A0A087YD95_POEFO Loading...

S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1

Probable component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at the 3'-position adjacent to the anticodon of eukaryotic phenylalanine tRNA. Catalyzes the condensation of N-methylguanine with 2 carbon atoms from pyruvate to form the tricyclic 4-demethylwyosine, an intermediate in wybutosine biosynthesis.

AlphaFold DB , UniProt , Accession A0A087YD95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 747 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	32.3	Very low	223 Å²	223	158.4 Å²	158.4	100%	1.099	83%	0.834	S	S	*	*				0	114.4	0	-73.1	-174.6	-81.2	0	0	107.8
2	L	34.7	Very low	32.3	Very low	183 Å²	183	157.3 Å²	157.3	96%	0.958	84%	0.839	S	S	*	*			trans	-130.1	27.8	-179.2	-145.5	124.3	0	0	0	111
3	A	33	Very low	31.8	Very low	87 Å²	87	151.3 Å²	151.3	72%	0.719	84%	0.838	S	S	*	*	S	Bend	trans	-145.6	39	-168.2	0	0	0	0	0	111.5
4	L	29.9	Very low	31.6	Very low	142 Å²	142	147.9 Å²	147.9	74%	0.743	83%	0.83	S	S	*	*	S	Bend	trans	-136.1	10.5	-179.9	-141.8	83.7	0	0	0	113.5
5	F	32.3	Very low	31.4	Very low	204 Å²	204	149.5 Å²	149.5	90%	0.895	83%	0.834	S	S	*	*	S	Bend	trans	-105.4	7.6	-168.5	-113.6	-78.2	0	0	0	114.4
6	T	35.6	Very low	31.2	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	83%	0.831	S	S	*	*	S	Bend	trans	-125	12.8	-164.9	39.4	0	0	0	0	115
7	V	33.6	Very low	31.1	Very low	121 Å²	121	144.2 Å²	144.2	73%	0.733	83%	0.829	S	S	*	*	S	Bend	trans	-115.3	-19.5	-175.8	-176.3	0	0	0	0	113.5	S9	V7-S9 PolarHBondContact O-N 2.97Å
8	I	32.6	Very low	31	Very low	163 Å²	163	142.8 Å²	142.8	84%	0.836	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	59.3	-179.3	-45.2	-179.9	0	0	0	110.2
9	S	31.2	Very low	31	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.1	13.6	174.2	-56.5	0	0	0	0	113.2	V7	V7-S9 PolarHBondContact O-N 2.97Å
10	F	31.3	Very low	30.9	Very low	186 Å²	186	142.3 Å²	142.3	82%	0.816	83%	0.825	S	S	*	*	S	Bend	trans	-127.3	152.9	167.6	-85.7	-98.8	0	0	0	108.3
11	F	29.3	Very low	31	Very low	208 Å²	208	144.5 Å²	144.5	91%	0.912	83%	0.825	S	S	*	*			trans	75.4	50.9	-170.7	-63.5	-77.5	0	0	0	117.6
12	T	31.4	Very low	31.1	Very low	146 Å²	146	140.5 Å²	140.5	90%	0.896	81%	0.813	S	S	*	*			trans	-129.9	94.3	147.4	53.7	0	0	0	0	109.6
13	G	26	Very low	31.4	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	80%	0.803	S	S	*	*			trans	162.9	78.8	176.6	0	0	0	0	0	116.6
14	S	29.3	Very low	32	Very low	104 Å²	104	139 Å²	139	73%	0.727	81%	0.807	S	S	*	*			trans	-169.2	118.4	158.3	57.2	0	0	0	0	112.3
15	L	28.3	Very low	32.4	Very low	172 Å²	172	139.3 Å²	139.3	90%	0.901	81%	0.809	S	S	*	*			trans	62.8	157	164.8	-74.5	77	0	0	0	117.6
16	S	28.3	Very low	33.1	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	81%	0.805	S	S	*	*			cis	-158.7	143.6	-30.6	-174.1	0	0	0	0	110.3
17	A	29.3	Very low	33.6	Very low	96 Å²	96	136 Å²	136	79%	0.793	80%	0.796	S	S	*	*			trans	-56.8	151.2	-173.2	0	0	0	0	0	118.8
18	S	29.8	Very low	34.6	Very low	120 Å²	120	132 Å²	132	84%	0.839	77%	0.773	S	S	*	*			trans	-152.5	158.6	137.6	53.9	0	0	0	0	110.5
19	D	29.9	Very low	35.7	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	77%	0.77	S	S	*	*			trans	-54.8	160.4	-171.1	-71.7	-86.3	0	0	0	116.3
20	T	29	Very low	36.9	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	77%	0.765	S	S	*	*			cis	-154.4	165.6	41.6	-36.7	0	0	0	0	113.9
21	K	34.8	Very low	38	Very low	188 Å²	188	124.3 Å²	124.3	82%	0.817	74%	0.743	S	S	*	*			trans	-81.4	134.9	-173.9	-55.8	167.7	-177	169.6	0	115.1
22	V	33	Very low	39.4	Very low	139 Å²	139	119 Å²	119	84%	0.842	72%	0.723	S	S	*	*			trans	-143.4	141.7	144.3	-177.3	0	0	0	0	107.7
23	P	41.5	Very low	40.8	Very low	115 Å²	115	118.9 Å²	118.9	75%	0.747	71%	0.708	S	S	*	*			trans	-99.5	-171.9	-170.8	46.2	-40	0	0	0	111.7
24	P	46.4	Very low	42.5	Very low	123 Å²	123	120.2 Å²	120.2	80%	0.799	70%	0.696	S	S	*	*				-103.9	163.9	-127.5	41.4	-31.9	0	0	0	115.2
25	D	36.8	Very low	44.1	Very low	150 Å²	150	120.5 Å²	120.5	80%	0.802	69%	0.688	S	S	*	*			trans	-131	153.2	161.7	-150.6	-16.8	0	0	0	111.4
26	V	48.1	Very low	46.1	Very low	131 Å²	131	119.1 Å²	119.1	79%	0.794	67%	0.671	S	S	*	*			trans	-110.2	84.3	-159.9	-175.5	0	0	0	0	111
27	H	45.7	Very low	47.5	Very low	127 Å²	127	117.5 Å²	117.5	59%	0.588	65%	0.652	S	S	*	*			trans	-64.6	137.7	176.4	-76.6	-65.8	0	0	0	113	E31	H27-E31 IonicContact CE1-OE1 2.64Å; H27-E31 IonicContact ND1-OE1 3.24Å; H27-E31 PolarHBondContact ND1-OE1 2.77Å; H27-E31 IonicContact ND1-OE2 2.67Å
28	S	55.6	Low	49	Very low	36 Å²	36	121.1 Å²	121.1	25%	0.252	65%	0.645	S	S	.	*			trans	-68.2	157	-176.1	66.2	0	0	0	0	113	T30 E31 N32	S28-T30 WeakPolarHBondContact CB-OG1 3.29Å; S28-T30 PolarHBondContact O-N 3.27Å; S28-T30 VanDerWaalsContact O-N 3.16Å; S28-T30 PolarHBondContact OG-OG1 2.72Å; S28-E31 VanDerWaalsContact CB-OE2 3.28Å; S28-E31 WeakPolarHBondContact CB-OE2 3.28Å; S28-E31 PolarHBondContact N-OE2 3.49Å; S28-E31 PolarHBondContact O-N 3.18Å; S28-E31 VanDerWaalsContact O-N 3.12Å; S28-E31 WeakPolarHBondContact OG-CG 3.4Å; S28-E31 PolarHBondContact OG-N 3.28Å; S28-E31 PolarHBondContact OG-OE2 3.26Å; S28-N32 PolarHBondContact O-N 3.24Å; S28-N32 PolarHBondContact O-ND2 2.83Å
29	P	55.2	Low	50.7	Low	117 Å²	117	121 Å²	121	76%	0.76	64%	0.635	S	S	*	*	H	α-helix	trans	-56.2	-31.6	173.2	-25.9	35.4	0	0	0	113	Y33	P29-Y33 PolarHBondContact O-N 2.95Å
30	T	56.1	Low	52.2	Low	97 Å²	97	116.8 Å²	116.8	60%	0.595	61%	0.613	S	S	*	*	H	α-helix	trans	-65	-41.6	175.8	24.9	0	0	0	0	113.6	S28 Y33 L34	S28-T30 WeakPolarHBondContact CB-OG1 3.29Å; S28-T30 PolarHBondContact O-N 3.27Å; S28-T30 VanDerWaalsContact O-N 3.16Å; S28-T30 PolarHBondContact OG-OG1 2.72Å; T30-Y33 PolarHBondContact O-N 2.86Å; T30-L34 WeakPolarHBondContact O-CG 3.3Å; T30-L34 PolarHBondContact O-N 3.12Å; T30-L34 VanDerWaalsContact O-N 3.1Å
31	E	53.4	Low	54.1	Low	76 Å²	76	115 Å²	115	36%	0.355	59%	0.591	S	S	.	*	H	α-helix	trans	-69.3	-41.8	178.7	-72.9	160.7	104.4	0	0	111.6	H27 S28 Y33 L34 L35	H27-E31 IonicContact CE1-OE1 2.64Å; H27-E31 IonicContact ND1-OE1 3.24Å; H27-E31 PolarHBondContact ND1-OE1 2.77Å; H27-E31 IonicContact ND1-OE2 2.67Å; S28-E31 VanDerWaalsContact CB-OE2 3.28Å; S28-E31 WeakPolarHBondContact CB-OE2 3.28Å; S28-E31 PolarHBondContact N-OE2 3.49Å; S28-E31 PolarHBondContact O-N 3.18Å; S28-E31 VanDerWaalsContact O-N 3.12Å; S28-E31 WeakPolarHBondContact OG-CG 3.4Å; S28-E31 PolarHBondContact OG-N 3.28Å; S28-E31 PolarHBondContact OG-OE2 3.26Å; E31-Y33 VanDerWaalsContact C-N 3.29Å; E31-Y33 PolarHBondContact O-N 3.03Å; E31-L34 PolarHBondContact O-N 3.19Å; E31-L34 VanDerWaalsContact O-N 3.11Å; E31-L35 VanDerWaalsContact O-CD1 3.3Å; E31-L35 WeakPolarHBondContact O-CD1 3.38Å; E31-L35 PolarHBondContact O-N 3.25Å
32	N	59.7	Low	55.7	Low	95 Å²	95	112.1 Å²	112.1	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-38.4	175.4	-76.1	-62.9	0	0	0	112.2	S28 W36	S28-N32 PolarHBondContact O-N 3.24Å; S28-N32 PolarHBondContact O-ND2 2.83Å; N32-W36 WeakPolarHBondContact O-CB 3.37Å; N32-W36 PolarHBondContact O-N 3.06Å
33	Y	61	Low	57.6	Low	145 Å²	145	113.8 Å²	113.8	57%	0.569	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-37.5	174.7	-162	-93.1	0	0	0	112.5	P29 T30 E31 W36 M37	P29-Y33 PolarHBondContact O-N 2.95Å; T30-Y33 PolarHBondContact O-N 2.86Å; E31-Y33 VanDerWaalsContact C-N 3.29Å; E31-Y33 PolarHBondContact O-N 3.03Å; Y33-W36 PolarHBondContact O-N 3.19Å; Y33-M37 HydrophobicContact CD1-CE 4.46Å; Y33-M37 HydrophobicContact CD1-CG 4.29Å; Y33-M37 HydrophobicContact CE1-CE 4.28Å; Y33-M37 HydrophobicContact CE1-CG 4.06Å; Y33-M37 HydrophobicContact CE1-SD 4Å; Y33-M37 PolarHBondContact O-N 2.71Å
34	L	61.4	Low	59.1	Low	107 Å²	107	111.7 Å²	111.7	56%	0.56	56%	0.561	S	S	*	*	H	α-helix	trans	-68.9	-41.4	175.8	-71.4	168.9	0	0	0	112.3	T30 E31 W36 M37 W38	T30-L34 WeakPolarHBondContact O-CG 3.3Å; T30-L34 PolarHBondContact O-N 3.12Å; T30-L34 VanDerWaalsContact O-N 3.1Å; E31-L34 PolarHBondContact O-N 3.19Å; E31-L34 VanDerWaalsContact O-N 3.11Å; L34-W36 VanDerWaalsContact C-N 3.35Å; L34-M37 HydrophobicContact CD2-CE 4.39Å; L34-M37 PolarHBondContact O-N 3.46Å; L34-W38 WeakPolarHBondContact O-CB 3.43Å; L34-W38 PolarHBondContact O-N 3.24Å
35	L	61.6	Low	60.4	Low	109 Å²	109	113 Å²	113	57%	0.571	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-39.8	171.7	-92.4	83.9	0	0	0	111.8	E31 W38 N39	E31-L35 VanDerWaalsContact O-CD1 3.3Å; E31-L35 WeakPolarHBondContact O-CD1 3.38Å; E31-L35 PolarHBondContact O-N 3.25Å; L35-W38 PolarHBondContact O-N 3.38Å; L35-N39 PolarHBondContact O-N 2.82Å
36	W	72.1	Confident	62.2	Low	144 Å²	144	109.1 Å²	109.1	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-44.3	176.4	-178.4	86.9	0	0	0	112	N32 Y33 L34 N40	N32-W36 WeakPolarHBondContact O-CB 3.37Å; N32-W36 PolarHBondContact O-N 3.06Å; Y33-W36 PolarHBondContact O-N 3.19Å; L34-W36 VanDerWaalsContact C-N 3.35Å; W36-N40 PolarHBondContact NE1-ND2 3.12Å; W36-N40 WeakPolarHBondContact O-CB 3.35Å; W36-N40 PolarHBondContact O-N 2.84Å; W36-N40 PolarHBondContact O-ND2 3.5Å
37	M	57	Low	63.6	Low	77 Å²	77	105.4 Å²	105.4	38%	0.379	52%	0.518	S	S	.	.	H	α-helix	trans	-66	-36.3	172.9	-72.1	-146.3	-61.2	0	0	112.5	Y33 L34 N40 R41	Y33-M37 HydrophobicContact CD1-CE 4.46Å; Y33-M37 HydrophobicContact CD1-CG 4.29Å; Y33-M37 HydrophobicContact CE1-CE 4.28Å; Y33-M37 HydrophobicContact CE1-CG 4.06Å; Y33-M37 HydrophobicContact CE1-SD 4Å; Y33-M37 PolarHBondContact O-N 2.71Å; L34-M37 HydrophobicContact CD2-CE 4.39Å; L34-M37 PolarHBondContact O-N 3.46Å; M37-N40 CarbonylContact O-C 3.54Å; M37-N40 PolarHBondContact O-N 2.98Å; M37-R41 WeakPolarHBondContact O-CA 3.45Å; M37-R41 PolarHBondContact O-N 2.9Å
38	W	61.2	Low	65	Low	172 Å²	172	101.4 Å²	101.4	65%	0.652	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-45.2	177.2	-173.1	-96	0	0	0	111.9	L34 L35 R41	L34-W38 WeakPolarHBondContact O-CB 3.43Å; L34-W38 PolarHBondContact O-N 3.24Å; L35-W38 PolarHBondContact O-N 3.38Å; W38-R41 WeakPolarHBondContact O-CB 3.48Å; W38-R41 WeakPolarHBondContact O-CD 3.39Å; W38-R41 WeakPolarHBondContact O-CG 3.44Å; W38-R41 PolarHBondContact O-N 2.73Å; W38-R41 PolarHBondContact O-NH1 3.22Å
39	N	64.3	Low	66.1	Low	118 Å²	118	102.7 Å²	102.7	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-68.5	-36.9	177.5	-77.6	-11.5	0	0	0	112.1	L35 R41	L35-N39 PolarHBondContact O-N 2.82Å; N39-R41 VanDerWaalsContact C-N 3.33Å; N39-R41 PolarHBondContact O-N 2.98Å
40	N	61.8	Low	67.4	Low	50 Å²	50	103.4 Å²	103.4	27%	0.267	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	8.6	178.6	-67.7	-76.3	0	0	0	114.6	W36 M37 L42 Y43 V44	W36-N40 PolarHBondContact NE1-ND2 3.12Å; W36-N40 WeakPolarHBondContact O-CB 3.35Å; W36-N40 PolarHBondContact O-N 2.84Å; W36-N40 PolarHBondContact O-ND2 3.5Å; M37-N40 CarbonylContact O-C 3.54Å; M37-N40 PolarHBondContact O-N 2.98Å; N40-L42 PolarHBondContact O-N 3.49Å; N40-Y43 PolarHBondContact O-N 3.41Å; N40-V44 PolarHBondContact O-N 3.25Å
41	R	69.5	Low	68.5	Low	99 Å²	99	104.6 Å²	104.6	37%	0.374	52%	0.519	S	S	.	.	H	α-helix	trans	-50.1	-36.9	-173.3	66.9	-170.7	177.7	-85.5	3.8	114.6	M37 W38 N39 Y43 V44 Y45	M37-R41 WeakPolarHBondContact O-CA 3.45Å; M37-R41 PolarHBondContact O-N 2.9Å; W38-R41 WeakPolarHBondContact O-CB 3.48Å; W38-R41 WeakPolarHBondContact O-CD 3.39Å; W38-R41 WeakPolarHBondContact O-CG 3.44Å; W38-R41 PolarHBondContact O-N 2.73Å; W38-R41 PolarHBondContact O-NH1 3.22Å; N39-R41 VanDerWaalsContact C-N 3.33Å; N39-R41 PolarHBondContact O-N 2.98Å; R41-Y43 PolarHBondContact O-N 3.48Å; R41-V44 PolarHBondContact O-N 3.08Å; R41-Y45 HydrophobicContact CB-CD2 4.39Å; R41-Y45 HydrophobicContact CB-CE2 3.84Å; R41-Y45 HydrophobicContact CG-CE2 4.17Å; R41-Y45 WeakPolarHBondContact O-CD2 3.21Å; R41-Y45 PolarHBondContact O-N 3.35Å
42	L	68.8	Low	69.7	Low	127 Å²	127	107 Å²	107	67%	0.665	53%	0.534	S	S	*	.	H	α-helix	trans	-61.6	-38	177.5	-81.3	162.9	0	0	0	113.4	N40 S46	N40-L42 PolarHBondContact O-N 3.49Å; L42-S46 WeakPolarHBondContact O-CB 3.48Å; L42-S46 PolarHBondContact O-N 2.76Å; L42-S46 PolarHBondContact O-OG 3.34Å
43	Y	73.1	Confident	70.7	Confident	175 Å²	175	104.1 Å²	104.1	69%	0.686	53%	0.526	S	S	*	.	H	α-helix	trans	-73.7	-39.5	176.6	-64.7	-69.6	0	0	0	111.5	N40 R41 S46 A47	N40-Y43 PolarHBondContact O-N 3.41Å; R41-Y43 PolarHBondContact O-N 3.48Å; Y43-S46 PolarHBondContact O-N 2.76Å; Y43-A47 PolarHBondContact O-N 2.93Å
44	V	72.6	Confident	71.4	Confident	71 Å²	71	103.6 Å²	103.6	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-46.8	175.7	-178.1	0	0	0	0	110.8	N40 R41 A47 A48	N40-V44 PolarHBondContact O-N 3.25Å; R41-V44 PolarHBondContact O-N 3.08Å; V44-A47 PolarHBondContact O-N 3.38Å; V44-A48 WeakPolarHBondContact O-CB 3.2Å; V44-A48 PolarHBondContact O-N 3.31Å
45	Y	73.6	Confident	71.8	Confident	151 Å²	151	101.8 Å²	101.8	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-37.2	175.9	-59.7	-34.4	0	0	0	112.6	R41 A48 A49	R41-Y45 HydrophobicContact CB-CD2 4.39Å; R41-Y45 HydrophobicContact CB-CE2 3.84Å; R41-Y45 HydrophobicContact CG-CE2 4.17Å; R41-Y45 WeakPolarHBondContact O-CD2 3.21Å; R41-Y45 PolarHBondContact O-N 3.35Å; Y45-A48 PolarHBondContact O-N 3.26Å; Y45-A49 VanDerWaalsContact O-CB 3.32Å; Y45-A49 WeakPolarHBondContact O-CB 3.41Å; Y45-A49 PolarHBondContact O-N 3.12Å
46	S	74.1	Confident	72.2	Confident	67 Å²	67	103.2 Å²	103.2	47%	0.469	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-45.7	174.4	-63.5	0	0	0	0	112.2	L42 Y43 A49 L50	L42-S46 WeakPolarHBondContact O-CB 3.48Å; L42-S46 PolarHBondContact O-N 2.76Å; L42-S46 PolarHBondContact O-OG 3.34Å; Y43-S46 PolarHBondContact O-N 2.76Å; S46-A49 PolarHBondContact O-N 3.47Å; S46-L50 WeakPolarHBondContact O-CG 3.33Å; S46-L50 PolarHBondContact O-N 3.5Å; S46-L50 VanDerWaalsContact O-N 3.13Å
47	A	76.7	Confident	72	Confident	53 Å²	53	101.8 Å²	101.8	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-43.7	177.5	0	0	0	0	0	112.1	Y43 V44 A49 L50 L51	Y43-A47 PolarHBondContact O-N 2.93Å; V44-A47 PolarHBondContact O-N 3.38Å; A47-A49 PolarHBondContact O-N 2.6Å; A47-L50 PolarHBondContact O-N 3.21Å; A47-L51 PolarHBondContact O-N 3.2Å; A47-L51 VanDerWaalsContact O-N 3.12Å
48	A	75.4	Confident	72.4	Confident	44 Å²	44	102.2 Å²	102.2	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-40.4	176.4	0	0	0	0	0	112.5	V44 Y45 L51 L52	V44-A48 WeakPolarHBondContact O-CB 3.2Å; V44-A48 PolarHBondContact O-N 3.31Å; Y45-A48 PolarHBondContact O-N 3.26Å; A48-L51 PolarHBondContact O-N 3.36Å; A48-L52 WeakPolarHBondContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 2.91Å
49	A	79.1	Confident	72.4	Confident	62 Å²	62	99.5 Å²	99.5	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-40.4	177.4	0	0	0	0	0	112.5	Y45 S46 A47 G53	Y45-A49 VanDerWaalsContact O-CB 3.32Å; Y45-A49 WeakPolarHBondContact O-CB 3.41Å; Y45-A49 PolarHBondContact O-N 3.12Å; S46-A49 PolarHBondContact O-N 3.47Å; A47-A49 PolarHBondContact O-N 2.6Å; A49-G53 PolarHBondContact O-N 2.88Å
50	L	83.2	Confident	72.4	Confident	133 Å²	133	97.4 Å²	97.4	70%	0.696	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-43.9	176.1	-71.4	170.8	0	0	0	112.1	S46 A47 G53 F54	S46-L50 WeakPolarHBondContact O-CG 3.33Å; S46-L50 PolarHBondContact O-N 3.5Å; S46-L50 VanDerWaalsContact O-N 3.13Å; A47-L50 PolarHBondContact O-N 3.21Å; L50-G53 PolarHBondContact O-N 3.07Å; L50-F54 PolarHBondContact O-N 3.45Å
51	L	79.8	Confident	71.9	Confident	121 Å²	121	98.8 Å²	98.8	63%	0.634	53%	0.527	S	S	*	.	H	α-helix	trans	-61.5	-45.6	175.8	-77.3	166.5	0	0	0	112.1	A47 A48 F54 C55	A47-L51 PolarHBondContact O-N 3.2Å; A47-L51 VanDerWaalsContact O-N 3.12Å; A48-L51 PolarHBondContact O-N 3.36Å; L51-F54 PolarHBondContact O-N 3.5Å; L51-C55 PolarHBondContact O-N 3.2Å; L51-C55 PolarHBondContact O-SG 3.4Å
52	L	77.2	Confident	70.9	Confident	127 Å²	127	103.6 Å²	103.6	67%	0.665	55%	0.545	S	S	*	.	H	α-helix	trans	-65.3	-39.3	177.1	-71	171.9	0	0	0	112.2	A48 C55 F56	A48-L52 WeakPolarHBondContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 2.91Å; L52-C55 PolarHBondContact O-N 3.1Å; L52-F56 WeakPolarHBondContact O-CB 3.36Å; L52-F56 PolarHBondContact O-N 3.32Å
53	G	81.8	Confident	69.9	Low	34 Å²	34	107.2 Å²	107.2	35%	0.351	55%	0.55	S	S	.	.	H	α-helix	trans	-61.6	-43	174.5	0	0	0	0	0	112.9	A49 L50 F56 L57	A49-G53 PolarHBondContact O-N 2.88Å; L50-G53 PolarHBondContact O-N 3.07Å; G53-F56 PolarHBondContact O-N 3Å; G53-L57 WeakPolarHBondContact O-CG 3.3Å; G53-L57 PolarHBondContact O-N 3.26Å
54	F	74.7	Confident	68.5	Low	134 Å²	134	107.5 Å²	107.5	59%	0.588	55%	0.554	S	S	*	*	H	α-helix	trans	-66.1	-44.3	177.2	-166	-105	0	0	0	112.1	L50 L51 F56 L57 L58	L50-F54 PolarHBondContact O-N 3.45Å; L51-F54 PolarHBondContact O-N 3.5Å; F54-F56 VanDerWaalsContact C-N 3.31Å; F54-F56 PolarHBondContact O-N 2.95Å; F54-L57 PolarHBondContact O-N 3.19Å; F54-L58 HydrophobicContact CD1-CD1 3.88Å; F54-L58 HydrophobicContact CE1-CD1 3.69Å; F54-L58 HydrophobicContact CE1-CG 4.35Å; F54-L58 HydrophobicContact CZ-CD1 4.47Å; F54-L58 WeakPolarHBondContact O-CG 3.37Å; F54-L58 PolarHBondContact O-N 3.46Å
55	C	69.4	Low	67.1	Low	70 Å²	70	110.1 Å²	110.1	47%	0.473	57%	0.565	S	S	.	*	H	α-helix	trans	-59.7	-38.8	172.9	-75.6	0	0	0	0	112.6	L51 L52 L58 Q59	L51-C55 PolarHBondContact O-N 3.2Å; L51-C55 PolarHBondContact O-SG 3.4Å; L52-C55 PolarHBondContact O-N 3.1Å; C55-L58 PolarHBondContact O-N 3.09Å; C55-Q59 WeakPolarHBondContact O-CG 3.27Å; C55-Q59 PolarHBondContact O-N 3.19Å; C55-Q59 VanDerWaalsContact O-N 3.12Å
56	F	70.9	Confident	65.4	Low	139 Å²	139	109.7 Å²	109.7	61%	0.61	57%	0.573	S	S	*	*	H	α-helix	trans	-67.4	-42.5	177.3	-165	-97.4	0	0	0	112.1	L52 G53 F54 L58 Q59 V60	L52-F56 WeakPolarHBondContact O-CB 3.36Å; L52-F56 PolarHBondContact O-N 3.32Å; G53-F56 PolarHBondContact O-N 3Å; F54-F56 VanDerWaalsContact C-N 3.31Å; F54-F56 PolarHBondContact O-N 2.95Å; F56-L58 VanDerWaalsContact C-N 3.35Å; F56-L58 PolarHBondContact O-N 3.23Å; F56-Q59 PolarHBondContact O-N 2.84Å; F56-V60 HydrophobicContact CD1-CG2 4.06Å; F56-V60 HydrophobicContact CE1-CG2 3.83Å; F56-V60 HydrophobicContact CZ-CG2 4.4Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.34Å
57	L	68.3	Low	63.7	Low	113 Å²	113	114.4 Å²	114.4	59%	0.592	59%	0.587	S	S	*	*	H	α-helix	trans	-58.3	-44.6	174	-77.8	164.3	0	0	0	111.9	G53 F54 Q59 V60 T61	G53-L57 WeakPolarHBondContact O-CG 3.3Å; G53-L57 PolarHBondContact O-N 3.26Å; F54-L57 PolarHBondContact O-N 3.19Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.48Å; L57-V60 PolarHBondContact O-N 2.88Å; L57-T61 PolarHBondContact O-N 2.83Å; L57-T61 PolarHBondContact O-OG1 3.33Å
58	L	63.8	Low	61.7	Low	86 Å²	86	117.8 Å²	117.8	45%	0.45	60%	0.603	S	S	.	*	H	α-helix	trans	-64.7	-30.4	176.7	-70.9	173.9	0	0	0	113.7	F54 C55 F56 T61 R62	F54-L58 HydrophobicContact CD1-CD1 3.88Å; F54-L58 HydrophobicContact CE1-CD1 3.69Å; F54-L58 HydrophobicContact CE1-CG 4.35Å; F54-L58 HydrophobicContact CZ-CD1 4.47Å; F54-L58 WeakPolarHBondContact O-CG 3.37Å; F54-L58 PolarHBondContact O-N 3.46Å; C55-L58 PolarHBondContact O-N 3.09Å; F56-L58 VanDerWaalsContact C-N 3.35Å; F56-L58 PolarHBondContact O-N 3.23Å; L58-T61 PolarHBondContact O-OG1 3.47Å; L58-R62 WeakPolarHBondContact O-CB 3.36Å; L58-R62 WeakPolarHBondContact O-CG 3.3Å; L58-R62 PolarHBondContact O-N 3.33Å
59	Q	61.7	Low	59.4	Low	115 Å²	115	124.4 Å²	124.4	54%	0.537	62%	0.623	S	S	.	*	H	α-helix	trans	-74.5	-37.5	173.1	-72.6	-175.5	5.1	0	0	112.3	C55 F56 L57 R63	C55-Q59 WeakPolarHBondContact O-CG 3.27Å; C55-Q59 PolarHBondContact O-N 3.19Å; C55-Q59 VanDerWaalsContact O-N 3.12Å; F56-Q59 PolarHBondContact O-N 2.84Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.48Å; Q59-R63 PolarHBondContact O-N 2.84Å
60	V	65.7	Low	57.1	Low	75 Å²	75	128.7 Å²	128.7	46%	0.455	64%	0.637	S	S	.	*	H	α-helix	trans	-68.2	-41.8	178.2	171.8	0	0	0	0	111.5	F56 L57 R63 K64	F56-V60 HydrophobicContact CD1-CG2 4.06Å; F56-V60 HydrophobicContact CE1-CG2 3.83Å; F56-V60 HydrophobicContact CZ-CG2 4.4Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.34Å; L57-V60 PolarHBondContact O-N 2.88Å; V60-R63 PolarHBondContact O-N 3.42Å; V60-K64 PolarHBondContact O-N 2.98Å
61	T	51.5	Low	54.5	Low	79 Å²	79	128.3 Å²	128.3	49%	0.485	65%	0.646	S	S	.	*	H	α-helix	trans	-65.2	-43.4	175.7	52.9	0	0	0	0	111.9	L57 L58 R63 K64	L57-T61 PolarHBondContact O-N 2.83Å; L57-T61 PolarHBondContact O-OG1 3.33Å; L58-T61 PolarHBondContact O-OG1 3.47Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.36Å; T61-K64 PolarHBondContact O-N 3.28Å
62	R	47.3	Very low	51.8	Low	200 Å²	200	126.3 Å²	126.3	76%	0.755	66%	0.655	S	S	*	*	H	α-helix	trans	-60	-38.7	174.9	-79.8	-179.9	168	178.4	-2.6	113.3	L58 K64	L58-R62 WeakPolarHBondContact O-CB 3.36Å; L58-R62 WeakPolarHBondContact O-CG 3.3Å; L58-R62 PolarHBondContact O-N 3.33Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.23Å
63	R	48.8	Very low	49.3	Very low	202 Å²	202	125.7 Å²	125.7	76%	0.762	66%	0.661	S	S	*	*	H	α-helix	trans	-68.4	-23.4	177.4	-80.8	-178	170.4	173.4	-2	114	Q59 V60 T61	Q59-R63 PolarHBondContact O-N 2.84Å; V60-R63 PolarHBondContact O-N 3.42Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.36Å
64	K	42.7	Very low	46.6	Very low	181 Å²	181	133.1 Å²	133.1	79%	0.787	68%	0.683	S	S	*	*	H	α-helix	trans	-80	-15.6	-176.6	-134.8	-178.7	-176.5	-172.3	0	114.2	V60 T61 R62	V60-K64 PolarHBondContact O-N 2.98Å; T61-K64 PolarHBondContact O-N 3.28Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.23Å
65	I	42.5	Very low	44.2	Very low	127 Å²	127	134 Å²	134	65%	0.651	69%	0.694	S	S	*	*	H	α-helix	trans	-87.6	-30.4	-178	-64.8	171	0	0	0	111.9	H67	I65-H67 VanDerWaalsContact C-N 3.34Å; I65-H67 PolarHBondContact O-N 2.89Å
66	N	39.6	Very low	42	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	8.4	-170	-73.8	22.5	0	0	0	115.3
67	H	37.4	Very low	39.7	Very low	166 Å²	166	132.1 Å²	132.1	77%	0.769	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	12.5	-168.3	-136.4	-55.9	0	0	0	115.7	I65	I65-H67 VanDerWaalsContact C-N 3.34Å; I65-H67 PolarHBondContact O-N 2.89Å
68	T	34.1	Very low	37.7	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	73%	0.725	S	S	*	*	S	Bend	trans	-117.2	69.3	176.6	47.8	0	0	0	0	111.6
69	K	28.9	Very low	35.8	Very low	183 Å²	183	140.3 Å²	140.3	80%	0.796	74%	0.744	S	S	*	*			trans	177.2	142.8	163.6	-97.4	161.8	-176.9	-174.3	0	105.6
70	D	29.8	Very low	34.1	Very low	151 Å²	151	142 Å²	142	81%	0.807	76%	0.761	S	S	*	*			cis	-137.6	164.8	5.2	-105.3	-52.5	0	0	0	110.9
71	S	28.3	Very low	32.2	Very low	126 Å²	126	146.6 Å²	146.6	88%	0.881	78%	0.778	S	S	*	*			trans	-153.3	127	170.3	55.3	0	0	0	0	114.2
72	G	23.1	Very low	30.9	Very low	79 Å²	79	152.5 Å²	152.5	81%	0.814	80%	0.797	S	S	*	*			trans	143.1	154.1	-177.8	0	0	0	0	0	110.4
73	S	24.6	Very low	29.9	Very low	113 Å²	113	147.7 Å²	147.7	79%	0.79	80%	0.8	S	S	*	*			cis	-151.5	169.4	-3	-173.5	0	0	0	0	110.6
74	K	24.6	Very low	28.9	Very low	191 Å²	191	142.3 Å²	142.3	83%	0.83	80%	0.799	S	S	*	*			trans	-31.8	153.1	175.4	-49.8	166.2	177.5	176.3	0	117.1
75	D	25	Very low	28	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	80%	0.804	S	S	*	*				-152.1	173.7	100.2	-143.8	-14.5	0	0	0	113.7
76	S	24.2	Very low	27.3	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	81%	0.812	S	S	*	*			trans	-108.9	167.3	175.1	58.1	0	0	0	0	109.7
77	G	22	Very low	26.7	Very low	64 Å²	64	143.7 Å²	143.7	66%	0.66	82%	0.815	S	S	*	*			cis	148.3	157.5	-2.2	0	0	0	0	0	110.1
78	L	25.7	Very low	26.5	Very low	178 Å²	178	141.7 Å²	141.7	93%	0.932	82%	0.82	S	S	*	*			trans	-158.1	152.9	163	-137.1	72.8	0	0	0	110.5
79	K	23.8	Very low	26.2	Very low	192 Å²	192	143.6 Å²	143.6	84%	0.835	83%	0.826	S	S	*	*			trans	-128.8	144.1	177.8	-74.1	-176.8	176.7	180	0	110.8
80	V	25.6	Very low	26.6	Very low	150 Å²	150	143.4 Å²	143.4	91%	0.909	83%	0.828	S	S	*	*			trans	-120.2	138.5	154.4	179.4	0	0	0	0	107.3
81	Q	26.4	Very low	26.9	Very low	173 Å²	173	144 Å²	144	81%	0.808	83%	0.831	S	S	*	*			trans	-104.2	155.9	-171.9	-55.6	177.9	8.9	0	0	112
82	K	24.9	Very low	27.7	Very low	203 Å²	203	141.6 Å²	141.6	88%	0.883	82%	0.818	S	S	*	*			trans	-154.9	132.9	136.4	-122.3	172.1	-175.6	177.7	0	113.4
83	A	26.2	Very low	29.4	Very low	98 Å²	98	142.5 Å²	142.5	81%	0.81	80%	0.804	S	S	*	*			trans	40	111.9	159.3	0	0	0	0	0	119.3
84	A	26.7	Very low	31.5	Very low	89 Å²	89	140.8 Å²	140.8	74%	0.736	79%	0.789	S	S	*	*			trans	-87.8	160.5	167.4	0	0	0	0	0	112.4
85	K	25.6	Very low	34.2	Very low	209 Å²	209	134.8 Å²	134.8	91%	0.909	76%	0.764	S	S	*	*			trans	-136.1	109.9	155.9	-162.3	178.4	-173.2	-176.7	0	107.8
86	N	26.5	Very low	37.2	Very low	153 Å²	153	128 Å²	128	82%	0.818	73%	0.728	S	S	*	*			trans	-83.5	132.1	-171.8	-69.4	1.1	0	0	0	111.9
87	S	27.5	Very low	40.2	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	71%	0.712	S	S	*	*			trans	-137.8	120.1	145.6	53.3	0	0	0	0	106.5
88	S	32.6	Very low	43.6	Very low	125 Å²	125	123.1 Å²	123.1	87%	0.874	69%	0.685	S	S	*	*			trans	-76.8	129.6	-178.6	50.1	0	0	0	0	110.9
89	D	29.3	Very low	46.9	Very low	164 Å²	164	114.8 Å²	114.8	88%	0.877	64%	0.642	S	S	*	*			trans	-137.3	147.8	152.4	-144.3	-15.5	0	0	0	107.4
90	E	35.4	Very low	50.3	Low	179 Å²	179	108.1 Å²	108.1	84%	0.836	61%	0.613	S	S	*	*			trans	-80.2	142.2	179	-64.8	-169.3	138.3	0	0	109.8	A92	E90-A92 PolarHBondContact O-N 3.42Å
91	D	36.7	Very low	53.7	Low	163 Å²	163	101 Å²	101	87%	0.872	57%	0.57	S	S	*	*			trans	-74	73.6	-175.7	-168.3	19	0	0	0	111.5	D93	D91-D93 PolarHBondContact O-N 3.42Å
92	A	46.2	Very low	57.1	Low	75 Å²	75	92.8 Å²	92.8	62%	0.62	53%	0.531	S	S	*	.			trans	-64.6	114.7	175.4	0	0	0	0	0	109.2	E90 V94	E90-A92 PolarHBondContact O-N 3.42Å; A92-V94 WeakPolarHBondContact O-CG2 3.47Å; A92-V94 PolarHBondContact O-N 3.41Å
93	D	57.7	Low	60.6	Low	98 Å²	98	83.7 Å²	83.7	52%	0.524	49%	0.492	S	S	.	.			trans	-56.5	94.5	-174.6	-179.2	11.7	0	0	0	112	D91 H95 K149	D91-D93 PolarHBondContact O-N 3.42Å; D93-H95 PolarHBondContact O-N 2.75Å; D93-H95 PolarHBondContact O-ND1 2.77Å; D93-H95 IonicContact OD1-ND1 2.68Å; D93-H95 IonicContact OD2-CE1 3.7Å; D93-H95 PolarHBondContact OD2-CE1 2.85Å; D93-H95 IonicContact OD2-ND1 2.88Å; D93-H95 IonicContact OD2-NE2 3Å; D93-K149 IonicContact OD1-NZ 2.68Å; D93-K149 PolarHBondContact OD1-NZ 3.43Å
94	V	69.9	Low	63.9	Low	77 Å²	77	79 Å²	79	47%	0.467	45%	0.453	S	S	.	.			trans	-65.3	101	-177.1	178.3	0	0	0	0	108.4	A92 V96 K149	A92-V94 WeakPolarHBondContact O-CG2 3.47Å; A92-V94 PolarHBondContact O-N 3.41Å; V94-V96 VanDerWaalsContact CG1-O 3.29Å; V94-V96 WeakPolarHBondContact CG1-O 3.41Å; V94-K149 WeakPolarHBondContact O-CD 3.46Å; V94-K149 WeakPolarHBondContact O-CE 3.34Å; V94-K149 PolarHBondContact O-NZ 2.88Å
95	H	80.5	Confident	67.1	Low	65 Å²	65	75.6 Å²	75.6	30%	0.301	42%	0.423	S	S	.	.	S	Bend	trans	-80.2	-17.7	-179.2	-79.3	70	0	0	0	113.6	D93 R193 L263 G266	D93-H95 PolarHBondContact O-N 2.75Å; D93-H95 PolarHBondContact O-ND1 2.77Å; D93-H95 IonicContact OD1-ND1 2.68Å; D93-H95 IonicContact OD2-CE1 3.7Å; D93-H95 PolarHBondContact OD2-CE1 2.85Å; D93-H95 IonicContact OD2-ND1 2.88Å; D93-H95 IonicContact OD2-NE2 3Å; H95-R193 PolarHBondContact O-NH1 2.98Å; H95-R193 PolarHBondContact O-NH2 3.32Å; H95-R193 VanDerWaalsContact O-NH2 3.1Å; H95-L263 WeakPolarHBondContact CB-O 3.33Å; H95-G266 WeakPolarHBondContact CD2-CA 3.49Å
96	V	87.3	Confident	70.1	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.067	40%	0.397	C	S	.	.			trans	-138.4	113	171.6	179.6	0	0	0	0	108.4	V94 I126 K149 V151 L260 L263 A264	V94-V96 VanDerWaalsContact CG1-O 3.29Å; V94-V96 WeakPolarHBondContact CG1-O 3.41Å; V96-I126 HydrophobicContact CG1-CG2 4.2Å; V96-K149 CarbonylContact C-O 3.57Å; V96-K149 WeakPolarHBondContact CA-O 3.36Å; V96-V151 HydrophobicContact CG1-CG2 4.24Å; V96-L260 HydrophobicContact CG1-CD1 4.11Å; V96-L260 HydrophobicContact CG2-CD1 4.5Å; V96-L263 HydrophobicContact CG2-CB 3.81Å; V96-A264 HydrophobicContact CB-CB 4.39Å; V96-A264 HydrophobicContact CG2-CB 4.32Å
97	S	87.7	Confident	72.9	Confident	58 Å²	58	67.6 Å²	67.6	41%	0.406	39%	0.392	S	S	.	.			trans	-87	-10.3	-179.1	60.8	0	0	0	0	114.1	K149 S150	S97-K149 PolarHBondContact N-O 2.74Å; S97-K149 PolarHBondContact OG-O 3.22Å; S97-S150 PolarHBondContact OG-N 3.38Å
98	G	92.5	Very high	76	Confident	9 Å²	9	63.7 Å²	63.7	9%	0.093	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	177	177.1	0	0	0	0	0	113	P127 S150 V151	G98-P127 CarbonylContact C-O 3.45Å; G98-P127 WeakPolarHBondContact CA-O 3.37Å; G98-S150 CarbonylContact O-C 3.5Å; G98-S150 VanDerWaalsContact O-CA 3.26Å; G98-S150 WeakPolarHBondContact O-CA 3.45Å; G98-V151 PolarHBondContact O-N 3.38Å
99	V	95.8	Very high	78.9	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	176.4	-176.3	0	0	0	0	110.1	I101 V121 I126 P127 A128 E129 V151 V153 F256 L260	V99-I101 HydrophobicContact CG1-CD1 4.48Å; V99-I101 HydrophobicContact CG1-CG1 3.9Å; V99-V121 HydrophobicContact CB-CG1 4.08Å; V99-V121 HydrophobicContact CG2-CG1 3.72Å; V99-I126 HydrophobicContact CG2-CG2 4.08Å; V99-P127 PolarHBondContact N-O 2.98Å; V99-A128 VanDerWaalsContact O-CA 3.3Å; V99-A128 WeakPolarHBondContact O-CA 3.46Å; V99-E129 PolarHBondContact O-N 3.28Å; V99-V151 CarbonylContact C-O 3.58Å; V99-V151 VanDerWaalsContact CA-O 3.27Å; V99-V151 WeakPolarHBondContact CA-O 3.34Å; V99-V151 WeakPolarHBondContact CG1-O 3.47Å; V99-V151 HydrophobicContact CG2-CB 4.45Å; V99-V153 HydrophobicContact CG1-CG2 3.84Å; V99-F256 HydrophobicContact CG1-CZ 4.38Å; V99-L260 HydrophobicContact CG2-CD1 3.89Å; V99-L260 HydrophobicContact CG2-CD2 3.78Å; V99-L260 HydrophobicContact CG2-CG 4.49Å
100	K	95.4	Very high	82	Confident	52 Å²	52	52.3 Å²	52.3	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.2	174.5	-64.6	-165.7	175.6	-170.4	0	110.1	F102 E129 I131 E145 V151 C152 V153	K100-F102 HydrophobicContact CB-CE2 3.82Å; K100-F102 HydrophobicContact CB-CZ 4.07Å; K100-E129 WeakPolarHBondContact CD-OE2 3.3Å; K100-E129 WeakPolarHBondContact CE-OE2 3.41Å; K100-E129 HydrophobicContact CG-CB 4.37Å; K100-E129 IonicContact NZ-OE2 3.49Å; K100-E129 PolarHBondContact NZ-OE2 2.92Å; K100-I131 HydrophobicContact CB-CD1 4.09Å; K100-I131 HydrophobicContact CD-CD1 4Å; K100-I131 HydrophobicContact CG-CD1 4.34Å; K100-E145 VanDerWaalsContact CD-OE1 3.3Å; K100-E145 WeakPolarHBondContact CD-OE1 3.46Å; K100-E145 WeakPolarHBondContact CE-OE1 2.99Å; K100-E145 IonicContact NZ-OE1 3.83Å; K100-E145 PolarHBondContact NZ-OE1 2.93Å; K100-V151 PolarHBondContact N-O 2.99Å; K100-C152 CarbonylContact O-C 3.58Å; K100-C152 WeakPolarHBondContact O-CA 3.32Å; K100-V153 PolarHBondContact O-N 3.19Å
101	I	97.6	Very high	85	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	99	-169.8	-51.5	166.6	0	0	0	108.8	V99 A114 L117 A128 E129 V130 I131 V153 L155	V99-I101 HydrophobicContact CG1-CD1 4.48Å; V99-I101 HydrophobicContact CG1-CG1 3.9Å; I101-A114 HydrophobicContact CG2-CB 3.73Å; I101-L117 HydrophobicContact CD1-CB 4.11Å; I101-L117 HydrophobicContact CD1-CD2 3.92Å; I101-L117 HydrophobicContact CD1-CG 3.76Å; I101-L117 HydrophobicContact CG1-CD2 4.17Å; I101-L117 HydrophobicContact CG2-CD2 4.14Å; I101-A128 HydrophobicContact CD1-CB 4.5Å; I101-E129 PolarHBondContact N-O 2.78Å; I101-V130 WeakPolarHBondContact O-CA 3.27Å; I101-I131 PolarHBondContact O-N 2.95Å; I101-V153 CarbonylContact C-O 3.57Å; I101-V153 WeakPolarHBondContact CA-O 3.38Å; I101-V153 HydrophobicContact CG1-CB 4.35Å; I101-V153 HydrophobicContact CG2-CB 4.36Å; I101-V153 HydrophobicContact CG2-CG1 4.41Å; I101-L155 HydrophobicContact CG2-CD1 3.86Å; I101-L155 HydrophobicContact CG2-CG 4.18Å
