-CA 3.45Å; V420-K440 PolarHBondContact O-N 2.75Å
421	S	95.3	Very high	80.7	Confident	8 Å²	8	61.1 Å²	61.1	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.8	178	69	0	0	0	0	112.4	E351 V438	E351-S421 VanDerWaalsContact CB-OG 3.26Å; E351-S421 WeakPolarHBondContact CB-OG 3.23Å; E351-S421 PolarHBondContact N-O 2.79Å; E351-S421 PolarHBondContact O-N 2.84Å; E351-S421 PolarHBondContact OE2-OG 3.2Å; S421-V438 CarbonylContact C-O 3.26Å; S421-V438 WeakPolarHBondContact CA-O 2.93Å
422	V	95.3	Very high	80.4	Confident	4 Å²	4	62 Å²	62	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111.6	171.9	173.8	0	0	0	0	105.8	Q349 L350 I402 L404 F419 C437 V438 I441	Q349-V422 WeakPolarHBondContact O-CA 3.47Å; L350-V422 HydrophobicContact CD2-CB 4.25Å; L350-V422 HydrophobicContact CD2-CG1 3.78Å; L350-V422 HydrophobicContact CD2-CG2 3.9Å; I402-V422 HydrophobicContact CD1-CG1 4.07Å; L404-V422 HydrophobicContact CD1-CB 4.37Å; L404-V422 HydrophobicContact CD1-CG1 4.03Å; L404-V422 HydrophobicContact CD1-CG2 3.55Å; F419-V422 HydrophobicContact CB-CG2 4.1Å; F419-V422 HydrophobicContact CD1-CG2 4.03Å; F419-V422 HydrophobicContact CG-CG2 4.14Å; V422-C437 CarbonylContact O-C 3.56Å; V422-C437 VanDerWaalsContact O-CA 3.31Å; V422-C437 WeakPolarHBondContact O-CA 3.44Å; V422-V438 PolarHBondContact N-O 2.62Å; V422-V438 PolarHBondContact O-N 2.91Å; V422-I441 HydrophobicContact CB-CD1 3.81Å; V422-I441 HydrophobicContact CG2-CD1 3.47Å; V422-I441 VanDerWaalsContact CG2-CD1 3.47Å
423	C	93.4	Very high	80.2	Confident	13 Å²	13	57 Å²	57	9%	0.088	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.4	-177.7	-62	0	0	0	0	110.8	Q349 L436 C437	Q349-C423 HydrophobicContact CB-CB 4.32Å; Q349-C423 PolarHBondContact N-O 2.92Å; Q349-C423 PolarHBondContact O-N 3.37Å; C423-L436 CarbonylContact C-O 3.53Å; C423-L436 WeakPolarHBondContact CA-O 3.45Å; C423-C437 HydrophobicContact CB-CB 4.16Å; C423-C437 WeakPolarHBondContact CB-SG 3.44Å; C423-C437 WeakPolarHBondContact SG-CB 3.4Å; C423-C437 CovalentContact SG-SG 2.04Å; C423-C437 PolarHBondContact SG-SG 2.85Å
424	I	93.4	Very high	80.5	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.2	170.1	64.4	168.9	0	0	0	111.7	I346 L347 V348 L396 I402 S435 L436 F453	I346-I424 HydrophobicContact CG2-CB 4.29Å; L347-I424 CarbonylContact O-C 3.48Å; L347-I424 VanDerWaalsContact O-CA 3.24Å; L347-I424 WeakPolarHBondContact O-CA 3.43Å; V348-I424 HydrophobicContact CB-CG2 4.4Å; V348-I424 HydrophobicContact CG1-CG2 4.32Å; V348-I424 HydrophobicContact CG2-CG2 3.94Å; L396-I424 HydrophobicContact CD1-CB 4.49Å; L396-I424 HydrophobicContact CD1-CD1 3.31Å; L396-I424 HydrophobicContact CD1-CG1 3.81Å; I402-I424 HydrophobicContact CD1-CG2 3.86Å; I424-S435 CarbonylContact O-C 3.54Å; I424-S435 