102	F	97.1	Very high	87.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.8	179.3	-56.2	-89.7	0	0	0	110.2	K100 I131 M133 F136 C152 V153 F154 L155	K100-F102 HydrophobicContact CB-CE2 3.82Å; K100-F102 HydrophobicContact CB-CZ 4.07Å; F102-I131 WeakPolarHBondContact CA-O 2.89Å; F102-I131 HydrophobicContact CD1-CB 3.86Å; F102-I131 HydrophobicContact CD1-CD1 4.23Å; F102-I131 HydrophobicContact CD1-CG2 3.78Å; F102-I131 HydrophobicContact CE1-CB 4.14Å; F102-I131 HydrophobicContact CE1-CD1 3.66Å; F102-I131 HydrophobicContact CE1-CG1 4.48Å; F102-I131 HydrophobicContact CE1-CG2 3.93Å; F102-I131 HydrophobicContact CZ-CD1 3.96Å; F102-M133 HydrophobicContact CB-CE 3.68Å; F102-M133 HydrophobicContact CB-CG 4.13Å; F102-F136 HydrophobicContact CD1-CD1 4.32Å; F102-F136 HydrophobicContact CD1-CG 4.28Å; F102-F136 HydrophobicContact CE1-CB 4.43Å; F102-F136 AromaticContact CE1-CD1 3.7Å; F102-F136 HydrophobicContact CE1-CD1 3.7Å; F102-F136 AromaticContact CE1-CD2 3.68Å; F102-F136 HydrophobicContact CE1-CD2 3.68Å; F102-F136 AromaticContact CE1-CE1 3.72Å; F102-F136 HydrophobicContact CE1-CE1 3.72Å; F102-F136 AromaticContact CE1-CE2 3.71Å; F102-F136 HydrophobicContact CE1-CE2 3.71Å; F102-F136 AromaticContact CE1-CG 3.67Å; F102-F136 HydrophobicContact CE1-CG 3.67Å; F102-F136 AromaticContact CE1-CZ 3.72Å; F102-F136 HydrophobicContact CE1-CZ 3.72Å; F102-F136 HydrophobicContact CZ-CD2 4.49Å; F102-F136 HydrophobicContact CZ-CE1 4.16Å; F102-F136 HydrophobicContact CZ-CE2 4.08Å; F102-F136 AromaticContact CZ-CZ 3.9Å; F102-F136 HydrophobicContact CZ-CZ 3.9Å; F102-C152 HydrophobicContact CD2-CB 4.44Å; F102-C152 HydrophobicContact CE2-CB 3.91Å; F102-V153 PolarHBondContact N-O 2.78Å; F102-F154 HydrophobicContact CB-CD1 3.7Å; F102-F154 HydrophobicContact CB-CE1 4Å; F102-F154 AromaticContact CD2-CD1 3.75Å; F102-F154 HydrophobicContact CD2-CD1 3.75Å; F102-F154 AromaticContact CD2-CE1 3.31Å; F102-F154 HydrophobicContact CD2-CE1 3.31Å; F102-F154 AromaticContact CD2-CZ 3.94Å; F102-F154 HydrophobicContact CD2-CZ 3.94Å; F102-F154 AromaticContact CE2-CE1 3.88Å; F102-F154 HydrophobicContact CE2-CE1 3.88Å; F102-F154 HydrophobicContact CE2-CZ 4.14Å; F102-F154 AromaticContact CG-CD1 3.94Å; F102-F154 HydrophobicContact CG-CD1 3.94Å; F102-F154 AromaticContact CG-CE1 3.7Å; F102-F154 HydrophobicContact CG-CE1 3.7Å; F102-L155 PolarHBondContact O-N 2.81Å
103	Y	97.7	Very high	90.3	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.051	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.8	176.8	70.9	-100.6	0	0	0	114.5	K111 A114 V130 I131 D132 M133 L155 N167	Y103-K111 HydrophobicContact CD1-CB 4.32Å; Y103-K111 HydrophobicContact CD1-CG 4.22Å; Y103-K111 HydrophobicContact CD2-CB 3.8Å; Y103-K111 HydrophobicContact CD2-CG 4.3Å; Y103-K111 HydrophobicContact CE1-CB 4.29Å; Y103-K111 HydrophobicContact CE1-CD 4.13Å; Y103-K111 HydrophobicContact CE1-CG 3.79Å; Y103-K111 HydrophobicContact CE2-CB 3.83Å; Y103-K111 HydrophobicContact CE2-CD 3.83Å; Y103-K111 HydrophobicContact CE2-CG 3.93Å; Y103-K111 HydrophobicContact CG-CB 4.08Å; Y103-K111 HydrophobicContact CG-CG 4.47Å; Y103-K111 WeakPolarHBondContact OH-CD 3.48Å; Y103-K111 VanDerWaalsContact OH-CE 3.28Å; Y103-K111 WeakPolarHBondContact OH-CE 3.45Å; Y103-K111 PolarHBondContact OH-NZ 2.75Å; Y103-A114 HydrophobicContact CD1-CB 4.02Å; Y103-A114 HydrophobicContact CG-CB 4.45Å; Y103-V130 HydrophobicContact CD1-CG1 3.8Å; Y103-V130 HydrophobicContact CE1-CG1 3.84Å; Y103-I131 WeakPolarHBondContact CD1-O 3.36Å; Y103-I131 PolarHBondContact N-O 2.87Å; Y103-D132 HydrophobicContact CE1-CB 4.2Å; Y103-D132 HydrophobicContact CE2-CB 4.18Å; Y103-D132 WeakPolarHBondContact CE2-OD2 3.26Å; Y103-D132 WeakPolarHBondContact OH-CB 3.42Å; Y103-D132 VanDerWaalsContact OH-CG 3.25Å; Y103-D132 PolarHBondContact OH-OD2 3.33Å; Y103-M133 WeakPolarHBondContact O-CG 3.47Å; Y103-M133 PolarHBondContact O-N 3.08Å; Y103-L155 VanDerWaalsContact CA-O 3.31Å; Y103-L155 WeakPolarHBondContact CA-O 3.49Å; Y103-N167 PolarHBondContact O-ND2 2.97Å
104	G	96.6	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113	165.4	0	0	0	0	0	109.6	A110 L155 A157 T165 N167	G104-A110 WeakPolarHBondContact O-CB 3.35Å; G104-L155 PolarHBondContact N-O 2.87Å; G104-A157 PolarHBondContact O-N 3.31Å; G104-T165 WeakPolarHBondContact CA-OG1 3.4Å; G104-N167 WeakPolarHBondContact CA-OD1 3.27Å
105	S	94.3	Very high	93.5	Very high	16 Å²	16	33.8 Å²	33.8	11%	0.112	20%	0.204	C	C	.	.			trans	-151.4	120.3	-167.1	-159.8	0	0	0	0	113	G108 T109 A110 T165 N167	S105-G108 VanDerWaalsContact OG-CA 3.26Å; S105-G108 WeakPolarHBondContact OG-CA 3.47Å; S105-G108 PolarHBondContact OG-N 3.33Å; S105-T109 PolarHBondContact OG-N 3.31Å; S105-A110 PolarHBondContact OG-N 3.29Å; S105-A110 VanDerWaalsContact OG-N 3.11Å; S105-T165 PolarHBondContact N-OG1 3.12Å; S105-T165 VanDerWaalsContact N-OG1 3.1Å; S105-N167 PolarHBondContact N-OD1 3.09Å
106	Q	88.6	Confident	94.3	Very high	78 Å²	78	33.5 Å²	33.5	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	-85.4	-51.1	172.1	-155.8	74	16.8	0	0	111.6	G108 Y159 T165 Q166	Q106-G108 PolarHBondContact O-N 3.04Å; Q106-Y159 HydrophobicContact CB-CD2 4.04Å; Q106-Y159 HydrophobicContact CB-CE2 3.87Å; Q106-Y159 HydrophobicContact CG-CD2 4.26Å; Q106-Y159 HydrophobicContact CG-CE2 3.72Å; Q106-T165 HydrophobicContact CB-CG2 3.91Å; Q106-Q166 VanDerWaalsContact OE1-N 3.12Å
107	T	85.3	Confident	94.7	Very high	116 Å²	116	33 Å²	33	71%	0.712	20%	0.199	S	C	*	.	S	Bend	trans	-94.9	22.2	-175.7	52.9	0	0	0	0	113.5	T109	T107-T109 PolarHBondContact O-N 2.96Å; T107-T109 PolarHBondContact OG1-OG1 2.98Å
108	G	91.3	Very high	95.2	Very high	36 Å²	36	30.6 Å²	30.6	37%	0.371	18%	0.183	S	C	.	.	S	Bend	trans	69	-10.7	-178.2	0	0	0	0	0	117.3	S105 Q106 A110 K111 G112	S105-G108 VanDerWaalsContact OG-CA 3.26Å; S105-G108 WeakPolarHBondContact OG-CA 3.47Å; S105-G108 PolarHBondContact OG-N 3.33Å; Q106-G108 PolarHBondContact O-N 3.04Å; G108-A110 PolarHBondContact O-N 3.11Å; G108-K111 WeakPolarHBondContact O-CB 3.32Å; G108-K111 PolarHBondContact O-N 2.96Å; G108-K111 VanDerWaalsContact O-N 3.16Å; G108-G112 PolarHBondContact O-N 3.42Å
109	T	93.9	Very high	95.4	Very high	49 Å²	49	36.6 Å²	36.6	30%	0.301	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-47.5	-175	-45.9	0	0	0	0	113.9	S105 T107 K111 G112 F113 L199	S105-T109 PolarHBondContact OG-N 3.31Å; T107-T109 PolarHBondContact O-N 2.96Å; T107-T109 PolarHBondContact OG1-OG1 2.98Å; T109-K111 VanDerWaalsContact C-N 3.32Å; T109-K111 PolarHBondContact O-N 3.44Å; T109-G112 PolarHBondContact O-N 2.76Å; T109-F113 HydrophobicContact CG2-CE1 4.44Å; T109-F113 HydrophobicContact CG2-CE2 4.09Å; T109-F113 HydrophobicContact CG2-CZ 3.98Å; T109-F113 PolarHBondContact O-N 3.13Å; T109-F113 VanDerWaalsContact O-N 3.09Å; T109-L199 HydrophobicContact CG2-CD2 3.85Å
110	A	95.8	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.5	-27.6	179.8	0	0	0	0	0	112.3	G104 S105 G108 A114 L155 L199	G104-A110 WeakPolarHBondContact O-CB 3.35Å; S105-A110 PolarHBondContact OG-N 3.29Å; S105-A110 VanDerWaalsContact OG-N 3.11Å; G108-A110 PolarHBondContact O-N 3.11Å; A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.05Å; A110-L155 HydrophobicContact CB-CB 4.43Å; A110-L199 HydrophobicContact CB-CD1 3.7Å; A110-L199 HydrophobicContact CB-CD2 3.97Å
111	K	96.6	Very high	95.4	Very high	100 Å²	100	37.5 Å²	37.5	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-41.6	170	-178	171.4	-173.6	149.5	0	111.7	Y103 G108 T109 A114 S115	Y103-K111 HydrophobicContact CD1-CB 4.32Å; Y103-K111 HydrophobicContact CD1-CG 4.22Å; Y103-K111 HydrophobicContact CD2-CB 3.8Å; Y103-K111 HydrophobicContact CD2-CG 4.3Å; Y103-K111 HydrophobicContact CE1-CB 4.29Å; Y103-K111 HydrophobicContact CE1-CD 4.13Å; Y103-K111 HydrophobicContact CE1-CG 3.79Å; Y103-K111 HydrophobicContact CE2-CB 3.83Å; Y103-K111 HydrophobicContact CE2-CD 3.83Å; Y103-K111 HydrophobicContact CE2-CG 3.93Å; Y103-K111 HydrophobicContact CG-CB 4.08Å; Y103-K111 HydrophobicContact CG-CG 4.47Å; Y103-K111 WeakPolarHBondContact OH-CD 3.48Å; Y103-K111 VanDerWaalsContact OH-CE 3.28Å; Y103-K111 WeakPolarHBondContact OH-CE 3.45Å; Y103-K111 PolarHBondContact OH-NZ 2.75Å; G108-K111 WeakPolarHBondContact O-CB 3.32Å; G108-K111 PolarHBondContact O-N 2.96Å; G108-K111 VanDerWaalsContact O-N 3.16Å; T109-K111 VanDerWaalsContact C-N 3.32Å; T109-K111 PolarHBondContact O-N 3.44Å; K111-A114 WeakPolarHBondContact O-CB 3.22Å; K111-A114 PolarHBondContact O-N 3.14Å; K111-S115 PolarHBondContact O-N 2.89Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 3.12Å
112	G	96.6	Very high	95.2	Very high	39 Å²	39	42.4 Å²	42.4	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-59.7	-48.8	173.5	0	0	0	0	0	112.2	G108 T109 A114 S115 E116	G108-G112 PolarHBondContact O-N 3.42Å; T109-G112 PolarHBondContact O-N 2.76Å; G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 3.34Å; G112-S115 PolarHBondContact O-N 3.22Å; G112-E116 WeakPolarHBondContact O-CB 3.39Å; G112-E116 PolarHBondContact O-N 2.97Å
113	F	97.8	Very high	95	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-33.1	174.6	-68.3	-11.9	0	0	0	113.2	T109 L117 L155 F197 L199 V245 Q246 F249	T109-F113 HydrophobicContact CG2-CE1 4.44Å; T109-F113 HydrophobicContact CG2-CE2 4.09Å; T109-F113 HydrophobicContact CG2-CZ 3.98Å; T109-F113 PolarHBondContact O-N 3.13Å; T109-F113 VanDerWaalsContact O-N 3.09Å; F113-L117 VanDerWaalsContact O-CB 3.31Å; F113-L117 WeakPolarHBondContact O-CB 3.38Å; F113-L117 PolarHBondContact O-N 3.02Å; F113-L155 HydrophobicContact CB-CD1 4.02Å; F113-F197 HydrophobicContact CE2-CE1 4.43Å; F113-L199 HydrophobicContact CD2-CD2 3.88Å; F113-L199 HydrophobicContact CD2-CG 4.44Å; F113-L199 HydrophobicContact CE2-CD2 3.7Å; F113-L199 HydrophobicContact CE2-CG 4.3Å; F113-V245 HydrophobicContact CE2-CG2 4.16Å; F113-V245 HydrophobicContact CZ-CG2 4.47Å; F113-Q246 HydrophobicContact CE1-CG 4.07Å; F113-Q246 HydrophobicContact CZ-CB 4.45Å; F113-Q246 HydrophobicContact CZ-CG 4.06Å; F113-F249 HydrophobicContact CB-CD1 4.02Å; F113-F249 HydrophobicContact CB-CD2 4.24Å; F113-F249 HydrophobicContact CB-CE1 3.64Å; F113-F249 HydrophobicContact CB-CE2 3.89Å; F113-F249 HydrophobicContact CB-CG 4.3Å; F113-F249 HydrophobicContact CB-CZ 3.58Å; F113-F249 AromaticContact CD1-CD1 3.45Å; F113-F249 HydrophobicContact CD1-CD1 3.45Å; F113-F249 VanDerWaalsContact CD1-CD1 3.45Å; F113-F249 AromaticContact CD1-CE1 3.72Å; F113-F249 HydrophobicContact CD1-CE1 3.72Å; F113-F249 HydrophobicContact CD1-CG 4.05Å; F113-F249 HydrophobicContact CD2-CB 4Å; F113-F249 AromaticContact CD2-CD1 3.93Å; F113-F249 HydrophobicContact CD2-CD1 3.93Å; F113-F249 AromaticContact CD2-CD2 3.91Å; F113-F249 HydrophobicContact CD2-CD2 3.91Å; F113-F249 HydrophobicContact CD2-CE1 4.41Å; F113-F249 HydrophobicContact CD2-CE2 4.41Å; F113-F249 AromaticContact CD2-CG 3.65Å; F113-F249 HydrophobicContact CD2-CG 3.65Å; F113-F249 HydrophobicContact CE1-CB 4.37Å; F113-F249 AromaticContact CE1-CD1 3.82Å; F113-F249 HydrophobicContact CE1-CD1 3.82Å; F113-F249 HydrophobicContact CE1-CG 4.27Å; F113-F249 HydrophobicContact CE2-CB 3.71Å; F113-F249 HydrophobicContact CE2-CD1 4.25Å; F113-F249 HydrophobicContact CE2-CD2 4.48Å; F113-F249 AromaticContact CE2-CG 3.89Å; F113-F249 HydrophobicContact CE2-CG 3.89Å; F113-F249 HydrophobicContact CG-CB 4.47Å; F113-F249 AromaticContact CG-CD1 3.53Å; F113-F249 HydrophobicContact CG-CD1 3.53Å; F113-F249 HydrophobicContact CG-CD2 4.1Å; F113-F249 AromaticContact CG-CE1 3.68Å; F113-F249 HydrophobicContact CG-CE1 3.68Å; F113-F249 HydrophobicContact CG-CE2 4.25Å; F113-F249 AromaticContact CG-CG 3.75Å; F113-F249 HydrophobicContact CG-CG 3.75Å; F113-F249 HydrophobicContact CG-CZ 4.05Å; F113-F249 HydrophobicContact CZ-CB 3.92Å; F113-F249 HydrophobicContact CZ-CD1 4.21Å; F113-F249 HydrophobicContact CZ-CG 4.21Å; F113-F249 WeakPolarHBondContact O-CZ 3.23Å
114	A	97.6	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-45.4	175.4	0	0	0	0	0	112.1	I101 Y103 A110 K111 G112 L117 S118 V130 L155	I101-A114 HydrophobicContact CG2-CB 3.73Å; Y103-A114 HydrophobicContact CD1-CB 4.02Å; Y103-A114 HydrophobicContact CG-CB 4.45Å; A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.05Å; K111-A114 WeakPolarHBondContact O-CB 3.22Å; K111-A114 PolarHBondContact O-N 3.14Å; G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 3.34Å; A114-L117 PolarHBondContact O-N 3.2Å; A114-S118 WeakPolarHBondContact O-CB 3.45Å; A114-S118 PolarHBondContact O-N 3.28Å; A114-V130 HydrophobicContact CB-CG1 3.78Å; A114-V130 HydrophobicContact CB-CG2 4.49Å; A114-L155 HydrophobicContact CB-CD1 3.92Å
115	S	97.3	Very high	94.4	Very high	52 Å²	52	51.5 Å²	51.5	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-44.7	174.4	-61.3	0	0	0	0	112.3	K111 G112 L117 S118 Q119	K111-S115 PolarHBondContact O-N 2.89Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 3.12Å; G112-S115 PolarHBondContact O-N 3.22Å; S115-L117 PolarHBondContact O-N 2.73Å; S115-S118 PolarHBondContact O-N 2.72Å; S115-Q119 WeakPolarHBondContact O-CG 3.23Å; S115-Q119 PolarHBondContact O-N 3.37Å; S115-Q119 VanDerWaalsContact O-N 3.08Å
116	E	97.3	Very high	94.3	Very high	58 Å²	58	51.5 Å²	51.5	27%	0.271	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.2	-172.8	-172.8	161	0	0	111.8	G112 E120 K253	G112-E116 WeakPolarHBondContact O-CB 3.39Å; G112-E116 PolarHBondContact O-N 2.97Å; E116-E120 PolarHBondContact O-N 3.13Å; E116-K253 IonicContact OE1-NZ 3.54Å; E116-K253 PolarHBondContact OE1-NZ 2.97Å
117	L	97.1	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-40.9	175.3	178	62.7	0	0	0	112	I101 F113 A114 S115 E120 V121 V153 F249 K253 F256 L257	I101-L117 HydrophobicContact CD1-CB 4.11Å; I101-L117 HydrophobicContact CD1-CD2 3.92Å; I101-L117 HydrophobicContact CD1-CG 3.76Å; I101-L117 HydrophobicContact CG1-CD2 4.17Å; I101-L117 HydrophobicContact CG2-CD2 4.14Å; F113-L117 VanDerWaalsContact O-CB 3.31Å; F113-L117 WeakPolarHBondContact O-CB 3.38Å; F113-L117 PolarHBondContact O-N 3.02Å; A114-L117 PolarHBondContact O-N 3.2Å; S115-L117 PolarHBondContact O-N 2.73Å; L117-E120 PolarHBondContact O-N 3.26Å; L117-V121 HydrophobicContact CD1-CG2 4.02Å; L117-V121 HydrophobicContact CG-CG2 4.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 3.28Å; L117-V153 HydrophobicContact CD2-CB 4.35Å; L117-V153 HydrophobicContact CD2-CG1 3.8Å; L117-V153 HydrophobicContact CD2-CG2 4.36Å; L117-F249 HydrophobicContact CB-CZ 4.27Å; L117-K253 HydrophobicContact CD1-CD 4.46Å; L117-K253 HydrophobicContact CD1-CG 4.03Å; L117-F256 HydrophobicContact CD1-CD1 3.84Å; L117-F256 HydrophobicContact CD1-CE1 4.12Å; L117-F256 HydrophobicContact CD2-CE1 4.49Å; L117-L257 HydrophobicContact CD1-CD2 4.2Å
118	S	97.2	Very high	95.1	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-46.8	-179.7	-168.2	0	0	0	0	111.8	A114 S115 E120 V121 Q122 A128 V130	A114-S118 WeakPolarHBondContact O-CB 3.45Å; A114-S118 PolarHBondContact O-N 3.28Å; S115-S118 PolarHBondContact O-N 2.72Å; S118-E120 PolarHBondContact O-N 3.12Å; S118-V121 PolarHBondContact O-N 3.03Å; S118-Q122 WeakPolarHBondContact O-CB 3.46Å; S118-Q122 VanDerWaalsContact O-CG 3.32Å; S118-Q122 WeakPolarHBondContact O-CG 3.49Å; S118-Q122 PolarHBondContact O-N 3.11Å; S118-Q122 PolarHBondContact OG-NE2 3.18Å; S118-A128 WeakPolarHBondContact OG-CB 3.48Å; S118-V130 VanDerWaalsContact CB-CG2 3.42Å
119	Q	96.6	Very high	95.3	Very high	134 Å²	134	49.8 Å²	49.8	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-59.1	-45.1	176.4	-70.1	173.7	-0.3	0	0	111.8	S115 V121 Q122 A123	S115-Q119 WeakPolarHBondContact O-CG 3.23Å; S115-Q119 PolarHBondContact O-N 3.37Å; S115-Q119 VanDerWaalsContact O-N 3.08Å; Q119-V121 PolarHBondContact O-N 2.82Å; Q119-Q122 PolarHBondContact O-N 3.49Å; Q119-A123 WeakPolarHBondContact O-CB 3.48Å; Q119-A123 PolarHBondContact O-N 2.9Å
120	E	96.1	Very high	95.4	Very high	74 Å²	74	50.1 Å²	50.1	35%	0.346	30%	0.299	S	S	.	.	H	α-helix	trans	-71.3	-26.1	178.4	-76.5	-174.4	-166.9	0	0	113.9	E116 L117 S118 L124 K253 L257	E116-E120 PolarHBondContact O-N 3.13Å; L117-E120 PolarHBondContact O-N 3.26Å; S118-E120 PolarHBondContact O-N 3.12Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-K253 WeakPolarHBondContact OE1-CE 3.33Å; E120-K253 IonicContact OE1-NZ 2.81Å; E120-K253 PolarHBondContact OE1-NZ 3.45Å; E120-K253 VanDerWaalsContact OE2-CD 3.31Å; E120-K253 WeakPolarHBondContact OE2-CD 3.29Å; E120-K253 WeakPolarHBondContact OE2-CE 3.37Å; E120-K253 IonicContact OE2-NZ 3.75Å; E120-K253 PolarHBondContact OE2-NZ 3.46Å; E120-L257 HydrophobicContact CB-CD1 3.8Å; E120-L257 HydrophobicContact CB-CD2 4.47Å; E120-L257 WeakPolarHBondContact OE2-CD1 3.49Å
121	V	95.2	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74.7	-42.9	171.5	173.5	0	0	0	0	111.2	V99 L117 S118 Q119 A123 L124 I126 A128 F256 L257 L260	V99-V121 HydrophobicContact CB-CG1 4.08Å; V99-V121 HydrophobicContact CG2-CG1 3.72Å; L117-V121 HydrophobicContact CD1-CG2 4.02Å; L117-V121 HydrophobicContact CG-CG2 4.29Å; L117-V121 WeakPolarHBondContact O-CG2 3.47Å; L117-V121 PolarHBondContact O-N 3.28Å; S118-V121 PolarHBondContact O-N 3.03Å; Q119-V121 PolarHBondContact O-N 2.82Å; V121-A123 VanDerWaalsContact C-N 3.26Å; V121-A123 PolarHBondContact O-N 2.93Å; V121-L124 WeakPolarHBondContact O-CA 3.48Å; V121-L124 VanDerWaalsContact O-CB 3.31Å; V121-L124 WeakPolarHBondContact O-CB 3.47Å; V121-L124 PolarHBondContact O-N 2.9Å; V121-I126 HydrophobicContact CG1-CB 3.86Å; V121-I126 HydrophobicContact CG1-CG2 3.94Å; V121-I126 PolarHBondContact O-N 3.16Å; V121-A128 HydrophobicContact CB-CB 3.94Å; V121-A128 HydrophobicContact CG1-CB 3.79Å; V121-F256 HydrophobicContact CG2-CE1 4.42Å; V121-L257 HydrophobicContact CG2-CD2 3.62Å; V121-L260 HydrophobicContact CB-CD2 4.5Å; V121-L260 HydrophobicContact CG1-CD2 3.89Å; V121-L260 HydrophobicContact CG2-CD2 3.88Å
122	Q	93.9	Very high	95.2	Very high	104 Å²	104	47.5 Å²	47.5	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-36.4	175	-71	173.5	4.1	0	0	111.3	S118 Q119 L124 G125 I126 A128	S118-Q122 WeakPolarHBondContact O-CB 3.46Å; S118-Q122 VanDerWaalsContact O-CG 3.32Å; S118-Q122 WeakPolarHBondContact O-CG 3.49Å; S118-Q122 PolarHBondContact O-N 3.11Å; S118-Q122 PolarHBondContact OG-NE2 3.18Å; Q119-Q122 PolarHBondContact O-N 3.49Å; Q122-L124 PolarHBondContact O-N 3.48Å; Q122-L124 VanDerWaalsContact O-N 3.12Å; Q122-G125 PolarHBondContact O-N 3.17Å; Q122-I126 WeakPolarHBondContact CA-O 3.21Å; Q122-A128 HydrophobicContact CG-CB 3.91Å; Q122-A128 PolarHBondContact NE2-O 3.28Å
123	A	93.2	Very high	95	Very high	85 Å²	85	45.7 Å²	45.7	70%	0.702	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.1	171.5	0	0	0	0	0	114.6	Q119 V121	Q119-A123 WeakPolarHBondContact O-CB 3.48Å; Q119-A123 PolarHBondContact O-N 2.9Å; V121-A123 VanDerWaalsContact C-N 3.26Å; V121-A123 PolarHBondContact O-N 2.93Å
124	L	90.2	Very high	94.5	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.251	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.9	168.1	-50.3	-171.9	0	0	0	113.4	E120 V121 Q122 I126 L257 L260 R261	E120-L124 WeakPolarHBondContact O-CG 3.42Å; V121-L124 WeakPolarHBondContact O-CA 3.48Å; V121-L124 VanDerWaalsContact O-CB 3.31Å; V121-L124 WeakPolarHBondContact O-CB 3.47Å; V121-L124 PolarHBondContact O-N 2.9Å; Q122-L124 PolarHBondContact O-N 3.48Å; Q122-L124 VanDerWaalsContact O-N 3.12Å; L124-I126 VanDerWaalsContact C-N 3.29Å; L124-I126 HydrophobicContact CB-CD1 4.29Å; L124-I126 HydrophobicContact CB-CG1 4.28Å; L124-L257 HydrophobicContact CD1-CD2 4.02Å; L124-L260 HydrophobicContact CD1-CD2 4.37Å; L124-R261 HydrophobicContact CD1-CG 3.81Å
125	G	90.4	Very high	93.8	Very high	71 Å²	71	58.1 Å²	58.1	73%	0.732	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	13.7	-171.2	0	0	0	0	0	114.2	Q122	Q122-G125 PolarHBondContact O-N 3.17Å
126	I	93.1	Very high	92.9	Very high	16 Å²	16	56 Å²	56	8%	0.082	31%	0.314	C	S	.	.			trans	-101.4	127	179.5	-59.6	174.6	0	0	0	108.7	V96 V99 V121 Q122 L124 A128 L260 A264	V96-I126 HydrophobicContact CG1-CG2 4.2Å; V99-I126 HydrophobicContact CG2-CG2 4.08Å; V121-I126 HydrophobicContact CG1-CB 3.86Å; V121-I126 HydrophobicContact CG1-CG2 3.94Å; V121-I126 PolarHBondContact O-N 3.16Å; Q122-I126 WeakPolarHBondContact CA-O 3.21Å; L124-I126 VanDerWaalsContact C-N 3.29Å; L124-I126 HydrophobicContact CB-CD1 4.29Å; L124-I126 HydrophobicContact CB-CG1 4.28Å; I126-A128 PolarHBondContact O-N 2.96Å; I126-L260 HydrophobicContact CD1-CD2 3.92Å; I126-L260 HydrophobicContact CD1-CG 3.87Å; I126-A264 HydrophobicContact CD1-CB 4.17Å
127	P	93.7	Very high	92	Very high	85 Å²	85	56 Å²	56	55%	0.552	32%	0.316	S	S	*	.			trans	-57.3	131.5	175.1	-25.1	34.6	0	0	0	111.6	G98 V99	G98-P127 CarbonylContact C-O 3.45Å; G98-P127 WeakPolarHBondContact CA-O 3.37Å; V99-P127 PolarHBondContact N-O 2.98Å
128	A	95.8	Very high	90.9	Very high	16 Å²	16	56 Å²	56	13%	0.132	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.6	176.8	0	0	0	0	0	112.2	V99 I101 S118 V121 Q122 I126	V99-A128 VanDerWaalsContact O-CA 3.3Å; V99-A128 WeakPolarHBondContact O-CA 3.46Å; I101-A128 HydrophobicContact CD1-CB 4.5Å; S118-A128 WeakPolarHBondContact OG-CB 3.48Å; V121-A128 HydrophobicContact CB-CB 3.94Å; V121-A128 HydrophobicContact CG1-CB 3.79Å; Q122-A128 HydrophobicContact CG-CB 3.91Å; Q122-A128 PolarHBondContact NE2-O 3.28Å; I126-A128 PolarHBondContact O-N 2.96Å
129	E	95.3	Very high	89.4	Confident	93 Å²	93	59.3 Å²	59.3	44%	0.435	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.6	-179.7	-171.5	-176.6	-172.2	0	0	109.3	V99 K100 I101 I131	V99-E129 PolarHBondContact O-N 3.28Å; K100-E129 WeakPolarHBondContact CD-OE2 3.3Å; K100-E129 WeakPolarHBondContact CE-OE2 3.41Å; K100-E129 HydrophobicContact CG-CB 4.37Å; K100-E129 IonicContact NZ-OE2 3.49Å; K100-E129 PolarHBondContact NZ-OE2 2.92Å; I101-E129 PolarHBondContact N-O 2.78Å; E129-I131 HydrophobicContact CG-CD1 4.12Å; E129-I131 HydrophobicContact CG-CG1 3.83Å
130	V	96.8	Very high	87.5	Confident	55 Å²	55	57.4 Å²	57.4	33%	0.333	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	175	177.1	0	0	0	0	108.7	I101 Y103 A114 S118	I101-V130 WeakPolarHBondContact O-CA 3.27Å; Y103-V130 HydrophobicContact CD1-CG1 3.8Å; Y103-V130 HydrophobicContact CE1-CG1 3.84Å; A114-V130 HydrophobicContact CB-CG1 3.78Å; A114-V130 HydrophobicContact CB-CG2 4.49Å; S118-V130 VanDerWaalsContact CB-CG2 3.42Å
131	I	95	Very high	86	Confident	17 Å²	17	60 Å²	60	9%	0.087	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.9	-168.4	-56	178	0	0	0	109.2	K100 I101 F102 Y103 E129 F136	K100-I131 HydrophobicContact CB-CD1 4.09Å; K100-I131 HydrophobicContact CD-CD1 4Å; K100-I131 HydrophobicContact CG-CD1 4.34Å; I101-I131 PolarHBondContact O-N 2.95Å; F102-I131 WeakPolarHBondContact CA-O 2.89Å; F102-I131 HydrophobicContact CD1-CB 3.86Å; F102-I131 HydrophobicContact CD1-CD1 4.23Å; F102-I131 HydrophobicContact CD1-CG2 3.78Å; F102-I131 HydrophobicContact CE1-CB 4.14Å; F102-I131 HydrophobicContact CE1-CD1 3.66Å; F102-I131 HydrophobicContact CE1-CG1 4.48Å; F102-I131 HydrophobicContact CE1-CG2 3.93Å; F102-I131 HydrophobicContact CZ-CD1 3.96Å; Y103-I131 WeakPolarHBondContact CD1-O 3.36Å; Y103-I131 PolarHBondContact N-O 2.87Å; E129-I131 HydrophobicContact CG-CD1 4.12Å; E129-I131 HydrophobicContact CG-CG1 3.83Å; I131-F136 HydrophobicContact CD1-CD2 4.4Å; I131-F136 HydrophobicContact CG2-CB 3.7Å; I131-F136 HydrophobicContact CG2-CD2 4.02Å; I131-F136 HydrophobicContact CG2-CG 4.14Å
132	D	93.4	Very high	85.1	Confident	29 Å²	29	60 Å²	60	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.6	167	-159.9	-52.9	0	0	0	108.9	Y103 K134 D135 N167	Y103-D132 HydrophobicContact CE1-CB 4.2Å; Y103-D132 HydrophobicContact CE2-CB 4.18Å; Y103-D132 WeakPolarHBondContact CE2-OD2 3.26Å; Y103-D132 WeakPolarHBondContact OH-CB 3.42Å; Y103-D132 VanDerWaalsContact OH-CG 3.25Å; Y103-D132 PolarHBondContact OH-OD2 3.33Å; D132-K134 PolarHBondContact O-N 3.2Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 WeakPolarHBondContact OD1-CB 3.38Å; D132-K134 PolarHBondContact OD1-N 2.85Å; D132-D135 HydrophobicContact CB-CB 4.48Å; D132-D135 PolarHBondContact O-N 2.82Å; D132-D135 VanDerWaalsContact O-N 3.08Å; D132-N167 WeakPolarHBondContact OD1-CB 3.27Å; D132-N167 PolarHBondContact OD1-ND2 2.89Å
133	M	92.3	Very high	84	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.4	177.7	-76.4	-179.6	166.5	0	0	113.7	F102 Y103 F154 V156 N167 A168 F171	F102-M133 HydrophobicContact CB-CE 3.68Å; F102-M133 HydrophobicContact CB-CG 4.13Å; Y103-M133 WeakPolarHBondContact O-CG 3.47Å; Y103-M133 PolarHBondContact O-N 3.08Å; M133-F154 HydrophobicContact CE-CB 4.34Å; M133-F154 HydrophobicContact CE-CD1 3.63Å; M133-F154 HydrophobicContact CE-CE1 4.48Å; M133-F154 HydrophobicContact CE-CG 4.47Å; M133-V156 HydrophobicContact CE-CG1 3.43Å; M133-V156 VanDerWaalsContact CE-CG1 3.43Å; M133-V156 HydrophobicContact SD-CG1 3.74Å; M133-N167 CarbonylContact C-O 3.32Å; M133-N167 VanDerWaalsContact CB-O 3.23Å; M133-N167 WeakPolarHBondContact CB-O 3.24Å; M133-A168 HydrophobicContact CB-CB 4.21Å; M133-A168 HydrophobicContact SD-CB 3.56Å; M133-A168 VanDerWaalsContact SD-CB 3.56Å; M133-F171 HydrophobicContact CB-CB 4.18Å; M133-F171 HydrophobicContact CE-CD1 3.87Å; M133-F171 HydrophobicContact CE-CE1 3.95Å; M133-F171 HydrophobicContact CG-CB 4.43Å; M133-F171 HydrophobicContact CG-CD1 4.46Å; M133-F171 HydrophobicContact CG-CG 4.29Å; M133-F171 HydrophobicContact SD-CB 4.47Å; M133-F171 HydrophobicContact SD-CD1 4.03Å; M133-F171 HydrophobicContact SD-CG 4.35Å
134	K	86.6	Confident	83.1	Confident	159 Å²	159	57.9 Å²	57.9	69%	0.691	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-32.7	175.7	-176.2	-177.4	173.6	-170.6	0	112.7	D132 F136 N167	D132-K134 PolarHBondContact O-N 3.2Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 WeakPolarHBondContact OD1-CB 3.38Å; D132-K134 PolarHBondContact OD1-N 2.85Å; K134-F136 VanDerWaalsContact C-N 3.35Å; K134-N167 WeakPolarHBondContact CA-O 3.42Å; K134-N167 HydrophobicContact CB-CB 4.16Å; K134-N167 PolarHBondContact N-O 2.96Å
135	D	82.6	Confident	82.6	Confident	115 Å²	115	56.4 Å²	56.4	62%	0.615	31%	0.31	S	S	*	.	S	Bend	trans	-97.2	8.5	-172.3	-55.3	-34.6	0	0	0	112.1	D132	D132-D135 HydrophobicContact CB-CB 4.48Å; D132-D135 PolarHBondContact O-N 2.82Å; D132-D135 VanDerWaalsContact O-N 3.08Å
136	F	79.7	Confident	81.9	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.039	28%	0.283	C	S	.	.			trans	-122.3	111.4	-178.5	-172.6	-92.8	0	0	0	111.7	F102 I131 K134 P138 R141 L142 F171	F102-F136 HydrophobicContact CD1-CD1 4.32Å; F102-F136 HydrophobicContact CD1-CG 4.28Å; F102-F136 HydrophobicContact CE1-CB 4.43Å; F102-F136 AromaticContact CE1-CD1 3.7Å; F102-F136 HydrophobicContact CE1-CD1 3.7Å; F102-F136 AromaticContact CE1-CD2 3.68Å; F102-F136 HydrophobicContact CE1-CD2 3.68Å; F102-F136 AromaticContact CE1-CE1 3.72Å; F102-F136 HydrophobicContact CE1-CE1 3.72Å; F102-F136 AromaticContact CE1-CE2 3.71Å; F102-F136 HydrophobicContact CE1-CE2 3.71Å; F102-F136 AromaticContact CE1-CG 3.67Å; F102-F136 HydrophobicContact CE1-CG 3.67Å; F102-F136 AromaticContact CE1-CZ 3.72Å; F102-F136 HydrophobicContact CE1-CZ 3.72Å; F102-F136 HydrophobicContact CZ-CD2 4.49Å; F102-F136 HydrophobicContact CZ-CE1 4.16Å; F102-F136 HydrophobicContact CZ-CE2 4.08Å; F102-F136 AromaticContact CZ-CZ 3.9Å; F102-F136 HydrophobicContact CZ-CZ 3.9Å; I131-F136 HydrophobicContact CD1-CD2 4.4Å; I131-F136 HydrophobicContact CG2-CB 3.7Å; I131-F136 HydrophobicContact CG2-CD2 4.02Å; I131-F136 HydrophobicContact CG2-CG 4.14Å; K134-F136 VanDerWaalsContact C-N 3.35Å; F136-P138 HydrophobicContact CE1-CB 4.32Å; F136-P138 VanDerWaalsContact O-CD 3.3Å; F136-P138 WeakPolarHBondContact O-CD 3.46Å; F136-R141 HydrophobicContact CE1-CB 4.22Å; F136-R141 HydrophobicContact CE2-CB 3.7Å; F136-R141 HydrophobicContact CE2-CG 4.41Å; F136-R141 HydrophobicContact CZ-CB 3.5Å; F136-L142 HydrophobicContact CE1-CB 4.41Å; F136-L142 HydrophobicContact CE1-CD1 4.36Å; F136-F171 HydrophobicContact CD1-CD2 4.19Å; F136-F171 AromaticContact CD1-CE2 3.88Å; F136-F171 HydrophobicContact CD1-CE2 3.88Å; F136-F171 HydrophobicContact CE1-CE2 4.08Å
137	D	77.1	Confident	80.8	Confident	57 Å²	57	59.7 Å²	59.7	31%	0.305	32%	0.318	S	S	.	.			trans	-81	112.9	170.2	-167.9	-17	0	0	0	110	D139 R141	D137-D139 VanDerWaalsContact C-N 3.35Å; D137-D139 WeakPolarHBondContact OD1-CB 3.45Å; D137-D139 PolarHBondContact OD1-N 2.78Å; D137-D139 VanDerWaalsContact OD1-N 3.1Å; D137-R141 WeakPolarHBondContact O-CB 3.25Å; D137-R141 PolarHBondContact O-N 2.71Å
138	P	74.8	Confident	79.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-73.4	-23.3	-179.1	31.4	-36.7	0	0	0	113.9	F136 L142 F171 W174	F136-P138 HydrophobicContact CE1-CB 4.32Å; F136-P138 VanDerWaalsContact O-CD 3.3Å; F136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-L142 HydrophobicContact CB-CB 4.21Å; P138-L142 HydrophobicContact CB-CD2 4.49Å; P138-L142 VanDerWaalsContact O-CB 3.25Å; P138-L142 WeakPolarHBondContact O-CB 3.16Å; P138-L142 PolarHBondContact O-N 3.15Å; P138-F171 HydrophobicContact CB-CD2 4.01Å; P138-F171 HydrophobicContact CB-CE2 3.82Å; P138-F171 HydrophobicContact CG-CD2 4.09Å; P138-F171 HydrophobicContact CG-CE2 4.41Å; P138-W174 HydrophobicContact CB-CD2 3.74Å; P138-W174 HydrophobicContact CB-CE3 3.54Å; P138-W174 HydrophobicContact CB-CG 4.42Å; P138-W174 HydrophobicContact CB-CH2 3.99Å; P138-W174 HydrophobicContact CB-CZ2 4.16Å; P138-W174 HydrophobicContact CB-CZ3 3.68Å; P138-W174 HydrophobicContact CG-CB 3.95Å; P138-W174 HydrophobicContact CG-CD2 3.36Å; P138-W174 HydrophobicContact CG-CE3 3.57Å; P138-W174 HydrophobicContact CG-CG 3.52Å; P138-W174 HydrophobicContact CG-CZ2 4.49Å; P138-W174 HydrophobicContact CG-CZ3 4.24Å
139	D	65.8	Low	79.2	Confident	78 Å²	78	61.3 Å²	61.3	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-47	-172.8	-150.8	55.3	0	0	0	110.8	D137 W174 Y184	D137-D139 VanDerWaalsContact C-N 3.35Å; D137-D139 WeakPolarHBondContact OD1-CB 3.45Å; D137-D139 PolarHBondContact OD1-N 2.78Å; D137-D139 VanDerWaalsContact OD1-N 3.1Å; D139-W174 PolarHBondContact OD1-NE1 2.68Å; D139-Y184 PolarHBondContact OD1-OH 3.43Å
140	D	56.2	Low	79	Confident	95 Å²	95	57.2 Å²	57.2	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-82.9	-25.3	176.9	-82.8	-40.3	0	0	0	113	K557	D140-K557 IonicContact OD2-NZ 3.36Å; D140-K557 PolarHBondContact OD2-NZ 3.14Å
141	R	65.2	Low	78.9	Confident	128 Å²	128	54.6 Å²	54.6	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-116	-24.9	-166.1	-58.6	-178.9	178.6	170.5	2.8	117.5	F136 D137 A143 D144	F136-R141 HydrophobicContact CE1-CB 4.22Å; F136-R141 HydrophobicContact CE2-CB 3.7Å; F136-R141 HydrophobicContact CE2-CG 4.41Å; F136-R141 HydrophobicContact CZ-CB 3.5Å; D137-R141 WeakPolarHBondContact O-CB 3.25Å; D137-R141 PolarHBondContact O-N 2.71Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.12Å; R141-D144 PolarHBondContact O-N 3.27Å