WeakPolarHBondContact O-CA 3.49Å; I424-L436 HydrophobicContact CD1-CD1 4.44Å; I424-L436 HydrophobicContact CG1-CB 3.92Å; I424-L436 HydrophobicContact CG1-CD1 4.31Å; I424-L436 PolarHBondContact N-O 2.8Å; I424-L436 PolarHBondContact O-N 2.84Å; I424-F453 HydrophobicContact CD1-CD2 4.46Å; I424-F453 HydrophobicContact CD1-CE1 3.78Å; I424-F453 HydrophobicContact CD1-CE2 3.52Å; I424-F453 HydrophobicContact CD1-CZ 3.12Å; I424-F453 HydrophobicContact CG1-CE1 4.31Å; I424-F453 HydrophobicContact CG1-CZ 4.01Å
425	S	92.2	Very high	81.1	Confident	24 Å²	24	56.5 Å²	56.5	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.3	176.5	61.4	0	0	0	0	110.8	I346 L347	I346-S425 CarbonylContact C-O 3.51Å; I346-S425 WeakPolarHBondContact CA-O 3.32Å; L347-S425 PolarHBondContact N-O 2.83Å; L347-S425 PolarHBondContact O-N 3.13Å
426	E	91.9	Very high	81.7	Confident	42 Å²	42	56.4 Å²	56.4	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.3	174.2	179.7	172.9	-177.8	0	0	111.2	H344 H345 I346 P395 L396	H344-E426 IonicContact CE1-OE1 2.83Å; H344-E426 IonicContact CG-OE1 3.17Å; H344-E426 IonicContact ND1-OE1 2.99Å; H344-E426 PolarHBondContact ND1-OE1 2.8Å; H345-E426 WeakPolarHBondContact O-CA 3.11Å; I346-E426 HydrophobicContact CD1-CB 3.96Å; I346-E426 HydrophobicContact CD1-CG 4.15Å; P395-E426 WeakPolarHBondContact CA-OE2 3.31Å; P395-E426 WeakPolarHBondContact CB-OE2 3.45Å; L396-E426 HydrophobicContact CB-CB 3.91Å; L396-E426 HydrophobicContact CD2-CB 4.43Å; L396-E426 PolarHBondContact N-OE2 2.84Å
427	F	90.1	Very high	81.9	Confident	8 Å²	8	55.4 Å²	55.4	4%	0.035	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160.7	176.7	72.6	-84.7	0	0	0	111.9	I285 F293 L299 H345 L347 V389	I285-F427 HydrophobicContact CG1-CD2 4.49Å; I285-F427 HydrophobicContact CG1-CE2 4.22Å; F293-F427 HydrophobicContact CE2-CE2 4.12Å; F293-F427 HydrophobicContact CE2-CZ 4.26Å; L299-F427 HydrophobicContact CB-CB 4.39Å; L299-F427 HydrophobicContact CB-CD2 4.26Å; L299-F427 HydrophobicContact CB-CG 4.33Å; L299-F427 HydrophobicContact CD2-CD1 3.83Å; L299-F427 HydrophobicContact CD2-CD2 4.02Å; L299-F427 HydrophobicContact CD2-CE1 3.89Å; L299-F427 HydrophobicContact CD2-CE2 4.06Å; L299-F427 HydrophobicContact CD2-CG 3.89Å; L299-F427 HydrophobicContact CD2-CZ 4Å; H345-F427 HydrophobicContact CB-CD1 4.08Å; H345-F427 HydrophobicContact CB-CD2 4.37Å; H345-F427 HydrophobicContact CB-CE1 3.64Å; H345-F427 HydrophobicContact CB-CE2 3.98Å; H345-F427 HydrophobicContact CB-CG 4.43Å; H345-F427 HydrophobicContact CB-CZ 3.59Å; H345-F427 VanDerWaalsContact O-CD1 3.29Å; H345-F427 WeakPolarHBondContact O-CD1 3.4Å; H345-F427 PolarHBondContact O-N 2.88Å; H345-F427 VanDerWaalsContact O-N 3.09Å; L347-F427 HydrophobicContact CB-CD1 4.12Å; L347-F427 HydrophobicContact CB-CE1 4.05Å; V389-F427 HydrophobicContact CB-CE1 4.33Å; V389-F427 HydrophobicContact CB-CZ 4.15Å; V389-F427 HydrophobicContact CG1-CE1 3.79Å; V389-F427 HydrophobicContact CG1-CZ 3.52Å; V389-F427 HydrophobicContact CG2-CE1 3.71Å; V389-F427 HydrophobicContact CG2-CZ 3.49Å; V389-F427 VanDerWaalsContact CG2-CZ 3.49Å