142	L	75.6	Confident	78.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.8	-175.1	-164.3	65.8	0	0	0	112.4	F136 P138 F154 F171 W174 L189 L192 L219	F136-L142 HydrophobicContact CE1-CB 4.41Å; F136-L142 HydrophobicContact CE1-CD1 4.36Å; P138-L142 HydrophobicContact CB-CB 4.21Å; P138-L142 HydrophobicContact CB-CD2 4.49Å; P138-L142 VanDerWaalsContact O-CB 3.25Å; P138-L142 WeakPolarHBondContact O-CB 3.16Å; P138-L142 PolarHBondContact O-N 3.15Å; L142-F154 HydrophobicContact CD1-CZ 4.45Å; L142-F171 HydrophobicContact CD2-CZ 4.43Å; L142-W174 HydrophobicContact CB-CH2 4.44Å; L142-W174 HydrophobicContact CD2-CH2 4.03Å; L142-W174 HydrophobicContact CD2-CZ3 3.73Å; L142-L189 HydrophobicContact CD2-CD1 3.93Å; L142-L189 HydrophobicContact CD2-CD2 4.16Å; L142-L189 HydrophobicContact CG-CD2 4.1Å; L142-L192 HydrophobicContact CD1-CD1 4.28Å; L142-L192 HydrophobicContact CD1-CD2 4.24Å; L142-L192 HydrophobicContact CD2-CD2 4.45Å; L142-L192 HydrophobicContact CG-CD2 4.25Å; L142-L219 HydrophobicContact CD2-CD2 4.49Å
143	A	71.3	Confident	79.1	Confident	34 Å²	34	52.4 Å²	52.4	28%	0.281	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.5	173.9	0	0	0	0	0	112.8	R141 E145 C146 F188	R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.12Å; A143-E145 VanDerWaalsContact C-N 3.27Å; A143-E145 PolarHBondContact O-N 2.86Å; A143-C146 WeakPolarHBondContact O-CB 3.44Å; A143-C146 PolarHBondContact O-N 3.43Å; A143-F188 HydrophobicContact CB-CZ 4.33Å
144	D	74.2	Confident	79.4	Confident	110 Å²	110	52.4 Å²	52.4	59%	0.588	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.6	-34.6	178.6	-70.9	-18.3	0	0	0	111.8	R141 C146 V147 S148	R141-D144 PolarHBondContact O-N 3.27Å; D144-C146 PolarHBondContact O-N 3.14Å; D144-C146 VanDerWaalsContact O-N 3.12Å; D144-V147 PolarHBondContact O-N 3.17Å; D144-S148 PolarHBondContact O-N 3.42Å
145	E	79.5	Confident	79.9	Confident	17 Å²	17	44.8 Å²	44.8	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-70.2	-1.1	173.9	-57.4	-58.8	161.3	0	0	113.9	K100 A143 S148 S150 L192	K100-E145 VanDerWaalsContact CD-OE1 3.3Å; K100-E145 WeakPolarHBondContact CD-OE1 3.46Å; K100-E145 WeakPolarHBondContact CE-OE1 2.99Å; K100-E145 IonicContact NZ-OE1 3.83Å; K100-E145 PolarHBondContact NZ-OE1 2.93Å; A143-E145 VanDerWaalsContact C-N 3.27Å; A143-E145 PolarHBondContact O-N 2.86Å; E145-S148 PolarHBondContact OE2-OG 2.77Å; E145-S150 VanDerWaalsContact OE2-CB 3.29Å; E145-S150 WeakPolarHBondContact OE2-CB 3.49Å; E145-S150 PolarHBondContact OE2-OG 3.27Å; E145-L192 HydrophobicContact CB-CD1 3.51Å; E145-L192 WeakPolarHBondContact O-CD1 3.22Å
146	C	75.6	Confident	80.6	Confident	25 Å²	25	39.3 Å²	39.3	17%	0.169	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-85.7	-22.4	167.7	-56.5	0	0	0	0	112.9	A143 D144 L189 G191	A143-C146 WeakPolarHBondContact O-CB 3.44Å; A143-C146 PolarHBondContact O-N 3.43Å; D144-C146 PolarHBondContact O-N 3.14Å; D144-C146 VanDerWaalsContact O-N 3.12Å; C146-L189 VanDerWaalsContact SG-CA 3.57Å; C146-G191 WeakPolarHBondContact O-CA 3.27Å
147	V	71.4	Confident	81.4	Confident	132 Å²	132	39.7 Å²	39.7	80%	0.8	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-32.2	177.4	-174.3	0	0	0	0	110.7	D144	D144-V147 PolarHBondContact O-N 3.17Å
148	S	73.6	Confident	82.2	Confident	42 Å²	42	38.1 Å²	38.1	29%	0.294	21%	0.207	S	C	.	.	S	Bend	trans	-60.6	147.8	173.8	97.1	0	0	0	0	111.2	D144 E145 S150	D144-S148 PolarHBondContact O-N 3.42Å; E145-S148 PolarHBondContact OE2-OG 2.77Å; S148-S150 PolarHBondContact O-N 3.26Å; S148-S150 WeakPolarHBondContact OG-CB 3.37Å; S148-S150 PolarHBondContact OG-N 2.72Å; S148-S150 VanDerWaalsContact OG-N 3.11Å; S148-S150 PolarHBondContact OG-OG 3.09Å
149	K	82.4	Confident	82.8	Confident	93 Å²	93	43.5 Å²	43.5	40%	0.404	23%	0.228	S	C	.	.	S	Bend	trans	-82.2	33.6	168.7	-64.4	-171.9	-174.9	173.5	0	111	D93 V94 V96 S97 R193	D93-K149 IonicContact OD1-NZ 2.68Å; D93-K149 PolarHBondContact OD1-NZ 3.43Å; V94-K149 WeakPolarHBondContact O-CD 3.46Å; V94-K149 WeakPolarHBondContact O-CE 3.34Å; V94-K149 PolarHBondContact O-NZ 2.88Å; V96-K149 CarbonylContact C-O 3.57Å; V96-K149 WeakPolarHBondContact CA-O 3.36Å; S97-K149 PolarHBondContact N-O 2.74Å; S97-K149 PolarHBondContact OG-O 3.22Å; K149-R193 VanDerWaalsContact C-NH2 3.29Å; K149-R193 PolarHBondContact O-NH2 2.73Å
150	S	90.1	Very high	83.7	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-176.7	179	84.1	0	0	0	0	113.2	S97 G98 E145 S148 R193	S97-S150 PolarHBondContact OG-N 3.38Å; G98-S150 CarbonylContact O-C 3.5Å; G98-S150 VanDerWaalsContact O-CA 3.26Å; G98-S150 WeakPolarHBondContact O-CA 3.45Å; E145-S150 VanDerWaalsContact OE2-CB 3.29Å; E145-S150 WeakPolarHBondContact OE2-CB 3.49Å; E145-S150 PolarHBondContact OE2-OG 3.27Å; S148-S150 PolarHBondContact O-N 3.26Å; S148-S150 WeakPolarHBondContact OG-CB 3.37Å; S148-S150 PolarHBondContact OG-N 2.72Å; S148-S150 VanDerWaalsContact OG-N 3.11Å; S148-S150 PolarHBondContact OG-OG 3.09Å; S150-R193 VanDerWaalsContact O-CZ 3.32Å; S150-R193 PolarHBondContact O-NE 3.16Å; S150-R193 PolarHBondContact O-NH2 2.98Å
151	V	94.4	Very high	85.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127	162.3	178.7	0	0	0	0	108.5	V96 G98 V99 K100 R193 V227 F256 L260	V96-V151 HydrophobicContact CG1-CG2 4.24Å; G98-V151 PolarHBondContact O-N 3.38Å; V99-V151 CarbonylContact C-O 3.58Å; V99-V151 VanDerWaalsContact CA-O 3.27Å; V99-V151 WeakPolarHBondContact CA-O 3.34Å; V99-V151 WeakPolarHBondContact CG1-O 3.47Å; V99-V151 HydrophobicContact CG2-CB 4.45Å; K100-V151 PolarHBondContact N-O 2.99Å; V151-R193 CarbonylContact C-O 3.59Å; V151-R193 WeakPolarHBondContact CA-O 3.49Å; V151-R193 HydrophobicContact CG2-CB 4.31Å; V151-V227 HydrophobicContact CG1-CG1 4.48Å; V151-V227 HydrophobicContact CG1-CG2 4.04Å; V151-F256 HydrophobicContact CG1-CE2 4.26Å; V151-F256 HydrophobicContact CG1-CZ 4.23Å; V151-L260 HydrophobicContact CG2-CD1 4.15Å
152	C	95.9	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.9	175.7	-59.9	0	0	0	0	111.2	K100 F102 F154 L192 R193 Y194 A195	K100-C152 CarbonylContact O-C 3.58Å; K100-C152 WeakPolarHBondContact O-CA 3.32Å; F102-C152 HydrophobicContact CD2-CB 4.44Å; F102-C152 HydrophobicContact CE2-CB 3.91Å; C152-F154 HydrophobicContact CB-CE2 3.8Å; C152-F154 HydrophobicContact CB-CZ 3.83Å; C152-L192 HydrophobicContact CB-CD1 4.44Å; C152-L192 VanDerWaalsContact SG-CD1 3.57Å; C152-R193 PolarHBondContact N-O 3.35Å; C152-Y194 CarbonylContact O-C 3.13Å; C152-Y194 VanDerWaalsContact O-CA 3.24Å; C152-Y194 WeakPolarHBondContact O-CA 3.21Å; C152-A195 PolarHBondContact O-N 3.03Å
153	V	97.8	Very high	86.9	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.4	176.2	-179.8	0	0	0	0	108.9	V99 K100 I101 F102 L117 L155 A195 W252 F256	V99-V153 HydrophobicContact CG1-CG2 3.84Å; K100-V153 PolarHBondContact O-N 3.19Å; I101-V153 CarbonylContact C-O 3.57Å; I101-V153 WeakPolarHBondContact CA-O 3.38Å; I101-V153 HydrophobicContact CG1-CB 4.35Å; I101-V153 HydrophobicContact CG2-CB 4.36Å; I101-V153 HydrophobicContact CG2-CG1 4.41Å; F102-V153 PolarHBondContact N-O 2.78Å; L117-V153 HydrophobicContact CD2-CB 4.35Å; L117-V153 HydrophobicContact CD2-CG1 3.8Å; L117-V153 HydrophobicContact CD2-CG2 4.36Å; V153-L155 HydrophobicContact CG1-CD2 3.69Å; V153-L155 HydrophobicContact CG1-CG 4.11Å; V153-A195 WeakPolarHBondContact CA-O 3.5Å; V153-W252 HydrophobicContact CG1-CH2 3.83Å; V153-F256 HydrophobicContact CG2-CE1 4.03Å; V153-F256 HydrophobicContact CG2-CE2 3.69Å; V153-F256 HydrophobicContact CG2-CZ 3.33Å
154	F	97.8	Very high	88	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.6	180	-57.8	-77.2	0	0	0	109.8	F102 M133 L142 C152 F171 Y194 A195 V196 F197 V215 L219	F102-F154 HydrophobicContact CB-CD1 3.7Å; F102-F154 HydrophobicContact CB-CE1 4Å; F102-F154 AromaticContact CD2-CD1 3.75Å; F102-F154 HydrophobicContact CD2-CD1 3.75Å; F102-F154 AromaticContact CD2-CE1 3.31Å; F102-F154 HydrophobicContact CD2-CE1 3.31Å; F102-F154 AromaticContact CD2-CZ 3.94Å; F102-F154 HydrophobicContact CD2-CZ 3.94Å; F102-F154 AromaticContact CE2-CE1 3.88Å; F102-F154 HydrophobicContact CE2-CE1 3.88Å; F102-F154 HydrophobicContact CE2-CZ 4.14Å; F102-F154 AromaticContact CG-CD1 3.94Å; F102-F154 HydrophobicContact CG-CD1 3.94Å; F102-F154 AromaticContact CG-CE1 3.7Å; F102-F154 HydrophobicContact CG-CE1 3.7Å; M133-F154 HydrophobicContact CE-CB 4.34Å; M133-F154 HydrophobicContact CE-CD1 3.63Å; M133-F154 HydrophobicContact CE-CE1 4.48Å; M133-F154 HydrophobicContact CE-CG 4.47Å; L142-F154 HydrophobicContact CD1-CZ 4.45Å; C152-F154 HydrophobicContact CB-CE2 3.8Å; C152-F154 HydrophobicContact CB-CZ 3.83Å; F154-F171 HydrophobicContact CD1-CE1 4.02Å; F154-F171 HydrophobicContact CD1-CZ 4.15Å; F154-F171 AromaticContact CE1-CE1 3.78Å; F154-F171 HydrophobicContact CE1-CE1 3.78Å; F154-F171 HydrophobicContact CE1-CE2 4.48Å; F154-F171 AromaticContact CE1-CZ 3.45Å; F154-F171 HydrophobicContact CE1-CZ 3.45Å; F154-F171 VanDerWaalsContact CE1-CZ 3.45Å; F154-F171 HydrophobicContact CZ-CZ 4.19Å; F154-Y194 HydrophobicContact CD2-CD2 4.42Å; F154-A195 PolarHBondContact N-O 3.37Å; F154-V196 HydrophobicContact CB-CG1 4.4Å; F154-V196 HydrophobicContact CB-CG2 4.25Å; F154-V196 HydrophobicContact CD2-CG2 4.26Å; F154-V196 CarbonylContact O-C 3.5Å; F154-V196 WeakPolarHBondContact O-CA 3.48Å; F154-F197 PolarHBondContact O-N 2.94Å; F154-V215 HydrophobicContact CB-CG1 4.26Å; F154-V215 HydrophobicContact CG-CG1 4.3Å; F154-L219 HydrophobicContact CD2-CD1 3.61Å; F154-L219 HydrophobicContact CE2-CD1 3.46Å; F154-L219 VanDerWaalsContact CE2-CD1 3.46Å; F154-L219 HydrophobicContact CE2-CD2 4.4Å; F154-L219 HydrophobicContact CG-CD1 4.46Å; F154-L219 HydrophobicContact CZ-CD1 4.23Å
155	L	97.9	Very high	88.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	95.6	177.8	-53.2	-175.5	0	0	0	108.5	I101 F102 Y103 G104 A110 F113 A114 V153 F197 F249 W252	I101-L155 HydrophobicContact CG2-CD1 3.86Å; I101-L155 HydrophobicContact CG2-CG 4.18Å; F102-L155 PolarHBondContact O-N 2.81Å; Y103-L155 VanDerWaalsContact CA-O 3.31Å; Y103-L155 WeakPolarHBondContact CA-O 3.49Å; G104-L155 PolarHBondContact N-O 2.87Å; A110-L155 HydrophobicContact CB-CB 4.43Å; F113-L155 HydrophobicContact CB-CD1 4.02Å; A114-L155 HydrophobicContact CB-CD1 3.92Å; V153-L155 HydrophobicContact CG1-CD2 3.69Å; V153-L155 HydrophobicContact CG1-CG 4.11Å; L155-F197 WeakPolarHBondContact CA-O 3.4Å; L155-F197 HydrophobicContact CD2-CB 3.62Å; L155-F249 HydrophobicContact CD1-CE2 4.39Å; L155-F249 HydrophobicContact CD2-CE2 4.3Å; L155-W252 HydrophobicContact CD2-CH2 4.33Å; L155-W252 HydrophobicContact CD2-CZ3 4.24Å
156	V	97.3	Very high	89.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.5	-167	-71.1	0	0	0	0	112.7	M133 V196 F197 G198 L199 V211	M133-V156 HydrophobicContact CE-CG1 3.43Å; M133-V156 VanDerWaalsContact CE-CG1 3.43Å; M133-V156 HydrophobicContact SD-CG1 3.74Å; V156-V196 HydrophobicContact CG2-CG1 4.3Å; V156-F197 PolarHBondContact N-O 3.18Å; V156-G198 WeakPolarHBondContact O-CA 3.46Å; V156-L199 PolarHBondContact O-N 3.49Å; V156-V211 HydrophobicContact CB-CG1 4.07Å; V156-V211 HydrophobicContact CG2-CG1 4.16Å
157	A	96.1	Very high	90.1	Very high	17 Å²	17	47 Å²	47	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.1	170.3	0	0	0	0	0	111.8	G104 T165 L199	G104-A157 PolarHBondContact O-N 3.31Å; A157-T165 HydrophobicContact CB-CG2 3.87Å; A157-L199 WeakPolarHBondContact CA-O 3.3Å; A157-L199 HydrophobicContact CB-CB 4.18Å
158	T	93.2	Very high	91.2	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.147	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-87.1	133.6	165	-54.3	0	0	0	0	108.9	L199 H207 T210 V211	T158-L199 PolarHBondContact N-O 2.91Å; T158-H207 WeakPolarHBondContact CG2-O 3.38Å; T158-T210 PolarHBondContact OG1-N 3.08Å; T158-V211 HydrophobicContact CG2-CG2 4.01Å; T158-V211 PolarHBondContact OG1-N 2.91Å
159	Y	88.4	Confident	92	Very high	112 Å²	112	43.9 Å²	43.9	44%	0.439	21%	0.213	S	C	.	.			trans	-112.5	-162.7	-179.9	-154.9	-117.6	0	0	0	110.8	Q106 D161 G162 R163	Q106-Y159 HydrophobicContact CB-CD2 4.04Å; Q106-Y159 HydrophobicContact CB-CE2 3.87Å; Q106-Y159 HydrophobicContact CG-CD2 4.26Å; Q106-Y159 HydrophobicContact CG-CE2 3.72Å; Y159-D161 PolarHBondContact O-N 2.65Å; Y159-G162 PolarHBondContact O-N 3.19Å; Y159-R163 PolarHBondContact N-O 3.47Å
160	T	83.3	Confident	92.1	Very high	79 Å²	79	46 Å²	46	49%	0.485	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-46.5	135.4	-179.1	49.9	0	0	0	0	112.5	G162 R163	T160-G162 PolarHBondContact O-N 3.38Å; T160-G162 VanDerWaalsContact O-N 3.14Å; T160-R163 VanDerWaalsContact O-CB 3.27Å; T160-R163 WeakPolarHBondContact O-CB 3.39Å; T160-R163 VanDerWaalsContact O-CG 3.31Å; T160-R163 WeakPolarHBondContact O-CG 3.32Å; T160-R163 PolarHBondContact O-N 2.86Å
161	D	85.3	Confident	92.2	Very high	112 Å²	112	45.7 Å²	45.7	60%	0.599	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	54.2	30.4	177.5	-41.4	-32.6	0	0	0	114.4	Y159 R163 H207	Y159-D161 PolarHBondContact O-N 2.65Å; D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 2.87Å; D161-H207 PolarHBondContact O-CE1 3.2Å; D161-H207 PolarHBondContact O-ND1 2.91Å
162	G	88.4	Confident	92.1	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	77.5	5.1	179.8	0	0	0	0	0	114.8	Y159 T160 H207 V211	Y159-G162 PolarHBondContact O-N 3.19Å; T160-G162 PolarHBondContact O-N 3.38Å; T160-G162 VanDerWaalsContact O-N 3.14Å; G162-H207 PolarHBondContact N-ND1 3.24Å; G162-V211 WeakPolarHBondContact O-CG2 3.29Å
163	R	91.9	Very high	91.8	Very high	154 Å²	154	50.8 Å²	50.8	58%	0.581	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-74.8	156.6	-175.4	-61.5	-177.4	-171	-147.2	2.6	112.6	Y159 T160 D161 V211	Y159-R163 PolarHBondContact N-O 3.47Å; T160-R163 VanDerWaalsContact O-CB 3.27Å; T160-R163 WeakPolarHBondContact O-CB 3.39Å; T160-R163 VanDerWaalsContact O-CG 3.31Å; T160-R163 WeakPolarHBondContact O-CG 3.32Å; T160-R163 PolarHBondContact O-N 2.86Å; D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 2.87Å; R163-V211 VanDerWaalsContact C-CG2 3.45Å; R163-V211 VanDerWaalsContact O-CG2 3.31Å; R163-V211 WeakPolarHBondContact O-CG2 3.35Å
164	P	94.1	Very high	91.4	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-60.7	159.5	167.1	27.7	-35.9	0	0	0	112.2	A168 E169 C172 V211	P164-A168 HydrophobicContact CB-CB 4.33Å; P164-E169 HydrophobicContact CG-CB 4.24Å; P164-E169 HydrophobicContact CG-CG 4.35Å; P164-C172 HydrophobicContact CB-CB 4.07Å; P164-C172 HydrophobicContact CG-CB 4.13Å; P164-V211 HydrophobicContact CB-CG1 4.28Å; P164-V211 HydrophobicContact CB-CG2 4.39Å
165	T	93.1	Very high	91	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-69.5	155.6	167	48.9	0	0	0	0	110.5	G104 S105 Q106 A157 N167 A168 E169	G104-T165 WeakPolarHBondContact CA-OG1 3.4Å; S105-T165 PolarHBondContact N-OG1 3.12Å; S105-T165 VanDerWaalsContact N-OG1 3.1Å; Q106-T165 HydrophobicContact CB-CG2 3.91Å; A157-T165 HydrophobicContact CB-CG2 3.87Å; T165-N167 PolarHBondContact O-N 3.32Å; T165-N167 VanDerWaalsContact O-N 3.12Å; T165-N167 PolarHBondContact OG1-OD1 3.22Å; T165-N167 VanDerWaalsContact OG1-OD1 3.09Å; T165-A168 CarbonylContact O-C 3.58Å; T165-A168 WeakPolarHBondContact O-CA 3.45Å; T165-A168 PolarHBondContact O-N 2.91Å; T165-E169 PolarHBondContact O-N 2.71Å; T165-E169 VanDerWaalsContact O-N 3.09Å
166	Q	89.1	Confident	90.8	Very high	150 Å²	150	55.7 Å²	55.7	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.8	-171.7	-169.3	-177.2	24.8	0	0	113.1	Q106 A168	Q106-Q166 VanDerWaalsContact OE1-N 3.12Å; Q166-A168 VanDerWaalsContact C-N 3.28Å; Q166-A168 PolarHBondContact O-N 2.81Å
167	N	91.6	Very high	90.2	Very high	21 Å²	21	59.6 Å²	59.6	11%	0.112	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.5	177.6	85.6	-56.3	0	0	0	113.5	Y103 G104 S105 D132 M133 K134 T165	Y103-N167 PolarHBondContact O-ND2 2.97Å; G104-N167 WeakPolarHBondContact CA-OD1 3.27Å; S105-N167 PolarHBondContact N-OD1 3.09Å; D132-N167 WeakPolarHBondContact OD1-CB 3.27Å; D132-N167 PolarHBondContact OD1-ND2 2.89Å; M133-N167 CarbonylContact C-O 3.32Å; M133-N167 VanDerWaalsContact CB-O 3.23Å; M133-N167 WeakPolarHBondContact CB-O 3.24Å; K134-N167 WeakPolarHBondContact CA-O 3.42Å; K134-N167 HydrophobicContact CB-CB 4.16Å; K134-N167 PolarHBondContact N-O 2.96Å; T165-N167 PolarHBondContact O-N 3.32Å; T165-N167 VanDerWaalsContact O-N 3.12Å; T165-N167 PolarHBondContact OG1-OD1 3.22Å; T165-N167 VanDerWaalsContact OG1-OD1 3.09Å
168	A	93	Very high	89.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-4.5	-179.5	0	0	0	0	0	113.9	M133 P164 T165 Q166 W170 F171 C172	M133-A168 HydrophobicContact CB-CB 4.21Å; M133-A168 HydrophobicContact SD-CB 3.56Å; M133-A168 VanDerWaalsContact SD-CB 3.56Å; P164-A168 HydrophobicContact CB-CB 4.33Å; T165-A168 CarbonylContact O-C 3.58Å; T165-A168 WeakPolarHBondContact O-CA 3.45Å; T165-A168 PolarHBondContact O-N 2.91Å; Q166-A168 VanDerWaalsContact C-N 3.28Å; Q166-A168 PolarHBondContact O-N 2.81Å; A168-W170 PolarHBondContact O-N 2.92Å; A168-F171 PolarHBondContact O-N 2.62Å; A168-C172 WeakPolarHBondContact O-CB 3.45Å; A168-C172 PolarHBondContact O-N 2.8Å; A168-C172 PolarHBondContact O-SG 2.92Å
169	E	90.5	Very high	89.2	Confident	109 Å²	109	58.4 Å²	58.4	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-52.1	-173.2	-175.5	171.6	-155.8	0	0	112.8	P164 T165 C172 K173	P164-E169 HydrophobicContact CG-CB 4.24Å; P164-E169 HydrophobicContact CG-CG 4.35Å; T165-E169 PolarHBondContact O-N 2.71Å; T165-E169 VanDerWaalsContact O-N 3.09Å; E169-C172 PolarHBondContact O-N 3.15Å; E169-K173 WeakPolarHBondContact O-CB 3.31Å; E169-K173 PolarHBondContact O-N 3.32Å
170	W	85.6	Confident	88.8	Confident	137 Å²	137	58 Å²	58	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-48.6	176.5	173.9	-118.3	0	0	0	112.5	A168 C172 K173 W174	A168-W170 PolarHBondContact O-N 2.92Å; W170-C172 VanDerWaalsContact C-N 3.33Å; W170-C172 PolarHBondContact O-N 3.43Å; W170-K173 PolarHBondContact O-N 3.23Å; W170-W174 WeakPolarHBondContact O-CB 3.1Å; W170-W174 PolarHBondContact O-N 2.9Å
171	F	91.4	Very high	88.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-39.6	-178.4	-173	-87	0	0	0	112.3	M133 F136 P138 L142 F154 A168 L175	M133-F171 HydrophobicContact CB-CB 4.18Å; M133-F171 HydrophobicContact CE-CD1 3.87Å; M133-F171 HydrophobicContact CE-CE1 3.95Å; M133-F171 HydrophobicContact CG-CB 4.43Å; M133-F171 HydrophobicContact CG-CD1 4.46Å; M133-F171 HydrophobicContact CG-CG 4.29Å; M133-F171 HydrophobicContact SD-CB 4.47Å; M133-F171 HydrophobicContact SD-CD1 4.03Å; M133-F171 HydrophobicContact SD-CG 4.35Å; F136-F171 HydrophobicContact CD1-CD2 4.19Å; F136-F171 AromaticContact CD1-CE2 3.88Å; F136-F171 HydrophobicContact CD1-CE2 3.88Å; F136-F171 HydrophobicContact CE1-CE2 4.08Å; P138-F171 HydrophobicContact CB-CD2 4.01Å; P138-F171 HydrophobicContact CB-CE2 3.82Å; P138-F171 HydrophobicContact CG-CD2 4.09Å; P138-F171 HydrophobicContact CG-CE2 4.41Å; L142-F171 HydrophobicContact CD2-CZ 4.43Å; F154-F171 HydrophobicContact CD1-CE1 4.02Å; F154-F171 HydrophobicContact CD1-CZ 4.15Å; F154-F171 AromaticContact CE1-CE1 3.78Å; F154-F171 HydrophobicContact CE1-CE1 3.78Å; F154-F171 HydrophobicContact CE1-CE2 4.48Å; F154-F171 AromaticContact CE1-CZ 3.45Å; F154-F171 HydrophobicContact CE1-CZ 3.45Å; F154-F171 VanDerWaalsContact CE1-CZ 3.45Å; F154-F171 HydrophobicContact CZ-CZ 4.19Å; A168-F171 PolarHBondContact O-N 2.62Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CE1-CD1 3.48Å; F171-L175 VanDerWaalsContact CE1-CD1 3.48Å; F171-L175 HydrophobicContact CE1-CG 4.26Å; F171-L175 HydrophobicContact CZ-CD1 4.19Å; F171-L175 PolarHBondContact O-N 2.74Å; F171-L175 VanDerWaalsContact O-N 3.14Å
172	C	92.3	Very high	87.4	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-45.5	176.7	-66	0	0	0	0	111.7	P164 A168 E169 W170 W174 L175 E176 W218	P164-C172 HydrophobicContact CB-CB 4.07Å; P164-C172 HydrophobicContact CG-CB 4.13Å; A168-C172 WeakPolarHBondContact O-CB 3.45Å; A168-C172 PolarHBondContact O-N 2.8Å; A168-C172 PolarHBondContact O-SG 2.92Å; E169-C172 PolarHBondContact O-N 3.15Å; W170-C172 VanDerWaalsContact C-N 3.33Å; W170-C172 PolarHBondContact O-N 3.43Å; C172-W174 PolarHBondContact O-N 2.79Å; C172-L175 PolarHBondContact O-N 2.78Å; C172-E176 PolarHBondContact O-N 3.04Å; C172-W218 HydrophobicContact CB-CZ3 4.1Å; C172-W218 VanDerWaalsContact O-CZ3 3.3Å; C172-W218 WeakPolarHBondContact O-CZ3 3.26Å
173	K	89.2	Confident	85.4	Confident	103 Å²	103	61.7 Å²	61.7	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-44.7	176.7	177.8	169.3	174.8	169.7	0	111.9	E169 W170 L175 E176 E177	E169-K173 WeakPolarHBondContact O-CB 3.31Å; E169-K173 PolarHBondContact O-N 3.32Å; W170-K173 PolarHBondContact O-N 3.23Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 3.33Å; K173-E176 PolarHBondContact O-N 2.66Å; K173-E177 WeakPolarHBondContact CE-OE1 3.38Å; K173-E177 IonicContact NZ-OE1 2.78Å; K173-E177 WeakPolarHBondContact O-CG 3.5Å; K173-E177 PolarHBondContact O-N 2.88Å
174	W	89.7	Confident	83.9	Confident	9 Å²	9	56.7 Å²	56.7	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-41.1	175.6	177.1	95.8	0	0	0	112.1	P138 D139 L142 W170 C172 E176 A178 F188	P138-W174 HydrophobicContact CB-CD2 3.74Å; P138-W174 HydrophobicContact CB-CE3 3.54Å; P138-W174 HydrophobicContact CB-CG 4.42Å; P138-W174 HydrophobicContact CB-CH2 3.99Å; P138-W174 HydrophobicContact CB-CZ2 4.16Å; P138-W174 HydrophobicContact CB-CZ3 3.68Å; P138-W174 HydrophobicContact CG-CB 3.95Å; P138-W174 HydrophobicContact CG-CD2 3.36Å; P138-W174 HydrophobicContact CG-CE3 3.57Å; P138-W174 HydrophobicContact CG-CG 3.52Å; P138-W174 HydrophobicContact CG-CZ2 4.49Å; P138-W174 HydrophobicContact CG-CZ3 4.24Å; D139-W174 PolarHBondContact OD1-NE1 2.68Å; L142-W174 HydrophobicContact CB-CH2 4.44Å; L142-W174 HydrophobicContact CD2-CH2 4.03Å; L142-W174 HydrophobicContact CD2-CZ3 3.73Å; W170-W174 WeakPolarHBondContact O-CB 3.1Å; W170-W174 PolarHBondContact O-N 2.9Å; C172-W174 PolarHBondContact O-N 2.79Å; W174-E176 PolarHBondContact O-N 2.79Å; W174-A178 HydrophobicContact CD2-CB 4.41Å; W174-A178 HydrophobicContact CE3-CB 4.46Å; W174-A178 HydrophobicContact CH2-CB 4.42Å; W174-A178 HydrophobicContact CZ2-CB 4.37Å; W174-A178 HydrophobicContact CZ3-CB 4.46Å; W174-A178 WeakPolarHBondContact O-CB 3.39Å; W174-A178 PolarHBondContact O-N 3.46Å; W174-F188 AromaticContact CH2-CE1 3.96Å; W174-F188 HydrophobicContact CH2-CE1 3.96Å; W174-F188 HydrophobicContact CZ2-CE1 4.05Å
175	L	90.4	Very high	82.5	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-38.6	176.4	-90.7	176.5	0	0	0	112.4	F171 C172 K173 S179 L189 V215 W218 L219 L222	F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CE1-CD1 3.48Å; F171-L175 VanDerWaalsContact CE1-CD1 3.48Å; F171-L175 HydrophobicContact CE1-CG 4.26Å; F171-L175 HydrophobicContact CZ-CD1 4.19Å; F171-L175 PolarHBondContact O-N 2.74Å; F171-L175 VanDerWaalsContact O-N 3.14Å; C172-L175 PolarHBondContact O-N 2.78Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 3.33Å; L175-S179 VanDerWaalsContact O-CB 3.23Å; L175-S179 WeakPolarHBondContact O-CB 3.32Å; L175-S179 PolarHBondContact O-N 3.43Å; L175-S179 PolarHBondContact O-OG 2.98Å; L175-L189 HydrophobicContact CD2-CD1 4.46Å; L175-V215 HydrophobicContact CD1-CG1 4.06Å; L175-V215 HydrophobicContact CD1-CG2 4.37Å; L175-W218 HydrophobicContact CB-CB 4.14Å; L175-W218 HydrophobicContact CB-CD2 4.39Å; L175-W218 HydrophobicContact CB-CE3 3.79Å; L175-L219 HydrophobicContact CD1-CD2 4.2Å; L175-L219 HydrophobicContact CD1-CG 4.14Å; L175-L219 HydrophobicContact CD2-CD2 3.69Å; L175-L219 HydrophobicContact CD2-CG 4.15Å; L175-L222 HydrophobicContact CD2-CD1 4Å
176	E	91.9	Very high	81.8	Confident	94 Å²	94	62.9 Å²	62.9	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-54.6	175.9	-175.8	154.5	-134.7	0	0	111.4	C172 K173 W174 A178 S179 T180 W218	C172-E176 PolarHBondContact O-N 3.04Å; K173-E176 PolarHBondContact O-N 2.66Å; W174-E176 PolarHBondContact O-N 2.79Å; E176-A178 PolarHBondContact O-N 2.93Å; E176-S179 PolarHBondContact O-N 3.38Å; E176-S179 PolarHBondContact O-OG 2.67Å; E176-T180 PolarHBondContact O-N 3.02Å; E176-T180 PolarHBondContact O-OG1 2.86Å; E176-W218 HydrophobicContact CB-CD2 4.12Å; E176-W218 HydrophobicContact CB-CE3 4.42Å; E176-W218 HydrophobicContact CB-CH2 3.82Å; E176-W218 HydrophobicContact CB-CZ2 3.5Å; E176-W218 VanDerWaalsContact CB-CZ2 3.5Å; E176-W218 HydrophobicContact CB-CZ3 4.28Å; E176-W218 HydrophobicContact CG-CH2 4.36Å; E176-W218 HydrophobicContact CG-CZ2 3.63Å; E176-W218 VanDerWaalsContact OE1-CZ2 3.3Å; E176-W218 WeakPolarHBondContact OE1-CZ2 3.47Å
177	E	85.9	Confident	81.6	Confident	83 Å²	83	59.1 Å²	59.1	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-56.4	-51.1	176.2	-72.4	-178.6	-168.3	0	0	110.6	K173 S179 T180 D181	K173-E177 WeakPolarHBondContact CE-OE1 3.38Å; K173-E177 IonicContact NZ-OE1 2.78Å; K173-E177 WeakPolarHBondContact O-CG 3.5Å; K173-E177 PolarHBondContact O-N 2.88Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.15Å; E177-T180 PolarHBondContact O-N 3.32Å; E177-T180 VanDerWaalsContact O-N 3.15Å; E177-T180 PolarHBondContact O-OG1 3.42Å; E177-D181 WeakPolarHBondContact O-CB 3.39Å; E177-D181 PolarHBondContact O-N 2.96Å
178	A	82.8	Confident	81.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-38.4	-179.4	0	0	0	0	0	112.6	W174 E176 T180 Y184 L222	W174-A178 HydrophobicContact CD2-CB 4.41Å; W174-A178 HydrophobicContact CE3-CB 4.46Å; W174-A178 HydrophobicContact CH2-CB 4.42Å; W174-A178 HydrophobicContact CZ2-CB 4.37Å; W174-A178 HydrophobicContact CZ3-CB 4.46Å; W174-A178 WeakPolarHBondContact O-CB 3.39Å; W174-A178 PolarHBondContact O-N 3.46Å; E176-A178 PolarHBondContact O-N 2.93Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 3.43Å; A178-Y184 VanDerWaalsContact CA-CD2 3.49Å; A178-Y184 HydrophobicContact CB-CD2 3.81Å; A178-Y184 HydrophobicContact CB-CE2 3.93Å; A178-Y184 HydrophobicContact CB-CG 4.17Å; A178-Y184 VanDerWaalsContact O-CB 3.3Å; A178-Y184 WeakPolarHBondContact O-CB 3.14Å; A178-L222 HydrophobicContact CB-CD1 4.19Å; A178-L222 WeakPolarHBondContact O-CD2 3.28Å
179	S	86	Confident	81	Confident	15 Å²	15	61.2 Å²	61.2	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-19	-179.8	76.2	0	0	0	0	114.8	L175 E176 E177 M221	L175-S179 VanDerWaalsContact O-CB 3.23Å; L175-S179 WeakPolarHBondContact O-CB 3.32Å; L175-S179 PolarHBondContact O-N 3.43Å; L175-S179 PolarHBondContact O-OG 2.98Å; E176-S179 PolarHBondContact O-N 3.38Å; E176-S179 PolarHBondContact O-OG 2.67Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.15Å; S179-M221 VanDerWaalsContact O-CE 3.31Å; S179-M221 WeakPolarHBondContact O-CE 2.81Å
180	T	79.4	Confident	80.9	Confident	102 Å²	102	63.6 Å²	63.6	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-108.6	-26.1	-175.8	52.7	0	0	0	0	113	E176 E177 A178 F182	E176-T180 PolarHBondContact O-N 3.02Å; E176-T180 PolarHBondContact O-OG1 2.86Å; E177-T180 PolarHBondContact O-N 3.32Å; E177-T180 VanDerWaalsContact O-N 3.15Å; E177-T180 PolarHBondContact O-OG1 3.42Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 3.43Å; T180-F182 PolarHBondContact O-N 3.07Å
181	D	71.1	Confident	81	Confident	22 Å²	22	58.7 Å²	58.7	12%	0.118	30%	0.303	C	S	.	.			trans	-74.7	118.9	179.9	176.3	4.4	0	0	0	112.7	E177 R183 Y184	E177-D181 WeakPolarHBondContact O-CB 3.39Å; E177-D181 PolarHBondContact O-N 2.96Å; D181-R183 PolarHBondContact O-N 3.26Å; D181-R183 VanDerWaalsContact OD1-CB 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.36Å; D181-R183 WeakPolarHBondContact OD1-CG 3.5Å; D181-R183 PolarHBondContact OD1-N 2.74Å; D181-R183 IonicContact OD1-NE 3.24Å; D181-R183 PolarHBondContact OD1-NE 3.23Å; D181-R183 IonicContact OD2-CZ 3.77Å; D181-R183 IonicContact OD2-NE 3.71Å; D181-R183 PolarHBondContact OD2-NE 3.39Å; D181-R183 IonicContact OD2-NH2 2.73Å; D181-R183 PolarHBondContact OD2-NH2 3.21Å; D181-Y184 HydrophobicContact CB-CD2 4.16Å; D181-Y184 PolarHBondContact O-N 3.37Å
182	F	67.6	Low	81	Confident	158 Å²	158	58.7 Å²	58.7	69%	0.693	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.9	178.8	72.1	-87.1	0	0	0	115.3	T180 Y184 H442	T180-F182 PolarHBondContact O-N 3.07Å; F182-Y184 VanDerWaalsContact C-N 3.35Å; F182-H442 WeakPolarHBondContact CZ-O 3.44Å
183	R	46.7	Very low	81.1	Confident	98 Å²	98	60.5 Å²	60.5	37%	0.37	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.7	175.1	-60.4	177.4	-55.1	166.7	13	111.5	D181 G185 H442	D181-R183 PolarHBondContact O-N 3.26Å; D181-R183 VanDerWaalsContact OD1-CB 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.36Å; D181-R183 WeakPolarHBondContact OD1-CG 3.5Å; D181-R183 PolarHBondContact OD1-N 2.74Å; D181-R183 IonicContact OD1-NE 3.24Å; D181-R183 PolarHBondContact OD1-NE 3.23Å; D181-R183 IonicContact OD2-CZ 3.77Å; D181-R183 IonicContact OD2-NE 3.71Å; D181-R183 PolarHBondContact OD2-NE 3.39Å; D181-R183 IonicContact OD2-NH2 2.73Å; D181-R183 PolarHBondContact OD2-NH2 3.21Å; R183-G185 PolarHBondContact O-N 3.2Å; R183-H442 VanDerWaalsContact CZ-ND1 3.25Å; R183-H442 PolarHBondContact NH1-ND1 3.18Å; R183-H442 PolarHBondContact NH2-CE1 3.42Å; R183-H442 PolarHBondContact NH2-ND1 3.44Å
184	Y	61.2	Low	81.5	Confident	49 Å²	49	55.6 Å²	55.6	19%	0.192	29%	0.288	C	S	.	.	S	Bend	trans	-84.6	103.7	168.6	-67	-74.5	0	0	0	108.5	D139 A178 D181 F182 N186 F188	D139-Y184 PolarHBondContact OD1-OH 3.43Å; A178-Y184 VanDerWaalsContact CA-CD2 3.49Å; A178-Y184 HydrophobicContact CB-CD2 3.81Å; A178-Y184 HydrophobicContact CB-CE2 3.93Å; A178-Y184 HydrophobicContact CB-CG 4.17Å; A178-Y184 VanDerWaalsContact O-CB 3.3Å; A178-Y184 WeakPolarHBondContact O-CB 3.14Å; D181-Y184 HydrophobicContact CB-CD2 4.16Å; D181-Y184 PolarHBondContact O-N 3.37Å; F182-Y184 VanDerWaalsContact C-N 3.35Å; Y184-N186 PolarHBondContact O-N 3.34Å; Y184-F188 HydrophobicContact CD1-CB 4.37Å; Y184-F188 AromaticContact CD1-CD1 3.62Å; Y184-F188 HydrophobicContact CD1-CD1 3.62Å; Y184-F188 AromaticContact CD1-CD2 3.81Å; Y184-F188 HydrophobicContact CD1-CD2 3.81Å; Y184-F188 AromaticContact CD1-CE1 3.72Å; Y184-F188 HydrophobicContact CD1-CE1 3.72Å; Y184-F188 AromaticContact CD1-CE2 3.91Å; Y184-F188 HydrophobicContact CD1-CE2 3.91Å; Y184-F188 AromaticContact CD1-CG 3.67Å; Y184-F188 HydrophobicContact CD1-CG 3.67Å; Y184-F188 AromaticContact CD1-CZ 3.87Å; Y184-F188 HydrophobicContact CD1-CZ 3.87Å; Y184-F188 HydrophobicContact CE1-CD1 4.1Å; Y184-F188 HydrophobicContact CE1-CD2 4.31Å; Y184-F188 AromaticContact CE1-CE1 3.69Å; Y184-F188 HydrophobicContact CE1-CE1 3.69Å; Y184-F188 AromaticContact CE1-CE2 3.93Å; Y184-F188 HydrophobicContact CE1-CE2 3.93Å; Y184-F188 HydrophobicContact CE1-CG 4.4Å; Y184-F188 AromaticContact CE1-CZ 3.61Å; Y184-F188 HydrophobicContact CE1-CZ 3.61Å
185	G	64.8	Low	81.9	Confident	41 Å²	41	55.2 Å²	55.2	42%	0.423	29%	0.286	S	S	.	.			trans	-57.4	141.9	170.8	0	0	0	0	0	109.8	R183 S187 F188	R183-G185 PolarHBondContact O-N 3.2Å; G185-S187 CarbonylContact O-C 3.52Å; G185-S187 PolarHBondContact O-N 3.39Å; G185-F188 WeakPolarHBondContact O-CB 3.38Å; G185-F188 PolarHBondContact O-N 3.33Å
186	N	77.9	Confident	82.3	Confident	125 Å²	125	55.2 Å²	55.2	67%	0.668	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-9.5	-176.4	-57.7	67.3	0	0	0	114.9	Y184 L222 S223	Y184-N186 PolarHBondContact O-N 3.34Å; N186-L222 CarbonylContact O-C 3.55Å; N186-S223 VanDerWaalsContact O-CB 3.27Å; N186-S223 WeakPolarHBondContact O-CB 3.2Å; N186-S223 PolarHBondContact O-N 3.25Å; N186-S223 PolarHBondContact O-OG 2.64Å
187	S	84.8	Confident	82.6	Confident	70 Å²	70	50.8 Å²	50.8	49%	0.49	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	17.4	173.8	63.4	0	0	0	0	114.6	G185 L189 K190	G185-S187 CarbonylContact O-C 3.52Å; G185-S187 PolarHBondContact O-N 3.39Å; S187-L189 PolarHBondContact O-N 3.28Å; S187-K190 WeakPolarHBondContact O-CB 3.27Å; S187-K190 PolarHBondContact O-N 3.34Å; S187-K190 VanDerWaalsContact O-N 3.14Å
188	F	82.1	Confident	83.1	Confident	66 Å²	66	46.8 Å²	46.8	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-44.2	-174.9	-179.8	-118.8	0	0	0	112.8	A143 W174 Y184 G185 K190 L222	A143-F188 HydrophobicContact CB-CZ 4.33Å; W174-F188 AromaticContact CH2-CE1 3.96Å; W174-F188 HydrophobicContact CH2-CE1 3.96Å; W174-F188 HydrophobicContact CZ2-CE1 4.05Å; Y184-F188 HydrophobicContact CD1-CB 4.37Å; Y184-F188 AromaticContact CD1-CD1 3.62Å; Y184-F188 HydrophobicContact CD1-CD1 3.62Å; Y184-F188 AromaticContact CD1-CD2 3.81Å; Y184-F188 HydrophobicContact CD1-CD2 3.81Å; Y184-F188 AromaticContact CD1-CE1 3.72Å; Y184-F188 HydrophobicContact CD1-CE1 3.72Å; Y184-F188 AromaticContact CD1-CE2 3.91Å; Y184-F188 HydrophobicContact CD1-CE2 3.91Å; Y184-F188 AromaticContact CD1-CG 3.67Å; Y184-F188 HydrophobicContact CD1-CG 3.67Å; Y184-F188 AromaticContact CD1-CZ 3.87Å; Y184-F188 HydrophobicContact CD1-CZ 3.87Å; Y184-F188 HydrophobicContact CE1-CD1 4.1Å; Y184-F188 HydrophobicContact CE1-CD2 4.31Å; Y184-F188 AromaticContact CE1-CE1 3.69Å; Y184-F188 HydrophobicContact CE1-CE1 3.69Å; Y184-F188 AromaticContact CE1-CE2 3.93Å; Y184-F188 HydrophobicContact CE1-CE2 3.93Å; Y184-F188 HydrophobicContact CE1-CG 4.4Å; Y184-F188 AromaticContact CE1-CZ 3.61Å; Y184-F188 HydrophobicContact CE1-CZ 3.61Å; G185-F188 WeakPolarHBondContact O-CB 3.38Å; G185-F188 PolarHBondContact O-N 3.33Å; F188-K190 VanDerWaalsContact C-N 3.31Å; F188-K190 PolarHBondContact O-N 3.32Å; F188-L222 HydrophobicContact CB-CD2 4.13Å; F188-L222 HydrophobicContact CD1-CD2 4.49Å
189	L	89.1	Confident	83.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	25.4	176.6	-57.8	179.5	0	0	0	112.7	L142 C146 L175 S187 G191 L192 L219 L222 A224	L142-L189 HydrophobicContact CD2-CD1 3.93Å; L142-L189 HydrophobicContact CD2-CD2 4.16Å; L142-L189 HydrophobicContact CG-CD2 4.1Å; C146-L189 VanDerWaalsContact SG-CA 3.57Å; L175-L189 HydrophobicContact CD2-CD1 4.46Å; S187-L189 PolarHBondContact O-N 3.28Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 2.82Å; L189-L192 HydrophobicContact CB-CB 4.16Å; L189-L192 HydrophobicContact CB-CD2 4.16Å; L189-L192 HydrophobicContact CD1-CD2 3.89Å; L189-L192 HydrophobicContact CD2-CD2 4.38Å; L189-L192 HydrophobicContact CG-CD2 4.36Å; L189-L192 WeakPolarHBondContact O-CB 3.35Å; L189-L192 PolarHBondContact O-N 2.88Å; L189-L219 HydrophobicContact CD1-CD2 3.71Å; L189-L222 CarbonylContact C-O 3.58Å; L189-L222 WeakPolarHBondContact CA-O 3.49Å; L189-L222 HydrophobicContact CB-CB 3.99Å; L189-L222 HydrophobicContact CD1-CB 3.85Å; L189-L222 HydrophobicContact CD1-CD1 3.64Å; L189-L222 HydrophobicContact CD1-CG 4.39Å; L189-L222 HydrophobicContact CG-CB 3.86Å; L189-L222 HydrophobicContact CG-CD1 4.17Å; L189-L222 PolarHBondContact N-O 3.31Å; L189-A224 HydrophobicContact CB-CB 4.03Å; L189-A224 WeakPolarHBondContact O-CA 3.39Å
190	K	88.1	Confident	84.1	Confident	158 Å²	158	47.1 Å²	47.1	69%	0.687	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	81.8	-179	-176.9	-163.9	164.4	-167.2	0	111.3	S187 F188	S187-K190 WeakPolarHBondContact O-CB 3.27Å; S187-K190 PolarHBondContact O-N 3.34Å; S187-K190 VanDerWaalsContact O-N 3.14Å; F188-K190 VanDerWaalsContact C-N 3.31Å; F188-K190 PolarHBondContact O-N 3.32Å
191	G	87.8	Confident	84.6	Confident	35 Å²	35	44.7 Å²	44.7	36%	0.361	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	161.8	-40.6	178.3	0	0	0	0	0	110.2	C146 L189 R193	C146-G191 WeakPolarHBondContact O-CA 3.27Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 2.82Å; G191-R193 WeakPolarHBondContact O-CG 3.3Å; G191-R193 PolarHBondContact O-N 2.86Å
192	L	92.9	Very high	85.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.			trans	-47.8	124.9	178.2	-169.1	69.6	0	0	0	111.3	L142 E145 C152 L189 L219 A224 R225	L142-L192 HydrophobicContact CD1-CD1 4.28Å; L142-L192 HydrophobicContact CD1-CD2 4.24Å; L142-L192 HydrophobicContact CD2-CD2 4.45Å; L142-L192 HydrophobicContact CG-CD2 4.25Å; E145-L192 HydrophobicContact CB-CD1 3.51Å; E145-L192 WeakPolarHBondContact O-CD1 3.22Å; C152-L192 HydrophobicContact CB-CD1 4.44Å; C152-L192 VanDerWaalsContact SG-CD1 3.57Å; L189-L192 HydrophobicContact CB-CB 4.16Å; L189-L192 HydrophobicContact CB-CD2 4.16Å; L189-L192 HydrophobicContact CD1-CD2 3.89Å; L189-L192 HydrophobicContact CD2-CD2 4.38Å; L189-L192 HydrophobicContact CG-CD2 4.36Å; L189-L192 WeakPolarHBondContact O-CB 3.35Å; L189-L192 PolarHBondContact O-N 2.88Å; L192-L219 HydrophobicContact CD2-CD2 4.03Å; L192-A224 HydrophobicContact CB-CB 4.09Å; L192-A224 HydrophobicContact CD2-CB 4Å; L192-A224 HydrophobicContact CG-CB 4.4Å; L192-R225 PolarHBondContact O-N 2.89Å
193	R	94.7	Very high	86.6	Confident	42 Å²	42	41.4 Å²	41.4	16%	0.158	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.6	177.5	-60.4	-172.4	-57.8	-173.6	5.9	108.6	H95 K149 S150 V151 C152 G191 R225 V227	H95-R193 PolarHBondContact O-NH1 2.98Å; H95-R193 PolarHBondContact O-NH2 3.32Å; H95-R193 VanDerWaalsContact O-NH2 3.1Å; K149-R193 VanDerWaalsContact C-NH2 3.29Å; K149-R193 PolarHBondContact O-NH2 2.73Å; S150-R193 VanDerWaalsContact O-CZ 3.32Å; S150-R193 PolarHBondContact O-NE 3.16Å; S150-R193 PolarHBondContact O-NH2 2.98Å; V151-R193 CarbonylContact C-O 3.59Å; V151-R193 WeakPolarHBondContact CA-O 3.49Å; V151-R193 HydrophobicContact CG2-CB 4.31Å; C152-R193 PolarHBondContact N-O 3.35Å; G191-R193 WeakPolarHBondContact O-CG 3.3Å; G191-R193 PolarHBondContact O-N 2.86Å; R193-R225 WeakPolarHBondContact CA-O 3.02Å; R193-V227 HydrophobicContact CB-CG1 3.83Å
194	Y	96.9	Very high	88.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.8	-167.5	87.2	-82.6	0	0	0	115.4	C152 F154 V196 D216 L219 A224 R225 R226 V227	C152-Y194 CarbonylContact O-C 3.13Å; C152-Y194 VanDerWaalsContact O-CA 3.24Å; C152-Y194 WeakPolarHBondContact O-CA 3.21Å; F154-Y194 HydrophobicContact CD2-CD2 4.42Å; Y194-V196 HydrophobicContact CD2-CG2 3.73Å; Y194-V196 HydrophobicContact CE2-CG2 3.65Å; Y194-D216 VanDerWaalsContact CE2-OD1 3.24Å; Y194-D216 WeakPolarHBondContact CE2-OD1 3.46Å; Y194-D216 PolarHBondContact OH-O 3.28Å; Y194-D216 VanDerWaalsContact OH-O 3.09Å; Y194-D216 PolarHBondContact OH-OD1 2.69Å; Y194-L219 HydrophobicContact CD1-CB 4.41Å; Y194-L219 HydrophobicContact CD2-CB 4.27Å; Y194-L219 HydrophobicContact CD2-CD1 3.53Å; Y194-L219 HydrophobicContact CE1-CB 4.14Å; Y194-L219 HydrophobicContact CE2-CB 4.01Å; Y194-L219 HydrophobicContact CE2-CD1 3.84Å; Y194-L219 HydrophobicContact CG-CB 4.48Å; Y194-L219 HydrophobicContact CG-CD1 4.07Å; Y194-A224 HydrophobicContact CD1-CB 3.51Å; Y194-A224 HydrophobicContact CE1-CB 3.79Å; Y194-A224 WeakPolarHBondContact CE1-O 3.47Å; Y194-A224 HydrophobicContact CG-CB 4.44Å; Y194-R225 PolarHBondContact N-O 2.82Å; Y194-R226 HydrophobicContact CD1-CB 4.41Å; Y194-R226 HydrophobicContact CE1-CB 3.72Å; Y194-R226 HydrophobicContact CE1-CG 4.3Å; Y194-R226 HydrophobicContact CE2-CG 4.34Å; Y194-R226 CarbonylContact O-C 3.59Å; Y194-R226 WeakPolarHBondContact O-CA 3.49Å; Y194-R226 PolarHBondContact OH-NE 2.93Å; Y194-R226 PolarHBondContact OH-NH2 3.31Å; Y194-R226 VanDerWaalsContact OH-NH2 3.11Å; Y194-V227 PolarHBondContact O-N 3.4Å
195	A	97.8	Very high	89.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152	165.8	0	0	0	0	0	110.5	C152 V153 F154 V227 L228 W252 F256	C152-A195 PolarHBondContact O-N 3.03Å; V153-A195 WeakPolarHBondContact CA-O 3.5Å; F154-A195 PolarHBondContact N-O 3.37Å; A195-V227 HydrophobicContact CB-CG2 3.89Å; A195-L228 HydrophobicContact CB-CB 4.45Å; A195-W252 HydrophobicContact CB-CH2 4.35Å; A195-W252 HydrophobicContact CB-CZ2 3.94Å; A195-F256 HydrophobicContact CB-CD2 4Å; A195-F256 HydrophobicContact CB-CE2 3.86Å
196	V	98.3	Very high	90.5	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	179.9	-173.8	0	0	0	0	109.7	F154 V156 Y194 V215 D216 L219 R230 G231	F154-V196 HydrophobicContact CB-CG1 4.4Å; F154-V196 HydrophobicContact CB-CG2 4.25Å; F154-V196 HydrophobicContact CD2-CG2 4.26Å; F154-V196 CarbonylContact O-C 3.5Å; F154-V196 WeakPolarHBondContact O-CA 3.48Å; V156-V196 HydrophobicContact CG2-CG1 4.3Å; Y194-V196 HydrophobicContact CD2-CG2 3.73Å; Y194-V196 HydrophobicContact CE2-CG2 3.65Å; V196-V215 HydrophobicContact CG2-CG1 4.28Å; V196-D216 HydrophobicContact CB-CB 4.32Å; V196-D216 HydrophobicContact CG2-CB 4.01Å; V196-L219 HydrophobicContact CG2-CD1 4.39Å; V196-R230 HydrophobicContact CB-CG 4.31Å; V196-R230 HydrophobicContact CG1-CG 4.43Å; V196-R230 CarbonylContact O-C 3.43Å; V196-R230 WeakPolarHBondContact O-CA 3.45Å; V196-G231 PolarHBondContact O-N 2.87Å
197	F	97.9	Very high	91.1	Very high	1 Å²	1	47 Å²	47	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.5	163.9	-172.3	-90.6	0	0	0	108	F113 F154 L155 V156 L199 G233 D248 F249 W252	F113-F197 HydrophobicContact CE2-CE1 4.43Å; F154-F197 PolarHBondContact O-N 2.94Å; L155-F197 WeakPolarHBondContact CA-O 3.4Å; L155-F197 HydrophobicContact CD2-CB 3.62Å; V156-F197 PolarHBondContact N-O 3.18Å; F197-L199 HydrophobicContact CD1-CD1 3.95Å; F197-L199 HydrophobicContact CD1-CG 4.26Å; F197-L199 HydrophobicContact CE1-CD1 4.32Å; F197-L199 HydrophobicContact CE1-CG 4.12Å; F197-G233 VanDerWaalsContact CZ-CA 3.45Å; F197-D248 HydrophobicContact CZ-CB 4.26Å; F197-F249 HydrophobicContact CD1-CD2 4.09Å; F197-F249 HydrophobicContact CD2-CD2 4.34Å; F197-F249 HydrophobicContact CE1-CB 3.94Å; F197-F249 HydrophobicContact CE1-CD2 4.12Å; F197-F249 HydrophobicContact CE1-CG 4.48Å; F197-F249 HydrophobicContact CE2-CB 4.25Å; F197-F249 HydrophobicContact CE2-CD2 4.39Å; F197-F249 HydrophobicContact CG-CD2 4.22Å; F197-F249 VanDerWaalsContact CZ-CA 3.41Å; F197-F249 HydrophobicContact CZ-CB 3.67Å; F197-F249 HydrophobicContact CZ-CD2 4.28Å; F197-F249 HydrophobicContact CZ-CG 4.5Å; F197-W252 HydrophobicContact CB-CD2 4.23Å; F197-W252 HydrophobicContact CB-CE3 4.26Å; F197-W252 HydrophobicContact CB-CH2 4.21Å; F197-W252 HydrophobicContact CB-CZ2 4.13Å; F197-W252 HydrophobicContact CB-CZ3 4.27Å; F197-W252 HydrophobicContact CD2-CB 3.77Å; F197-W252 AromaticContact CD2-CD1 3.99Å; F197-W252 AromaticContact CD2-CD2 3.62Å; F197-W252 HydrophobicContact CD2-CD2 3.62Å; F197-W252 AromaticContact CD2-CE3 3.98Å; F197-W252 HydrophobicContact CD2-CE3 3.98Å; F197-W252 AromaticContact CD2-CG 3.53Å; F197-W252 HydrophobicContact CD2-CG 3.53Å; F197-W252 HydrophobicContact CE2-CB 3.74Å; F197-W252 HydrophobicContact CE2-CD2 4.48Å; F197-W252 HydrophobicContact CE2-CG 4.03Å; F197-W252 HydrophobicContact CG-CD2 4.33Å; F197-W252 HydrophobicContact CG-CE3 4.4Å
198	G	97	Very high	91.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	171.3	0	0	0	0	0	110.7	V156 N209 G231 G233	V156-G198 WeakPolarHBondContact O-CA 3.46Å; G198-N209 WeakPolarHBondContact CA-OD1 3.11Å; G198-N209 PolarHBondContact O-OD1 2.73Å; G198-N209 VanDerWaalsContact O-OD1 3.13Å; G198-G231 PolarHBondContact N-O 2.86Å; G198-G233 PolarHBondContact O-N 3.24Å
199	L	95.9	Very high	92	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.1	163.1	-57.3	77.6	0	0	0	107.7	T109 A110 F113 V156 A157 T158 F197 N209 V245	T109-L199 HydrophobicContact CG2-CD2 3.85Å; A110-L199 HydrophobicContact CB-CD1 3.7Å; A110-L199 HydrophobicContact CB-CD2 3.97Å; F113-L199 HydrophobicContact CD2-CD2 3.88Å; F113-L199 HydrophobicContact CD2-CG 4.44Å; F113-L199 HydrophobicContact CE2-CD2 3.7Å; F113-L199 HydrophobicContact CE2-CG 4.3Å; V156-L199 PolarHBondContact O-N 3.49Å; A157-L199 WeakPolarHBondContact CA-O 3.3Å; A157-L199 HydrophobicContact CB-CB 4.18Å; T158-L199 PolarHBondContact N-O 2.91Å; F197-L199 HydrophobicContact CD1-CD1 3.95Å; F197-L199 HydrophobicContact CD1-CG 4.26Å; F197-L199 HydrophobicContact CE1-CD1 4.32Å; F197-L199 HydrophobicContact CE1-CG 4.12Å; L199-N209 PolarHBondContact N-OD1 2.75Å; L199-V245 HydrophobicContact CB-CG2 4.48Å; L199-V245 HydrophobicContact CD2-CG2 4.31Å; L199-V245 HydrophobicContact CG-CG2 4.32Å
200	G	93.6	Very high	92.3	Very high	11 Å²	11	45.3 Å²	45.3	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-176.2	176	0	0	0	0	0	111	N209 G233 D234 G235	G200-N209 PolarHBondContact N-ND2 3Å; G200-N209 PolarHBondContact N-OD1 3.47Å; G200-G233 PolarHBondContact N-O 2.91Å; G200-D234 CarbonylContact O-C 3.57Å; G200-D234 WeakPolarHBondContact O-CA 3.14Å; G200-G235 PolarHBondContact O-N 3.33Å
201	N	91.3	Very high	92.6	Very high	50 Å²	50	38 Å²	38	27%	0.267	22%	0.22	S	C	.	.			trans	-139.1	120.8	172.7	175.1	-16.1	0	0	0	108.3	V203 Y204 D234	N201-V203 PolarHBondContact O-N 2.93Å; N201-V203 VanDerWaalsContact O-N 3.11Å; N201-V203 WeakPolarHBondContact OD1-CB 3.36Å; N201-V203 VanDerWaalsContact OD1-CG2 3.31Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.41Å; N201-V203 PolarHBondContact OD1-N 2.83Å; N201-Y204 HydrophobicContact CB-CD2 3.93Å; N201-Y204 HydrophobicContact CB-CE2 4.06Å; N201-Y204 PolarHBondContact O-N 3.47Å; N201-Y204 VanDerWaalsContact O-N 3.15Å; N201-D234 WeakPolarHBondContact CA-OD1 3.49Å
202	S	91.2	Very high	93	Very high	17 Å²	17	36.3 Å²	36.3	12%	0.119	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.6	-172.4	98.6	0	0	0	0	114.5	Y204 D234 N236 K239	S202-Y204 VanDerWaalsContact C-N 3.25Å; S202-D234 WeakPolarHBondContact CB-OD2 3.15Å; S202-D234 PolarHBondContact N-OD1 3.05Å; S202-N236 PolarHBondContact OG-ND2 3.12Å; S202-K239 WeakPolarHBondContact OG-CB 3.29Å; S202-K239 WeakPolarHBondContact OG-CD 3.26Å
203	V	89.8	Confident	93.2	Very high	95 Å²	95	38.7 Å²	38.7	58%	0.576	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-32.8	169.5	175.5	0	0	0	0	109.9	N201 V205 N236	N201-V203 PolarHBondContact O-N 2.93Å; N201-V203 VanDerWaalsContact O-N 3.11Å; N201-V203 WeakPolarHBondContact OD1-CB 3.36Å; N201-V203 VanDerWaalsContact OD1-CG2 3.31Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.41Å; N201-V203 PolarHBondContact OD1-N 2.83Å; V203-V205 VanDerWaalsContact C-N 3.31Å; V203-V205 PolarHBondContact O-N 2.88Å; V203-N236 HydrophobicContact CG2-CB 4.33Å
204	Y	86.9	Confident	93.3	Very high	152 Å²	152	38.9 Å²	38.9	60%	0.596	22%	0.221	S	C	*	.	S	Bend	trans	-82	77.3	173.5	-52.9	-72.6	0	0	0	110.3	N201 S202 H207 Y208	N201-Y204 HydrophobicContact CB-CD2 3.93Å; N201-Y204 HydrophobicContact CB-CE2 4.06Å; N201-Y204 PolarHBondContact O-N 3.47Å; N201-Y204 VanDerWaalsContact O-N 3.15Å; S202-Y204 VanDerWaalsContact C-N 3.25Å; Y204-H207 CarbonylContact O-C 3.59Å; Y204-H207 PolarHBondContact O-N 3.19Å; Y204-H207 VanDerWaalsContact O-N 3.11Å; Y204-Y208 PolarHBondContact O-N 3.13Å; Y204-Y208 VanDerWaalsContact O-N 3.08Å
205	V	82.6	Confident	93.3	Very high	125 Å²	125	38.9 Å²	38.9	76%	0.758	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	142	172.5	-175.9	0	0	0	0	109.5	V203 H207	V203-V205 VanDerWaalsContact C-N 3.31Å; V203-V205 PolarHBondContact O-N 2.88Å; V205-H207 PolarHBondContact O-N 3.13Å; V205-H207 VanDerWaalsContact O-N 3.12Å
206	G	84.5	Confident	93.3	Very high	71 Å²	71	39.3 Å²	39.3	73%	0.732	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	-32.8	-171.9	0	0	0	0	0	114.7
207	H	89.9	Confident	93.2	Very high	82 Å²	82	44.6 Å²	44.6	38%	0.38	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	9.2	-176.6	-61.7	-62.2	0	0	0	114.8	T158 D161 G162 Y204 V205 N209 T210	T158-H207 WeakPolarHBondContact CG2-O 3.38Å; D161-H207 PolarHBondContact O-CE1 3.2Å; D161-H207 PolarHBondContact O-ND1 2.91Å; G162-H207 PolarHBondContact N-ND1 3.24Å; Y204-H207 CarbonylContact O-C 3.59Å; Y204-H207 PolarHBondContact O-N 3.19Å; Y204-H207 VanDerWaalsContact O-N 3.11Å; V205-H207 PolarHBondContact O-N 3.13Å; V205-H207 VanDerWaalsContact O-N 3.12Å; H207-N209 PolarHBondContact O-N 2.85Å; H207-N209 VanDerWaalsContact O-N 3.15Å; H207-T210 VanDerWaalsContact C-OG1 3.29Å; H207-T210 VanDerWaalsContact CA-OG1 3.32Å; H207-T210 WeakPolarHBondContact CA-OG1 3.22Å; H207-T210 PolarHBondContact O-OG1 3.2Å
208	Y	92.4	Very high	93.1	Very high	67 Å²	67	45.1 Å²	45.1	26%	0.263	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	114.4	178.7	177.2	-114.1	0	0	0	112.1	Y204 T210 D234	Y204-Y208 PolarHBondContact O-N 3.13Å; Y204-Y208 VanDerWaalsContact O-N 3.08Å; Y208-T210 PolarHBondContact O-N 3.47Å; Y208-D234 HydrophobicContact CE2-CB 4Å
209	N	93	Very high	93	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	25.8	175.4	-90.9	-68.4	0	0	0	114.8	G198 L199 G200 H207 V211 G212 T213 G233	G198-N209 WeakPolarHBondContact CA-OD1 3.11Å; G198-N209 PolarHBondContact O-OD1 2.73Å; G198-N209 VanDerWaalsContact O-OD1 3.13Å; L199-N209 PolarHBondContact N-OD1 2.75Å; G200-N209 PolarHBondContact N-ND2 3Å; G200-N209 PolarHBondContact N-OD1 3.47Å; H207-N209 PolarHBondContact O-N 2.85Å; H207-N209 VanDerWaalsContact O-N 3.15Å; N209-V211 PolarHBondContact O-N 3.37Å; N209-G212 PolarHBondContact O-N 3.01Å; N209-T213 WeakPolarHBondContact O-CB 3.41Å; N209-T213 PolarHBondContact O-N 2.82Å; N209-T213 PolarHBondContact O-OG1 3.06Å; N209-G233 PolarHBondContact ND2-O 3.21Å
210	T	95.4	Very high	92.9	Very high	33 Å²	33	52.4 Å²	52.4	20%	0.202	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-48.2	-178.6	-55.1	0	0	0	0	112.7	T158 H207 Y208 G212 T213 N214	T158-T210 PolarHBondContact OG1-N 3.08Å; H207-T210 VanDerWaalsContact C-OG1 3.29Å; H207-T210 VanDerWaalsContact CA-OG1 3.32Å; H207-T210 WeakPolarHBondContact CA-OG1 3.22Å; H207-T210 PolarHBondContact O-OG1 3.2Å; Y208-T210 PolarHBondContact O-N 3.47Å; T210-G212 PolarHBondContact O-N 3.14Å; T210-T213 WeakPolarHBondContact O-CB 3.37Å; T210-T213 PolarHBondContact O-N 2.69Å; T210-N214 WeakPolarHBondContact O-CB 3.42Å; T210-N214 PolarHBondContact O-N 2.82Å
211	V	95.8	Very high	92.9	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-46	-176.5	-179.7	0	0	0	0	111.4	V156 T158 G162 R163 P164 N209 T213 N214 V215	V156-V211 HydrophobicContact CB-CG1 4.07Å; V156-V211 HydrophobicContact CG2-CG1 4.16Å; T158-V211 HydrophobicContact CG2-CG2 4.01Å; T158-V211 PolarHBondContact OG1-N 2.91Å; G162-V211 WeakPolarHBondContact O-CG2 3.29Å; R163-V211 VanDerWaalsContact C-CG2 3.45Å; R163-V211 VanDerWaalsContact O-CG2 3.31Å; R163-V211 WeakPolarHBondContact O-CG2 3.35Å; P164-V211 HydrophobicContact CB-CG1 4.28Å; P164-V211 HydrophobicContact CB-CG2 4.39Å; N209-V211 PolarHBondContact O-N 3.37Å; V211-T213 VanDerWaalsContact C-N 3.27Å; V211-T213 PolarHBondContact O-N 3.11Å; V211-N214 PolarHBondContact O-N 3.44Å; V211-V215 HydrophobicContact CG1-CG2 4.47Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.85Å
212	G	96.1	Very high	92.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-33	176.3	0	0	0	0	0	112.9	N209 T210 D216 R230	N209-G212 PolarHBondContact O-N 3.01Å; T210-G212 PolarHBondContact O-N 3.14Å; G212-D216 VanDerWaalsContact O-CB 3.29Å; G212-D216 WeakPolarHBondContact O-CB 3.49Å; G212-D216 PolarHBondContact O-N 3.33Å; G212-R230 WeakPolarHBondContact O-CD 3.4Å
213	T	96.4	Very high	92.9	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-70.7	-42.6	175.5	-57.1	0	0	0	0	111.6	N209 T210 V211 D216 K217 R230	N209-T213 WeakPolarHBondContact O-CB 3.41Å; N209-T213 PolarHBondContact O-N 2.82Å; N209-T213 PolarHBondContact O-OG1 3.06Å; T210-T213 WeakPolarHBondContact O-CB 3.37Å; T210-T213 PolarHBondContact O-N 2.69Å; V211-T213 VanDerWaalsContact C-N 3.27Å; V211-T213 PolarHBondContact O-N 3.11Å; T213-D216 PolarHBondContact O-N 3.04Å; T213-K217 WeakPolarHBondContact O-CB 3.37Å; T213-K217 PolarHBondContact O-N 3Å; T213-R230 VanDerWaalsContact OG1-CZ 3.26Å; T213-R230 PolarHBondContact OG1-NH1 3.4Å
214	N	96.3	Very high	93	Very high	45 Å²	45	49.9 Å²	49.9	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-47.5	179.3	-77.6	0.1	0	0	0	112.3	T210 V211 D216 K217 W218	T210-N214 WeakPolarHBondContact O-CB 3.42Å; T210-N214 PolarHBondContact O-N 2.82Å; V211-N214 PolarHBondContact O-N 3.44Å; N214-D216 VanDerWaalsContact C-N 3.28Å; N214-D216 PolarHBondContact O-N 2.77Å; N214-K217 WeakPolarHBondContact O-CB 3.35Å; N214-K217 PolarHBondContact O-N 3.49Å; N214-W218 HydrophobicContact CB-CD2 4.15Å; N214-W218 HydrophobicContact CB-CE3 4.05Å; N214-W218 HydrophobicContact CB-CH2 3.54Å; N214-W218 HydrophobicContact CB-CZ2 3.58Å; N214-W218 HydrophobicContact CB-CZ3 3.77Å; N214-W218 PolarHBondContact O-N 3.01Å
215	V	96.8	Very high	93.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-42.5	175.1	169.5	0	0	0	0	111.3	F154 L175 V196 V211 K217 W218 L219	F154-V215 HydrophobicContact CB-CG1 4.26Å; F154-V215 HydrophobicContact CG-CG1 4.3Å; L175-V215 HydrophobicContact CD1-CG1 4.06Å; L175-V215 HydrophobicContact CD1-CG2 4.37Å; V196-V215 HydrophobicContact CG2-CG1 4.28Å; V211-V215 HydrophobicContact CG1-CG2 4.47Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.85Å; V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 2.84Å; V215-W218 HydrophobicContact CG2-CE3 4.35Å; V215-W218 HydrophobicContact CG2-CZ3 4.36Å; V215-L219 HydrophobicContact CG1-CD1 3.7Å; V215-L219 HydrophobicContact CG1-CG 4.4Å; V215-L219 WeakPolarHBondContact O-CB 3.46Å; V215-L219 WeakPolarHBondContact O-CD1 3.27Å; V215-L219 VanDerWaalsContact O-CG 3.22Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 3.38Å
216	D	97.3	Very high	94	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.053	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-27.4	177	-176.4	49.2	0	0	0	114.2	Y194 V196 G212 T213 N214 W220 R226 R230	Y194-D216 VanDerWaalsContact CE2-OD1 3.24Å; Y194-D216 WeakPolarHBondContact CE2-OD1 3.46Å; Y194-D216 PolarHBondContact OH-O 3.28Å; Y194-D216 VanDerWaalsContact OH-O 3.09Å; Y194-D216 PolarHBondContact OH-OD1 2.69Å; V196-D216 HydrophobicContact CB-CB 4.32Å; V196-D216 HydrophobicContact CG2-CB 4.01Å; G212-D216 VanDerWaalsContact O-CB 3.29Å; G212-D216 WeakPolarHBondContact O-CB 3.49Å; G212-D216 PolarHBondContact O-N 3.33Å; T213-D216 PolarHBondContact O-N 3.04Å; N214-D216 VanDerWaalsContact C-N 3.28Å; N214-D216 PolarHBondContact O-N 2.77Å; D216-W220 WeakPolarHBondContact O-CB 3.47Å; D216-R226 PolarHBondContact O-NH2 3.26Å; D216-R226 VanDerWaalsContact O-NH2 3.15Å; D216-R226 IonicContact OD1-CZ 3.84Å; D216-R226 IonicContact OD1-NE 3.1Å; D216-R226 PolarHBondContact OD1-NE 2.95Å; D216-R226 IonicContact OD1-NH1 2.73Å; D216-R226 PolarHBondContact OD1-NH1 3.37Å; D216-R226 IonicContact OD1-NH2 3.33Å; D216-R226 PolarHBondContact OD1-NH2 3.2Å; D216-R226 IonicContact OD2-CZ 3.14Å; D216-R226 IonicContact OD2-NE 2.91Å; D216-R226 IonicContact OD2-NH1 2.77Å; D216-R226 PolarHBondContact OD2-NH1 2.74Å; D216-R226 IonicContact OD2-NH2 2.75Å; D216-R226 PolarHBondContact OD2-NH2 3.17Å; D216-R230 HydrophobicContact CB-CB 4.45Å; D216-R230 HydrophobicContact CB-CG 4.4Å; D216-R230 IonicContact OD2-NE 2.74Å
217	K	96.4	Very high	94.4	Very high	111 Å²	111	46.4 Å²	46.4	48%	0.483	21%	0.211	S	C	.	.	H	α-helix	trans	-74.8	-51.6	173.1	171.4	-169.5	172.8	-168.3	0	111	T213 N214 V215 W220 M221	T213-K217 WeakPolarHBondContact O-CB 3.37Å; T213-K217 PolarHBondContact O-N 3Å; N214-K217 WeakPolarHBondContact O-CB 3.35Å; N214-K217 PolarHBondContact O-N 3.49Å; V215-K217 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 2.84Å; K217-W220 PolarHBondContact O-N 2.92Å; K217-M221 HydrophobicContact CD-SD 4.46Å; K217-M221 HydrophobicContact CG-SD 3.82Å; K217-M221 WeakPolarHBondContact O-CG 3.23Å; K217-M221 PolarHBondContact O-N 2.74Å
218	W	95.7	Very high	94.6	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-45	-176.5	-60.1	-40.4	0	0	0	112.2	C172 L175 E176 N214 V215 W220 M221 L222	C172-W218 HydrophobicContact CB-CZ3 4.1Å; C172-W218 VanDerWaalsContact O-CZ3 3.3Å; C172-W218 WeakPolarHBondContact O-CZ3 3.26Å; L175-W218 HydrophobicContact CB-CB 4.14Å; L175-W218 HydrophobicContact CB-CD2 4.39Å; L175-W218 HydrophobicContact CB-CE3 3.79Å; E176-W218 HydrophobicContact CB-CD2 4.12Å; E176-W218 HydrophobicContact CB-CE3 4.42Å; E176-W218 HydrophobicContact CB-CH2 3.82Å; E176-W218 HydrophobicContact CB-CZ2 3.5Å; E176-W218 VanDerWaalsContact CB-CZ2 3.5Å; E176-W218 HydrophobicContact CB-CZ3 4.28Å; E176-W218 HydrophobicContact CG-CH2 4.36Å; E176-W218 HydrophobicContact CG-CZ2 3.63Å; E176-W218 VanDerWaalsContact OE1-CZ2 3.3Å; E176-W218 WeakPolarHBondContact OE1-CZ2 3.47Å; N214-W218 HydrophobicContact CB-CD2 4.15Å; N214-W218 HydrophobicContact CB-CE3 4.05Å; N214-W218 HydrophobicContact CB-CH2 3.54Å; N214-W218 HydrophobicContact CB-CZ2 3.58Å; N214-W218 HydrophobicContact CB-CZ3 3.77Å; N214-W218 PolarHBondContact O-N 3.01Å; V215-W218 HydrophobicContact CG2-CE3 4.35Å; V215-W218 HydrophobicContact CG2-CZ3 4.36Å; W218-W220 VanDerWaalsContact C-N 3.29Å; W218-W220 PolarHBondContact O-N 3.1Å; W218-M221 PolarHBondContact O-N 3.25Å; W218-L222 WeakPolarHBondContact O-CG 3.49Å; W218-L222 PolarHBondContact O-N 2.91Å; W218-L222 VanDerWaalsContact O-N 3.13Å
219	L	95	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-41	173.3	-71.7	169.5	0	0	0	111.9	L142 F154 L175 L189 L192 Y194 V196 V215 L222 A224	L142-L219 HydrophobicContact CD2-CD2 4.49Å; F154-L219 HydrophobicContact CD2-CD1 3.61Å; F154-L219 HydrophobicContact CE2-CD1 3.46Å; F154-L219 VanDerWaalsContact CE2-CD1 3.46Å; F154-L219 HydrophobicContact CE2-CD2 4.4Å; F154-L219 HydrophobicContact CG-CD1 4.46Å; F154-L219 HydrophobicContact CZ-CD1 4.23Å; L175-L219 HydrophobicContact CD1-CD2 4.2Å; L175-L219 HydrophobicContact CD1-CG 4.14Å; L175-L219 HydrophobicContact CD2-CD2 3.69Å; L175-L219 HydrophobicContact CD2-CG 4.15Å; L189-L219 HydrophobicContact CD1-CD2 3.71Å; L192-L219 HydrophobicContact CD2-CD2 4.03Å; Y194-L219 HydrophobicContact CD1-CB 4.41Å; Y194-L219 HydrophobicContact CD2-CB 4.27Å; Y194-L219 HydrophobicContact CD2-CD1 3.53Å; Y194-L219 HydrophobicContact CE1-CB 4.14Å; Y194-L219 HydrophobicContact CE2-CB 4.01Å; Y194-L219 HydrophobicContact CE2-CD1 3.84Å; Y194-L219 HydrophobicContact CG-CB 4.48Å; Y194-L219 HydrophobicContact CG-CD1 4.07Å; V196-L219 HydrophobicContact CG2-CD1 4.39Å; V215-L219 HydrophobicContact CG1-CD1 3.7Å; V215-L219 HydrophobicContact CG1-CG 4.4Å; V215-L219 WeakPolarHBondContact O-CB 3.46Å; V215-L219 WeakPolarHBondContact O-CD1 3.27Å; V215-L219 VanDerWaalsContact O-CG 3.22Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 3.38Å; L219-L222 PolarHBondContact O-N 3.46Å; L219-A224 HydrophobicContact CB-CB 4.13Å; L219-A224 WeakPolarHBondContact O-CB 3.44Å; L219-A224 PolarHBondContact O-N 3.02Å
220	W	95.2	Very high	94.9	Very high	164 Å²	164	45.6 Å²	45.6	62%	0.621	21%	0.214	S	C	*	.	H	α-helix	trans	-68.6	-38.8	176.8	177.1	81	0	0	0	112.9	D216 K217 W218 L222 S223	D216-W220 WeakPolarHBondContact O-CB 3.47Å; K217-W220 PolarHBondContact O-N 2.92Å; W218-W220 VanDerWaalsContact C-N 3.29Å; W218-W220 PolarHBondContact O-N 3.1Å; W220-L222 PolarHBondContact O-N 2.99Å; W220-S223 PolarHBondContact O-N 3.38Å
221	M	92.2	Very high	94.9	Very high	59 Å²	59	44.2 Å²	44.2	29%	0.291	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-29.9	175.3	-75.2	170.1	55.3	0	0	112.6	S179 K217 W218 S223	S179-M221 VanDerWaalsContact O-CE 3.31Å; S179-M221 WeakPolarHBondContact O-CE 2.81Å; K217-M221 HydrophobicContact CD-SD 4.46Å; K217-M221 HydrophobicContact CG-SD 3.82Å; K217-M221 WeakPolarHBondContact O-CG 3.23Å; K217-M221 PolarHBondContact O-N 2.74Å; W218-M221 PolarHBondContact O-N 3.25Å; M221-S223 VanDerWaalsContact C-N 3.27Å; M221-S223 PolarHBondContact O-N 2.88Å
222	L	90.9	Very high	94.9	Very high	2 Å²	2	46 Å²	46	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	10.8	173.8	-65.6	168.1	0	0	0	114	L175 A178 N186 F188 L189 W218 L219 W220 A224	L175-L222 HydrophobicContact CD2-CD1 4Å; A178-L222 HydrophobicContact CB-CD1 4.19Å; A178-L222 WeakPolarHBondContact O-CD2 3.28Å; N186-L222 CarbonylContact O-C 3.55Å; F188-L222 HydrophobicContact CB-CD2 4.13Å; F188-L222 HydrophobicContact CD1-CD2 4.49Å; L189-L222 CarbonylContact C-O 3.58Å; L189-L222 WeakPolarHBondContact CA-O 3.49Å; L189-L222 HydrophobicContact CB-CB 3.99Å; L189-L222 HydrophobicContact CD1-CB 3.85Å; L189-L222 HydrophobicContact CD1-CD1 3.64Å; L189-L222 HydrophobicContact CD1-CG 4.39Å; L189-L222 HydrophobicContact CG-CB 3.86Å; L189-L222 HydrophobicContact CG-CD1 4.17Å; L189-L222 PolarHBondContact N-O 3.31Å; W218-L222 WeakPolarHBondContact O-CG 3.49Å; W218-L222 PolarHBondContact O-N 2.91Å; W218-L222 VanDerWaalsContact O-N 3.13Å; L219-L222 PolarHBondContact O-N 3.46Å; W220-L222 PolarHBondContact O-N 2.99Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 3.49Å
223	S	92.1	Very high	94.8	Very high	55 Å²	55	46 Å²	46	39%	0.385	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	22.7	-176.2	-58.9	0	0	0	0	116.2	N186 W220 M221	N186-S223 VanDerWaalsContact O-CB 3.27Å; N186-S223 WeakPolarHBondContact O-CB 3.2Å; N186-S223 PolarHBondContact O-N 3.25Å; N186-S223 PolarHBondContact O-OG 2.64Å; W220-S223 PolarHBondContact O-N 3.38Å; M221-S223 VanDerWaalsContact C-N 3.27Å; M221-S223 PolarHBondContact O-N 2.88Å
224	A	93.3	Very high	94.6	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	20%	0.2	C	C	.	.			trans	-63.4	143.9	169.1	0	0	0	0	0	110.8	L189 L192 Y194 L219 L222	L189-A224 HydrophobicContact CB-CB 4.03Å; L189-A224 WeakPolarHBondContact O-CA 3.39Å; L192-A224 HydrophobicContact CB-CB 4.09Å; L192-A224 HydrophobicContact CD2-CB 4Å; L192-A224 HydrophobicContact CG-CB 4.4Å; Y194-A224 HydrophobicContact CD1-CB 3.51Å; Y194-A224 HydrophobicContact CE1-CB 3.79Å; Y194-A224 WeakPolarHBondContact CE1-O 3.47Å; Y194-A224 HydrophobicContact CG-CB 4.44Å; L219-A224 HydrophobicContact CB-CB 4.13Å; L219-A224 WeakPolarHBondContact O-CB 3.44Å; L219-A224 PolarHBondContact O-N 3.02Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 3.49Å
225	R	93.6	Very high	94.3	Very high	160 Å²	160	43.2 Å²	43.2	60%	0.604	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	104.2	-174.9	-171.7	-179.6	-177.2	-173.8	3	111.7	L192 R193 Y194 V227	L192-R225 PolarHBondContact O-N 2.89Å; R193-R225 WeakPolarHBondContact CA-O 3.02Å; Y194-R225 PolarHBondContact N-O 2.82Å; R225-V227 PolarHBondContact O-N 2.86Å
226	R	95.3	Very high	93.9	Very high	96 Å²	96	44.6 Å²	44.6	36%	0.362	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	122.5	175.3	-162.2	179.9	-52.4	-162.5	-4.1	111.9	Y194 D216 L228	Y194-R226 HydrophobicContact CD1-CB 4.41Å; Y194-R226 HydrophobicContact CE1-CB 3.72Å; Y194-R226 HydrophobicContact CE1-CG 4.3Å; Y194-R226 HydrophobicContact CE2-CG 4.34Å; Y194-R226 CarbonylContact O-C 3.59Å; Y194-R226 WeakPolarHBondContact O-CA 3.49Å; Y194-R226 PolarHBondContact OH-NE 2.93Å; Y194-R226 PolarHBondContact OH-NH2 3.31Å; Y194-R226 VanDerWaalsContact OH-NH2 3.11Å; D216-R226 PolarHBondContact O-NH2 3.26Å; D216-R226 VanDerWaalsContact O-NH2 3.15Å; D216-R226 IonicContact OD1-CZ 3.84Å; D216-R226 IonicContact OD1-NE 3.1Å; D216-R226 PolarHBondContact OD1-NE 2.95Å; D216-R226 IonicContact OD1-NH1 2.73Å; D216-R226 PolarHBondContact OD1-NH1 3.37Å; D216-R226 IonicContact OD1-NH2 3.33Å; D216-R226 PolarHBondContact OD1-NH2 3.2Å; D216-R226 IonicContact OD2-CZ 3.14Å; D216-R226 IonicContact OD2-NE 2.91Å; D216-R226 IonicContact OD2-NH1 2.77Å; D216-R226 PolarHBondContact OD2-NH1 2.74Å; D216-R226 IonicContact OD2-NH2 2.75Å; D216-R226 PolarHBondContact OD2-NH2 3.17Å; R226-L228 WeakPolarHBondContact CG-O 3.46Å
227	V	94.1	Very high	93.3	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.115	24%	0.24	C	C	.	.	S	Bend	trans	-90	-31.1	179	-58.1	0	0	0	0	113.6	V151 R193 Y194 A195 R225 F256 L263	V151-V227 HydrophobicContact CG1-CG1 4.48Å; V151-V227 HydrophobicContact CG1-CG2 4.04Å; R193-V227 HydrophobicContact CB-CG1 3.83Å; Y194-V227 PolarHBondContact O-N 3.4Å; A195-V227 HydrophobicContact CB-CG2 3.89Å; R225-V227 PolarHBondContact O-N 2.86Å; V227-F256 HydrophobicContact CG2-CE2 4.17Å; V227-L263 HydrophobicContact CB-CD1 3.95Å; V227-L263 HydrophobicContact CG1-CD1 3.88Å