428	P	83.8	Confident	81.9	Confident	43 Å²	43	57 Å²	57	28%	0.279	33%	0.331	S	S	.	.	S	Bend	cis	-67.6	131.6	-5.9	30.2	-31.5	0	0	0	110.2	T283 I285 V430	T283-P428 HydrophobicContact CG2-CG 4.24Å; I285-P428 HydrophobicContact CD1-CB 4.03Å; I285-P428 HydrophobicContact CD1-CG 3.86Å; P428-V430 PolarHBondContact O-N 3.1Å
429	S	65.3	Low	81.9	Confident	75 Å²	75	60 Å²	60	52%	0.524	34%	0.343	S	S	.	.			trans	-75	120.6	-172.4	62.2	0	0	0	0	110.8	G431	S429-G431 VanDerWaalsContact C-N 3.29Å; S429-G431 VanDerWaalsContact CB-O 3.31Å; S429-G431 WeakPolarHBondContact CB-O 3.31Å; S429-G431 PolarHBondContact O-N 3.01Å; S429-G431 PolarHBondContact OG-O 2.83Å
430	V	53.5	Low	81.7	Confident	150 Å²	150	68.9 Å²	68.9	91%	0.909	38%	0.382	S	S	*	.	S	Bend	trans	-86.9	76.4	165.5	-173.3	0	0	0	0	106.9	P428	P428-V430 PolarHBondContact O-N 3.1Å
431	G	52.8	Low	81.5	Confident	50 Å²	50	66.1 Å²	66.1	52%	0.515	37%	0.365	S	S	.	.	S	Bend	trans	114.5	-171.7	-176.1	0	0	0	0	0	114.6	S429 V433	S429-G431 VanDerWaalsContact C-N 3.29Å; S429-G431 VanDerWaalsContact CB-O 3.31Å; S429-G431 WeakPolarHBondContact CB-O 3.31Å; S429-G431 PolarHBondContact O-N 3.01Å; S429-G431 PolarHBondContact OG-O 2.83Å; G431-V433 PolarHBondContact O-N 2.68Å
432	E	49.5	Very low	81.2	Confident	196 Å²	196	70.7 Å²	70.7	92%	0.916	39%	0.388	S	S	*	.			trans	-85.9	76.1	175.9	-71.4	-175.2	165.2	0	0	110.4	E434	E432-E434 PolarHBondContact O-N 2.7Å
433	V	56.8	Low	81	Confident	65 Å²	65	70.5 Å²	70.5	39%	0.394	39%	0.388	S	S	.	.			trans	-79.5	102.7	164.7	-177.7	0	0	0	0	107.2	L396 G431	L396-V433 HydrophobicContact CD2-CG1 4.02Å; G431-V433 PolarHBondContact O-N 2.68Å
434	E	69.8	Low	80.6	Confident	162 Å²	162	78 Å²	78	76%	0.757	41%	0.414	S	S	*	.			trans	-60.8	139.8	176.7	-75.8	-167	157.6	0	0	111.1	E432 L436	E432-E434 PolarHBondContact O-N 2.7Å; E434-L436 PolarHBondContact O-N 3.13Å
435	S	82.6	Confident	80	Confident	66 Å²	66	83.2 Å²	83.2	46%	0.462	43%	0.433	S	S	.	.			trans	-66.1	131.5	173.4	59.9	0	0	0	0	110.8	I424 C437	I424-S435 CarbonylContact O-C 3.54Å; I424-S435 WeakPolarHBondContact O-CA 3.49Å; S435-C437 PolarHBondContact O-N 2.83Å
436	L	87.9	Confident	79.1	Confident	45 Å²	45	84.3 Å²	84.3	24%	0.236	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.1	178.3	-59.7	171.9	0	0	0	109.9	L396 C423 I424 E434 F453 L456	L396-L436 HydrophobicContact CD1-CD1 4.14Å; L396-L436 HydrophobicContact CD2-CD1 4.08Å; L396-L436 HydrophobicContact CD2-CG 4.46Å; L396-L436 HydrophobicContact CG-CD1 4.06Å; C423-L436 CarbonylContact C-O 3.53Å; C423-L436 WeakPolarHBondContact CA-O 3.45Å; I424-L436 HydrophobicContact CD1-CD1 4.44Å; I424-L436 HydrophobicContact CG1-CB 3.92Å; I424-L436 HydrophobicContact CG1-CD1 4.31Å; I424-L436 PolarHBondContact N-O 2.8Å; I424-L436 PolarHBondContact O-N 2.84Å; E434-L436 PolarHBondContact O-N 3.13Å; L436-F453 HydrophobicContact CB-CE1 4.48Å; L436-F453 HydrophobicContact CD1-CD1 4.13Å; L436-F453 HydrophobicContact CD1-CE1 4.31Å; L436-L456 HydrophobicContact CD1-CD1 3.28Å; L436-L456 HydrophobicContact CD1-CD2 3.51Å; L436-L456 HydrophobicContact CD1-CG 3.92Å; L436-L456 HydrophobicContact CD2-CD2 3.67Å; L436-L456 HydrophobicContact CG-CD2 4.23Å
437	C	90.7	Very high	78.7	Confident	57 Å²	57	85.5 Å²	85.5	39%	0.385	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.8	-174	-65.5	0	0	0	0	112.6	V422 C423 S435	V422-C437 CarbonylContact O-C 3.56Å; V422-C437 VanDerWaalsContact O-CA 3.31Å; V422-C437 WeakPolarHBondContact O-CA 3.44Å; C423-C437 HydrophobicContact CB-CB 4.16Å; C423-C437 WeakPolarHBondContact CB-SG 3.44Å; C423-C437 WeakPolarHBondContact SG-CB 3.4Å; C423-C437 CovalentContact SG-SG 2.04Å; C423-C437 PolarHBondContact SG-SG 2.85Å; S435-C437 PolarHBondContact O-N 2.83Å
438	V	92.2	Very high	78.7	Confident	33 Å²	33	88 Å²	88	20%	0.2	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	168.7	-171.4	0	0	0	0	109.1	S421 V422 I441 W449 H451	S421-V438 CarbonylContact C-O 3.26Å; S421-V438 WeakPolarHBondContact CA-O 2.93Å; V422-V438 PolarHBondContact N-O 2.62Å; V422-V438 PolarHBondContact O-N 2.91Å; V438-I441 HydrophobicContact CB-CD1 3.95Å; V438-I441 HydrophobicContact CG1-CD1 3.9Å; V438-I441 HydrophobicContact CG1-CG1 4.11Å; V438-W449 HydrophobicContact CB-CH2 4.01Å; V438-W449 HydrophobicContact CB-CZ2 4.27Å; V438-W449 HydrophobicContact CG1-CH2 4.01Å; V438-W449 HydrophobicContact CG1-CZ2 3.74Å; V438-W449 HydrophobicContact CG2-CH2 4.25Å; V438-H451 WeakPolarHBondContact CG2-NE2 3.31Å
439	K	93.3	Very high	79.1	Confident	152 Å²	152	88.5 Å²	88.5	66%	0.661	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	157.2	-172.7	-62.4	-177.6	-178.6	178.4	0	111.6	V420	V420-K439 VanDerWaalsContact O-CA 3.3Å; V420-K439 WeakPolarHBondContact O-CA 3.45Å
440	K	90.6	Very high	80.4	Confident	189 Å²	189	88.7 Å²	88.7	82%	0.822	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.2	65	173.6	-56	-179.6	-179.7	180	0	112.5	F419 V420	F419-K440 WeakPolarHBondContact O-CA 3.32Å; F419-K440 PolarHBondContact O-N 2.99Å; V420-K440 PolarHBondContact O-N 2.75Å