228	L	94.4	Very high	92.8	Very high	20 Å²	20	49.6 Å²	49.6	11%	0.105	25%	0.254	C	S	.	.	S	Bend	trans	-139.4	148.6	177.9	-178.5	64.7	0	0	0	109.5	A195 R226 W252 R255 F256	A195-L228 HydrophobicContact CB-CB 4.45Å; R226-L228 WeakPolarHBondContact CG-O 3.46Å; L228-W252 HydrophobicContact CD2-CD2 4.32Å; L228-W252 HydrophobicContact CD2-CG 4.43Å; L228-W252 HydrophobicContact CD2-CZ2 4.27Å; L228-R255 HydrophobicContact CD1-CB 4.43Å; L228-R255 HydrophobicContact CD2-CB 4.35Å; L228-F256 HydrophobicContact CD2-CB 3.77Å; L228-F256 HydrophobicContact CD2-CD2 4.35Å
229	S	94.1	Very high	92.2	Very high	56 Å²	56	55.7 Å²	55.7	39%	0.392	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-51.3	138.6	170.4	50.9	0	0	0	0	111.5	G231 W252 R255	S229-G231 PolarHBondContact O-N 3.39Å; S229-W252 PolarHBondContact O-NE1 3.45Å; S229-R255 PolarHBondContact OG-NH2 3.34Å
230	R	96.1	Very high	91.9	Very high	55 Å²	55	56.3 Å²	56.3	21%	0.208	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-48.7	131.9	172.2	177.9	174.4	63	76.5	5.9	110	V196 G212 T213 D216 E232	V196-R230 HydrophobicContact CB-CG 4.31Å; V196-R230 HydrophobicContact CG1-CG 4.43Å; V196-R230 CarbonylContact O-C 3.43Å; V196-R230 WeakPolarHBondContact O-CA 3.45Å; G212-R230 WeakPolarHBondContact O-CD 3.4Å; T213-R230 VanDerWaalsContact OG1-CZ 3.26Å; T213-R230 PolarHBondContact OG1-NH1 3.4Å; D216-R230 HydrophobicContact CB-CB 4.45Å; D216-R230 HydrophobicContact CB-CG 4.4Å; D216-R230 IonicContact OD2-NE 2.74Å; R230-E232 IonicContact CZ-OE1 2.75Å; R230-E232 VanDerWaalsContact CZ-OE1 3.25Å; R230-E232 IonicContact NH1-OE1 2.86Å; R230-E232 PolarHBondContact NH1-OE1 3.17Å; R230-E232 IonicContact NH2-OE1 3.8Å; R230-E232 PolarHBondContact NH2-OE1 3.07Å
231	G	95.8	Very high	91.5	Very high	5 Å²	5	56.7 Å²	56.7	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	151.2	171.7	0	0	0	0	0	111.6	V196 G198 S229	V196-G231 PolarHBondContact O-N 2.87Å; G198-G231 PolarHBondContact N-O 2.86Å; S229-G231 PolarHBondContact O-N 3.39Å
232	E	95.3	Very high	91.3	Very high	40 Å²	40	59 Å²	59	19%	0.187	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.3	179	-72.4	167	153	0	0	106.4	R230 R241	R230-E232 IonicContact CZ-OE1 2.75Å; R230-E232 VanDerWaalsContact CZ-OE1 3.25Å; R230-E232 IonicContact NH1-OE1 2.86Å; R230-E232 PolarHBondContact NH1-OE1 3.17Å; R230-E232 IonicContact NH2-OE1 3.8Å; R230-E232 PolarHBondContact NH2-OE1 3.07Å; E232-R241 IonicContact OE2-CZ 2.78Å; E232-R241 VanDerWaalsContact OE2-CZ 3.24Å; E232-R241 IonicContact OE2-NH1 3.75Å; E232-R241 PolarHBondContact OE2-NH1 3.1Å; E232-R241 IonicContact OE2-NH2 2.92Å; E232-R241 PolarHBondContact OE2-NH2 2.83Å
233	G	94.5	Very high	91	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.5	166.7	0	0	0	0	0	110.1	F197 G198 G200 N209	F197-G233 VanDerWaalsContact CZ-CA 3.45Å; G198-G233 PolarHBondContact O-N 3.24Å; G200-G233 PolarHBondContact N-O 2.91Å; N209-G233 PolarHBondContact ND2-O 3.21Å
234	D	93.2	Very high	91	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.011	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	179.7	-166.8	3.1	0	0	0	111.8	G200 N201 S202 Y208 N236 K239 S240 V245 D248	G200-D234 CarbonylContact O-C 3.57Å; G200-D234 WeakPolarHBondContact O-CA 3.14Å; N201-D234 WeakPolarHBondContact CA-OD1 3.49Å; S202-D234 WeakPolarHBondContact CB-OD2 3.15Å; S202-D234 PolarHBondContact N-OD1 3.05Å; Y208-D234 HydrophobicContact CE2-CB 4Å; D234-N236 PolarHBondContact O-N 2.85Å; D234-N236 WeakPolarHBondContact OD1-CB 3.33Å; D234-N236 PolarHBondContact OD1-N 3.38Å; D234-K239 VanDerWaalsContact OD2-C 3.3Å; D234-K239 WeakPolarHBondContact OD2-CB 3.27Å; D234-S240 PolarHBondContact OD2-N 3.48Å; D234-V245 PolarHBondContact O-N 2.98Å; D234-D248 PolarHBondContact N-OD2 3.01Å; D234-D248 VanDerWaalsContact N-OD2 3.17Å
235	G	89.6	Confident	91	Very high	37 Å²	37	60 Å²	60	38%	0.381	31%	0.308	S	S	.	.	S	Bend	trans	-68	-17	170.4	0	0	0	0	0	113.4	G200 V237	G200-G235 PolarHBondContact O-N 3.33Å; G235-V237 PolarHBondContact O-N 2.87Å
236	N	88.6	Confident	91	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.15	30%	0.301	C	S	.	.			trans	-80.3	100.8	172	-176.6	4.1	0	0	0	110.8	S202 V203 D234 V238 K239 S240	S202-N236 PolarHBondContact OG-ND2 3.12Å; V203-N236 HydrophobicContact CG2-CB 4.33Å; D234-N236 PolarHBondContact O-N 2.85Å; D234-N236 WeakPolarHBondContact OD1-CB 3.33Å; D234-N236 PolarHBondContact OD1-N 3.38Å; N236-V238 PolarHBondContact O-N 2.91Å; N236-V238 WeakPolarHBondContact OD1-CB 3.4Å; N236-V238 PolarHBondContact OD1-N 2.84Å; N236-V238 VanDerWaalsContact OD1-N 3.11Å; N236-K239 HydrophobicContact CB-CB 4.48Å; N236-K239 PolarHBondContact O-N 3.14Å; N236-S240 WeakPolarHBondContact O-CB 3.41Å; N236-S240 PolarHBondContact O-N 2.94Å
237	V	84.6	Confident	90.8	Very high	98 Å²	98	53.8 Å²	53.8	59%	0.594	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-32.8	175.9	170.4	0	0	0	0	113.2	G235	G235-V237 PolarHBondContact O-N 2.87Å
238	V	84.5	Confident	90.9	Very high	129 Å²	129	53.2 Å²	53.2	78%	0.782	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.9	-176.6	-172.9	0	0	0	0	113.1	N236	N236-V238 PolarHBondContact O-N 2.91Å; N236-V238 WeakPolarHBondContact OD1-CB 3.4Å; N236-V238 PolarHBondContact OD1-N 2.84Å; N236-V238 VanDerWaalsContact OD1-N 3.11Å
239	K	85.1	Confident	91	Very high	140 Å²	140	52.3 Å²	52.3	61%	0.609	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-10.8	-177.8	-73.2	179.6	170.2	178.5	0	114.1	S202 D234 N236	S202-K239 WeakPolarHBondContact OG-CB 3.29Å; S202-K239 WeakPolarHBondContact OG-CD 3.26Å; D234-K239 VanDerWaalsContact OD2-C 3.3Å; D234-K239 WeakPolarHBondContact OD2-CB 3.27Å; N236-K239 HydrophobicContact CB-CB 4.48Å; N236-K239 PolarHBondContact O-N 3.14Å
240	S	88.4	Confident	91.1	Very high	13 Å²	13	57 Å²	57	9%	0.091	30%	0.295	C	S	.	.	S	Bend	trans	-54.9	134.8	166.9	172.3	0	0	0	0	111.6	D234 N236 H242 G243 S244 D248	D234-S240 PolarHBondContact OD2-N 3.48Å; N236-S240 WeakPolarHBondContact O-CB 3.41Å; N236-S240 PolarHBondContact O-N 2.94Å; S240-H242 PolarHBondContact O-N 3.37Å; S240-H242 PolarHBondContact OG-N 3.21Å; S240-G243 PolarHBondContact O-N 3Å; S240-G243 PolarHBondContact OG-N 3.42Å; S240-G243 VanDerWaalsContact OG-N 3.14Å; S240-S244 PolarHBondContact OG-N 3.37Å; S240-S244 PolarHBondContact OG-O 3.09Å; S240-D248 WeakPolarHBondContact CB-OD2 3.33Å; S240-D248 PolarHBondContact OG-OD1 3.23Å; S240-D248 PolarHBondContact OG-OD2 3.27Å
241	R	87	Confident	91	Very high	172 Å²	172	55.7 Å²	55.7	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.8	-177.2	-63.4	-178.3	-179.3	133.1	5.8	112.8	E232 D248	E232-R241 IonicContact OE2-CZ 2.78Å; E232-R241 VanDerWaalsContact OE2-CZ 3.24Å; E232-R241 IonicContact OE2-NH1 3.75Å; E232-R241 PolarHBondContact OE2-NH1 3.1Å; E232-R241 IonicContact OE2-NH2 2.92Å; E232-R241 PolarHBondContact OE2-NH2 2.83Å; R241-D248 PolarHBondContact N-OD1 3.33Å
242	H	87.7	Confident	91.1	Very high	106 Å²	106	55.8 Å²	55.8	49%	0.491	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	19.2	178.2	-47.9	82.1	0	0	0	112.1	S240 S244 A247 D248 A251	S240-H242 PolarHBondContact O-N 3.37Å; S240-H242 PolarHBondContact OG-N 3.21Å; H242-S244 VanDerWaalsContact C-N 3.32Å; H242-S244 PolarHBondContact O-N 3.1Å; H242-A247 HydrophobicContact CB-CB 3.57Å; H242-A247 WeakPolarHBondContact O-CB 3.41Å; H242-D248 IonicContact CE1-OD1 2.67Å; H242-D248 IonicContact CG-OD1 3.65Å; H242-D248 PolarHBondContact N-OD1 3.46Å; H242-D248 IonicContact ND1-OD1 3.05Å; H242-D248 PolarHBondContact ND1-OD1 3.09Å; H242-A251 WeakPolarHBondContact NE2-CB 3.37Å
243	G	84.7	Confident	91.2	Very high	34 Å²	34	54.1 Å²	54.1	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	77	1.6	175.8	0	0	0	0	0	116.6	S240	S240-G243 PolarHBondContact O-N 3Å; S240-G243 PolarHBondContact OG-N 3.42Å; S240-G243 VanDerWaalsContact OG-N 3.14Å
244	S	91.6	Very high	91.3	Very high	32 Å²	32	58.5 Å²	58.5	22%	0.224	31%	0.314	C	S	.	.	S	Bend	trans	-167.8	155.1	168.9	58.2	0	0	0	0	112.1	S240 H242 Q246 A247 D248	S240-S244 PolarHBondContact OG-N 3.37Å; S240-S244 PolarHBondContact OG-O 3.09Å; H242-S244 VanDerWaalsContact C-N 3.32Å; H242-S244 PolarHBondContact O-N 3.1Å; S244-Q246 PolarHBondContact O-N 3.1Å; S244-A247 PolarHBondContact O-N 2.94Å; S244-A247 VanDerWaalsContact OG-CB 3.24Å; S244-A247 WeakPolarHBondContact OG-CB 3.35Å; S244-A247 PolarHBondContact OG-N 2.96Å; S244-A247 VanDerWaalsContact OG-N 3.11Å; S244-D248 PolarHBondContact O-N 3.39Å
245	V	92.3	Very high	91.4	Very high	19 Å²	19	65 Å²	65	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-55.2	-33.9	172.1	65.7	0	0	0	0	112.6	F113 L199 D234 F249	F113-V245 HydrophobicContact CE2-CG2 4.16Å; F113-V245 HydrophobicContact CZ-CG2 4.47Å; L199-V245 HydrophobicContact CB-CG2 4.48Å; L199-V245 HydrophobicContact CD2-CG2 4.31Å; L199-V245 HydrophobicContact CG-CG2 4.32Å; D234-V245 PolarHBondContact O-N 2.98Å; V245-F249 VanDerWaalsContact O-CB 3.29Å; V245-F249 WeakPolarHBondContact O-CB 3.29Å; V245-F249 PolarHBondContact O-N 2.81Å
246	Q	93.9	Very high	91.7	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-68.5	-40	174.3	-64.6	81.4	-3.9	0	0	112.3	F113 S244 R250	F113-Q246 HydrophobicContact CE1-CG 4.07Å; F113-Q246 HydrophobicContact CZ-CB 4.45Å; F113-Q246 HydrophobicContact CZ-CG 4.06Å; S244-Q246 PolarHBondContact O-N 3.1Å; Q246-R250 WeakPolarHBondContact O-CB 3.36Å; Q246-R250 PolarHBondContact O-N 3.42Å
247	A	92.4	Very high	92	Very high	27 Å²	27	62.5 Å²	62.5	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-73.4	-39.6	177.9	0	0	0	0	0	111.9	H242 S244 F249 R250 A251	H242-A247 HydrophobicContact CB-CB 3.57Å; H242-A247 WeakPolarHBondContact O-CB 3.41Å; S244-A247 PolarHBondContact O-N 2.94Å; S244-A247 VanDerWaalsContact OG-CB 3.24Å; S244-A247 WeakPolarHBondContact OG-CB 3.35Å; S244-A247 PolarHBondContact OG-N 2.96Å; S244-A247 VanDerWaalsContact OG-N 3.11Å; A247-F249 VanDerWaalsContact C-N 3.34Å; A247-F249 PolarHBondContact O-N 3.32Å; A247-R250 PolarHBondContact O-N 3.13Å; A247-A251 WeakPolarHBondContact O-CB 3.27Å; A247-A251 PolarHBondContact O-N 3.45Å
248	D	94.8	Very high	92.5	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-45.3	170.7	-72.7	-37.3	0	0	0	111.3	F197 D234 S240 R241 H242 S244 A251 W252	F197-D248 HydrophobicContact CZ-CB 4.26Å; D234-D248 PolarHBondContact N-OD2 3.01Å; D234-D248 VanDerWaalsContact N-OD2 3.17Å; S240-D248 WeakPolarHBondContact CB-OD2 3.33Å; S240-D248 PolarHBondContact OG-OD1 3.23Å; S240-D248 PolarHBondContact OG-OD2 3.27Å; R241-D248 PolarHBondContact N-OD1 3.33Å; H242-D248 IonicContact CE1-OD1 2.67Å; H242-D248 IonicContact CG-OD1 3.65Å; H242-D248 PolarHBondContact N-OD1 3.46Å; H242-D248 IonicContact ND1-OD1 3.05Å; H242-D248 PolarHBondContact ND1-OD1 3.09Å; S244-D248 PolarHBondContact O-N 3.39Å; D248-A251 PolarHBondContact O-N 2.83Å; D248-W252 WeakPolarHBondContact O-CB 3.44Å; D248-W252 PolarHBondContact O-N 2.97Å
249	F	97	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-46.7	174.8	175.3	-113.2	0	0	0	111.6	F113 L117 L155 F197 V245 A247 A251 W252 K253	F113-F249 HydrophobicContact CB-CD1 4.02Å; F113-F249 HydrophobicContact CB-CD2 4.24Å; F113-F249 HydrophobicContact CB-CE1 3.64Å; F113-F249 HydrophobicContact CB-CE2 3.89Å; F113-F249 HydrophobicContact CB-CG 4.3Å; F113-F249 HydrophobicContact CB-CZ 3.58Å; F113-F249 AromaticContact CD1-CD1 3.45Å; F113-F249 HydrophobicContact CD1-CD1 3.45Å; F113-F249 VanDerWaalsContact CD1-CD1 3.45Å; F113-F249 AromaticContact CD1-CE1 3.72Å; F113-F249 HydrophobicContact CD1-CE1 3.72Å; F113-F249 HydrophobicContact CD1-CG 4.05Å; F113-F249 HydrophobicContact CD2-CB 4Å; F113-F249 AromaticContact CD2-CD1 3.93Å; F113-F249 HydrophobicContact CD2-CD1 3.93Å; F113-F249 AromaticContact CD2-CD2 3.91Å; F113-F249 HydrophobicContact CD2-CD2 3.91Å; F113-F249 HydrophobicContact CD2-CE1 4.41Å; F113-F249 HydrophobicContact CD2-CE2 4.41Å; F113-F249 AromaticContact CD2-CG 3.65Å; F113-F249 HydrophobicContact CD2-CG 3.65Å; F113-F249 HydrophobicContact CE1-CB 4.37Å; F113-F249 AromaticContact CE1-CD1 3.82Å; F113-F249 HydrophobicContact CE1-CD1 3.82Å; F113-F249 HydrophobicContact CE1-CG 4.27Å; F113-F249 HydrophobicContact CE2-CB 3.71Å; F113-F249 HydrophobicContact CE2-CD1 4.25Å; F113-F249 HydrophobicContact CE2-CD2 4.48Å; F113-F249 AromaticContact CE2-CG 3.89Å; F113-F249 HydrophobicContact CE2-CG 3.89Å; F113-F249 HydrophobicContact CG-CB 4.47Å; F113-F249 AromaticContact CG-CD1 3.53Å; F113-F249 HydrophobicContact CG-CD1 3.53Å; F113-F249 HydrophobicContact CG-CD2 4.1Å; F113-F249 AromaticContact CG-CE1 3.68Å; F113-F249 HydrophobicContact CG-CE1 3.68Å; F113-F249 HydrophobicContact CG-CE2 4.25Å; F113-F249 AromaticContact CG-CG 3.75Å; F113-F249 HydrophobicContact CG-CG 3.75Å; F113-F249 HydrophobicContact CG-CZ 4.05Å; F113-F249 HydrophobicContact CZ-CB 3.92Å; F113-F249 HydrophobicContact CZ-CD1 4.21Å; F113-F249 HydrophobicContact CZ-CG 4.21Å; F113-F249 WeakPolarHBondContact O-CZ 3.23Å; L117-F249 HydrophobicContact CB-CZ 4.27Å; L155-F249 HydrophobicContact CD1-CE2 4.39Å; L155-F249 HydrophobicContact CD2-CE2 4.3Å; F197-F249 HydrophobicContact CD1-CD2 4.09Å; F197-F249 HydrophobicContact CD2-CD2 4.34Å; F197-F249 HydrophobicContact CE1-CB 3.94Å; F197-F249 HydrophobicContact CE1-CD2 4.12Å; F197-F249 HydrophobicContact CE1-CG 4.48Å; F197-F249 HydrophobicContact CE2-CB 4.25Å; F197-F249 HydrophobicContact CE2-CD2 4.39Å; F197-F249 HydrophobicContact CG-CD2 4.22Å; F197-F249 VanDerWaalsContact CZ-CA 3.41Å; F197-F249 HydrophobicContact CZ-CB 3.67Å; F197-F249 HydrophobicContact CZ-CD2 4.28Å; F197-F249 HydrophobicContact CZ-CG 4.5Å; V245-F249 VanDerWaalsContact O-CB 3.29Å; V245-F249 WeakPolarHBondContact O-CB 3.29Å; V245-F249 PolarHBondContact O-N 2.81Å; A247-F249 VanDerWaalsContact C-N 3.34Å; A247-F249 PolarHBondContact O-N 3.32Å; F249-A251 PolarHBondContact O-N 3.22Å; F249-W252 HydrophobicContact CD2-CE3 4.33Å; F249-W252 HydrophobicContact CE2-CE3 4.2Å; F249-W252 HydrophobicContact CE2-CZ3 4.26Å; F249-W252 PolarHBondContact O-N 3.44Å; F249-K253 HydrophobicContact CE1-CD 3.98Å; F249-K253 HydrophobicContact CZ-CB 4.41Å; F249-K253 HydrophobicContact CZ-CD 4.04Å; F249-K253 VanDerWaalsContact O-CB 3.23Å; F249-K253 WeakPolarHBondContact O-CB 3.42Å; F249-K253 PolarHBondContact O-N 3.3Å
250	R	95.8	Very high	93.3	Very high	154 Å²	154	50.7 Å²	50.7	58%	0.581	25%	0.254	S	S	*	.	H	α-helix	trans	-59.8	-44.2	178	-171.7	176.8	-66.2	168.2	0.1	112.2	Q246 A247 W252 K253 V254	Q246-R250 WeakPolarHBondContact O-CB 3.36Å; Q246-R250 PolarHBondContact O-N 3.42Å; A247-R250 PolarHBondContact O-N 3.13Å; R250-W252 PolarHBondContact O-N 3.01Å; R250-K253 PolarHBondContact O-N 3.37Å; R250-V254 WeakPolarHBondContact O-CG2 3.32Å; R250-V254 PolarHBondContact O-N 3.49Å
251	A	95.2	Very high	93.5	Very high	29 Å²	29	56.4 Å²	56.4	24%	0.24	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-38.1	176.9	0	0	0	0	0	112.5	H242 A247 D248 F249 R255	H242-A251 WeakPolarHBondContact NE2-CB 3.37Å; A247-A251 WeakPolarHBondContact O-CB 3.27Å; A247-A251 PolarHBondContact O-N 3.45Å; D248-A251 PolarHBondContact O-N 2.83Å; F249-A251 PolarHBondContact O-N 3.22Å; A251-R255 WeakPolarHBondContact O-CG 3.46Å
252	W	97.3	Very high	93.6	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-70.1	-42.6	173.3	-179.4	94	0	0	0	112.4	V153 L155 A195 F197 L228 S229 D248 F249 R250 V254 R255 F256	V153-W252 HydrophobicContact CG1-CH2 3.83Å; L155-W252 HydrophobicContact CD2-CH2 4.33Å; L155-W252 HydrophobicContact CD2-CZ3 4.24Å; A195-W252 HydrophobicContact CB-CH2 4.35Å; A195-W252 HydrophobicContact CB-CZ2 3.94Å; F197-W252 HydrophobicContact CB-CD2 4.23Å; F197-W252 HydrophobicContact CB-CE3 4.26Å; F197-W252 HydrophobicContact CB-CH2 4.21Å; F197-W252 HydrophobicContact CB-CZ2 4.13Å; F197-W252 HydrophobicContact CB-CZ3 4.27Å; F197-W252 HydrophobicContact CD2-CB 3.77Å; F197-W252 AromaticContact CD2-CD1 3.99Å; F197-W252 AromaticContact CD2-CD2 3.62Å; F197-W252 HydrophobicContact CD2-CD2 3.62Å; F197-W252 AromaticContact CD2-CE3 3.98Å; F197-W252 HydrophobicContact CD2-CE3 3.98Å; F197-W252 AromaticContact CD2-CG 3.53Å; F197-W252 HydrophobicContact CD2-CG 3.53Å; F197-W252 HydrophobicContact CE2-CB 3.74Å; F197-W252 HydrophobicContact CE2-CD2 4.48Å; F197-W252 HydrophobicContact CE2-CG 4.03Å; F197-W252 HydrophobicContact CG-CD2 4.33Å; F197-W252 HydrophobicContact CG-CE3 4.4Å; L228-W252 HydrophobicContact CD2-CD2 4.32Å; L228-W252 HydrophobicContact CD2-CG 4.43Å; L228-W252 HydrophobicContact CD2-CZ2 4.27Å; S229-W252 PolarHBondContact O-NE1 3.45Å; D248-W252 WeakPolarHBondContact O-CB 3.44Å; D248-W252 PolarHBondContact O-N 2.97Å; F249-W252 HydrophobicContact CD2-CE3 4.33Å; F249-W252 HydrophobicContact CE2-CE3 4.2Å; F249-W252 HydrophobicContact CE2-CZ3 4.26Å; F249-W252 PolarHBondContact O-N 3.44Å; R250-W252 PolarHBondContact O-N 3.01Å; W252-V254 PolarHBondContact O-N 3.04Å; W252-R255 CarbonylContact O-C 3.6Å; W252-R255 WeakPolarHBondContact O-CB 3.46Å; W252-R255 PolarHBondContact O-N 2.96Å; W252-R255 VanDerWaalsContact O-N 3.14Å; W252-F256 HydrophobicContact CE3-CB 4.35Å; W252-F256 HydrophobicContact CH2-CB 4.33Å; W252-F256 HydrophobicContact CH2-CD2 4.16Å; W252-F256 HydrophobicContact CH2-CG 4.22Å; W252-F256 HydrophobicContact CZ2-CD2 4.45Å; W252-F256 HydrophobicContact CZ3-CB 4.17Å; W252-F256 HydrophobicContact CZ3-CG 4.35Å; W252-F256 PolarHBondContact O-N 3.33Å
253	K	96.8	Very high	93.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-47.5	179.8	-177.2	177.8	71.9	163.8	0	111.9	E116 L117 E120 F249 R250 R255 F256 L257	E116-K253 IonicContact OE1-NZ 3.54Å; E116-K253 PolarHBondContact OE1-NZ 2.97Å; L117-K253 HydrophobicContact CD1-CD 4.46Å; L117-K253 HydrophobicContact CD1-CG 4.03Å; E120-K253 WeakPolarHBondContact OE1-CE 3.33Å; E120-K253 IonicContact OE1-NZ 2.81Å; E120-K253 PolarHBondContact OE1-NZ 3.45Å; E120-K253 VanDerWaalsContact OE2-CD 3.31Å; E120-K253 WeakPolarHBondContact OE2-CD 3.29Å; E120-K253 WeakPolarHBondContact OE2-CE 3.37Å; E120-K253 IonicContact OE2-NZ 3.75Å; E120-K253 PolarHBondContact OE2-NZ 3.46Å; F249-K253 HydrophobicContact CE1-CD 3.98Å; F249-K253 HydrophobicContact CZ-CB 4.41Å; F249-K253 HydrophobicContact CZ-CD 4.04Å; F249-K253 VanDerWaalsContact O-CB 3.23Å; F249-K253 WeakPolarHBondContact O-CB 3.42Å; F249-K253 PolarHBondContact O-N 3.3Å; R250-K253 PolarHBondContact O-N 3.37Å; K253-R255 VanDerWaalsContact C-N 3.28Å; K253-R255 PolarHBondContact O-N 3.16Å; K253-F256 WeakPolarHBondContact O-CB 3.47Å; K253-F256 PolarHBondContact O-N 3.42Å; K253-F256 VanDerWaalsContact O-N 3.09Å; K253-L257 HydrophobicContact CG-CD1 3.93Å; K253-L257 HydrophobicContact CG-CG 4.41Å; K253-L257 WeakPolarHBondContact O-CG 3.47Å; K253-L257 PolarHBondContact O-N 2.83Å
254	V	95.9	Very high	93.8	Very high	92 Å²	92	45 Å²	45	56%	0.558	23%	0.228	S	C	*	.	H	α-helix	trans	-58	-41.5	175.6	170.8	0	0	0	0	111.4	R250 W252 S258	R250-V254 WeakPolarHBondContact O-CG2 3.32Å; R250-V254 PolarHBondContact O-N 3.49Å; W252-V254 PolarHBondContact O-N 3.04Å; V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.17Å; V254-S258 PolarHBondContact O-N 3.22Å
255	R	96.3	Very high	93.6	Very high	138 Å²	138	52.7 Å²	52.7	52%	0.521	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-36.1	176.1	-67.1	171.6	63	-146.8	-5.5	112.3	L228 S229 A251 W252 K253 R259	L228-R255 HydrophobicContact CD1-CB 4.43Å; L228-R255 HydrophobicContact CD2-CB 4.35Å; S229-R255 PolarHBondContact OG-NH2 3.34Å; A251-R255 WeakPolarHBondContact O-CG 3.46Å; W252-R255 CarbonylContact O-C 3.6Å; W252-R255 WeakPolarHBondContact O-CB 3.46Å; W252-R255 PolarHBondContact O-N 2.96Å; W252-R255 VanDerWaalsContact O-N 3.14Å; K253-R255 VanDerWaalsContact C-N 3.28Å; K253-R255 PolarHBondContact O-N 3.16Å; R255-R259 WeakPolarHBondContact O-CB 3.39Å; R255-R259 PolarHBondContact O-N 3.23Å
256	F	96.3	Very high	93	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-51.1	175.2	178.1	-97.2	0	0	0	111.9	V99 L117 V121 V151 V153 A195 V227 L228 W252 K253 S258 R259 L260	V99-F256 HydrophobicContact CG1-CZ 4.38Å; L117-F256 HydrophobicContact CD1-CD1 3.84Å; L117-F256 HydrophobicContact CD1-CE1 4.12Å; L117-F256 HydrophobicContact CD2-CE1 4.49Å; V121-F256 HydrophobicContact CG2-CE1 4.42Å; V151-F256 HydrophobicContact CG1-CE2 4.26Å; V151-F256 HydrophobicContact CG1-CZ 4.23Å; V153-F256 HydrophobicContact CG2-CE1 4.03Å; V153-F256 HydrophobicContact CG2-CE2 3.69Å; V153-F256 HydrophobicContact CG2-CZ 3.33Å; A195-F256 HydrophobicContact CB-CD2 4Å; A195-F256 HydrophobicContact CB-CE2 3.86Å; V227-F256 HydrophobicContact CG2-CE2 4.17Å; L228-F256 HydrophobicContact CD2-CB 3.77Å; L228-F256 HydrophobicContact CD2-CD2 4.35Å; W252-F256 HydrophobicContact CE3-CB 4.35Å; W252-F256 HydrophobicContact CH2-CB 4.33Å; W252-F256 HydrophobicContact CH2-CD2 4.16Å; W252-F256 HydrophobicContact CH2-CG 4.22Å; W252-F256 HydrophobicContact CZ2-CD2 4.45Å; W252-F256 HydrophobicContact CZ3-CB 4.17Å; W252-F256 HydrophobicContact CZ3-CG 4.35Å; W252-F256 PolarHBondContact O-N 3.33Å; K253-F256 WeakPolarHBondContact O-CB 3.47Å; K253-F256 PolarHBondContact O-N 3.42Å; K253-F256 VanDerWaalsContact O-N 3.09Å; F256-S258 PolarHBondContact O-N 3.05Å; F256-R259 CarbonylContact O-C 3.58Å; F256-R259 WeakPolarHBondContact O-CA 3.43Å; F256-R259 PolarHBondContact O-N 3Å; F256-L260 HydrophobicContact CE1-CD2 4.08Å; F256-L260 HydrophobicContact CZ-CD1 4.46Å; F256-L260 WeakPolarHBondContact O-CB 3.4Å; F256-L260 PolarHBondContact O-N 3.27Å
257	L	95.3	Very high	92.2	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.068	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-40	179.9	-66.6	169.7	0	0	0	112.1	L117 E120 V121 L124 K253 R259 L260 R261	L117-L257 HydrophobicContact CD1-CD2 4.2Å; E120-L257 HydrophobicContact CB-CD1 3.8Å; E120-L257 HydrophobicContact CB-CD2 4.47Å; E120-L257 WeakPolarHBondContact OE2-CD1 3.49Å; V121-L257 HydrophobicContact CG2-CD2 3.62Å; L124-L257 HydrophobicContact CD1-CD2 4.02Å; K253-L257 HydrophobicContact CG-CD1 3.93Å; K253-L257 HydrophobicContact CG-CG 4.41Å; K253-L257 WeakPolarHBondContact O-CG 3.47Å; K253-L257 PolarHBondContact O-N 2.83Å; L257-R259 VanDerWaalsContact C-N 3.35Å; L257-R259 PolarHBondContact O-N 3.41Å; L257-L260 PolarHBondContact O-N 2.99Å; L257-R261 WeakPolarHBondContact O-CG 3.4Å; L257-R261 PolarHBondContact O-N 2.77Å
258	S	94.3	Very high	90.6	Very high	75 Å²	75	60.1 Å²	60.1	52%	0.524	28%	0.283	S	S	.	.	H	α-helix	trans	-58	-46.1	170.7	-179	0	0	0	0	111.6	V254 F256 L260 R261 A262	V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.17Å; V254-S258 PolarHBondContact O-N 3.22Å; F256-S258 PolarHBondContact O-N 3.05Å; S258-L260 VanDerWaalsContact C-N 3.35Å; S258-L260 PolarHBondContact O-N 3.18Å; S258-R261 PolarHBondContact O-N 3.42Å; S258-A262 PolarHBondContact O-N 2.98Å
259	R	93.5	Very high	88.8	Confident	41 Å²	41	66.2 Å²	66.2	16%	0.155	31%	0.31	C	S	.	.	H	α-helix	trans	-69	-30.8	177.3	-176.3	58.8	-163.6	141.4	9.6	113.3	R255 F256 L257 L263 E267	R255-R259 WeakPolarHBondContact O-CB 3.39Å; R255-R259 PolarHBondContact O-N 3.23Å; F256-R259 CarbonylContact O-C 3.58Å; F256-R259 WeakPolarHBondContact O-CA 3.43Å; F256-R259 PolarHBondContact O-N 3Å; L257-R259 VanDerWaalsContact C-N 3.35Å; L257-R259 PolarHBondContact O-N 3.41Å; R259-L263 HydrophobicContact CG-CD1 4.4Å; R259-L263 WeakPolarHBondContact O-CG 3.46Å; R259-L263 PolarHBondContact O-N 2.83Å; R259-E267 PolarHBondContact NH1-O 3.26Å; R259-E267 VanDerWaalsContact NH1-O 3.09Å; R259-E267 PolarHBondContact NH2-O 2.87Å
260	L	93	Very high	86.2	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-44	177	-172.4	67.4	0	0	0	111.2	V96 V99 V121 L124 I126 V151 F256 L257 S258 A262 L263 A264	V96-L260 HydrophobicContact CG1-CD1 4.11Å; V96-L260 HydrophobicContact CG2-CD1 4.5Å; V99-L260 HydrophobicContact CG2-CD1 3.89Å; V99-L260 HydrophobicContact CG2-CD2 3.78Å; V99-L260 HydrophobicContact CG2-CG 4.49Å; V121-L260 HydrophobicContact CB-CD2 4.5Å; V121-L260 HydrophobicContact CG1-CD2 3.89Å; V121-L260 HydrophobicContact CG2-CD2 3.88Å; L124-L260 HydrophobicContact CD1-CD2 4.37Å; I126-L260 HydrophobicContact CD1-CD2 3.92Å; I126-L260 HydrophobicContact CD1-CG 3.87Å; V151-L260 HydrophobicContact CG2-CD1 4.15Å; F256-L260 HydrophobicContact CE1-CD2 4.08Å; F256-L260 HydrophobicContact CZ-CD1 4.46Å; F256-L260 WeakPolarHBondContact O-CB 3.4Å; F256-L260 PolarHBondContact O-N 3.27Å; L257-L260 PolarHBondContact O-N 2.99Å; S258-L260 VanDerWaalsContact C-N 3.35Å; S258-L260 PolarHBondContact O-N 3.18Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.37Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 2.98Å; L260-L263 VanDerWaalsContact O-N 3.14Å; L260-A264 PolarHBondContact O-N 2.87Å
261	R	91.9	Very high	83.4	Confident	134 Å²	134	69.7 Å²	69.7	51%	0.506	36%	0.356	S	S	.	.	H	α-helix	trans	-56.7	-46.7	172.2	-69.7	170.2	-179.4	172.6	-3.2	111.6	L124 L257 S258 L263 A264 R265	L124-R261 HydrophobicContact CD1-CG 3.81Å; L257-R261 WeakPolarHBondContact O-CG 3.4Å; L257-R261 PolarHBondContact O-N 2.77Å; S258-R261 PolarHBondContact O-N 3.42Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-L263 PolarHBondContact O-N 3.43Å; R261-A264 PolarHBondContact O-N 3.06Å; R261-R265 WeakPolarHBondContact O-CG 3.43Å; R261-R265 PolarHBondContact O-N 3.44Å; R261-R265 VanDerWaalsContact O-N 3.11Å
262	A	90	Very high	80.8	Confident	12 Å²	12	73.1 Å²	73.1	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-41.7	175.3	0	0	0	0	0	112.1	S258 L260 R265 G266 E267	S258-A262 PolarHBondContact O-N 2.98Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.37Å; A262-R265 PolarHBondContact O-N 3.44Å; A262-G266 PolarHBondContact O-N 3.1Å; A262-E267 HydrophobicContact CB-CB 4.09Å; A262-E267 HydrophobicContact CB-CG 4.43Å; A262-E267 VanDerWaalsContact CB-OE2 3.26Å; A262-E267 WeakPolarHBondContact CB-OE2 3.41Å; A262-E267 WeakPolarHBondContact O-CB 3.39Å; A262-E267 WeakPolarHBondContact O-CG 3.18Å; A262-E267 PolarHBondContact O-N 3.38Å
263	L	89.2	Confident	77.8	Confident	22 Å²	22	75.1 Å²	75.1	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-40.9	175.3	-79.9	168.5	0	0	0	113	H95 V96 V227 R259 L260 R261 R265 G266	H95-L263 WeakPolarHBondContact CB-O 3.33Å; V96-L263 HydrophobicContact CG2-CB 3.81Å; V227-L263 HydrophobicContact CB-CD1 3.95Å; V227-L263 HydrophobicContact CG1-CD1 3.88Å; R259-L263 HydrophobicContact CG-CD1 4.4Å; R259-L263 WeakPolarHBondContact O-CG 3.46Å; R259-L263 PolarHBondContact O-N 2.83Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 2.98Å; L260-L263 VanDerWaalsContact O-N 3.14Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-L263 PolarHBondContact O-N 3.43Å; L263-R265 VanDerWaalsContact C-N 3.25Å; L263-R265 PolarHBondContact O-N 2.73Å; L263-G266 PolarHBondContact O-N 2.87Å
264	A	87.5	Confident	74.9	Confident	38 Å²	38	82.7 Å²	82.7	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-65.1	-29.1	177.3	0	0	0	0	0	112.6	V96 I126 L260 R261 G266	V96-A264 HydrophobicContact CB-CB 4.39Å; V96-A264 HydrophobicContact CG2-CB 4.32Å; I126-A264 HydrophobicContact CD1-CB 4.17Å; L260-A264 PolarHBondContact O-N 2.87Å; R261-A264 PolarHBondContact O-N 3.06Å; A264-G266 VanDerWaalsContact C-N 3.28Å; A264-G266 PolarHBondContact O-N 2.89Å
265	R	86.8	Confident	72.1	Confident	193 Å²	193	83.4 Å²	83.4	73%	0.728	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.1	171.8	-67.5	171.8	176.1	-172.6	-4.2	114.4	R261 A262 L263 E267	R261-R265 WeakPolarHBondContact O-CG 3.43Å; R261-R265 PolarHBondContact O-N 3.44Å; R261-R265 VanDerWaalsContact O-N 3.11Å; A262-R265 PolarHBondContact O-N 3.44Å; L263-R265 VanDerWaalsContact C-N 3.25Å; L263-R265 PolarHBondContact O-N 2.73Å; R265-E267 VanDerWaalsContact C-N 3.3Å; R265-E267 HydrophobicContact CB-CG 4.09Å; R265-E267 VanDerWaalsContact CD-OE1 3.31Å; R265-E267 WeakPolarHBondContact CD-OE1 3.38Å; R265-E267 PolarHBondContact O-N 2.9Å
266	G	79.4	Confident	69.3	Low	19 Å²	19	86.2 Å²	86.2	20%	0.196	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	12.6	-178.5	0	0	0	0	0	115.9	H95 A262 L263 A264 K268	H95-G266 WeakPolarHBondContact CD2-CA 3.49Å; A262-G266 PolarHBondContact O-N 3.1Å; L263-G266 PolarHBondContact O-N 2.87Å; A264-G266 VanDerWaalsContact C-N 3.28Å; A264-G266 PolarHBondContact O-N 2.89Å; G266-K268 PolarHBondContact O-N 2.61Å
267	E	76.9	Confident	66.6	Low	92 Å²	92	92 Å²	92	43%	0.43	51%	0.506	S	S	.	.			trans	-68.1	92.7	-177.5	-58.9	171.2	-150.2	0	0	111.6	R259 A262 R265 K269	R259-E267 PolarHBondContact NH1-O 3.26Å; R259-E267 VanDerWaalsContact NH1-O 3.09Å; R259-E267 PolarHBondContact NH2-O 2.87Å; A262-E267 HydrophobicContact CB-CB 4.09Å; A262-E267 HydrophobicContact CB-CG 4.43Å; A262-E267 VanDerWaalsContact CB-OE2 3.26Å; A262-E267 WeakPolarHBondContact CB-OE2 3.41Å; A262-E267 WeakPolarHBondContact O-CB 3.39Å; A262-E267 WeakPolarHBondContact O-CG 3.18Å; A262-E267 PolarHBondContact O-N 3.38Å; R265-E267 VanDerWaalsContact C-N 3.3Å; R265-E267 HydrophobicContact CB-CG 4.09Å; R265-E267 VanDerWaalsContact CD-OE1 3.31Å; R265-E267 WeakPolarHBondContact CD-OE1 3.38Å; R265-E267 PolarHBondContact O-N 2.9Å; E267-K269 PolarHBondContact O-N 2.95Å
268	K	59.9	Low	63.7	Low	189 Å²	189	94.8 Å²	94.8	82%	0.822	54%	0.539	S	S	*	.			trans	-61.7	114.4	170.6	-69.4	170.9	-172.7	166	0	108.4	G266 S270	G266-K268 PolarHBondContact O-N 2.61Å; K268-S270 PolarHBondContact O-N 2.84Å; K268-S270 VanDerWaalsContact O-N 3.14Å
269	K	55.6	Low	60.8	Low	135 Å²	135	95.8 Å²	95.8	59%	0.587	55%	0.552	S	S	*	*			trans	-60.7	115.3	-176.7	-160.5	-169.8	179.2	-174.4	0	110.2	E267	E267-K269 PolarHBondContact O-N 2.95Å
270	S	42.6	Very low	57.8	Low	95 Å²	95	99.4 Å²	99.4	66%	0.664	58%	0.583	S	S	*	*			trans	-65.9	148.3	162	55.4	0	0	0	0	109.5	K268 S272	K268-S270 PolarHBondContact O-N 2.84Å; K268-S270 VanDerWaalsContact O-N 3.14Å; S270-S272 VanDerWaalsContact C-N 3.29Å; S270-S272 PolarHBondContact O-N 2.84Å
271	C	38.2	Very low	54.6	Low	133 Å²	133	105.4 Å²	105.4	90%	0.899	62%	0.623	S	S	*	*			trans	-74.4	85.4	176.6	-74.3	0	0	0	0	110.2	G273	C271-G273 PolarHBondContact O-N 2.83Å
272	S	39.3	Very low	51.5	Low	101 Å²	101	108.1 Å²	108.1	71%	0.706	64%	0.639	S	S	*	*			trans	-70.1	53.1	169.5	67.6	0	0	0	0	111.6	S270	S270-S272 VanDerWaalsContact C-N 3.29Å; S270-S272 PolarHBondContact O-N 2.84Å
273	G	36.2	Very low	48.5	Very low	49 Å²	49	116 Å²	116	51%	0.505	68%	0.68	S	S	.	*			trans	-92.7	109.2	175.2	0	0	0	0	0	109.2	C271 C275	C271-G273 PolarHBondContact O-N 2.83Å; G273-C275 PolarHBondContact O-N 3.18Å
274	N	35.3	Very low	45.4	Very low	163 Å²	163	126.6 Å²	126.6	87%	0.872	72%	0.718	S	S	*	*			trans	-78.6	63.8	174.5	-142.3	25.6	0	0	0	109.7	K276	N274-K276 PolarHBondContact O-N 3.07Å; N274-K276 VanDerWaalsContact O-N 3.1Å
275	C	37.6	Very low	42.4	Very low	107 Å²	107	133.8 Å²	133.8	72%	0.723	74%	0.742	S	S	*	*			trans	-70.7	100.7	-179.3	-63.8	0	0	0	0	109.3	G273 S277	G273-C275 PolarHBondContact O-N 3.18Å; C275-S277 PolarHBondContact O-N 3.19Å
276	K	37.6	Very low	39.5	Very low	196 Å²	196	132.4 Å²	132.4	85%	0.852	74%	0.741	S	S	*	*	S	Bend	trans	-64.3	101.4	171.3	-73.8	-171.1	173.9	-175	0	109.6	N274	N274-K276 PolarHBondContact O-N 3.07Å; N274-K276 VanDerWaalsContact O-N 3.1Å