441	I	91.7	Very high	82.2	Confident	4 Å²	4	84.7 Å²	84.7	2%	0.021	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.2	-178	-59.2	154	0	0	0	109.3	F419 V422 V438 I443 W449	F419-I441 HydrophobicContact CB-CB 4.11Å; F419-I441 PolarHBondContact N-O 3.13Å; F419-I441 PolarHBondContact O-N 3.25Å; V422-I441 HydrophobicContact CB-CD1 3.81Å; V422-I441 HydrophobicContact CG2-CD1 3.47Å; V422-I441 VanDerWaalsContact CG2-CD1 3.47Å; V438-I441 HydrophobicContact CB-CD1 3.95Å; V438-I441 HydrophobicContact CG1-CD1 3.9Å; V438-I441 HydrophobicContact CG1-CG1 4.11Å; I441-I443 HydrophobicContact CG2-CD1 4.16Å; I441-I443 HydrophobicContact CG2-CG1 3.86Å; I441-W449 HydrophobicContact CD1-CD2 4.47Å; I441-W449 HydrophobicContact CD1-CE3 4.43Å; I441-W449 HydrophobicContact CD1-CH2 3.41Å; I441-W449 VanDerWaalsContact CD1-CH2 3.41Å; I441-W449 HydrophobicContact CD1-CZ2 3.49Å; I441-W449 VanDerWaalsContact CD1-CZ2 3.49Å; I441-W449 HydrophobicContact CD1-CZ3 3.93Å; I441-W449 HydrophobicContact CG1-CD2 4.45Å; I441-W449 HydrophobicContact CG1-CH2 4.09Å; I441-W449 HydrophobicContact CG1-CZ2 3.61Å; I441-W449 HydrophobicContact CG2-CB 4.23Å; I441-W449 HydrophobicContact CG2-CD2 3.51Å; I441-W449 HydrophobicContact CG2-CE3 4.11Å; I441-W449 HydrophobicContact CG2-CG 3.55Å; I441-W449 HydrophobicContact CG2-CZ2 4.24Å
442	D	89.4	Confident	83.9	Confident	103 Å²	103	87.5 Å²	87.5	55%	0.551	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	178.1	-61	-41.5	0	0	0	110.2	H418	H418-D442 IonicContact CE1-OD1 2.62Å; H418-D442 IonicContact CG-OD1 2.68Å; H418-D442 IonicContact ND1-OD1 3.72Å; H418-D442 PolarHBondContact ND1-OD1 2.88Å
443	I	89.7	Confident	85.5	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.3	-177.4	-50.3	-169.8	0	0	0	110.5	L404 N406 I417 F419 I441 S447 W449	L404-I443 HydrophobicContact CB-CD1 3.19Å; L404-I443 HydrophobicContact CD1-CD1 3.89Å; L404-I443 HydrophobicContact CG-CD1 4.18Å; N406-I443 HydrophobicContact CB-CG2 3.83Å; I417-I443 PolarHBondContact N-O 2.99Å; I417-I443 PolarHBondContact O-N 3.5Å; F419-I443 HydrophobicContact CD2-CD1 3.98Å; F419-I443 HydrophobicContact CD2-CG1 4.04Å; F419-I443 HydrophobicContact CE2-CB 4.32Å; F419-I443 HydrophobicContact CE2-CD1 3.5Å; F419-I443 HydrophobicContact CE2-CG1 3.83Å; F419-I443 HydrophobicContact CZ-CD1 4.36Å; I441-I443 HydrophobicContact CG2-CD1 4.16Å; I441-I443 HydrophobicContact CG2-CG1 3.86Å; I443-S447 WeakPolarHBondContact CG2-O 3.39Å; I443-W449 HydrophobicContact CD1-CB 3.84Å; I443-W449 HydrophobicContact CG1-CB 3.91Å
444	R	86.1	Confident	85.9	Confident	169 Å²	169	82.1 Å²	82.1	64%	0.638	42%	0.423	S	S	*	.			trans	-81.6	152.1	172.2	-56.5	-166.3	174.3	158.2	3.6	111	D416 G446 S447	D416-R444 WeakPolarHBondContact OD1-CA 3.33Å; D416-R444 WeakPolarHBondContact OD1-CG 3.5Å; D416-R444 IonicContact OD2-NE 2.65Å; R444-G446 PolarHBondContact O-N 3.27Å; R444-S447 PolarHBondContact O-N 3.11Å; R444-S447 VanDerWaalsContact O-N 3.13Å