277	S	38.7	Very low	37	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	77%	0.767	S	S	*	*	S	Bend	trans	44.5	105.5	162.3	55.5	0	0	0	0	117.5	C275	C275-S277 PolarHBondContact O-N 3.19Å
278	G	34.5	Very low	34.5	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	78%	0.783	S	S	*	*			cis	165.4	105.4	-4.5	0	0	0	0	0	112.9
279	A	33	Very low	33	Very low	96 Å²	96	133.5 Å²	133.5	79%	0.793	78%	0.779	S	S	*	*			trans	-153.7	149.9	168.1	0	0	0	0	0	110	C281	A279-C281 PolarHBondContact O-N 3.4Å
280	S	30.7	Very low	31.5	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	79%	0.785	S	S	*	*			trans	-77.4	124	-177.8	-170.7	0	0	0	0	111.8	K282	S280-K282 PolarHBondContact O-N 3.36Å
281	C	25.7	Very low	30.6	Very low	128 Å²	128	136.7 Å²	136.7	87%	0.865	80%	0.795	S	S	*	*			trans	-68.2	93.1	-177.9	-62.1	0	0	0	0	112.9	A279	A279-C281 PolarHBondContact O-N 3.4Å
282	K	27.3	Very low	29.9	Very low	192 Å²	192	139.6 Å²	139.6	84%	0.835	80%	0.795	S	S	*	*			trans	-112.6	134.4	157.5	-75.1	-175	177.1	177	0	109.7	S280 R284	S280-K282 PolarHBondContact O-N 3.36Å; K282-R284 PolarHBondContact O-N 3.03Å
283	N	27.4	Very low	29.1	Very low	177 Å²	177	144.2 Å²	144.2	95%	0.947	81%	0.806	S	S	*	*			trans	-56.2	129.4	-176.3	-85.5	-17.3	0	0	0	113.2
284	R	23.6	Very low	28.4	Very low	245 Å²	245	151 Å²	151	93%	0.925	82%	0.824	S	S	*	*			trans	-145.4	129.9	154.3	-141.2	-172.6	173.4	171.1	-3.1	110.6	K282	K282-R284 PolarHBondContact O-N 3.03Å
285	K	24.8	Very low	27.8	Very low	189 Å²	189	152.7 Å²	152.7	82%	0.822	83%	0.827	S	S	*	*			trans	-64.8	157.5	155.1	-57.1	172.8	179.9	175.3	0	106.9
286	K	26.3	Very low	27.1	Very low	163 Å²	163	151.3 Å²	151.3	71%	0.709	83%	0.83	S	S	*	*			cis	-165.4	146.1	8.7	-135.5	172.7	164	-144.4	0	102.4
287	H	25.8	Very low	26.4	Very low	160 Å²	160	147.6 Å²	147.6	74%	0.741	83%	0.829	S	S	*	*				164.9	160.6	71.7	-118.9	-63.8	0	0	0	105.7
288	G	23.8	Very low	25.5	Very low	73 Å²	73	150.9 Å²	150.9	75%	0.753	83%	0.831	S	S	*	*			trans	166.4	135.1	168.5	0	0	0	0	0	110
289	A	29.5	Very low	25	Very low	91 Å²	91	154.4 Å²	154.4	75%	0.752	84%	0.837	S	S	*	*			trans	-140.9	130.2	176.5	0	0	0	0	0	108.3
290	P	24.8	Very low	24.5	Very low	108 Å²	108	159 Å²	159	70%	0.701	84%	0.842	S	S	*	*			trans	-73.4	143.4	138.3	-2.7	23.5	0	0	0	107.6
291	E	21.9	Very low	24	Very low	188 Å²	188	160.7 Å²	160.7	88%	0.879	84%	0.842	S	S	*	*				64.9	95.8	52	-62	179.3	175.4	0	0	110.3
292	E	23.8	Very low	23.9	Very low	194 Å²	194	162.8 Å²	162.8	91%	0.907	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-101.5	127.1	174.8	-64.3	178.9	154.7	0	0	107.4
293	E	22.5	Very low	23.6	Very low	198 Å²	198	162 Å²	162	93%	0.925	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-87.2	131.5	173	-68.8	-176.8	142.6	0	0	109.8
294	E	21.6	Very low	23.4	Very low	192 Å²	192	158.9 Å²	158.9	90%	0.897	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.1	144	175.5	-63.6	-176.2	136.4	0	0	111.6
295	H	23.9	Very low	23.2	Very low	199 Å²	199	152 Å²	152	92%	0.921	82%	0.823	S	S	*	*			trans	-136.4	113.6	161.1	-140.2	49.2	0	0	0	109
296	G	21.2	Very low	23.1	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	81%	0.811	S	S	*	*			trans	-90.6	176.8	-170.3	0	0	0	0	0	114.6
297	S	22.6	Very low	23	Very low	119 Å²	119	147.1 Å²	147.1	83%	0.832	82%	0.815	S	S	*	*			trans	-143.9	135.3	165.6	58.8	0	0	0	0	108.9
298	E	21	Very low	23.1	Very low	191 Å²	191	147.6 Å²	147.6	89%	0.893	82%	0.817	S	S	*	*			trans	-71.9	147.4	-168.6	-60	145.1	119.2	0	0	113.9
299	V	24.4	Very low	23.1	Very low	146 Å²	146	152.4 Å²	152.4	89%	0.885	82%	0.82	S	S	*	*			trans	-138.4	146.7	149.1	-174.4	0	0	0	0	107.2
300	E	22.1	Very low	22.7	Very low	192 Å²	192	156.2 Å²	156.2	90%	0.897	82%	0.823	S	S	*	*			trans	-75.7	158	-156.1	-62.2	170.4	116.3	0	0	116.6
301	L	20.6	Very low	22.6	Very low	152 Å²	152	156.5 Å²	156.5	80%	0.796	83%	0.827	S	S	*	*			trans	-83.9	142.1	172.1	-73.1	160	0	0	0	112
302	I	23.7	Very low	22.7	Very low	173 Å²	173	150.6 Å²	150.6	89%	0.887	82%	0.817	S	S	*	*			trans	-135.1	123.4	147.8	-62.8	-174.2	0	0	0	107.8
303	E	21.2	Very low	22.6	Very low	174 Å²	174	153.6 Å²	153.6	81%	0.813	82%	0.82	S	S	*	*			trans	-105.2	144.2	178	-68.9	-174.3	116.3	0	0	112.8
304	S	21.6	Very low	22.7	Very low	112 Å²	112	150.3 Å²	150.3	78%	0.783	82%	0.816	S	S	*	*			trans	-166.3	116.9	142.1	-158.7	0	0	0	0	105.6
305	S	20.5	Very low	22.9	Very low	101 Å²	101	147 Å²	147	71%	0.706	80%	0.804	S	S	*	*				63.6	122.7	50	-156.9	0	0	0	0	112
306	S	23.3	Very low	22.9	Very low	79 Å²	79	145.3 Å²	145.3	55%	0.552	80%	0.797	S	S	*	*			cis	-164.8	170.1	-10.2	50.1	0	0	0	0	110.5
307	E	23.8	Very low	23.1	Very low	171 Å²	171	149.7 Å²	149.7	80%	0.799	79%	0.794	S	S	*	*			trans	46.5	132.5	149	-67.6	142.5	-133.4	0	0	120.3
308	E	26.8	Very low	23.1	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	79%	0.785	S	S	*	*			cis	-145.7	-146.3	-0.8	-105.4	-72.4	55.5	0	0	107.7
309	E	24.3	Very low	23.3	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	78%	0.779	S	S	*	*			cis	-157.7	-145	10.5	-154.6	-168.6	120.7	0	0	110.6
310	E	21.4	Very low	23.5	Very low	171 Å²	171	149.6 Å²	149.6	80%	0.799	78%	0.78	S	S	*	*			trans	-92	137.7	-160.5	-162	-175.9	-127	0	0	116.4
311	S	22.6	Very low	23.6	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	77%	0.77	S	S	*	*				146.6	142	119.8	64.2	0	0	0	0	116.3
312	G	24.2	Very low	24.2	Very low	64 Å²	64	144.6 Å²	144.6	66%	0.66	77%	0.772	S	S	*	*			trans	100.8	80.2	156.2	0	0	0	0	0	119.6
313	W	22.1	Very low	24.5	Very low	256 Å²	256	141.5 Å²	141.5	97%	0.97	76%	0.761	S	S	*	*			trans	21.2	100.3	148.9	-65	76.1	0	0	0	118.7
314	P	24.7	Very low	25.3	Very low	130 Å²	130	138.9 Å²	138.9	84%	0.844	75%	0.753	S	S	*	*			trans	-84.4	140.3	-178.4	32.1	-34.5	0	0	0	115.5
315	D	24.6	Very low	26.5	Very low	121 Å²	121	138.8 Å²	138.8	65%	0.647	75%	0.747	S	S	*	*			trans	-70	112.1	170.9	176	45	0	0	0	111.6	K317	D315-K317 PolarHBondContact O-N 2.96Å; D315-K317 IonicContact OD2-NZ 3.78Å; D315-K317 PolarHBondContact OD2-NZ 3.29Å
316	E	24.1	Very low	27.6	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	75%	0.752	S	S	*	*			trans	-76.7	83.3	-173.3	-159.2	-167.6	165.5	0	0	113.3	T318	E316-T318 VanDerWaalsContact C-N 3.34Å; E316-T318 PolarHBondContact O-N 3.38Å; E316-T318 PolarHBondContact OE1-OG1 2.85Å
317	K	25.4	Very low	28.3	Very low	168 Å²	168	142.3 Å²	142.3	73%	0.73	75%	0.747	S	S	*	*			trans	-77.2	76.4	166.8	-67.4	-175.4	-178.9	70.6	0	111.6	D315 S319	D315-K317 PolarHBondContact O-N 2.96Å; D315-K317 IonicContact OD2-NZ 3.78Å; D315-K317 PolarHBondContact OD2-NZ 3.29Å; K317-S319 PolarHBondContact O-N 3.43Å
318	T	23.8	Very low	29.3	Very low	107 Å²	107	138.7 Å²	138.7	66%	0.656	73%	0.732	S	S	*	*			trans	-65.1	109	167.9	-26.9	0	0	0	0	109.6	E316 R320	E316-T318 VanDerWaalsContact C-N 3.34Å; E316-T318 PolarHBondContact O-N 3.38Å; E316-T318 PolarHBondContact OE1-OG1 2.85Å; T318-R320 PolarHBondContact O-N 3.43Å
319	S	24.9	Very low	29.8	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	72%	0.715	S	S	*	*			trans	-65.7	116.8	176.5	51.9	0	0	0	0	109.6	K317 S321	K317-S319 PolarHBondContact O-N 3.43Å; S319-S321 PolarHBondContact O-N 3.36Å
320	R	27.8	Very low	30.4	Very low	241 Å²	241	129.5 Å²	129.5	91%	0.909	70%	0.704	S	S	*	*			trans	-81.3	71.9	-170.1	-148	179	110.2	132.8	5.8	111.9	T318	T318-R320 PolarHBondContact O-N 3.43Å
321	S	25.1	Very low	31.2	Very low	99 Å²	99	125 Å²	125	69%	0.692	69%	0.685	S	S	*	*			trans	-50.6	138.1	174.8	-170.6	0	0	0	0	111.2	S319 V323	S319-S321 PolarHBondContact O-N 3.36Å; S321-V323 PolarHBondContact O-N 3.06Å
322	V	32.5	Very low	31.8	Very low	140 Å²	140	124.8 Å²	124.8	85%	0.848	67%	0.672	S	S	*	*			trans	-86.8	100.8	177.2	-179.2	0	0	0	0	107.3
323	V	31.1	Very low	32.3	Very low	107 Å²	107	126.7 Å²	126.7	65%	0.648	67%	0.667	S	S	*	*			trans	-70.5	131.1	175.9	-177.3	0	0	0	0	109.4	S321	S321-V323 PolarHBondContact O-N 3.06Å
324	D	36.4	Very low	33	Very low	119 Å²	119	117.6 Å²	117.6	64%	0.636	64%	0.643	S	S	*	*			trans	-76.4	166.9	-174.8	-147	-25.3	0	0	0	112.8	E326	D324-E326 VanDerWaalsContact C-N 3.28Å; D324-E326 PolarHBondContact O-N 3.13Å
325	V	46.8	Very low	33.6	Very low	110 Å²	110	115.2 Å²	115.2	67%	0.667	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-73.1	-19	-172.4	-178.5	0	0	0	0	112.5	D327 L328	V325-D327 VanDerWaalsContact C-N 3.34Å; V325-D327 PolarHBondContact O-N 2.77Å; V325-L328 HydrophobicContact CG1-CD1 4.25Å
326	E	43.5	Very low	34.1	Very low	172 Å²	172	116.4 Å²	116.4	80%	0.804	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-67.6	-28.8	-174.2	-53.8	-156.7	139.5	0	0	113.8	D324 L328 G329	D324-E326 VanDerWaalsContact C-N 3.28Å; D324-E326 PolarHBondContact O-N 3.13Å; E326-L328 PolarHBondContact O-N 3.01Å; E326-L328 VanDerWaalsContact O-N 3.08Å; E326-G329 PolarHBondContact O-N 3.28Å
327	D	38	Very low	34.8	Very low	83 Å²	83	116.8 Å²	116.8	44%	0.444	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-64.7	-15.9	-177	-99.8	-36.4	0	0	0	114.9	V325 G329 N330 I331	V325-D327 VanDerWaalsContact C-N 3.34Å; V325-D327 PolarHBondContact O-N 2.77Å; D327-G329 PolarHBondContact O-N 2.92Å; D327-G329 VanDerWaalsContact O-N 3.16Å; D327-N330 PolarHBondContact O-N 3.41Å; D327-I331 PolarHBondContact O-N 3.08Å
328	L	45.4	Very low	35.2	Very low	95 Å²	95	112.3 Å²	112.3	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-60.3	-26.1	179.8	-76.5	165.9	0	0	0	113.3	V325 E326 N330 M332	V325-L328 HydrophobicContact CG1-CD1 4.25Å; E326-L328 PolarHBondContact O-N 3.01Å; E326-L328 VanDerWaalsContact O-N 3.08Å; L328-N330 VanDerWaalsContact C-N 3.35Å; L328-M332 PolarHBondContact O-N 3.41Å
329	G	37.1	Very low	35.8	Very low	42 Å²	42	116.1 Å²	116.1	43%	0.433	63%	0.626	S	S	.	*	H	α-helix	trans	-64	-37.3	174.3	0	0	0	0	0	113.3	E326 D327 N333	E326-G329 PolarHBondContact O-N 3.28Å; D327-G329 PolarHBondContact O-N 2.92Å; D327-G329 VanDerWaalsContact O-N 3.16Å; G329-N333 PolarHBondContact O-ND2 3.07Å; G329-N333 VanDerWaalsContact O-ND2 3.15Å
330	N	37.4	Very low	36.2	Very low	109 Å²	109	114 Å²	114	58%	0.583	62%	0.621	S	S	*	*	H	α-helix	trans	-76.8	-40.5	-178.3	-71.4	-34.8	0	0	0	111.8	D327 L328 M332 N333 S334	D327-N330 PolarHBondContact O-N 3.41Å; L328-N330 VanDerWaalsContact C-N 3.35Å; N330-M332 PolarHBondContact O-N 3.45Å; N330-N333 WeakPolarHBondContact O-CB 3.38Å; N330-N333 PolarHBondContact O-N 3.31Å; N330-N333 VanDerWaalsContact O-N 3.1Å; N330-S334 PolarHBondContact O-N 3.45Å; N330-S334 VanDerWaalsContact O-N 3.11Å
331	I	37	Very low	36.6	Very low	76 Å²	76	108.4 Å²	108.4	39%	0.39	61%	0.613	S	S	.	*	H	α-helix	trans	-61.8	-40.9	179.1	-61	170.3	0	0	0	111.3	D327 N333 S334 V335	D327-I331 PolarHBondContact O-N 3.08Å; I331-N333 PolarHBondContact O-N 3.39Å; I331-S334 PolarHBondContact O-N 3.01Å; I331-S334 PolarHBondContact O-OG 3.24Å; I331-V335 HydrophobicContact CG2-CG2 4.43Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.41Å; I331-V335 VanDerWaalsContact O-N 3.08Å
332	M	35.3	Very low	36.8	Very low	110 Å²	110	114 Å²	114	54%	0.542	63%	0.625	S	S	.	*	H	α-helix	trans	-67.6	-23	178.5	-168	171.2	55.7	0	0	113	L328 N330 K336	L328-M332 PolarHBondContact O-N 3.41Å; N330-M332 PolarHBondContact O-N 3.45Å; M332-K336 WeakPolarHBondContact O-CG 3.39Å; M332-K336 PolarHBondContact O-N 3.01Å
333	N	35.7	Very low	36.5	Very low	103 Å²	103	111.1 Å²	111.1	55%	0.551	62%	0.624	S	S	*	*	H	α-helix	trans	-80	-36.2	173.5	-76	-44.3	0	0	0	112.7	G329 N330 I331 K337	G329-N333 PolarHBondContact O-ND2 3.07Å; G329-N333 VanDerWaalsContact O-ND2 3.15Å; N330-N333 WeakPolarHBondContact O-CB 3.38Å; N330-N333 PolarHBondContact O-N 3.31Å; N330-N333 VanDerWaalsContact O-N 3.1Å; I331-N333 PolarHBondContact O-N 3.39Å; N333-K337 PolarHBondContact O-N 3.12Å
334	S	35.9	Very low	36.2	Very low	66 Å²	66	115.6 Å²	115.6	46%	0.462	64%	0.638	S	S	.	*	H	α-helix	trans	-68.8	-41.3	175.5	69	0	0	0	0	112.1	N330 I331 K336 K337 A338	N330-S334 PolarHBondContact O-N 3.45Å; N330-S334 VanDerWaalsContact O-N 3.11Å; I331-S334 PolarHBondContact O-N 3.01Å; I331-S334 PolarHBondContact O-OG 3.24Å; S334-K336 VanDerWaalsContact C-N 3.33Å; S334-K336 PolarHBondContact O-N 3.19Å; S334-K337 WeakPolarHBondContact O-CA 3.43Å; S334-K337 WeakPolarHBondContact O-CB 3.41Å; S334-K337 PolarHBondContact O-N 3.44Å; S334-A338 PolarHBondContact O-N 3.33Å
335	V	38.7	Very low	35.8	Very low	79 Å²	79	119.5 Å²	119.5	48%	0.479	65%	0.653	S	S	.	*	H	α-helix	trans	-62.4	-37.6	176	174.1	0	0	0	0	112.2	I331 K337 A338 K339	I331-V335 HydrophobicContact CG2-CG2 4.43Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.41Å; I331-V335 VanDerWaalsContact O-N 3.08Å; V335-K337 VanDerWaalsContact C-N 3.26Å; V335-K337 PolarHBondContact O-N 3.45Å; V335-A338 PolarHBondContact O-N 2.8Å; V335-K339 PolarHBondContact O-N 2.85Å; V335-K339 VanDerWaalsContact O-N 3.15Å
336	K	35.4	Very low	34.9	Very low	146 Å²	146	118.4 Å²	118.4	64%	0.635	66%	0.663	S	S	*	*	H	α-helix	trans	-67	-23.8	171.8	-79.7	174.2	-179.8	165.8	0	113.4	M332 S334	M332-K336 WeakPolarHBondContact O-CG 3.39Å; M332-K336 PolarHBondContact O-N 3.01Å; S334-K336 VanDerWaalsContact C-N 3.33Å; S334-K336 PolarHBondContact O-N 3.19Å
337	K	36.8	Very low	33.9	Very low	173 Å²	173	114 Å²	114	75%	0.752	67%	0.665	S	S	*	*	H	α-helix	trans	-78.2	-42.9	173.8	-140.5	176.9	-179.2	-173.9	0	110.5	N333 S334 V335 G340	N333-K337 PolarHBondContact O-N 3.12Å; S334-K337 WeakPolarHBondContact O-CA 3.43Å; S334-K337 WeakPolarHBondContact O-CB 3.41Å; S334-K337 PolarHBondContact O-N 3.44Å; V335-K337 VanDerWaalsContact C-N 3.26Å; V335-K337 PolarHBondContact O-N 3.45Å; K337-G340 PolarHBondContact O-N 3.2Å
338	A	35.3	Very low	33.4	Very low	74 Å²	74	119 Å²	119	61%	0.612	69%	0.686	S	S	*	*	H	α-helix	trans	-67.9	-39.6	-178	0	0	0	0	0	114.1	S334 V335 G340	S334-A338 PolarHBondContact O-N 3.33Å; V335-A338 PolarHBondContact O-N 2.8Å; A338-G340 PolarHBondContact O-N 3.12Å
339	K	35.7	Very low	32.4	Very low	188 Å²	188	123.5 Å²	123.5	82%	0.817	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	2.5	177.9	-77.8	-163.8	172.5	-169.6	0	115	V335	V335-K339 PolarHBondContact O-N 2.85Å; V335-K339 VanDerWaalsContact O-N 3.15Å
340	G	33.7	Very low	31.8	Very low	63 Å²	63	127 Å²	127	65%	0.649	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-8.7	175.7	0	0	0	0	0	115.4	K337 A338	K337-G340 PolarHBondContact O-N 3.2Å; A338-G340 PolarHBondContact O-N 3.12Å
341	V	36.6	Very low	31.3	Very low	122 Å²	122	131.6 Å²	131.6	74%	0.739	73%	0.734	S	S	*	*			trans	-137.4	83.9	-170.2	-169.8	0	0	0	0	112.9
342	K	27.6	Very low	30.8	Very low	216 Å²	216	136.1 Å²	136.1	94%	0.939	76%	0.758	S	S	*	*			trans	-167.5	134.6	141.8	-105.3	163.6	-174.2	-178.2	0	107.9
343	G	26.9	Very low	30.4	Very low	81 Å²	81	136 Å²	136	84%	0.835	77%	0.768	S	S	*	*			trans	-98.7	165.7	-158.6	0	0	0	0	0	115.7
344	E	25.8	Very low	30.1	Very low	201 Å²	201	140.7 Å²	140.7	94%	0.939	78%	0.783	S	S	*	*			trans	-80.1	130.5	169.9	-63.3	173.3	124.5	0	0	111
345	Q	27.8	Very low	29.7	Very low	200 Å²	200	145.8 Å²	145.8	94%	0.935	80%	0.799	S	S	*	*			trans	-121.8	145	145	-65.8	179.4	-5	0	0	105.2
346	G	26.5	Very low	29.2	Very low	87 Å²	87	149.8 Å²	149.8	90%	0.897	82%	0.818	S	S	*	*			cis	152.9	57.7	6.9	0	0	0	0	0	109.3
347	G	24.3	Very low	29.4	Very low	81 Å²	81	146.5 Å²	146.5	84%	0.835	83%	0.826	S	S	*	*			trans	-128.6	128.3	-168.9	0	0	0	0	0	112.8
348	Q	27.2	Very low	28.9	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	83%	0.826	S	S	*	*			trans	-94.8	132.7	-174.3	179.5	-175.5	36.3	0	0	111.2
349	M	23.1	Very low	28.7	Very low	188 Å²	188	150 Å²	150	93%	0.926	84%	0.843	S	S	*	*			trans	-141.9	151.6	161.9	-107.2	-178	73.5	0	0	112.8
350	V	25.6	Very low	28.4	Very low	115 Å²	115	149.7 Å²	149.7	70%	0.697	84%	0.842	S	S	*	*			trans	-97.4	141.8	-163.5	174.7	0	0	0	0	111.4	L352	V350-L352 PolarHBondContact O-N 2.86Å
351	K	27.3	Very low	28.4	Very low	206 Å²	206	152.3 Å²	152.3	90%	0.896	85%	0.845	S	S	*	*			trans	-67.6	114.4	166	-83	-170.6	172	-173.3	0	110.3
352	L	25.3	Very low	28.3	Very low	171 Å²	171	154.9 Å²	154.9	90%	0.895	85%	0.849	S	S	*	*			trans	-118.2	146	158	-133.6	75.6	0	0	0	109.4	V350	V350-L352 PolarHBondContact O-N 2.86Å
353	S	28	Very low	29.1	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	84%	0.836	S	S	*	*			trans	-119.5	135.8	-175.1	51.2	0	0	0	0	111.5
354	K	28.6	Very low	29.9	Very low	202 Å²	202	152.1 Å²	152.1	88%	0.878	82%	0.822	S	S	*	*				178.8	167.7	129.9	-102.2	171.5	179.9	-176.8	0	112.7
355	H	28.6	Very low	30.8	Very low	172 Å²	172	151.9 Å²	151.9	80%	0.796	82%	0.821	S	S	*	*			trans	-49.8	142	172.5	-53.8	-73.1	0	0	0	113.4
356	N	28.2	Very low	32.5	Very low	163 Å²	163	151.3 Å²	151.3	87%	0.872	82%	0.818	S	S	*	*				-155.4	155.6	93.1	-95.8	-13.5	0	0	0	111.1
357	G	38.5	Very low	35	Very low	78 Å²	78	153.1 Å²	153.1	80%	0.804	80%	0.798	S	S	*	*			trans	-83.7	124.6	-168.7	0	0	0	0	0	113.8
358	V	26.7	Very low	38.1	Very low	123 Å²	123	156.4 Å²	156.4	75%	0.745	79%	0.785	S	S	*	*			trans	-136	120.5	150.1	179.2	0	0	0	0	106	K360	V358-K360 HydrophobicContact CG1-CG 4.41Å; V358-K360 PolarHBondContact O-N 3.08Å; V358-K360 VanDerWaalsContact O-N 3.12Å
359	M	30.9	Very low	41.3	Very low	197 Å²	197	151.6 Å²	151.6	97%	0.97	76%	0.762	S	S	*	*			trans	-70.9	105.7	169	-76.1	176.4	65.6	0	0	108.5
360	K	28.6	Very low	44.7	Very low	182 Å²	182	142.7 Å²	142.7	79%	0.791	72%	0.719	S	S	*	*			trans	-99.3	146.8	158.6	-77.7	-169.8	171.4	-172.9	0	108.7	V358 E362	V358-K360 HydrophobicContact CG1-CG 4.41Å; V358-K360 PolarHBondContact O-N 3.08Å; V358-K360 VanDerWaalsContact O-N 3.12Å; K360-E362 PolarHBondContact O-N 3.16Å
361	T	34.8	Very low	47.8	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	69%	0.686	S	S	*	*			trans	-72.2	108.8	178.8	44.8	0	0	0	0	110.6
362	E	33.5	Very low	50.8	Low	176 Å²	176	131 Å²	131	82%	0.822	66%	0.664	S	S	*	*			trans	-83.4	-14.8	176.8	-62.6	-175.5	143.2	0	0	112.5	K360 E364	K360-E362 PolarHBondContact O-N 3.16Å; E362-E364 VanDerWaalsContact C-N 3.34Å; E362-E364 PolarHBondContact O-N 3.23Å
363	D	45.3	Very low	53.9	Low	125 Å²	125	128.1 Å²	128.1	67%	0.668	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-11.1	-173	-63.4	-61.1	0	0	0	116.5
364	E	42.8	Very low	56.7	Low	114 Å²	114	126.2 Å²	126.2	53%	0.533	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-31.6	-175.8	-83.4	-80.1	107	0	0	113.2	E362 R367	E362-E364 VanDerWaalsContact C-N 3.34Å; E362-E364 PolarHBondContact O-N 3.23Å; E364-R367 IonicContact OE1-NH1 3.2Å
365	E	44.4	Very low	59.4	Low	197 Å²	197	117.2 Å²	117.2	92%	0.921	61%	0.608	S	S	*	*	S	Bend	trans	-83.2	-20.6	-174	-70.3	-161.9	121.8	0	0	114.5
366	E	63.6	Low	62.4	Low	188 Å²	188	112.9 Å²	112.9	88%	0.879	59%	0.585	S	S	*	*	S	Bend	trans	-79.6	-13.4	177.6	-79.1	-150.7	138	0	0	114.3	R368	E366-R368 PolarHBondContact O-N 3.38Å
367	R	79.6	Confident	65.2	Low	124 Å²	124	109.4 Å²	109.4	47%	0.468	56%	0.564	S	S	.	*			trans	-74	114.8	-175.2	-67.6	-177.7	179.3	178.5	-1.9	111.7	E364	E364-R367 IonicContact OE1-NH1 3.2Å
368	R	90.3	Very high	67.5	Low	150 Å²	150	107.3 Å²	107.3	57%	0.566	54%	0.538	S	S	*	.			trans	-58.8	145.7	176.2	66.4	-177.9	179.3	178.1	-1.4	112.9	E366 W452 K453	E366-R368 PolarHBondContact O-N 3.38Å; R368-W452 WeakPolarHBondContact O-CA 3.22Å; R368-K453 PolarHBondContact O-N 2.92Å
369	E	93.7	Very high	70.4	Confident	87 Å²	87	101.5 Å²	101.5	41%	0.407	50%	0.503	S	S	.	.			trans	-63	152.3	167.2	-59.9	-162.6	176.1	0	0	111.5	R376	E369-R376 IonicContact OE2-NH2 3.12Å; E369-R376 PolarHBondContact OE2-NH2 3.45Å
370	M	93.4	Very high	73.2	Confident	2 Å²	2	95.7 Å²	95.7	1%	0.01	48%	0.479	C	S	.	.	S	Bend	trans	-79	-35	171.7	-177	-172.4	-65.1	0	0	111	T372 S389 H390 L429 A430 P445 W450 W452	M370-T372 PolarHBondContact O-N 3.5Å; M370-S389 CarbonylContact C-O 3.28Å; M370-S389 WeakPolarHBondContact CA-O 3.33Å; M370-S389 WeakPolarHBondContact CB-O 3.28Å; M370-S389 PolarHBondContact N-O 2.77Å; M370-H390 HydrophobicContact CB-CB 3.64Å; M370-H390 HydrophobicContact CE-CB 3.84Å; M370-H390 HydrophobicContact CG-CB 4.25Å; M370-H390 HydrophobicContact SD-CB 3.72Å; M370-L429 HydrophobicContact CG-CB 4.45Å; M370-L429 HydrophobicContact SD-CB 3.69Å; M370-L429 PolarHBondContact SD-N 2.94Å; M370-L429 VanDerWaalsContact SD-N 3.42Å; M370-A430 HydrophobicContact CE-CB 3.6Å; M370-A430 HydrophobicContact CG-CB 4.42Å; M370-A430 HydrophobicContact SD-CB 3.67Å; M370-A430 PolarHBondContact SD-N 2.95Å; M370-A430 VanDerWaalsContact SD-N 3.37Å; M370-P445 HydrophobicContact CG-CB 3.95Å; M370-P445 HydrophobicContact CG-CG 3.74Å; M370-P445 WeakPolarHBondContact O-CG 3.43Å; M370-W450 HydrophobicContact CE-CE3 4.33Å; M370-W450 HydrophobicContact CE-CH2 3.56Å; M370-W450 HydrophobicContact CE-CZ2 4.21Å; M370-W450 HydrophobicContact CE-CZ3 3.63Å; M370-W452 HydrophobicContact CB-CB 4.14Å; M370-W452 HydrophobicContact CB-CD2 4.23Å; M370-W452 HydrophobicContact CB-CG 3.74Å; M370-W452 HydrophobicContact CE-CD2 3.7Å; M370-W452 HydrophobicContact CE-CE3 3.5Å; M370-W452 HydrophobicContact CE-CG 4.16Å; M370-W452 HydrophobicContact CE-CZ3 3.97Å; M370-W452 HydrophobicContact CG-CD2 4.29Å; M370-W452 HydrophobicContact CG-CG 4.31Å
371	I	92	Very high	76	Confident	1 Å²	1	94.2 Å²	94.2	1%	0.005	47%	0.473	C	S	.	.	S	Bend	trans	-87.4	91.8	177.5	-58.9	168.8	0	0	0	110	R376 L386 S389 L429	I371-R376 HydrophobicContact CG2-CB 3.71Å; I371-R376 HydrophobicContact CG2-CG 3.89Å; I371-L386 HydrophobicContact CD1-CB 4.24Å; I371-L386 HydrophobicContact CD1-CD2 4.26Å; I371-L386 HydrophobicContact CG2-CD1 4.09Å; I371-S389 WeakPolarHBondContact CG1-O 3.3Å; I371-S389 PolarHBondContact N-O 3.39Å; I371-L429 HydrophobicContact CD1-CD1 3.71Å; I371-L429 HydrophobicContact CG1-CD1 3.53Å
372	T	90.7	Very high	78.3	Confident	73 Å²	73	92.2 Å²	92.2	45%	0.448	46%	0.455	S	S	.	.			trans	-65.3	156.4	171.7	73.7	0	0	0	0	111.3	M370 A374 L375 R376	M370-T372 PolarHBondContact O-N 3.5Å; T372-A374 VanDerWaalsContact C-N 3.32Å; T372-A374 PolarHBondContact O-N 3.26Å; T372-L375 PolarHBondContact O-N 3.19Å; T372-L375 VanDerWaalsContact O-N 3.12Å; T372-L375 WeakPolarHBondContact OG1-CB 3.43Å; T372-L375 PolarHBondContact OG1-N 3.46Å; T372-R376 WeakPolarHBondContact O-CB 3.46Å; T372-R376 PolarHBondContact O-N 3.33Å
373	P	89.9	Confident	80.8	Confident	112 Å²	112	85.5 Å²	85.5	73%	0.727	43%	0.433	S	S	*	.	H	α-helix	trans	-57.2	-38.9	-179.8	-28.5	36.3	0	0	0	114.6	R376 E377	P373-R376 WeakPolarHBondContact O-CB 3.3Å; P373-R376 PolarHBondContact O-N 2.79Å; P373-E377 PolarHBondContact O-N 3.26Å; P373-E377 VanDerWaalsContact O-N 3.09Å
374	A	86.6	Confident	83	Confident	67 Å²	67	79.7 Å²	79.7	55%	0.554	40%	0.401	S	S	*	.	H	α-helix	trans	-67.6	-41	176.5	0	0	0	0	0	112	T372 R376 E377 A378	T372-A374 VanDerWaalsContact C-N 3.32Å; T372-A374 PolarHBondContact O-N 3.26Å; A374-R376 VanDerWaalsContact C-N 3.33Å; A374-E377 PolarHBondContact O-N 2.87Å; A374-A378 PolarHBondContact O-N 2.96Å
375	L	86.1	Confident	85.6	Confident	14 Å²	14	78 Å²	78	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-39	173.3	-176.2	62.8	0	0	0	111	T372 E377 A378 L379 T443 P445	T372-L375 PolarHBondContact O-N 3.19Å; T372-L375 VanDerWaalsContact O-N 3.12Å; T372-L375 WeakPolarHBondContact OG1-CB 3.43Å; T372-L375 PolarHBondContact OG1-N 3.46Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.09Å; L375-A378 PolarHBondContact O-N 3.47Å; L375-L379 HydrophobicContact CD1-CD1 3.78Å; L375-L379 HydrophobicContact CD1-CD2 4.2Å; L375-L379 HydrophobicContact CD1-CG 3.73Å; L375-L379 HydrophobicContact CD2-CD1 4.25Å; L375-L379 HydrophobicContact CG-CD1 3.63Å; L375-L379 HydrophobicContact CG-CG 4.01Å; L375-L379 VanDerWaalsContact O-CB 3.28Å; L375-L379 WeakPolarHBondContact O-CB 3.48Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 3.22Å; L375-T443 WeakPolarHBondContact CD1-O 3.41Å; L375-P445 HydrophobicContact CD2-CG 3.77Å
376	R	90.2	Very high	88	Confident	80 Å²	80	69.7 Å²	69.7	30%	0.302	35%	0.354	S	S	.	.	H	α-helix	trans	-57.3	-46.1	176.5	-157.8	171.5	-75.7	-88	7	111.1	E369 I371 T372 P373 A374 T380 L386 G388	E369-R376 IonicContact OE2-NH2 3.12Å; E369-R376 PolarHBondContact OE2-NH2 3.45Å; I371-R376 HydrophobicContact CG2-CB 3.71Å; I371-R376 HydrophobicContact CG2-CG 3.89Å; T372-R376 WeakPolarHBondContact O-CB 3.46Å; T372-R376 PolarHBondContact O-N 3.33Å; P373-R376 WeakPolarHBondContact O-CB 3.3Å; P373-R376 PolarHBondContact O-N 2.79Å; A374-R376 VanDerWaalsContact C-N 3.33Å; R376-T380 VanDerWaalsContact O-CB 3.27Å; R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.12Å; R376-T380 VanDerWaalsContact O-N 3.11Å; R376-T380 PolarHBondContact O-OG1 3.45Å; R376-L386 HydrophobicContact CB-CD1 4.18Å; R376-L386 HydrophobicContact CG-CD1 3.63Å; R376-G388 PolarHBondContact NH1-O 2.92Å; R376-G388 PolarHBondContact NH2-O 2.74Å
377	E	88.5	Confident	89.6	Confident	91 Å²	91	60.8 Å²	60.8	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-52.5	176.6	-165.7	-165.8	135.8	0	0	112.2	P373 A374 L375 L379 T380 K381	P373-E377 PolarHBondContact O-N 3.26Å; P373-E377 VanDerWaalsContact O-N 3.09Å; A374-E377 PolarHBondContact O-N 2.87Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3.09Å; E377-L379 PolarHBondContact O-N 2.91Å; E377-T380 PolarHBondContact O-N 2.87Å; E377-K381 HydrophobicContact CG-CD 4.42Å; E377-K381 PolarHBondContact O-N 2.96Å; E377-K381 WeakPolarHBondContact OE1-CE 3.28Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 3.37Å
378	A	86.4	Confident	90.3	Very high	33 Å²	33	56 Å²	56	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-44.9	-177.6	0	0	0	0	0	112.7	A374 L375 K381 Q382	A374-A378 PolarHBondContact O-N 2.96Å; L375-A378 PolarHBondContact O-N 3.47Å; A378-K381 PolarHBondContact O-N 2.75Å; A378-Q382 WeakPolarHBondContact O-CG 3.4Å; A378-Q382 PolarHBondContact O-N 3.24Å; A378-Q382 VanDerWaalsContact O-N 3.11Å
379	L	87.8	Confident	90.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-38.8	176.9	-67.2	-179.1	0	0	0	111.9	L375 E377 Q382 G383 Y384 L386 L429	L375-L379 HydrophobicContact CD1-CD1 3.78Å; L375-L379 HydrophobicContact CD1-CD2 4.2Å; L375-L379 HydrophobicContact CD1-CG 3.73Å; L375-L379 HydrophobicContact CD2-CD1 4.25Å; L375-L379 HydrophobicContact CG-CD1 3.63Å; L375-L379 HydrophobicContact CG-CG 4.01Å; L375-L379 VanDerWaalsContact O-CB 3.28Å; L375-L379 WeakPolarHBondContact O-CB 3.48Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 3.22Å; E377-L379 PolarHBondContact O-N 2.91Å; L379-Q382 CarbonylContact O-C 3.57Å; L379-Q382 WeakPolarHBondContact O-CA 3.27Å; L379-Q382 PolarHBondContact O-N 2.91Å; L379-Q382 VanDerWaalsContact O-N 3.14Å; L379-G383 PolarHBondContact O-N 3.28Å; L379-Y384 HydrophobicContact CB-CG 4.44Å; L379-Y384 WeakPolarHBondContact O-CB 3.4Å; L379-Y384 PolarHBondContact O-N 3.38Å; L379-L386 HydrophobicContact CB-CD1 4Å; L379-L386 HydrophobicContact CB-CD2 4.08Å; L379-L386 HydrophobicContact CB-CG 4.43Å; L379-L386 HydrophobicContact CD1-CD1 4.38Å; L379-L386 HydrophobicContact CD1-CD2 3.71Å; L379-L429 HydrophobicContact CD1-CD1 4.06Å; L379-L429 HydrophobicContact CD1-CD2 3.86Å
380	T	89.4	Confident	90.6	Very high	76 Å²	76	44.8 Å²	44.8	47%	0.466	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-42.8	176.4	-58.7	0	0	0	0	111.1	R376 E377 Q382 G383	R376-T380 VanDerWaalsContact O-CB 3.27Å; R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.12Å; R376-T380 VanDerWaalsContact O-N 3.11Å; R376-T380 PolarHBondContact O-OG1 3.45Å; E377-T380 PolarHBondContact O-N 2.87Å; T380-Q382 PolarHBondContact O-N 2.82Å; T380-G383 WeakPolarHBondContact O-CA 3.43Å; T380-G383 PolarHBondContact O-N 3.03Å
381	K	87.8	Confident	90.8	Very high	151 Å²	151	44.7 Å²	44.7	66%	0.657	26%	0.256	S	S	*	.	H	α-helix	trans	-58	-35.2	171.6	-75.9	171.7	167.6	173.3	0	112.3	E377 A378 G383	E377-K381 HydrophobicContact CG-CD 4.42Å; E377-K381 PolarHBondContact O-N 2.96Å; E377-K381 WeakPolarHBondContact OE1-CE 3.28Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 3.37Å; A378-K381 PolarHBondContact O-N 2.75Å; K381-G383 PolarHBondContact O-N 3Å
382	Q	82.1	Confident	91	Very high	75 Å²	75	44.7 Å²	44.7	35%	0.35	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	9.8	173.1	-64.7	178.2	11.1	0	0	114.5	A378 L379 T380 Y384 K394 W439	A378-Q382 WeakPolarHBondContact O-CG 3.4Å; A378-Q382 PolarHBondContact O-N 3.24Å; A378-Q382 VanDerWaalsContact O-N 3.11Å; L379-Q382 CarbonylContact O-C 3.57Å; L379-Q382 WeakPolarHBondContact O-CA 3.27Å; L379-Q382 PolarHBondContact O-N 2.91Å; L379-Q382 VanDerWaalsContact O-N 3.14Å; T380-Q382 PolarHBondContact O-N 2.82Å; Q382-Y384 HydrophobicContact CB-CD2 4.45Å; Q382-K394 PolarHBondContact O-NZ 2.81Å; Q382-W439 VanDerWaalsContact OE1-CZ3 3.3Å
383	G	86.3	Confident	91.3	Very high	34 Å²	34	41.2 Å²	41.2	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	19.6	174.6	0	0	0	0	0	115.5	L379 T380 K381	L379-G383 PolarHBondContact O-N 3.28Å; T380-G383 WeakPolarHBondContact O-CA 3.43Å; T380-G383 PolarHBondContact O-N 3.03Å; K381-G383 PolarHBondContact O-N 3Å
384	Y	92.2	Very high	91.6	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.012	21%	0.211	C	C	.	.			trans	-78.1	146	172.9	-81.3	-123.5	0	0	0	111	L379 Q382 L386 K394 W439 R440 L499 V500	L379-Y384 HydrophobicContact CB-CG 4.44Å; L379-Y384 WeakPolarHBondContact O-CB 3.4Å; L379-Y384 PolarHBondContact O-N 3.38Å; Q382-Y384 HydrophobicContact CB-CD2 4.45Å; Y384-L386 HydrophobicContact CD1-CD2 4.38Å; Y384-K394 HydrophobicContact CD2-CB 4.45Å; Y384-K394 HydrophobicContact CD2-CD 3.56Å; Y384-K394 HydrophobicContact CE2-CB 4.37Å; Y384-K394 HydrophobicContact CE2-CD 3.27Å; Y384-K394 HydrophobicContact CE2-CG 4.41Å; Y384-K394 HydrophobicContact CG-CD 4.47Å; Y384-W439 HydrophobicContact CE2-CH2 4.19Å; Y384-W439 HydrophobicContact CE2-CZ2 4.35Å; Y384-R440 VanDerWaalsContact CD2-NH2 3.33Å; Y384-R440 VanDerWaalsContact OH-CZ 3.25Å; Y384-R440 PolarHBondContact OH-NH1 2.93Å; Y384-L499 HydrophobicContact CD1-CD2 3.99Å; Y384-L499 HydrophobicContact CE1-CD1 4.09Å; Y384-L499 HydrophobicContact CE1-CD2 3.39Å; Y384-L499 HydrophobicContact CE1-CG 3.61Å; Y384-L499 VanDerWaalsContact OH-CD1 3.28Å; Y384-L499 WeakPolarHBondContact OH-CD1 3.44Å; Y384-L499 WeakPolarHBondContact OH-CG 3.39Å; Y384-L499 PolarHBondContact OH-O 2.98Å; Y384-V500 HydrophobicContact CE1-CG1 3.8Å
385	K	96.4	Very high	91.8	Very high	78 Å²	78	35.9 Å²	35.9	34%	0.339	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	100.4	164.8	-53.7	-57.6	178.2	-175.2	0	107.1	G392 V393 K467 M471	K385-G392 WeakPolarHBondContact O-CA 3.41Å; K385-V393 HydrophobicContact CB-CG1 3.86Å; K385-V393 PolarHBondContact N-O 2.78Å; K385-V393 PolarHBondContact O-N 3.21Å; K385-K467 HydrophobicContact CB-CB 3.89Å; K385-K467 HydrophobicContact CB-CD 4.2Å; K385-K467 HydrophobicContact CB-CG 4.41Å; K385-K467 HydrophobicContact CG-CB 4.38Å; K385-M471 HydrophobicContact CD-SD 4.36Å; K385-M471 HydrophobicContact CG-CE 3.9Å; K385-M471 HydrophobicContact CG-CG 4.06Å; K385-M471 HydrophobicContact CG-SD 3.54Å; K385-M471 VanDerWaalsContact CG-SD 3.54Å
386	L	95.8	Very high	91.9	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	147.8	-173.8	-62.5	170.5	0	0	0	111	I371 R376 L379 Y384 L429	I371-L386 HydrophobicContact CD1-CB 4.24Å; I371-L386 HydrophobicContact CD1-CD2 4.26Å; I371-L386 HydrophobicContact CG2-CD1 4.09Å; R376-L386 HydrophobicContact CB-CD1 4.18Å; R376-L386 HydrophobicContact CG-CD1 3.63Å; L379-L386 HydrophobicContact CB-CD1 4Å; L379-L386 HydrophobicContact CB-CD2 4.08Å; L379-L386 HydrophobicContact CB-CG 4.43Å; L379-L386 HydrophobicContact CD1-CD1 4.38Å; L379-L386 HydrophobicContact CD1-CD2 3.71Å; Y384-L386 HydrophobicContact CD1-CD2 4.38Å; L386-L429 HydrophobicContact CD2-CD1 4.04Å
387	I	96.9	Very high	91.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117	-167.6	-64.9	173.5	0	0	0	107.9	S389 S391 V393 I460 D463 S464 K467	I387-S389 PolarHBondContact O-N 3.26Å; I387-S391 PolarHBondContact N-O 3.33Å; I387-S391 PolarHBondContact O-N 3.13Å; I387-V393 HydrophobicContact CD1-CB 4.17Å; I387-V393 HydrophobicContact CD1-CG1 4.05Å; I387-I460 HydrophobicContact CG2-CB 4.43Å; I387-I460 HydrophobicContact CG2-CG1 4.39Å; I387-I460 HydrophobicContact CG2-CG2 4.25Å; I387-D463 HydrophobicContact CB-CB 4.27Å; I387-D463 HydrophobicContact CD1-CB 4.14Å; I387-D463 HydrophobicContact CG1-CB 3.98Å; I387-D463 HydrophobicContact CG2-CB 3.47Å; I387-D463 VanDerWaalsContact CG2-CB 3.47Å; I387-S464 WeakPolarHBondContact CD1-OG 3.09Å; I387-K467 HydrophobicContact CG1-CD 4.29Å
388	G	94.4	Very high	91.8	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-130.8	-178.9	0	0	0	0	0	113.4	R376 D455	R376-G388 PolarHBondContact NH1-O 2.92Å; R376-G388 PolarHBondContact NH2-O 2.74Å; G388-D455 VanDerWaalsContact CA-OD1 3.3Å; G388-D455 WeakPolarHBondContact CA-OD1 3.28Å
389	S	94.9	Very high	92	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-12.7	-174.4	65.3	0	0	0	0	114.8	M370 I371 I387 K453 D455	M370-S389 CarbonylContact C-O 3.28Å; M370-S389 WeakPolarHBondContact CA-O 3.33Å; M370-S389 WeakPolarHBondContact CB-O 3.28Å; M370-S389 PolarHBondContact N-O 2.77Å; I371-S389 WeakPolarHBondContact CG1-O 3.3Å; I371-S389 PolarHBondContact N-O 3.39Å; I387-S389 PolarHBondContact O-N 3.26Å; S389-K453 PolarHBondContact OG-O 3.05Å; S389-D455 WeakPolarHBondContact CB-OD2 3.37Å; S389-D455 PolarHBondContact N-OD2 3.12Å; S389-D455 PolarHBondContact OG-OD2 3.46Å
390	H	95.3	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.6	-7.3	-172.4	63.3	79.8	0	0	0	118	M370 P427 L429 W450 K453 D455 I460 Y506	M370-H390 HydrophobicContact CB-CB 3.64Å; M370-H390 HydrophobicContact CE-CB 3.84Å; M370-H390 HydrophobicContact CG-CB 4.25Å; M370-H390 HydrophobicContact SD-CB 3.72Å; H390-P427 PolarHBondContact CE1-O 3.38Å; H390-P427 VanDerWaalsContact CE1-O 3.26Å; H390-P427 PolarHBondContact ND1-O 3.01Å; H390-L429 PolarHBondContact O-N 2.99Å; H390-L429 VanDerWaalsContact O-N 3.09Å; H390-W450 HydrophobicContact CB-CH2 4.01Å; H390-W450 HydrophobicContact CB-CZ2 4.32Å; H390-W450 AromaticContact CD2-CH2 3.87Å; H390-W450 AromaticContact CD2-CZ2 3.63Å; H390-W450 AromaticContact CE1-CH2 3.69Å; H390-W450 AromaticContact CE1-CZ2 3.98Å; H390-W450 AromaticContact CG-CH2 3.6Å; H390-W450 AromaticContact CG-CZ2 3.83Å; H390-W450 AromaticContact ND1-CH2 3.52Å; H390-W450 AromaticContact NE2-CH2 3.91Å; H390-W450 AromaticContact NE2-CZ2 3.72Å; H390-K453 PolarHBondContact CD2-O 2.79Å; H390-D455 PolarHBondContact CD2-N 2.95Å; H390-D455 IonicContact CD2-OD2 2.64Å; H390-D455 PolarHBondContact NE2-N 3.36Å; H390-I460 VanDerWaalsContact CE1-CD1 3.47Å; H390-I460 WeakPolarHBondContact CE1-CD1 3.4Å; H390-Y506 AromaticContact CE1-CD2 3.74Å; H390-Y506 AromaticContact CE1-CE2 3.42Å; H390-Y506 VanDerWaalsContact CE1-CE2 3.42Å; H390-Y506 WeakPolarHBondContact CE1-CE2 3.49Å; H390-Y506 AromaticContact NE2-CE2 3.87Å
391	S	97.2	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	171.2	-171.2	-63	0	0	0	0	112.8	I387 T426 P427 I460	I387-S391 PolarHBondContact N-O 3.33Å; I387-S391 PolarHBondContact O-N 3.13Å; S391-T426 WeakPolarHBondContact CA-O 3.41Å; S391-T426 WeakPolarHBondContact CB-O 3.39Å; S391-P427 WeakPolarHBondContact OG-CA 3.47Å; S391-P427 PolarHBondContact OG-O 3.01Å; S391-I460 WeakPolarHBondContact OG-CD1 3.21Å
392	G	96.3	Very high	92.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	151.4	170.7	0	0	0	0	0	115.1	K385 T425 T426 L499	K385-G392 WeakPolarHBondContact O-CA 3.41Å; G392-T425 CarbonylContact O-C 3.36Å; G392-T425 WeakPolarHBondContact O-CA 3.38Å; G392-T425 PolarHBondContact O-OG1 3.42Å; G392-T425 VanDerWaalsContact O-OG1 3.1Å; G392-T426 PolarHBondContact N-O 3.46Å; G392-T426 VanDerWaalsContact N-O 3.09Å; G392-T426 PolarHBondContact O-N 3Å; G392-L499 VanDerWaalsContact O-CD2 3.28Å; G392-L499 WeakPolarHBondContact O-CD2 3.32Å
393	V	97.7	Very high	92.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.6	177.8	68.2	0	0	0	0	110.6	K385 I387 M423 E424 K467 H468 M471	K385-V393 HydrophobicContact CB-CG1 3.86Å; K385-V393 PolarHBondContact N-O 2.78Å; K385-V393 PolarHBondContact O-N 3.21Å; I387-V393 HydrophobicContact CD1-CB 4.17Å; I387-V393 HydrophobicContact CD1-CG1 4.05Å; V393-M423 HydrophobicContact CG2-CG 3.71Å; V393-M423 HydrophobicContact CG2-SD 4.35Å; V393-E424 WeakPolarHBondContact CG2-O 3.38Å; V393-K467 HydrophobicContact CG1-CB 3.76Å; V393-H468 HydrophobicContact CG2-CB 4.27Å; V393-M471 HydrophobicContact CG1-CE 4.13Å; V393-M471 HydrophobicContact CG2-CE 4.38Å
394	K	94.8	Very high	92.7	Very high	54 Å²	54	28.1 Å²	28.1	24%	0.235	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.9	173.8	177.6	163.8	171	170.3	0	110.5	Q382 Y384 E424 L499	Q382-K394 PolarHBondContact O-NZ 2.81Å; Y384-K394 HydrophobicContact CD2-CB 4.45Å; Y384-K394 HydrophobicContact CD2-CD 3.56Å; Y384-K394 HydrophobicContact CE2-CB 4.37Å; Y384-K394 HydrophobicContact CE2-CD 3.27Å; Y384-K394 HydrophobicContact CE2-CG 4.41Å; Y384-K394 HydrophobicContact CG-CD 4.47Å; K394-E424 PolarHBondContact N-O 2.84Å; K394-L499 HydrophobicContact CB-CD1 3.72Å; K394-L499 HydrophobicContact CB-CD2 3.93Å; K394-L499 HydrophobicContact CB-CG 4.5Å; K394-L499 HydrophobicContact CD-CD1 4.47Å; K394-L499 HydrophobicContact CG-CD1 4.49Å
395	L	90.6	Very high	92.7	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	13%	0.131	C	C	.	.			trans	-84.2	120.1	171.8	-156.1	69.3	0	0	0	110.6	T399 K400 M471 I472 F475	L395-T399 HydrophobicContact CD1-CG2 3.62Å; L395-T399 HydrophobicContact CD2-CG2 4.45Å; L395-T399 HydrophobicContact CG-CG2 3.97Å; L395-K400 HydrophobicContact CD2-CG 3.99Å; L395-M471 HydrophobicContact CB-CB 4.43Å; L395-M471 HydrophobicContact CB-CE 4.32Å; L395-M471 HydrophobicContact CB-SD 4Å; L395-M471 HydrophobicContact CD1-CB 4.29Å; L395-M471 HydrophobicContact CD2-CB 4.43Å; L395-I472 HydrophobicContact CD1-CD1 3.81Å; L395-I472 HydrophobicContact CD1-CG1 4.36Å; L395-F475 HydrophobicContact CD2-CD2 4.19Å; L395-F475 HydrophobicContact CD2-CE2 3.33Å; L395-F475 HydrophobicContact CD2-CZ 3.86Å
396	C	89.2	Confident	92.3	Very high	30 Å²	30	27.4 Å²	27.4	20%	0.203	13%	0.127	C	C	.	.			trans	-63.3	149.8	179.1	-168.2	0	0	0	0	111.4	W398 T399 E424	C396-W398 PolarHBondContact O-N 3.07Å; C396-T399 WeakPolarHBondContact O-CB 3.29Å; C396-T399 PolarHBondContact O-N 3.43Å; C396-E424 WeakPolarHBondContact CA-OE2 3.25Å; C396-E424 VanDerWaalsContact CB-OE2 3.25Å; C396-E424 WeakPolarHBondContact CB-OE2 3.47Å
397	R	86.5	Confident	92	Very high	182 Å²	182	26.3 Å²	26.3	69%	0.687	12%	0.121	S	C	*	.	H	α-helix	trans	-54.6	-39.6	172.5	173	177.1	164.1	-174.6	-8.6	111.4	K400 S401	R397-K400 PolarHBondContact O-N 2.99Å; R397-S401 PolarHBondContact O-N 3.44Å
398	W	89.4	Confident	91.7	Very high	42 Å²	42	26.5 Å²	26.5	16%	0.159	12%	0.123	C	C	.	.	H	α-helix	trans	-74.7	-28.5	-176.2	-68.4	106.9	0	0	0	113.6	C396 K400 S401 M402 G408 C409 H662 H664 S665	C396-W398 PolarHBondContact O-N 3.07Å; W398-K400 VanDerWaalsContact C-N 3.32Å; W398-K400 PolarHBondContact O-N 3.33Å; W398-S401 WeakPolarHBondContact O-CB 3.34Å; W398-S401 PolarHBondContact O-N 2.94Å; W398-S401 VanDerWaalsContact O-N 3.12Å; W398-M402 WeakPolarHBondContact O-CB 3.41Å; W398-M402 PolarHBondContact O-N 2.59Å; W398-G408 VanDerWaalsContact CE3-C 3.41Å; W398-G408 WeakPolarHBondContact CZ3-O 3.41Å; W398-C409 HydrophobicContact CB-CB 3.69Å; W398-C409 VanDerWaalsContact CD1-CB 3.47Å; W398-C409 HydrophobicContact CD2-CB 3.73Å; W398-C409 HydrophobicContact CE3-CB 4.45Å; W398-C409 HydrophobicContact CG-CB 3.35Å; W398-H662 AromaticContact CH2-CE1 4Å; W398-H664 AromaticContact CH2-CD2 3.52Å; W398-S665 WeakPolarHBondContact CZ2-OG 3.46Å
399	T	92.1	Very high	91.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-56.4	-47.9	168.1	-50.2	0	0	0	0	110.8	L395 C396 S401 M402 L403 S419 I472	L395-T399 HydrophobicContact CD1-CG2 3.62Å; L395-T399 HydrophobicContact CD2-CG2 4.45Å; L395-T399 HydrophobicContact CG-CG2 3.97Å; C396-T399 WeakPolarHBondContact O-CB 3.29Å; C396-T399 PolarHBondContact O-N 3.43Å; T399-S401 PolarHBondContact O-N 3.1Å; T399-M402 PolarHBondContact O-N 3.27Å; T399-L403 HydrophobicContact CG2-CD1 3.98Å; T399-L403 HydrophobicContact CG2-CG 4.4Å; T399-L403 VanDerWaalsContact O-CB 3.27Å; T399-L403 WeakPolarHBondContact O-CB 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.25Å; T399-L403 PolarHBondContact O-N 3.34Å; T399-S419 VanDerWaalsContact CA-O 3.22Å; T399-S419 WeakPolarHBondContact CA-O 3.17Å; T399-S419 WeakPolarHBondContact CB-O 3.27Å; T399-S419 PolarHBondContact OG1-O 3.41Å; T399-I472 HydrophobicContact CG2-CD1 3.77Å
400	K	86.8	Confident	91.6	Very high	87 Å²	87	27 Å²	27	38%	0.378	12%	0.12	S	C	.	.	H	α-helix	trans	-64.3	-22.4	177.4	-55.3	-171	179.7	-171	0	114.3	L395 R397 W398 R404 F475	L395-K400 HydrophobicContact CD2-CG 3.99Å; R397-K400 PolarHBondContact O-N 2.99Å; W398-K400 VanDerWaalsContact C-N 3.32Å; W398-K400 PolarHBondContact O-N 3.33Å; K400-R404 PolarHBondContact O-NH1 3.47Å; K400-F475 HydrophobicContact CB-CE1 4.36Å; K400-F475 HydrophobicContact CB-CZ 4.44Å; K400-F475 HydrophobicContact CD-CE1 4.42Å; K400-F475 HydrophobicContact CD-CZ 3.92Å; K400-F475 HydrophobicContact CG-CE1 4.14Å; K400-F475 HydrophobicContact CG-CZ 3.73Å
401	S	87.3	Confident	91.8	Very high	25 Å²	25	28 Å²	28	18%	0.175	13%	0.125	C	C	.	.	H	α-helix	trans	-83.1	-53.2	177.8	-174.4	0	0	0	0	110.8	R397 W398 T399 L403 R404 G405 R406 G407	R397-S401 PolarHBondContact O-N 3.44Å; W398-S401 WeakPolarHBondContact O-CB 3.34Å; W398-S401 PolarHBondContact O-N 2.94Å; W398-S401 VanDerWaalsContact O-N 3.12Å; T399-S401 PolarHBondContact O-N 3.1Å; S401-L403 PolarHBondContact O-N 3.18Å; S401-R404 CarbonylContact O-C 3.52Å; S401-R404 WeakPolarHBondContact O-CA 3.37Å; S401-R404 PolarHBondContact O-N 2.98Å; S401-G405 PolarHBondContact O-N 2.73Å; S401-R406 PolarHBondContact O-N 2.96Å; S401-R406 PolarHBondContact OG-O 3.19Å; S401-G407 VanDerWaalsContact CB-O 3.29Å; S401-G407 WeakPolarHBondContact CB-O 3.23Å; S401-G407 PolarHBondContact OG-O 3.23Å
402	M	94	Very high	91.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-34.5	-177.2	-160.7	165.1	179.6	0	0	112	W398 T399 R404 G405 G407 S419 H420 R485	W398-M402 WeakPolarHBondContact O-CB 3.41Å; W398-M402 PolarHBondContact O-N 2.59Å; T399-M402 PolarHBondContact O-N 3.27Å; M402-R404 PolarHBondContact O-N 3.19Å; M402-R404 VanDerWaalsContact O-N 3.09Å; M402-G405 PolarHBondContact O-N 3.43Å; M402-G407 PolarHBondContact N-O 3.46Å; M402-S419 PolarHBondContact SD-N 2.95Å; M402-H420 HydrophobicContact CB-CB 4.22Å; M402-H420 HydrophobicContact CG-CB 4.42Å; M402-R485 WeakPolarHBondContact O-CD 3.49Å; M402-R485 PolarHBondContact O-NH1 2.86Å
403	L	90.4	Very high	91.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.5	167.8	-80	170.8	0	0	0	113.3	T399 S401 H420 I472 F475 V481 K482 R485	T399-L403 HydrophobicContact CG2-CD1 3.98Å; T399-L403 HydrophobicContact CG2-CG 4.4Å; T399-L403 VanDerWaalsContact O-CB 3.27Å; T399-L403 WeakPolarHBondContact O-CB 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.25Å; T399-L403 PolarHBondContact O-N 3.34Å; S401-L403 PolarHBondContact O-N 3.18Å; L403-H420 HydrophobicContact CD2-CB 4.03Å; L403-H420 HydrophobicContact CG-CB 3.96Å; L403-I472 HydrophobicContact CD1-CD1 4.01Å; L403-F475 HydrophobicContact CD1-CB 4.42Å; L403-F475 HydrophobicContact CD1-CD1 4.34Å; L403-F475 HydrophobicContact CD1-CD2 4.27Å; L403-F475 HydrophobicContact CD1-CG 4.05Å; L403-V481 CarbonylContact O-C 3.43Å; L403-V481 WeakPolarHBondContact O-CA 3.3Å; L403-K482 PolarHBondContact O-N 3.33Å; L403-R485 HydrophobicContact CD2-CB 4.5Å; L403-R485 VanDerWaalsContact CD2-O 3.28Å; L403-R485 WeakPolarHBondContact CD2-O 3.31Å
404	R	89	Confident	91.9	Very high	22 Å²	22	28.8 Å²	28.8	8%	0.083	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	9.7	179	-65.9	-168.3	178.7	93.5	-20.9	114.7	K400 S401 M402 R406 V478 P479 G480 V481	K400-R404 PolarHBondContact O-NH1 3.47Å; S401-R404 CarbonylContact O-C 3.52Å; S401-R404 WeakPolarHBondContact O-CA 3.37Å; S401-R404 PolarHBondContact O-N 2.98Å; M402-R404 PolarHBondContact O-N 3.19Å; M402-R404 VanDerWaalsContact O-N 3.09Å; R404-R406 HydrophobicContact CB-CG 3.93Å; R404-R406 PolarHBondContact O-N 2.83Å; R404-V478 VanDerWaalsContact NH2-CG1 3.32Å; R404-P479 PolarHBondContact NE-O 2.96Å; R404-G480 CarbonylContact C-O 3.54Å; R404-G480 WeakPolarHBondContact CA-O 3.27Å; R404-G480 VanDerWaalsContact CB-O 3.3Å; R404-G480 WeakPolarHBondContact CB-O 3.25Å; R404-V481 HydrophobicContact CG-CG2 3.83Å
405	G	90.8	Very high	92.1	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	23.8	-174.1	0	0	0	0	0	114.7	S401 M402 D732 T733	S401-G405 PolarHBondContact O-N 2.73Å; M402-G405 PolarHBondContact O-N 3.43Å; G405-D732 VanDerWaalsContact CA-CG 3.47Å; G405-D732 WeakPolarHBondContact CA-OD1 3.11Å; G405-D732 WeakPolarHBondContact CA-OD2 3.5Å; G405-D732 WeakPolarHBondContact O-CB 3.33Å; G405-T733 PolarHBondContact O-N 2.95Å
406	R	88.4	Confident	92.4	Very high	63 Å²	63	26 Å²	26	24%	0.238	12%	0.118	C	C	.	.	S	Bend	trans	-98.4	11.8	-174.6	-60.9	-177.5	-176.8	-172.3	4	114	S401 R404 D732 T733 F735 D743	S401-R406 PolarHBondContact O-N 2.96Å; S401-R406 PolarHBondContact OG-O 3.19Å; R404-R406 HydrophobicContact CB-CG 3.93Å; R404-R406 PolarHBondContact O-N 2.83Å; R406-D732 PolarHBondContact N-OD2 2.93Å; R406-T733 WeakPolarHBondContact CA-O 3.32Å; R406-F735 HydrophobicContact CB-CB 4.12Å; R406-F735 HydrophobicContact CG-CB 3.99Å; R406-D743 IonicContact NH1-OD2 3.03Å
407	G	89.6	Confident	92.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	11%	0.109	C	C	.	.			trans	102.4	140.6	-178	0	0	0	0	0	113.4	S401 M402 D732	S401-G407 VanDerWaalsContact CB-O 3.29Å; S401-G407 WeakPolarHBondContact CB-O 3.23Å; S401-G407 PolarHBondContact OG-O 3.23Å; M402-G407 PolarHBondContact N-O 3.46Å; G407-D732 VanDerWaalsContact CA-OD2 3.28Å; G407-D732 WeakPolarHBondContact CA-OD2 3.31Å; G407-D732 PolarHBondContact N-OD2 3Å
408	G	90.1	Very high	93.3	Very high	5 Å²	5	18.6 Å²	18.6	5%	0.052	9%	0.089	C	C	.	.			trans	-82.2	176.6	170	0	0	0	0	0	113.5	W398	W398-G408 VanDerWaalsContact CE3-C 3.41Å; W398-G408 WeakPolarHBondContact CZ3-O 3.41Å
409	C	92.8	Very high	93.6	Very high	17 Å²	17	16.8 Å²	16.8	12%	0.115	8%	0.082	C	C	.	.			trans	-74.8	167.8	174	77.5	0	0	0	0	111.8	W398 K411 H412 S419	W398-C409 HydrophobicContact CB-CB 3.69Å; W398-C409 VanDerWaalsContact CD1-CB 3.47Å; W398-C409 HydrophobicContact CD2-CB 3.73Å; W398-C409 HydrophobicContact CE3-CB 4.45Å; W398-C409 HydrophobicContact CG-CB 3.35Å; C409-K411 PolarHBondContact O-N 2.83Å; C409-K411 PolarHBondContact SG-N 3.2Å; C409-K411 VanDerWaalsContact SG-N 3.44Å; C409-H412 WeakPolarHBondContact O-CB 3.08Å; C409-H412 PolarHBondContact O-N 3.34Å; C409-S419 PolarHBondContact N-OG 3.39Å; C409-S419 PolarHBondContact SG-OG 3.08Å
410	Y	96.3	Very high	93.9	Very high	18 Å²	18	16.7 Å²	16.7	7%	0.071	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-24.1	177.2	75	-87.5	0	0	0	115	H412 T413 F414 E616 H662 C667	Y410-H412 VanDerWaalsContact C-N 3.26Å; Y410-H412 PolarHBondContact O-N 3.11Å; Y410-T413 VanDerWaalsContact O-CB 3.31Å; Y410-T413 WeakPolarHBondContact O-CB 3.26Å; Y410-T413 PolarHBondContact O-N 3.27Å; Y410-F414 AromaticContact CD2-CD2 3.58Å; Y410-F414 HydrophobicContact CD2-CD2 3.58Å; Y410-F414 AromaticContact CD2-CE2 3.48Å; Y410-F414 HydrophobicContact CD2-CE2 3.48Å; Y410-F414 VanDerWaalsContact CD2-CE2 3.48Å; Y410-F414 HydrophobicContact CD2-CG 4.26Å; Y410-F414 HydrophobicContact CD2-CZ 4.07Å; Y410-F414 HydrophobicContact CE2-CD2 4.02Å; Y410-F414 HydrophobicContact CE2-CE2 4Å; Y410-F414 WeakPolarHBondContact O-CD1 3.36Å; Y410-F414 WeakPolarHBondContact O-CG 3.36Å; Y410-F414 PolarHBondContact O-N 3.09Å; Y410-E616 VanDerWaalsContact CE2-CD 3.41Å; Y410-E616 HydrophobicContact CE2-CG 4.23Å; Y410-E616 WeakPolarHBondContact CE2-OE1 3.17Å; Y410-E616 VanDerWaalsContact CE2-OE2 3.27Å; Y410-E616 WeakPolarHBondContact CE2-OE2 3.12Å; Y410-E616 PolarHBondContact OH-OE2 3.5Å; Y410-H662 VanDerWaalsContact CA-ND1 3.25Å; Y410-H662 WeakPolarHBondContact CA-ND1 3.47Å; Y410-H662 WeakPolarHBondContact CB-ND1 3.46Å; Y410-H662 PolarHBondContact N-ND1 3.21Å; Y410-C667 HydrophobicContact CD2-CB 4.4Å; Y410-C667 HydrophobicContact CG-CB 4.31Å
411	K	97.7	Very high	94.4	Very high	22 Å²	22	14.8 Å²	14.8	10%	0.096	7%	0.072	C	C	.	.	H	α-helix	trans	-72.8	-18.9	175.6	-56.2	-165	176.2	-161.3	0	113.5	C409 Y415 G416 I417 Y545	C409-K411 PolarHBondContact O-N 2.83Å; C409-K411 PolarHBondContact SG-N 3.2Å; C409-K411 VanDerWaalsContact SG-N 3.44Å; K411-Y415 HydrophobicContact CB-CD2 4.05Å; K411-Y415 HydrophobicContact CG-CD2 4.37Å; K411-Y415 HydrophobicContact CG-CE2 4.41Å; K411-Y415 PolarHBondContact O-N 3.05Å; K411-G416 PolarHBondContact O-N 3.5Å; K411-I417 HydrophobicContact CB-CB 4.02Å; K411-I417 HydrophobicContact CB-CD1 3.63Å; K411-I417 HydrophobicContact CB-CG1 3.99Å; K411-I417 HydrophobicContact CD-CD1 3.73Å; K411-I417 HydrophobicContact CG-CD1 4.32Å; K411-I417 PolarHBondContact O-N 3.19Å; K411-I417 VanDerWaalsContact O-N 3.13Å; K411-Y545 WeakPolarHBondContact CE-OH 3.39Å; K411-Y545 PolarHBondContact NZ-OH 3.18Å
412	H	97.8	Very high	94.9	Very high	15 Å²	15	14.4 Å²	14.4	7%	0.069	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-54.7	165.7	-173.6	59.6	0	0	0	109.4	C409 Y410 F414 G416 I417 W684 W718 D729	C409-H412 WeakPolarHBondContact O-CB 3.08Å; C409-H412 PolarHBondContact O-N 3.34Å; Y410-H412 VanDerWaalsContact C-N 3.26Å; Y410-H412 PolarHBondContact O-N 3.11Å; H412-F414 PolarHBondContact O-N 3.29Å; H412-G416 VanDerWaalsContact O-CA 3.27Å; H412-G416 WeakPolarHBondContact O-CA 3.38Å; H412-G416 PolarHBondContact O-N 2.69Å; H412-I417 WeakPolarHBondContact CA-O 3.45Å; H412-I417 WeakPolarHBondContact CB-O 3.46Å; H412-W684 VanDerWaalsContact O-CZ2 3.27Å; H412-W684 WeakPolarHBondContact O-CZ2 3.39Å; H412-W684 PolarHBondContact O-NE1 2.85Å; H412-W718 AromaticContact CD2-CH2 3.75Å; H412-W718 AromaticContact NE2-CH2 3.91Å; H412-D729 IonicContact CD2-OD2 2.71Å; H412-D729 IonicContact CE1-OD2 2.65Å; H412-D729 IonicContact NE2-OD2 3.09Å; H412-D729 PolarHBondContact NE2-OD2 3.11Å
413	T	98.1	Very high	95.1	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-53.2	-50	174.5	-42	0	0	0	0	112.5	Y410 E661 H662 W684 W718 A719 G727	Y410-T413 VanDerWaalsContact O-CB 3.31Å; Y410-T413 WeakPolarHBondContact O-CB 3.26Å; Y410-T413 PolarHBondContact O-N 3.27Å; T413-E661 WeakPolarHBondContact CG2-O 3.42Å; T413-H662 HydrophobicContact CG2-CB 4.43Å; T413-W684 PolarHBondContact O-NE1 3.46Å; T413-W718 HydrophobicContact CG2-CE3 4.47Å; T413-W718 HydrophobicContact CG2-CZ3 3.94Å; T413-A719 HydrophobicContact CG2-CB 3.62Å; T413-A719 WeakPolarHBondContact O-CB 3.35Å; T413-G727 VanDerWaalsContact CG2-CA 3.43Å; T413-G727 WeakPolarHBondContact CG2-O 3.33Å; T413-G727 PolarHBondContact OG1-O 2.61Å
414	F	98.5	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-77.8	-36.2	-170.9	-68.5	4.4	0	0	0	113.6	Y410 H412 E616 C660 H662 C667 L669 T683	Y410-F414 AromaticContact CD2-CD2 3.58Å; Y410-F414 HydrophobicContact CD2-CD2 3.58Å; Y410-F414 AromaticContact CD2-CE2 3.48Å; Y410-F414 HydrophobicContact CD2-CE2 3.48Å; Y410-F414 VanDerWaalsContact CD2-CE2 3.48Å; Y410-F414 HydrophobicContact CD2-CG 4.26Å; Y410-F414 HydrophobicContact CD2-CZ 4.07Å; Y410-F414 HydrophobicContact CE2-CD2 4.02Å; Y410-F414 HydrophobicContact CE2-CE2 4Å; Y410-F414 WeakPolarHBondContact O-CD1 3.36Å; Y410-F414 WeakPolarHBondContact O-CG 3.36Å; Y410-F414 PolarHBondContact O-N 3.09Å; H412-F414 PolarHBondContact O-N 3.29Å; F414-E616 HydrophobicContact CD2-CG 4.25Å; F414-E616 HydrophobicContact CE2-CG 4.24Å; F414-C660 HydrophobicContact CD1-CB 3.47Å; F414-C660 VanDerWaalsContact CD1-CB 3.47Å; F414-C660 HydrophobicContact CE1-CB 3.66Å; F414-C660 HydrophobicContact CG-CB 4.38Å; F414-H662 HydrophobicContact CE1-CB 4.27Å; F414-C667 HydrophobicContact CZ-CB 4.19Å; F414-L669 HydrophobicContact CB-CD2 4Å; F414-L669 HydrophobicContact CD1-CB 4.12Å; F414-L669 HydrophobicContact CD1-CD2 4.49Å; F414-L669 HydrophobicContact CD2-CB 3.79Å; F414-L669 HydrophobicContact CD2-CD1 3.85Å; F414-L669 HydrophobicContact CD2-CD2 4.28Å; F414-L669 HydrophobicContact CD2-CG 4.19Å; F414-L669 HydrophobicContact CE1-CB 4.06Å; F414-L669 HydrophobicContact CE2-CB 3.7Å; F414-L669 HydrophobicContact CE2-CD1 4.28Å; F414-L669 HydrophobicContact CG-CB 4.01Å; F414-L669 HydrophobicContact CG-CD1 4.41Å; F414-L669 HydrophobicContact CG-CD2 4.02Å; F414-L669 HydrophobicContact CG-CG 4.39Å; F414-L669 HydrophobicContact CZ-CB 3.86Å; F414-T683 CarbonylContact O-C 3.54Å; F414-T683 WeakPolarHBondContact O-CB 3.37Å; F414-T683 PolarHBondContact O-OG1 3.15Å
415	Y	98.6	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-137.9	-1.3	-166.3	-43.3	-63.1	0	0	0	115.3	K411 Q543 Y545 F614 E616 L669 I685 Y687	K411-Y415 HydrophobicContact CB-CD2 4.05Å; K411-Y415 HydrophobicContact CG-CD2 4.37Å; K411-Y415 HydrophobicContact CG-CE2 4.41Å; K411-Y415 PolarHBondContact O-N 3.05Å; Y415-Q543 VanDerWaalsContact CE2-NE2 3.35Å; Y415-Q543 VanDerWaalsContact CZ-NE2 3.32Å; Y415-Y545 WeakPolarHBondContact CE2-OH 3.42Å; Y415-F614 HydrophobicContact CE1-CD1 4.41Å; Y415-F614 HydrophobicContact CE1-CD2 4.38Å; Y415-F614 HydrophobicContact CE1-CG 4.24Å; Y415-E616 VanDerWaalsContact CE2-OE1 3.23Å; Y415-E616 WeakPolarHBondContact CE2-OE1 3.26Å; Y415-E616 WeakPolarHBondContact OH-CG 3.48Å; Y415-E616 PolarHBondContact OH-OE1 2.78Å; Y415-E616 VanDerWaalsContact OH-OE1 3.06Å; Y415-L669 HydrophobicContact CE1-CD1 4.18Å; Y415-L669 HydrophobicContact CE1-CD2 4.31Å; Y415-L669 VanDerWaalsContact OH-CD1 3.29Å; Y415-L669 WeakPolarHBondContact OH-CD1 3.39Å; Y415-I685 PolarHBondContact O-N 3.09Å; Y415-Y687 PolarHBondContact O-OH 2.95Å
416	G	97.8	Very high	96.2	Very high	8 Å²	8	15 Å²	15	8%	0.082	7%	0.072	C	C	.	.			trans	74.9	25.1	-174.1	0	0	0	0	0	114.9	K411 H412 E418 Y687	K411-G416 PolarHBondContact O-N 3.5Å; H412-G416 VanDerWaalsContact O-CA 3.27Å; H412-G416 WeakPolarHBondContact O-CA 3.38Å; H412-G416 PolarHBondContact O-N 2.69Å; G416-E418 PolarHBondContact O-N 3.48Å; G416-Y687 WeakPolarHBondContact O-CE2 2.94Å
417	I	97.8	Very high	96.6	Very high	4 Å²	4	12 Å²	12	2%	0.021	6%	0.061	C	C	.	.			trans	-73.4	106.5	175.5	-56	-173.3	0	0	0	110.9	K411 H412 S419 C422 H494 F524 Y687	K411-I417 HydrophobicContact CB-CB 4.02Å; K411-I417 HydrophobicContact CB-CD1 3.63Å; K411-I417 HydrophobicContact CB-CG1 3.99Å; K411-I417 HydrophobicContact CD-CD1 3.73Å; K411-I417 HydrophobicContact CG-CD1 4.32Å; K411-I417 PolarHBondContact O-N 3.19Å; K411-I417 VanDerWaalsContact O-N 3.13Å; H412-I417 WeakPolarHBondContact CA-O 3.45Å; H412-I417 WeakPolarHBondContact CB-O 3.46Å; I417-S419 PolarHBondContact O-N 3.27Å; I417-S419 PolarHBondContact O-OG 2.88Å; I417-C422 HydrophobicContact CG2-CB 4.26Å; I417-H494 HydrophobicContact CG2-CB 4.08Å; I417-F524 HydrophobicContact CD1-CD1 3.87Å; I417-F524 HydrophobicContact CD1-CD2 4.03Å; I417-F524 HydrophobicContact CD1-CE1 3.43Å; I417-F524 VanDerWaalsContact CD1-CE1 3.43Å; I417-F524 HydrophobicContact CD1-CE2 3.58Å; I417-F524 HydrophobicContact CD1-CG 4.15Å; I417-F524 HydrophobicContact CD1-CZ 3.25Å; I417-F524 HydrophobicContact CG1-CE1 4.13Å; I417-F524 HydrophobicContact CG1-CE2 4.06Å; I417-F524 HydrophobicContact CG1-CZ 3.61Å; I417-Y687 WeakPolarHBondContact CG1-OH 3.42Å
418	E	97.1	Very high	96.9	Very high	53 Å²	53	12 Å²	12	25%	0.248	6%	0.06	C	C	.	.			trans	-63.9	102.7	173.5	-63	-162.2	88.4	0	0	110.7	G416 H420 R421 C422 H494	G416-E418 PolarHBondContact O-N 3.48Å; E418-H420 PolarHBondContact O-N 3.45Å; E418-H420 IonicContact OE1-CE1 2.97Å; E418-H420 PolarHBondContact OE1-CE1 3.33Å; E418-H420 VanDerWaalsContact OE1-CE1 3.24Å; E418-H420 IonicContact OE1-NE2 3.03Å; E418-R421 HydrophobicContact CB-CB 4.18Å; E418-R421 HydrophobicContact CB-CG 3.99Å; E418-R421 VanDerWaalsContact CD-CD 3.5Å; E418-R421 CarbonylContact O-C 3.58Å; E418-R421 PolarHBondContact O-N 3.31Å; E418-R421 WeakPolarHBondContact OE2-CD 3.19Å; E418-R421 IonicContact OE2-CZ 3.11Å; E418-R421 IonicContact OE2-NE 3.96Å; E418-R421 IonicContact OE2-NH1 3.37Å; E418-R421 PolarHBondContact OE2-NH1 2.88Å; E418-C422 PolarHBondContact O-N 2.79Å; E418-H494 PolarHBondContact N-NE2 2.83Å; E418-H494 VanDerWaalsContact N-NE2 3.18Å
419	S	95.8	Very high	97	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.021	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-69.8	-20.7	-169.4	-57.4	0	0	0	0	113.4	T399 M402 C409 I417 R421	T399-S419 VanDerWaalsContact CA-O 3.22Å; T399-S419 WeakPolarHBondContact CA-O 3.17Å; T399-S419 WeakPolarHBondContact CB-O 3.27Å; T399-S419 PolarHBondContact OG1-O 3.41Å; M402-S419 PolarHBondContact SD-N 2.95Å; C409-S419 PolarHBondContact N-OG 3.39Å; C409-S419 PolarHBondContact SG-OG 3.08Å; I417-S419 PolarHBondContact O-N 3.27Å; I417-S419 PolarHBondContact O-OG 2.88Å; S419-R421 VanDerWaalsContact C-N 3.31Å
420	H	97.1	Very high	97	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-76.3	-16	171	59.5	-63.3	0	0	0	113.9	M402 L403 E418 R485 E488 G489	M402-H420 HydrophobicContact CB-CB 4.22Å; M402-H420 HydrophobicContact CG-CB 4.42Å; L403-H420 HydrophobicContact CD2-CB 4.03Å; L403-H420 HydrophobicContact CG-CB 3.96Å; E418-H420 PolarHBondContact O-N 3.45Å; E418-H420 IonicContact OE1-CE1 2.97Å; E418-H420 PolarHBondContact OE1-CE1 3.33Å; E418-H420 VanDerWaalsContact OE1-CE1 3.24Å; E418-H420 IonicContact OE1-NE2 3.03Å; H420-R485 PolarHBondContact CD2-O 2.88Å; H420-E488 IonicContact CD2-OE2 3.59Å; H420-E488 IonicContact CE1-OE2 2.9Å; H420-E488 IonicContact NE2-OE2 3.61Å; H420-E488 PolarHBondContact NE2-OE2 3.39Å; H420-G489 WeakPolarHBondContact O-CA 3.27Å
421	R	98.1	Very high	96.7	Very high	47 Å²	47	11 Å²	11	18%	0.177	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-111.8	15.6	-179.2	-45	177.7	80.9	173.6	11.3	112.4	E418 S419 E488 A492 K493 H494	E418-R421 HydrophobicContact CB-CB 4.18Å; E418-R421 HydrophobicContact CB-CG 3.99Å; E418-R421 VanDerWaalsContact CD-CD 3.5Å; E418-R421 CarbonylContact O-C 3.58Å; E418-R421 PolarHBondContact O-N 3.31Å; E418-R421 WeakPolarHBondContact OE2-CD 3.19Å; E418-R421 IonicContact OE2-CZ 3.11Å; E418-R421 IonicContact OE2-NE 3.96Å; E418-R421 IonicContact OE2-NH1 3.37Å; E418-R421 PolarHBondContact OE2-NH1 2.88Å; S419-R421 VanDerWaalsContact C-N 3.31Å; R421-E488 HydrophobicContact CG-CB 4.39Å; R421-E488 PolarHBondContact NE-O 3.15Å; R421-A492 CarbonylContact O-C 3.45Å; R421-A492 WeakPolarHBondContact O-CA 3.15Å; R421-K493 HydrophobicContact CB-CB 4.29Å; R421-K493 PolarHBondContact O-N 3.42Å; R421-H494 PolarHBondContact O-N 2.88Å; R421-H494 VanDerWaalsContact O-N 3.16Å
422	C	98.3	Very high	96.4	Very high	17 Å²	17	10 Å²	10	12%	0.115	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.7	-175.2	-171	0	0	0	0	111.4	I417 E418 H468 H494	I417-C422 HydrophobicContact CG2-CB 4.26Å; E418-C422 PolarHBondContact O-N 2.79Å; C422-H468 PolarHBondContact O-CE1 2.98Å; C422-H468 VanDerWaalsContact O-CE1 3.3Å; C422-H494 WeakPolarHBondContact CA-O 3.25Å; C422-H494 HydrophobicContact CB-CB 4.16Å
423	M	98.2	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.1	175.4	-178.7	172.7	69.8	0	0	110.3	V393 T425 L461 S464 L465 H468 A492 H494 C495 A496 L516	V393-M423 HydrophobicContact CG2-CG 3.71Å; V393-M423 HydrophobicContact CG2-SD 4.35Å; M423-T425 HydrophobicContact CE-CG2 4.5Å; M423-L461 HydrophobicContact CE-CD1 4.11Å; M423-S464 VanDerWaalsContact SD-C 3.57Å; M423-L465 HydrophobicContact CE-CD2 3.95Å; M423-L465 HydrophobicContact CE-CG 4.33Å; M423-L465 HydrophobicContact SD-CD2 3.89Å; M423-L465 HydrophobicContact SD-CG 4.29Å; M423-H468 HydrophobicContact CG-CB 4.03Å; M423-H468 HydrophobicContact SD-CB 3.99Å; M423-A492 HydrophobicContact CB-CB 4.28Å; M423-H494 PolarHBondContact N-O 3.46Å; M423-C495 HydrophobicContact CE-CB 4.36Å; M423-C495 WeakPolarHBondContact O-CA 3.48Å; M423-A496 PolarHBondContact O-N 3.36Å; M423-L516 HydrophobicContact CE-CD2 4.49Å
424	E	97.5	Very high	95.5	Very high	41 Å²	41	13 Å²	13	19%	0.192	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.3	176.5	-165	179.7	-163.4	0	0	109.6	V393 K394 C396 L499	V393-E424 WeakPolarHBondContact CG2-O 3.38Å; K394-E424 PolarHBondContact N-O 2.84Å; C396-E424 WeakPolarHBondContact CA-OE2 3.25Å; C396-E424 VanDerWaalsContact CB-OE2 3.25Å; C396-E424 WeakPolarHBondContact CB-OE2 3.47Å; E424-L499 HydrophobicContact CG-CB 4.09Å; E424-L499 HydrophobicContact CG-CD1 3.84Å
425	T	97.7	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	170.9	-172.4	-160	0	0	0	0	112	G392 M423 S464 A496 L497 S498 L499	G392-T425 CarbonylContact O-C 3.36Å; G392-T425 WeakPolarHBondContact O-CA 3.38Å; G392-T425 PolarHBondContact O-OG1 3.42Å; G392-T425 VanDerWaalsContact O-OG1 3.1Å; M423-T425 HydrophobicContact CE-CG2 4.5Å; T425-S464 PolarHBondContact OG1-OG 3.14Å; T425-A496 PolarHBondContact N-O 2.73Å; T425-L497 HydrophobicContact CG2-CD2 3.69Å; T425-S498 PolarHBondContact O-N 3.12Å; T425-L499 WeakPolarHBondContact O-CB 3.19Å; T425-L499 PolarHBondContact O-N 2.98Å
426	T	96.8	Very high	93.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.3	164.4	-172	0	0	0	0	111.2	S391 G392 S428 L429 V500	S391-T426 WeakPolarHBondContact CA-O 3.41Å; S391-T426 WeakPolarHBondContact CB-O 3.39Å; G392-T426 PolarHBondContact N-O 3.46Å; G392-T426 VanDerWaalsContact N-O 3.09Å; G392-T426 PolarHBondContact O-N 3Å; T426-S428 VanDerWaalsContact C-N 3.28Å; T426-S428 PolarHBondContact OG1-N 3.32Å; T426-S428 VanDerWaalsContact OG1-N 3.07Å; T426-S428 PolarHBondContact OG1-O 2.92Å; T426-L429 HydrophobicContact CG2-CG 4.34Å; T426-V500 VanDerWaalsContact CB-O 3.27Å; T426-V500 WeakPolarHBondContact CB-O 3.4Å; T426-V500 HydrophobicContact CG2-CG1 3.73Å; T426-V500 WeakPolarHBondContact CG2-O 3.33Å; T426-V500 PolarHBondContact OG1-O 2.91Å
427	P	97.1	Very high	92.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-82.4	-6.5	166.8	36.1	-34.6	0	0	0	112.1	H390 S391 P503 Y506 I509	H390-P427 PolarHBondContact CE1-O 3.38Å; H390-P427 VanDerWaalsContact CE1-O 3.26Å; H390-P427 PolarHBondContact ND1-O 3.01Å; S391-P427 WeakPolarHBondContact OG-CA 3.47Å; S391-P427 PolarHBondContact OG-O 3.01Å; P427-P503 HydrophobicContact CG-CB 4.14Å; P427-Y506 HydrophobicContact CB-CD1 3.64Å; P427-Y506 HydrophobicContact CB-CD2 4.4Å; P427-Y506 HydrophobicContact CB-CE1 4.19Å; P427-Y506 HydrophobicContact CB-CG 3.75Å; P427-Y506 HydrophobicContact CG-CD1 4.15Å; P427-Y506 HydrophobicContact CG-CG 4.24Å; P427-I509 HydrophobicContact CG-CD1 4.13Å
428	S	95.3	Very high	91.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.			trans	-144.2	111.8	-177.3	177.8	0	0	0	0	110.9	T426 A430 V500 G501 E502	T426-S428 VanDerWaalsContact C-N 3.28Å; T426-S428 PolarHBondContact OG1-N 3.32Å; T426-S428 VanDerWaalsContact OG1-N 3.07Å; T426-S428 PolarHBondContact OG1-O 2.92Å; S428-A430 PolarHBondContact O-N 3.27Å; S428-A430 PolarHBondContact OG-N 3.31Å; S428-A430 PolarHBondContact OG-O 3.09Å; S428-V500 VanDerWaalsContact O-O 3.08Å; S428-G501 WeakPolarHBondContact O-CA 3.5Å; S428-E502 VanDerWaalsContact CB-O 3.26Å; S428-E502 WeakPolarHBondContact CB-O 3.35Å; S428-E502 PolarHBondContact OG-O 3.49Å