445	R	81.1	Confident	85.4	Confident	113 Å²	113	83.2 Å²	83.2	43%	0.426	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.9	177.3	-173.2	-179.4	-179.7	-174.1	3.3	111.5	S447	R445-S447 PolarHBondContact O-N 3.11Å; R445-S447 VanDerWaalsContact O-N 3.1Å
446	G	72.2	Confident	84.2	Confident	47 Å²	47	82.6 Å²	82.6	49%	0.485	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	-6.6	176.9	0	0	0	0	0	115.7	N406 R444 P448	N406-G446 PolarHBondContact O-N 3.29Å; N406-G446 VanDerWaalsContact O-N 3.14Å; R444-G446 PolarHBondContact O-N 3.27Å; G446-P448 WeakPolarHBondContact O-CD 3.45Å
447	S	84.5	Confident	82.9	Confident	67 Å²	67	83.1 Å²	83.1	47%	0.469	43%	0.427	S	S	.	.			trans	-100	103.5	174.8	-58	0	0	0	0	108.6	I443 R444 R445	I443-S447 WeakPolarHBondContact CG2-O 3.39Å; R444-S447 PolarHBondContact O-N 3.11Å; R444-S447 VanDerWaalsContact O-N 3.13Å; R445-S447 PolarHBondContact O-N 3.11Å; R445-S447 VanDerWaalsContact O-N 3.1Å
448	P	88.3	Confident	81	Confident	62 Å²	62	83.8 Å²	83.8	40%	0.403	44%	0.443	S	S	.	.			trans	-68.1	144.1	179.6	28.5	-33	0	0	0	110.6	Q403 L404 K405 G446	Q403-P448 HydrophobicContact CG-CB 3.86Å; L404-P448 CarbonylContact O-C 3.53Å; L404-P448 WeakPolarHBondContact O-CA 3.42Å; K405-P448 HydrophobicContact CB-CB 4.36Å; G446-P448 WeakPolarHBondContact O-CD 3.45Å
449	W	93.1	Very high	78.4	Confident	53 Å²	53	90.1 Å²	90.1	20%	0.201	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.4	165.5	174	86	0	0	0	109	I402 Q403 L404 V438 I441 I443 H451	I402-W449 HydrophobicContact CG2-CZ3 4.09Å; Q403-W449 CarbonylContact C-O 3.53Å; Q403-W449 VanDerWaalsContact CA-O 3.28Å; Q403-W449 WeakPolarHBondContact CA-O 3.39Å; L404-W449 HydrophobicContact CB-CE3 4.15Å; L404-W449 HydrophobicContact CD1-CE3 3.79Å; L404-W449 HydrophobicContact CD1-CZ3 3.91Å; L404-W449 HydrophobicContact CG-CE3 4.09Å; L404-W449 HydrophobicContact CG-CZ3 4.35Å; L404-W449 PolarHBondContact N-O 3.44Å; L404-W449 PolarHBondContact O-N 3.14Å; V438-W449 HydrophobicContact CB-CH2 4.01Å; V438-W449 HydrophobicContact CB-CZ2 4.27Å; V438-W449 HydrophobicContact CG1-CH2 4.01Å; V438-W449 HydrophobicContact CG1-CZ2 3.74Å; V438-W449 HydrophobicContact CG2-CH2 4.25Å; I441-W449 HydrophobicContact CD1-CD2 4.47Å; I441-W449 HydrophobicContact CD1-CE3 4.43Å; I441-W449 HydrophobicContact CD1-CH2 3.41Å; I441-W449 VanDerWaalsContact CD1-CH2 3.41Å; I441-W449 HydrophobicContact CD1-CZ2 3.49Å; I441-W449 VanDerWaalsContact CD1-CZ2 3.49Å; I441-W449 HydrophobicContact CD1-CZ3 3.93Å; I441-W449 HydrophobicContact CG1-CD2 4.45Å; I441-W449 HydrophobicContact CG1-CH2 4.09Å; I441-W449 HydrophobicContact CG1-CZ2 3.61Å; I441-W449 HydrophobicContact CG2-CB 4.23Å; I441-W449 HydrophobicContact CG2-CD2 3.51Å; I441-W449 HydrophobicContact CG2-CE3 4.11Å; I441-W449 HydrophobicContact CG2-CG 3.55Å; I441-W449 HydrophobicContact CG2-CZ2 4.24Å; I443-W449 HydrophobicContact CD1-CB 3.84Å; I443-W449 HydrophobicContact CG1-CB 3.91Å; W449-H451 HydrophobicContact CH2-CB 3.31Å; W449-H451 HydrophobicContact CZ2-CB 3.59Å; W449-H451 HydrophobicContact CZ3-CB 3.9Å
450	N	91.9	Very high	75.8	Confident	78 Å²	78	94.1 Å²	94.1	42%	0.417	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.8	179.4	-61.2	-43.3	0	0	0	109.9	I402 Q403	I402-N450 WeakPolarHBondContact O-CA 3.38Å; Q403-N450 WeakPolarHBondContact CB-OD1 3.35Å; Q403-N450 VanDerWaalsContact CD-OD1 3.31Å; Q403-N450 WeakPolarHBondContact CG-OD1 3.47Å; Q403-N450 PolarHBondContact NE2-OD1 3.33Å
451	H	90.9	Very high	75	Confident	67 Å²	67	89.4 Å²	89.4	31%	0.31	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.1	167.1	-179	76.8	0	0	0	109.8	S401 I402 V438 W449 F453	S401-H451 VanDerWaalsContact CA-O 3.22Å; S401-H451 WeakPolarHBondContact CA-O 3.49Å; S401-H451 VanDerWaalsContact CB-O 3.22Å; S401-H451 WeakPolarHBondContact CB-O 3.4Å; I402-H451 HydrophobicContact CG2-CB 4.08Å; I402-H451 PolarHBondContact N-O 3.27Å; I402-H451 PolarHBondContact O-N 2.71Å; V438-H451 WeakPolarHBondContact CG2-NE2 3.31Å; W449-H451 HydrophobicContact CH2-CB 3.31Å; W449-H451 HydrophobicContact CZ2-CB 3.59Å; W449-H451 HydrophobicContact CZ3-CB 3.9Å; H451-F453 AromaticContact CD2-CD1 3.89Å; H451-F453 AromaticContact CD2-CE1 3.77Å
452	D	88.9	Confident	74.1	Confident	109 Å²	109	93.8 Å²	93.8	58%	0.583	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	131	176.7	-57.8	-28	0	0	0	109.1	D400 S401 V454	D400-D452 CarbonylContact O-C 3.59Å; D400-D452 WeakPolarHBondContact O-CA 3.43Å; S401-D452 WeakPolarHBondContact CB-OD1 3.12Å; D452-V454 PolarHBondContact O-N 3.13Å
453	F	83.1	Confident	73.3	Confident	20 Å²	20	93.3 Å²	93.3	9%	0.088	51%	0.511	C	S	.	.			trans	-84.4	100.2	174.9	-63.1	-55.4	0	0	0	108.8	I399 D400 I402 I424 L436 H451 Q455 L456	I399-F453 HydrophobicContact CB-CD2 4.36Å; I399-F453 HydrophobicContact CG2-CD2 4.04Å; I399-F453 HydrophobicContact CG2-CE2 4.05Å; I399-F453 WeakPolarHBondContact O-CB 3.49Å; I399-F453 WeakPolarHBondContact O-CD2 3.29Å; D400-F453 PolarHBondContact O-N 2.87Å; I402-F453 HydrophobicContact CB-CE2 3.87Å; I402-F453 HydrophobicContact CB-CZ 3.69Å; I402-F453 HydrophobicContact CG2-CE1 4.14Å; I402-F453 HydrophobicContact CG2-CE2 3.96Å; I402-F453 HydrophobicContact CG2-CZ 3.35Å; I424-F453 HydrophobicContact CD1-CD2 4.46Å; I424-F453 HydrophobicContact CD1-CE1 3.78Å; I424-F453 HydrophobicContact CD1-CE2 3.52Å; I424-F453 HydrophobicContact CD1-CZ 3.12Å; I424-F453 HydrophobicContact CG1-CE1 4.31Å; I424-F453 HydrophobicContact CG1-CZ 4.01Å; L436-F453 HydrophobicContact CB-CE1 4.48Å; L436-F453 HydrophobicContact CD1-CD1 4.13Å; L436-F453 HydrophobicContact CD1-CE1 4.31Å; H451-F453 AromaticContact CD2-CD1 3.89Å; H451-F453 AromaticContact CD2-CE1 3.77Å; F453-Q455 PolarHBondContact O-N 2.84Å; F453-L456 HydrophobicContact CB-CD1 3.49Å; F453-L456 VanDerWaalsContact CB-CD1 3.49Å; F453-L456 HydrophobicContact CB-CD2 4.05Å; F453-L456 HydrophobicContact CB-CG 3.82Å; F453-L456 HydrophobicContact CD1-CD1 4.22Å; F453-L456 HydrophobicContact CD1-CD2 4.34Å; F453-L456 HydrophobicContact CG-CD1 3.84Å
454	V	66	Low	72.3	Confident	127 Å²	127	98.8 Å²	98.8	77%	0.77	54%	0.54	S	S	*	.			trans	-77.7	114.1	176.9	-178.3	0	0	0	0	109	D452 L456	D452-V454 PolarHBondContact O-N 3.13Å; V454-L456 PolarHBondContact O-N 3.17Å
455	Q	60	Low	71.5	Confident	185 Å²	185	94.4 Å²	94.4	86%	0.864	53%	0.534	S	S	*	.			trans	26.6	81.5	171.4	-102.9	-177.6	-24.5	0	0	114.1	F453	F453-Q455 PolarHBondContact O-N 2.84Å
456	L	57.2	Low	70.8	Confident	53 Å²	53	93.1 Å²	93.1	28%	0.277	54%	0.542	S	S	.	.			trans	-79.1	-19.7	-168.2	-65.2	168.7	0	0	0	114.7	L436 F453 V454	L436-L456 HydrophobicContact CD1-CD1 3.28Å; L436-L456 HydrophobicContact CD1-CD2 3.51Å; L436-L456 HydrophobicContact CD1-CG 3.92Å; L436-L456 HydrophobicContact CD2-CD2 3.67Å; L436-L456 HydrophobicContact CG-CD2 4.23Å; F453-L456 HydrophobicContact CB-CD1 3.49Å; F453-L456 VanDerWaalsContact CB-CD1 3.49Å; F453-L456 HydrophobicContact CB-CD2 4.05Å; F453-L456 HydrophobicContact CB-CG 3.82Å; F453-L456 HydrophobicContact CD1-CD1 4.22Å; F453-L456 HydrophobicContact CD1-CD2 4.34Å; F453-L456 HydrophobicContact CG-CD1 3.84Å; V454-L456 PolarHBondContact O-N 3.17Å
457	C	59.5	Low	70.7	Confident	57 Å²	57	96.4 Å²	96.4	39%	0.385	55%	0.546	S	S	.	.	S	Bend	trans	-127.6	121.9	-172.3	-58.5	0	0	0	0	108.8	C397	C397-C457 HydrophobicContact CB-CB 3.7Å; C397-C457 WeakPolarHBondContact CB-SG 3.45Å; C397-C457 WeakPolarHBondContact SG-CB 3.4Å; C397-C457 CovalentContact SG-SG 2.02Å; C397-C457 PolarHBondContact SG-SG 3.47Å
458	G	51.2	Low	69.7	Low	70 Å²	70	98.7 Å²	98.7	72%	0.722	55%	0.551	S	S	*	*			trans	-62	144.8	171.9	0	0	0	0	0	109.9	D460	G458-D460 VanDerWaalsContact C-N 3.33Å; G458-D460 PolarHBondContact O-N 3.42Å
459	N	38.6	Very low	68.1	Low	166 Å²	166	101.8 Å²	101.8	89%	0.888	56%	0.564	S	S	*	*			trans	-69.7	94.6	166	-71.9	-22.6	0	0	0	107.6
460	D	37	Very low	65.8	Low	236 Å²	236	106.2 Å²	106.2	100%	1.262	60%	0.597	S	S	*	*			trans	-87.6	0	162.6	-81.1	-17.6	0	0	0	110.8	G458	G458-D460 VanDerWaalsContact C-N 3.33Å; G458-D460 PolarHBondContact O-N 3.42Å

Retrieved 460 of 460 residues in 1222.3 ms (Link to these results)

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