429	L	92.6	Very high	89.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.			trans	-73.7	-10	169.9	-86.9	156.3	0	0	0	113.6	M370 I371 L379 L386 H390 T426 V500	M370-L429 HydrophobicContact CG-CB 4.45Å; M370-L429 HydrophobicContact SD-CB 3.69Å; M370-L429 PolarHBondContact SD-N 2.94Å; M370-L429 VanDerWaalsContact SD-N 3.42Å; I371-L429 HydrophobicContact CD1-CD1 3.71Å; I371-L429 HydrophobicContact CG1-CD1 3.53Å; L379-L429 HydrophobicContact CD1-CD1 4.06Å; L379-L429 HydrophobicContact CD1-CD2 3.86Å; L386-L429 HydrophobicContact CD2-CD1 4.04Å; H390-L429 PolarHBondContact O-N 2.99Å; H390-L429 VanDerWaalsContact O-N 3.09Å; T426-L429 HydrophobicContact CG2-CG 4.34Å; L429-V500 HydrophobicContact CD2-CG1 3.41Å; L429-V500 VanDerWaalsContact CD2-CG1 3.41Å; L429-V500 HydrophobicContact CD2-CG2 4.4Å; L429-V500 HydrophobicContact CG-CG1 4.33Å
430	A	92.3	Very high	88.2	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.			trans	-93.8	146.5	-176.4	0	0	0	0	0	112.5	M370 S428 P445 W452 G501 E502 M505	M370-A430 HydrophobicContact CE-CB 3.6Å; M370-A430 HydrophobicContact CG-CB 4.42Å; M370-A430 HydrophobicContact SD-CB 3.67Å; M370-A430 PolarHBondContact SD-N 2.95Å; M370-A430 VanDerWaalsContact SD-N 3.37Å; S428-A430 PolarHBondContact O-N 3.27Å; S428-A430 PolarHBondContact OG-N 3.31Å; S428-A430 PolarHBondContact OG-O 3.09Å; A430-P445 VanDerWaalsContact CA-O 3.3Å; A430-P445 WeakPolarHBondContact CA-O 3.37Å; A430-P445 HydrophobicContact CB-CB 4.09Å; A430-W452 HydrophobicContact CB-CH2 3.56Å; A430-W452 HydrophobicContact CB-CZ2 4.08Å; A430-W452 HydrophobicContact CB-CZ3 3.89Å; A430-G501 CarbonylContact O-C 3.58Å; A430-G501 WeakPolarHBondContact O-CA 3.46Å; A430-E502 PolarHBondContact O-N 3.42Å; A430-M505 HydrophobicContact CB-CE 3.63Å
431	C	91.3	Very high	86.1	Confident	20 Å²	20	22.9 Å²	22.9	14%	0.135	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-130.6	154.7	-179.4	-161.2	0	0	0	0	113.1	N433 P445 V446 G447 N528	C431-N433 PolarHBondContact SG-N 2.92Å; C431-N433 VanDerWaalsContact SG-N 3.38Å; C431-P445 PolarHBondContact N-O 3.41Å; C431-V446 VanDerWaalsContact O-CA 3.22Å; C431-V446 WeakPolarHBondContact O-CA 3.4Å; C431-V446 WeakPolarHBondContact O-CB 3.45Å; C431-G447 CarbonylContact C-O 3.57Å; C431-G447 PolarHBondContact O-N 3.17Å; C431-N528 PolarHBondContact SG-ND2 3.42Å; C431-N528 VanDerWaalsContact SG-ND2 3.42Å
432	A	91.3	Very high	84.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-86.5	-15.1	169.2	0	0	0	0	0	113.9	G447 Q530 F531 L563 F564	A432-G447 WeakPolarHBondContact CA-O 3.36Å; A432-Q530 HydrophobicContact CB-CB 4.36Å; A432-F531 HydrophobicContact CB-CE2 3.61Å; A432-F531 HydrophobicContact CB-CZ 3.91Å; A432-L563 VanDerWaalsContact O-CB 3.29Å; A432-L563 WeakPolarHBondContact O-CB 3.32Å; A432-L563 WeakPolarHBondContact O-CG 3.48Å; A432-L563 PolarHBondContact O-N 3.32Å; A432-F564 HydrophobicContact CB-CD2 4.24Å; A432-F564 HydrophobicContact CB-CE2 3.8Å
433	N	89.8	Confident	82.5	Confident	7 Å²	7	27.2 Å²	27.2	4%	0.037	13%	0.133	C	C	.	.			trans	-112.9	158.9	-179.9	-67.2	10.2	0	0	0	111.6	C431 Q530 D560 P562	C431-N433 PolarHBondContact SG-N 2.92Å; C431-N433 VanDerWaalsContact SG-N 3.38Å; N433-Q530 VanDerWaalsContact OD1-CG 3.32Å; N433-Q530 WeakPolarHBondContact OD1-CG 3.14Å; N433-D560 WeakPolarHBondContact CB-O 3.25Å; N433-D560 PolarHBondContact ND2-OD2 2.85Å; N433-P562 WeakPolarHBondContact OD1-CA 3.3Å; N433-P562 WeakPolarHBondContact OD1-CB 3.39Å
434	K	86.4	Confident	81.3	Confident	73 Å²	73	28.3 Å²	28.3	32%	0.317	14%	0.14	S	C	.	.			trans	-128.4	45.8	-179.4	-69.7	175.1	175.1	167.6	0	111	V446 D560 R561 L563	K434-V446 HydrophobicContact CG-CG1 4.26Å; K434-D560 CarbonylContact C-O 3.52Å; K434-D560 PolarHBondContact N-O 3.38Å; K434-R561 HydrophobicContact CB-CB 3.97Å; K434-R561 PolarHBondContact N-O 3.07Å; K434-L563 HydrophobicContact CD-CD2 4.26Å
435	C	83.1	Confident	80.7	Confident	12 Å²	12	27.5 Å²	27.5	8%	0.081	14%	0.138	C	C	.	.			trans	-57.7	146.3	-164.9	-28.2	0	0	0	0	114.2	F437 C438 H441 I559 D560	C435-F437 VanDerWaalsContact C-N 3.25Å; C435-F437 HydrophobicContact CB-CD1 4.13Å; C435-F437 HydrophobicContact CB-CE1 3.62Å; C435-F437 HydrophobicContact CB-CE2 4.07Å; C435-F437 HydrophobicContact CB-CZ 3.58Å; C435-F437 PolarHBondContact O-N 2.64Å; C435-C438 HydrophobicContact CB-CB 4.08Å; C435-C438 WeakPolarHBondContact O-CB 3.34Å; C435-C438 PolarHBondContact O-N 3.22Å; C435-C438 VanDerWaalsContact O-N 3.14Å; C435-H441 PolarHBondContact O-CE1 3.32Å; C435-H441 PolarHBondContact O-ND1 3.07Å; C435-H441 VanDerWaalsContact O-ND1 3.08Å; C435-I559 CarbonylContact C-O 3.57Å; C435-I559 WeakPolarHBondContact CA-O 3.29Å; C435-D560 WeakPolarHBondContact CA-O 3.28Å; C435-D560 PolarHBondContact N-O 3.2Å; C435-D560 VanDerWaalsContact N-O 3.13Å; C435-D560 PolarHBondContact SG-OD1 3.35Å; C435-D560 VanDerWaalsContact SG-OD1 3.39Å; C435-D560 PolarHBondContact SG-OD2 3.23Å
436	V	77.4	Confident	80.2	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.03	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.6	-175.9	-61	0	0	0	0	115.1	H441 K558 I559 R561 W595 S629	V436-H441 PolarHBondContact O-CE1 3.09Å; V436-K558 WeakPolarHBondContact CG1-O 3.39Å; V436-I559 HydrophobicContact CG2-CB 4.41Å; V436-I559 HydrophobicContact CG2-CG2 4.13Å; V436-I559 PolarHBondContact N-O 2.91Å; V436-R561 VanDerWaalsContact CG1-CZ 3.44Å; V436-W595 HydrophobicContact CG2-CH2 4.42Å; V436-W595 HydrophobicContact CG2-CZ3 4.25Å; V436-S629 WeakPolarHBondContact O-CB 3.42Å; V436-S629 PolarHBondContact O-OG 3.39Å
437	F	73.8	Confident	79.7	Confident	51 Å²	51	29.6 Å²	29.6	22%	0.224	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-7.8	173.1	58.6	-96.6	0	0	0	113.1	C435 W439 D549 I559 D560 L631	C435-F437 VanDerWaalsContact C-N 3.25Å; C435-F437 HydrophobicContact CB-CD1 4.13Å; C435-F437 HydrophobicContact CB-CE1 3.62Å; C435-F437 HydrophobicContact CB-CE2 4.07Å; C435-F437 HydrophobicContact CB-CZ 3.58Å; C435-F437 PolarHBondContact O-N 2.64Å; F437-W439 PolarHBondContact O-N 3.39Å; F437-D549 HydrophobicContact CE1-CB 3.72Å; F437-D549 HydrophobicContact CZ-CB 3.82Å; F437-D549 WeakPolarHBondContact CZ-OD2 3.46Å; F437-I559 HydrophobicContact CD1-CG2 3.98Å; F437-I559 HydrophobicContact CE1-CG2 3.67Å; F437-D560 WeakPolarHBondContact CE1-OD1 3.14Å; F437-L631 HydrophobicContact CB-CD1 3.92Å
438	C	74.8	Confident	79.4	Confident	45 Å²	45	32.1 Å²	32.1	30%	0.304	17%	0.167	S	C	.	.			trans	-75.4	91.2	-179	-171.6	0	0	0	0	110.3	C435 R440 H441	C435-C438 HydrophobicContact CB-CB 4.08Å; C435-C438 WeakPolarHBondContact O-CB 3.34Å; C435-C438 PolarHBondContact O-N 3.22Å; C435-C438 VanDerWaalsContact O-N 3.14Å; C438-R440 PolarHBondContact O-N 2.95Å; C438-H441 PolarHBondContact N-CE1 3.14Å; C438-H441 PolarHBondContact O-CE1 3.44Å; C438-H441 PolarHBondContact O-N 3.14Å; C438-H441 PolarHBondContact O-ND1 3.11Å; C438-H441 PolarHBondContact O-NE2 3.11Å
439	W	63.7	Low	79.2	Confident	114 Å²	114	37.9 Å²	37.9	43%	0.432	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.9	8.6	-172.9	73.9	-76.7	0	0	0	120.1	Q382 Y384 F437 C623	Q382-W439 VanDerWaalsContact OE1-CZ3 3.3Å; Y384-W439 HydrophobicContact CE2-CH2 4.19Å; Y384-W439 HydrophobicContact CE2-CZ2 4.35Å; F437-W439 PolarHBondContact O-N 3.39Å; W439-C623 HydrophobicContact CB-CB 4.19Å
440	R	59.5	Low	79.3	Confident	8 Å²	8	40.1 Å²	40.1	3%	0.03	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	22.2	-177.5	-62.7	-176.1	149.6	-148.3	-20.6	112.5	Y384 C438 H442 T443 N444	Y384-R440 VanDerWaalsContact CD2-NH2 3.33Å; Y384-R440 VanDerWaalsContact OH-CZ 3.25Å; Y384-R440 PolarHBondContact OH-NH1 2.93Å; C438-R440 PolarHBondContact O-N 2.95Å; R440-H442 PolarHBondContact O-N 3.33Å; R440-T443 PolarHBondContact O-N 2.88Å; R440-T443 VanDerWaalsContact O-N 3.12Å; R440-T443 PolarHBondContact O-OG1 3.46Å; R440-N444 WeakPolarHBondContact CB-ND2 3.33Å; R440-N444 PolarHBondContact O-N 3.24Å
441	H	53	Low	79.3	Confident	40 Å²	40	45.5 Å²	45.5	19%	0.185	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	137.8	178.5	-45.3	-73.5	0	0	0	111.2	C435 V436 C438 T443 A628	C435-H441 PolarHBondContact O-CE1 3.32Å; C435-H441 PolarHBondContact O-ND1 3.07Å; C435-H441 VanDerWaalsContact O-ND1 3.08Å; V436-H441 PolarHBondContact O-CE1 3.09Å; C438-H441 PolarHBondContact N-CE1 3.14Å; C438-H441 PolarHBondContact O-CE1 3.44Å; C438-H441 PolarHBondContact O-N 3.14Å; C438-H441 PolarHBondContact O-ND1 3.11Å; C438-H441 PolarHBondContact O-NE2 3.11Å; H441-T443 PolarHBondContact O-N 2.81Å; H441-A628 HydrophobicContact CB-CB 4.3Å
442	H	56	Low	79.4	Confident	78 Å²	78	45 Å²	45	36%	0.361	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-21	179.8	-49.9	-104.8	0	0	0	117	F182 R183 R440 A628	F182-H442 WeakPolarHBondContact CZ-O 3.44Å; R183-H442 VanDerWaalsContact CZ-ND1 3.25Å; R183-H442 PolarHBondContact NH1-ND1 3.18Å; R183-H442 PolarHBondContact NH2-CE1 3.42Å; R183-H442 PolarHBondContact NH2-ND1 3.44Å; R440-H442 PolarHBondContact O-N 3.33Å; H442-A628 VanDerWaalsContact NE2-CB 3.28Å; H442-A628 WeakPolarHBondContact NE2-CB 3.27Å
443	T	64.3	Low	79.6	Confident	77 Å²	77	49.9 Å²	49.9	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-35.7	-176.3	63.4	0	0	0	0	114.8	L375 R440 H441	L375-T443 WeakPolarHBondContact CD1-O 3.41Å; R440-T443 PolarHBondContact O-N 2.88Å; R440-T443 VanDerWaalsContact O-N 3.12Å; R440-T443 PolarHBondContact O-OG1 3.46Å; H441-T443 PolarHBondContact O-N 2.81Å
444	N	73.1	Confident	79.8	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.128	25%	0.251	C	S	.	.	S	Bend	trans	-68.2	144.1	178.6	-73.7	-21.4	0	0	0	111.4	R440 V500	R440-N444 WeakPolarHBondContact CB-ND2 3.33Å; R440-N444 PolarHBondContact O-N 3.24Å; N444-V500 WeakPolarHBondContact ND2-CG2 3.49Å
445	P	84.6	Confident	80.4	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.156	24%	0.24	C	C	.	.			trans	-58.7	153.3	164.9	-22.6	36.2	0	0	0	111.1	M370 L375 A430 C431 W452	M370-P445 HydrophobicContact CG-CB 3.95Å; M370-P445 HydrophobicContact CG-CG 3.74Å; M370-P445 WeakPolarHBondContact O-CG 3.43Å; L375-P445 HydrophobicContact CD2-CG 3.77Å; A430-P445 VanDerWaalsContact CA-O 3.3Å; A430-P445 WeakPolarHBondContact CA-O 3.37Å; A430-P445 HydrophobicContact CB-CB 4.09Å; C431-P445 PolarHBondContact N-O 3.41Å; P445-W452 HydrophobicContact CB-CZ2 4.21Å
446	V	87.4	Confident	81.1	Confident	39 Å²	39	52.4 Å²	52.4	24%	0.236	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-136	153.7	176.7	-64.2	0	0	0	0	111.6	C431 K434 R451 L563	C431-V446 VanDerWaalsContact O-CA 3.22Å; C431-V446 WeakPolarHBondContact O-CA 3.4Å; C431-V446 WeakPolarHBondContact O-CB 3.45Å; K434-V446 HydrophobicContact CG-CG1 4.26Å; V446-R451 PolarHBondContact O-NH2 3.39Å; V446-L563 HydrophobicContact CB-CD1 3.78Å; V446-L563 HydrophobicContact CG2-CD1 4.01Å
447	G	87.3	Confident	82.1	Confident	4 Å²	4	52.2 Å²	52.2	4%	0.041	26%	0.256	C	S	.	.			trans	-177.9	158.6	178.2	0	0	0	0	0	112	C431 A432	C431-G447 CarbonylContact C-O 3.57Å; C431-G447 PolarHBondContact O-N 3.17Å; A432-G447 WeakPolarHBondContact CA-O 3.36Å
448	T	90.8	Very high	83.2	Confident	54 Å²	54	54.2 Å²	54.2	33%	0.331	27%	0.267	S	S	.	.	S	Bend	trans	-98.5	-2.7	172.9	47.6	0	0	0	0	112.3	L563 F564	T448-L563 HydrophobicContact CG2-CB 3.91Å; T448-F564 HydrophobicContact CG2-CD1 4Å; T448-F564 HydrophobicContact CG2-CD2 4.05Å; T448-F564 HydrophobicContact CG2-CE1 3.81Å; T448-F564 HydrophobicContact CG2-CE2 3.87Å; T448-F564 HydrophobicContact CG2-CG 4.12Å; T448-F564 HydrophobicContact CG2-CZ 3.75Å; T448-F564 WeakPolarHBondContact O-CZ 3.17Å
449	E	91.5	Very high	84.3	Confident	120 Å²	120	55.6 Å²	55.6	56%	0.561	27%	0.267	S	S	*	.	S	Bend	trans	-156.5	162.1	-172.1	67.1	-172.3	177.3	0	0	110	W452	E449-W452 WeakPolarHBondContact O-CZ3 3.15Å
450	W	94	Very high	86	Confident	48 Å²	48	50.2 Å²	50.2	18%	0.182	25%	0.247	C	C	.	.			trans	-80.8	122.9	174.7	-166.9	-89.1	0	0	0	112.2	M370 H390 W452 M454 M505 Y506 P507	M370-W450 HydrophobicContact CE-CE3 4.33Å; M370-W450 HydrophobicContact CE-CH2 3.56Å; M370-W450 HydrophobicContact CE-CZ2 4.21Å; M370-W450 HydrophobicContact CE-CZ3 3.63Å; H390-W450 HydrophobicContact CB-CH2 4.01Å; H390-W450 HydrophobicContact CB-CZ2 4.32Å; H390-W450 AromaticContact CD2-CH2 3.87Å; H390-W450 AromaticContact CD2-CZ2 3.63Å; H390-W450 AromaticContact CE1-CH2 3.69Å; H390-W450 AromaticContact CE1-CZ2 3.98Å; H390-W450 AromaticContact CG-CH2 3.6Å; H390-W450 AromaticContact CG-CZ2 3.83Å; H390-W450 AromaticContact ND1-CH2 3.52Å; H390-W450 AromaticContact NE2-CH2 3.91Å; H390-W450 AromaticContact NE2-CZ2 3.72Å; W450-W452 HydrophobicContact CD2-CE3 4.36Å; W450-W452 HydrophobicContact CE3-CE3 4.47Å; W450-W452 PolarHBondContact NE1-O 2.67Å; W450-M454 HydrophobicContact CZ2-CB 4.45Å; W450-M454 HydrophobicContact CZ2-CG 4.17Å; W450-M505 HydrophobicContact CE3-CE 4.27Å; W450-Y506 AromaticContact CH2-CD2 3.87Å; W450-Y506 HydrophobicContact CH2-CD2 3.87Å; W450-Y506 HydrophobicContact CZ2-CD2 4.37Å; W450-Y506 HydrophobicContact CZ3-CD2 4.06Å; W450-P507 HydrophobicContact CB-CG 3.88Å; W450-P507 HydrophobicContact CD2-CG 4Å; W450-P507 HydrophobicContact CG-CG 3.68Å
451	R	92.4	Very high	87.9	Confident	113 Å²	113	49.9 Å²	49.9	43%	0.426	25%	0.246	S	C	.	.			trans	-145.5	28.9	-173	61.7	175.3	-179	178.8	-5.8	114.3	V446	V446-R451 PolarHBondContact O-NH2 3.39Å
452	W	94.1	Very high	90	Very high	9 Å²	9	54 Å²	54	3%	0.034	27%	0.265	C	S	.	.	S	Bend	trans	-125.7	166.2	-176.3	-63.6	-86.3	0	0	0	110.5	R368 M370 A430 P445 E449 W450 M505	R368-W452 WeakPolarHBondContact O-CA 3.22Å; M370-W452 HydrophobicContact CB-CB 4.14Å; M370-W452 HydrophobicContact CB-CD2 4.23Å; M370-W452 HydrophobicContact CB-CG 3.74Å; M370-W452 HydrophobicContact CE-CD2 3.7Å; M370-W452 HydrophobicContact CE-CE3 3.5Å; M370-W452 HydrophobicContact CE-CG 4.16Å; M370-W452 HydrophobicContact CE-CZ3 3.97Å; M370-W452 HydrophobicContact CG-CD2 4.29Å; M370-W452 HydrophobicContact CG-CG 4.31Å; A430-W452 HydrophobicContact CB-CH2 3.56Å; A430-W452 HydrophobicContact CB-CZ2 4.08Å; A430-W452 HydrophobicContact CB-CZ3 3.89Å; P445-W452 HydrophobicContact CB-CZ2 4.21Å; E449-W452 WeakPolarHBondContact O-CZ3 3.15Å; W450-W452 HydrophobicContact CD2-CE3 4.36Å; W450-W452 HydrophobicContact CE3-CE3 4.47Å; W450-W452 PolarHBondContact NE1-O 2.67Å; W452-M505 HydrophobicContact CH2-CE 4.38Å; W452-M505 HydrophobicContact CZ3-CE 3.8Å
453	K	94.4	Very high	92	Very high	103 Å²	103	51.8 Å²	51.8	45%	0.448	26%	0.256	S	S	.	.			trans	-52	142.3	161.8	-172.3	166.1	-175.1	168.1	0	109.6	R368 S389 H390	R368-K453 PolarHBondContact O-N 2.92Å; S389-K453 PolarHBondContact OG-O 3.05Å; H390-K453 PolarHBondContact CD2-O 2.79Å
454	M	95.3	Very high	93.7	Very high	60 Å²	60	48.1 Å²	48.1	30%	0.296	23%	0.233	S	C	.	.			trans	-115.3	133.4	-179.2	-160.8	174	75.5	0	0	110.1	W450 Y506 P507 E508	W450-M454 HydrophobicContact CZ2-CB 4.45Å; W450-M454 HydrophobicContact CZ2-CG 4.17Å; M454-Y506 HydrophobicContact CG-CE2 3.8Å; M454-Y506 HydrophobicContact SD-CE2 4.13Å; M454-P507 HydrophobicContact SD-CB 3.87Å; M454-P507 HydrophobicContact SD-CG 3.8Å; M454-E508 HydrophobicContact CE-CG 3.89Å; M454-E508 VanDerWaalsContact CE-OE1 3.27Å; M454-E508 WeakPolarHBondContact CE-OE1 3.49Å; M454-E508 HydrophobicContact SD-CG 4.41Å
455	D	97.3	Very high	94.9	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	24%	0.236	C	C	.	.			trans	-92.4	140.4	164.3	-74.1	-107.8	0	0	0	108.2	G388 S389 H390 K459 I460 Y506	G388-D455 VanDerWaalsContact CA-OD1 3.3Å; G388-D455 WeakPolarHBondContact CA-OD1 3.28Å; S389-D455 WeakPolarHBondContact CB-OD2 3.37Å; S389-D455 PolarHBondContact N-OD2 3.12Å; S389-D455 PolarHBondContact OG-OD2 3.46Å; H390-D455 PolarHBondContact CD2-N 2.95Å; H390-D455 IonicContact CD2-OD2 2.64Å; H390-D455 PolarHBondContact NE2-N 3.36Å; D455-K459 IonicContact OD1-NZ 3.74Å; D455-K459 PolarHBondContact OD1-NZ 2.86Å; D455-I460 HydrophobicContact CB-CD1 4.14Å; D455-I460 HydrophobicContact CB-CG1 3.92Å; D455-I460 WeakPolarHBondContact O-CD1 3.39Å; D455-Y506 PolarHBondContact O-OH 3.49Å
456	P	98.2	Very high	95.5	Very high	69 Å²	69	51.6 Å²	51.6	45%	0.448	25%	0.248	S	C	.	.			trans	-66.6	149.8	176.8	-22.7	34.2	0	0	0	113.5	E458 K459 I460	P456-E458 VanDerWaalsContact C-N 3.33Å; P456-E458 PolarHBondContact O-N 2.98Å; P456-K459 WeakPolarHBondContact O-CB 3.43Å; P456-K459 PolarHBondContact O-N 3.12Å; P456-K459 VanDerWaalsContact O-N 3.13Å; P456-I460 WeakPolarHBondContact O-CG1 3.25Å; P456-I460 PolarHBondContact O-N 2.99Å; P456-I460 VanDerWaalsContact O-N 3.12Å
457	A	98.3	Very high	96	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-43.1	-174.7	0	0	0	0	0	113.3	K459 I460 L461 Y506 E508 T511 F512 L515	A457-K459 PolarHBondContact O-N 3.48Å; A457-I460 PolarHBondContact O-N 3.06Å; A457-L461 PolarHBondContact O-N 2.73Å; A457-Y506 WeakPolarHBondContact CA-OH 3.47Å; A457-Y506 HydrophobicContact CB-CE1 4.27Å; A457-Y506 PolarHBondContact N-OH 2.63Å; A457-E508 HydrophobicContact CB-CB 4.04Å; A457-E508 WeakPolarHBondContact CB-OE2 3.49Å; A457-E508 PolarHBondContact N-OE2 2.98Å; A457-T511 HydrophobicContact CB-CG2 4.07Å; A457-F512 HydrophobicContact CB-CB 4Å; A457-F512 HydrophobicContact CB-CD2 4.18Å; A457-L515 HydrophobicContact CB-CD1 4.02Å
458	E	98.2	Very high	96.5	Very high	94 Å²	94	51.5 Å²	51.5	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-54.7	-51.1	176.2	178.9	57	-150.7	0	0	111.7	P456 I460 L461 Q462 L515	P456-E458 VanDerWaalsContact C-N 3.33Å; P456-E458 PolarHBondContact O-N 2.98Å; E458-I460 VanDerWaalsContact C-N 3.31Å; E458-I460 PolarHBondContact O-N 2.96Å; E458-L461 PolarHBondContact O-N 3.01Å; E458-L461 VanDerWaalsContact O-N 3.17Å; E458-Q462 WeakPolarHBondContact O-CB 3.37Å; E458-Q462 PolarHBondContact O-N 3.5Å; E458-L515 HydrophobicContact CB-CD1 4.21Å; E458-L515 WeakPolarHBondContact OE2-CD2 3.39Å
459	K	98	Very high	96.9	Very high	74 Å²	74	51.9 Å²	51.9	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-41.9	178.6	-177.9	-177.1	172.8	-66	0	111	D455 P456 A457 L461 D463	D455-K459 IonicContact OD1-NZ 3.74Å; D455-K459 PolarHBondContact OD1-NZ 2.86Å; P456-K459 WeakPolarHBondContact O-CB 3.43Å; P456-K459 PolarHBondContact O-N 3.12Å; P456-K459 VanDerWaalsContact O-N 3.13Å; A457-K459 PolarHBondContact O-N 3.48Å; K459-L461 VanDerWaalsContact C-N 3.32Å; K459-L461 PolarHBondContact O-N 2.97Å; K459-D463 IonicContact NZ-OD2 3.99Å; K459-D463 PolarHBondContact NZ-OD2 3.27Å; K459-D463 WeakPolarHBondContact O-CB 3.34Å; K459-D463 PolarHBondContact O-N 3.35Å
460	I	98.4	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-38.2	179.1	-60.8	165.7	0	0	0	111	I387 H390 S391 D455 P456 A457 E458 S464 Y506 F512	I387-I460 HydrophobicContact CG2-CB 4.43Å; I387-I460 HydrophobicContact CG2-CG1 4.39Å; I387-I460 HydrophobicContact CG2-CG2 4.25Å; H390-I460 VanDerWaalsContact CE1-CD1 3.47Å; H390-I460 WeakPolarHBondContact CE1-CD1 3.4Å; S391-I460 WeakPolarHBondContact OG-CD1 3.21Å; D455-I460 HydrophobicContact CB-CD1 4.14Å; D455-I460 HydrophobicContact CB-CG1 3.92Å; D455-I460 WeakPolarHBondContact O-CD1 3.39Å; P456-I460 WeakPolarHBondContact O-CG1 3.25Å; P456-I460 PolarHBondContact O-N 2.99Å; P456-I460 VanDerWaalsContact O-N 3.12Å; A457-I460 PolarHBondContact O-N 3.06Å; E458-I460 VanDerWaalsContact C-N 3.31Å; E458-I460 PolarHBondContact O-N 2.96Å; I460-S464 VanDerWaalsContact O-CB 3.22Å; I460-S464 WeakPolarHBondContact O-CB 3.22Å; I460-S464 PolarHBondContact O-N 3.41Å; I460-S464 PolarHBondContact O-OG 3.36Å; I460-Y506 HydrophobicContact CD1-CE1 4.15Å; I460-Y506 HydrophobicContact CD1-CE2 3.91Å; I460-Y506 VanDerWaalsContact CD1-OH 3.27Å; I460-Y506 WeakPolarHBondContact CD1-OH 3.36Å; I460-F512 HydrophobicContact CB-CD2 4.35Å; I460-F512 HydrophobicContact CB-CE2 3.93Å; I460-F512 HydrophobicContact CG2-CD2 4.37Å; I460-F512 HydrophobicContact CG2-CE2 3.67Å; I460-F512 HydrophobicContact CG2-CZ 4.39Å
461	L	98.5	Very high	97.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-48.5	178.8	-180	57.3	0	0	0	111.1	M423 A457 E458 K459 D463 S464 L465 F512 L515 L516	M423-L461 HydrophobicContact CE-CD1 4.11Å; A457-L461 PolarHBondContact O-N 2.73Å; E458-L461 PolarHBondContact O-N 3.01Å; E458-L461 VanDerWaalsContact O-N 3.17Å; K459-L461 VanDerWaalsContact C-N 3.32Å; K459-L461 PolarHBondContact O-N 2.97Å; L461-D463 PolarHBondContact O-N 3.28Å; L461-S464 WeakPolarHBondContact O-CB 3.27Å; L461-S464 PolarHBondContact O-N 2.83Å; L461-S464 VanDerWaalsContact O-N 3.11Å; L461-L465 HydrophobicContact CD1-CD1 3.89Å; L461-L465 HydrophobicContact CD1-CG 4Å; L461-L465 HydrophobicContact CG-CD1 3.94Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CG 3.37Å; L461-L465 PolarHBondContact O-N 3.33Å; L461-F512 HydrophobicContact CB-CD2 4.48Å; L461-F512 HydrophobicContact CB-CE2 3.84Å; L461-F512 HydrophobicContact CB-CZ 4.34Å; L461-F512 HydrophobicContact CD1-CZ 4.22Å; L461-L515 HydrophobicContact CD2-CB 3.65Å; L461-L516 HydrophobicContact CD1-CD2 3.61Å; L461-L516 HydrophobicContact CD1-CG 4.47Å
462	Q	98.4	Very high	97.4	Very high	127 Å²	127	41.6 Å²	41.6	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-57.5	-50.2	176.6	-169.4	-176	35.8	0	0	111.4	E458 S464 L465 E466	E458-Q462 WeakPolarHBondContact O-CB 3.37Å; E458-Q462 PolarHBondContact O-N 3.5Å; Q462-S464 VanDerWaalsContact C-N 3.29Å; Q462-S464 PolarHBondContact O-N 2.79Å; Q462-L465 PolarHBondContact O-N 2.85Å; Q462-E466 VanDerWaalsContact O-CB 3.29Å; Q462-E466 WeakPolarHBondContact O-CB 3.43Å; Q462-E466 PolarHBondContact O-N 3.3Å
463	D	98.4	Very high	97.5	Very high	31 Å²	31	46.3 Å²	46.3	17%	0.166	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-37.3	175	-91.8	-38.7	0	0	0	111.8	I387 K459 L461 K467	I387-D463 HydrophobicContact CB-CB 4.27Å; I387-D463 HydrophobicContact CD1-CB 4.14Å; I387-D463 HydrophobicContact CG1-CB 3.98Å; I387-D463 HydrophobicContact CG2-CB 3.47Å; I387-D463 VanDerWaalsContact CG2-CB 3.47Å; K459-D463 IonicContact NZ-OD2 3.99Å; K459-D463 PolarHBondContact NZ-OD2 3.27Å; K459-D463 WeakPolarHBondContact O-CB 3.34Å; K459-D463 PolarHBondContact O-N 3.35Å; L461-D463 PolarHBondContact O-N 3.28Å; D463-K467 VanDerWaalsContact O-CB 3.26Å; D463-K467 WeakPolarHBondContact O-CB 3.13Å; D463-K467 WeakPolarHBondContact O-CE 3.37Å; D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.45Å; D463-K467 PolarHBondContact O-N 2.72Å; D463-K467 VanDerWaalsContact O-N 3.15Å; D463-K467 WeakPolarHBondContact OD1-CE 3.21Å; D463-K467 IonicContact OD1-NZ 3.36Å; D463-K467 PolarHBondContact OD1-NZ 3.39Å
464	S	98.3	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-48.8	179	-65.5	0	0	0	0	111.6	I387 M423 T425 I460 L461 Q462 K467 H468	I387-S464 WeakPolarHBondContact CD1-OG 3.09Å; M423-S464 VanDerWaalsContact SD-C 3.57Å; T425-S464 PolarHBondContact OG1-OG 3.14Å; I460-S464 VanDerWaalsContact O-CB 3.22Å; I460-S464 WeakPolarHBondContact O-CB 3.22Å; I460-S464 PolarHBondContact O-N 3.41Å; I460-S464 PolarHBondContact O-OG 3.36Å; L461-S464 WeakPolarHBondContact O-CB 3.27Å; L461-S464 PolarHBondContact O-N 2.83Å; L461-S464 VanDerWaalsContact O-N 3.11Å; Q462-S464 VanDerWaalsContact C-N 3.29Å; Q462-S464 PolarHBondContact O-N 2.79Å; S464-K467 PolarHBondContact O-N 3.49Å; S464-H468 VanDerWaalsContact O-CB 3.23Å; S464-H468 WeakPolarHBondContact O-CB 3.29Å; S464-H468 PolarHBondContact O-N 3.4Å
465	L	98.4	Very high	97	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-47.5	-178.9	-71.1	169.8	0	0	0	111.3	M423 L461 Q462 K467 H468 Q469 A492 I521	M423-L465 HydrophobicContact CE-CD2 3.95Å; M423-L465 HydrophobicContact CE-CG 4.33Å; M423-L465 HydrophobicContact SD-CD2 3.89Å; M423-L465 HydrophobicContact SD-CG 4.29Å; L461-L465 HydrophobicContact CD1-CD1 3.89Å; L461-L465 HydrophobicContact CD1-CG 4Å; L461-L465 HydrophobicContact CG-CD1 3.94Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CG 3.37Å; L461-L465 PolarHBondContact O-N 3.33Å; Q462-L465 PolarHBondContact O-N 2.85Å; L465-K467 PolarHBondContact O-N 3.26Å; L465-H468 PolarHBondContact O-N 2.98Å; L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 WeakPolarHBondContact O-CG 3.49Å; L465-Q469 PolarHBondContact O-N 3.12Å; L465-A492 HydrophobicContact CD2-CB 4.31Å; L465-I521 HydrophobicContact CD1-CD1 4.36Å; L465-I521 HydrophobicContact CD2-CD1 3.77Å
466	E	98.3	Very high	96.6	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-44.6	179	-172.7	-100.2	148.9	0	0	111.3	Q462 N470	Q462-E466 VanDerWaalsContact O-CB 3.29Å; Q462-E466 WeakPolarHBondContact O-CB 3.43Å; Q462-E466 PolarHBondContact O-N 3.3Å; E466-N470 WeakPolarHBondContact O-CB 3.18Å; E466-N470 PolarHBondContact O-N 2.97Å; E466-N470 PolarHBondContact O-ND2 3.05Å; E466-N470 PolarHBondContact OE1-ND2 2.8Å
467	K	98.3	Very high	95.8	Very high	40 Å²	40	53.2 Å²	53.2	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-76.1	-29.4	179.7	-68.2	171.8	-119.7	-51.3	0	113.1	K385 I387 V393 D463 S464 L465 M471	K385-K467 HydrophobicContact CB-CB 3.89Å; K385-K467 HydrophobicContact CB-CD 4.2Å; K385-K467 HydrophobicContact CB-CG 4.41Å; K385-K467 HydrophobicContact CG-CB 4.38Å; I387-K467 HydrophobicContact CG1-CD 4.29Å; V393-K467 HydrophobicContact CG1-CB 3.76Å; D463-K467 VanDerWaalsContact O-CB 3.26Å; D463-K467 WeakPolarHBondContact O-CB 3.13Å; D463-K467 WeakPolarHBondContact O-CE 3.37Å; D463-K467 VanDerWaalsContact O-CG 3.29Å; D463-K467 WeakPolarHBondContact O-CG 3.45Å; D463-K467 PolarHBondContact O-N 2.72Å; D463-K467 VanDerWaalsContact O-N 3.15Å; D463-K467 WeakPolarHBondContact OD1-CE 3.21Å; D463-K467 IonicContact OD1-NZ 3.36Å; D463-K467 PolarHBondContact OD1-NZ 3.39Å; S464-K467 PolarHBondContact O-N 3.49Å; L465-K467 PolarHBondContact O-N 3.26Å; K467-M471 WeakPolarHBondContact O-CG 3.36Å; K467-M471 PolarHBondContact O-N 2.92Å; K467-M471 VanDerWaalsContact O-N 3.14Å
468	H	97.9	Very high	94.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-50.9	169.7	-174.2	83.8	0	0	0	111.1	V393 C422 M423 S464 L465 N470 M471 I472	V393-H468 HydrophobicContact CG2-CB 4.27Å; C422-H468 PolarHBondContact O-CE1 2.98Å; C422-H468 VanDerWaalsContact O-CE1 3.3Å; M423-H468 HydrophobicContact CG-CB 4.03Å; M423-H468 HydrophobicContact SD-CB 3.99Å; S464-H468 VanDerWaalsContact O-CB 3.23Å; S464-H468 WeakPolarHBondContact O-CB 3.29Å; S464-H468 PolarHBondContact O-N 3.4Å; L465-H468 PolarHBondContact O-N 2.98Å; H468-N470 VanDerWaalsContact C-N 3.3Å; H468-N470 PolarHBondContact O-N 3.16Å; H468-M471 WeakPolarHBondContact O-CA 3.44Å; H468-M471 WeakPolarHBondContact O-CB 3.46Å; H468-M471 PolarHBondContact O-N 3.2Å; H468-I472 PolarHBondContact O-N 3.12Å
469	Q	97.6	Very high	94	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.29	28%	0.28	S	S	.	.	H	α-helix	trans	-56.3	-43.3	175.3	-75.6	-175.9	-6.5	0	0	112.1	L465 M471 I472 R473 L490	L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 WeakPolarHBondContact O-CG 3.49Å; L465-Q469 PolarHBondContact O-N 3.12Å; Q469-M471 VanDerWaalsContact C-N 3.28Å; Q469-M471 PolarHBondContact O-N 3.41Å; Q469-I472 PolarHBondContact O-N 2.8Å; Q469-I472 VanDerWaalsContact O-N 3.1Å; Q469-R473 VanDerWaalsContact O-CG 3.29Å; Q469-R473 WeakPolarHBondContact O-CG 3.5Å; Q469-R473 PolarHBondContact O-N 2.88Å; Q469-L490 WeakPolarHBondContact CG-O 3.49Å; Q469-L490 PolarHBondContact NE2-O 3.32Å
470	N	97.4	Very high	93.3	Very high	56 Å²	56	54.1 Å²	54.1	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-30.1	176.2	-73.2	-24.5	0	0	0	113.1	E466 H468 R473 Q474	E466-N470 WeakPolarHBondContact O-CB 3.18Å; E466-N470 PolarHBondContact O-N 2.97Å; E466-N470 PolarHBondContact O-ND2 3.05Å; E466-N470 PolarHBondContact OE1-ND2 2.8Å; H468-N470 VanDerWaalsContact C-N 3.3Å; H468-N470 PolarHBondContact O-N 3.16Å; N470-R473 PolarHBondContact OD1-NH1 2.57Å; N470-Q474 WeakPolarHBondContact O-CG 3.28Å
471	M	96.4	Very high	92.8	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-73.5	-32.3	170	-74	-173.5	-65.7	0	0	113	K385 V393 L395 K467 H468 Q469 F475	K385-M471 HydrophobicContact CD-SD 4.36Å; K385-M471 HydrophobicContact CG-CE 3.9Å; K385-M471 HydrophobicContact CG-CG 4.06Å; K385-M471 HydrophobicContact CG-SD 3.54Å; K385-M471 VanDerWaalsContact CG-SD 3.54Å; V393-M471 HydrophobicContact CG1-CE 4.13Å; V393-M471 HydrophobicContact CG2-CE 4.38Å; L395-M471 HydrophobicContact CB-CB 4.43Å; L395-M471 HydrophobicContact CB-CE 4.32Å; L395-M471 HydrophobicContact CB-SD 4Å; L395-M471 HydrophobicContact CD1-CB 4.29Å; L395-M471 HydrophobicContact CD2-CB 4.43Å; K467-M471 WeakPolarHBondContact O-CG 3.36Å; K467-M471 PolarHBondContact O-N 2.92Å; K467-M471 VanDerWaalsContact O-N 3.14Å; H468-M471 WeakPolarHBondContact O-CA 3.44Å; H468-M471 WeakPolarHBondContact O-CB 3.46Å; H468-M471 PolarHBondContact O-N 3.2Å; Q469-M471 VanDerWaalsContact C-N 3.28Å; Q469-M471 PolarHBondContact O-N 3.41Å; M471-F475 VanDerWaalsContact O-CD2 3.27Å; M471-F475 WeakPolarHBondContact O-CD2 3.45Å; M471-F475 WeakPolarHBondContact O-CE2 3.37Å
472	I	95.3	Very high	92.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-42.7	173.9	-62.2	-73.5	0	0	0	110.9	L395 T399 L403 H468 Q469 Q474 F475 Y486 L490	L395-I472 HydrophobicContact CD1-CD1 3.81Å; L395-I472 HydrophobicContact CD1-CG1 4.36Å; T399-I472 HydrophobicContact CG2-CD1 3.77Å; L403-I472 HydrophobicContact CD1-CD1 4.01Å; H468-I472 PolarHBondContact O-N 3.12Å; Q469-I472 PolarHBondContact O-N 2.8Å; Q469-I472 VanDerWaalsContact O-N 3.1Å; I472-Q474 PolarHBondContact O-N 2.78Å; I472-Q474 VanDerWaalsContact O-N 3.08Å; I472-F475 WeakPolarHBondContact O-CB 3.27Å; I472-F475 PolarHBondContact O-N 3.23Å; I472-Y486 HydrophobicContact CG2-CD2 4.45Å; I472-Y486 HydrophobicContact CG2-CE2 4.41Å; I472-Y486 WeakPolarHBondContact O-CE2 3.23Å; I472-L490 HydrophobicContact CB-CD2 4.14Å; I472-L490 HydrophobicContact CG2-CD2 3.73Å; I472-L490 HydrophobicContact CG2-CG 4.21Å
473	R	96.4	Very high	92.4	Very high	108 Å²	108	56.3 Å²	56.3	41%	0.408	31%	0.31	S	S	.	.	H	α-helix	trans	-53.5	-31.2	176.5	-73.5	169.7	-175.7	132.5	9.7	112.7	Q469 N470 F475 R476 L490	Q469-R473 VanDerWaalsContact O-CG 3.29Å; Q469-R473 WeakPolarHBondContact O-CG 3.5Å; Q469-R473 PolarHBondContact O-N 2.88Å; N470-R473 PolarHBondContact OD1-NH1 2.57Å; R473-F475 PolarHBondContact O-N 2.86Å; R473-R476 WeakPolarHBondContact O-CB 3.09Å; R473-R476 PolarHBondContact O-N 3.35Å; R473-R476 VanDerWaalsContact O-N 3.16Å; R473-L490 HydrophobicContact CG-CD2 3.76Å
474	Q	91.6	Very high	92.3	Very high	131 Å²	131	59.6 Å²	59.6	61%	0.612	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.3	175	-70.1	169.8	-0.9	0	0	114.6	N470 I472	N470-Q474 WeakPolarHBondContact O-CG 3.28Å; I472-Q474 PolarHBondContact O-N 2.78Å; I472-Q474 VanDerWaalsContact O-N 3.08Å
475	F	86.6	Confident	92.2	Very high	22 Å²	22	60.8 Å²	60.8	10%	0.096	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.5	173.3	-71.8	-94.1	0	0	0	113.6	L395 K400 L403 M471 I472 R473 G477 V478 V481 Y486	L395-F475 HydrophobicContact CD2-CD2 4.19Å; L395-F475 HydrophobicContact CD2-CE2 3.33Å; L395-F475 HydrophobicContact CD2-CZ 3.86Å; K400-F475 HydrophobicContact CB-CE1 4.36Å; K400-F475 HydrophobicContact CB-CZ 4.44Å; K400-F475 HydrophobicContact CD-CE1 4.42Å; K400-F475 HydrophobicContact CD-CZ 3.92Å; K400-F475 HydrophobicContact CG-CE1 4.14Å; K400-F475 HydrophobicContact CG-CZ 3.73Å; L403-F475 HydrophobicContact CD1-CB 4.42Å; L403-F475 HydrophobicContact CD1-CD1 4.34Å; L403-F475 HydrophobicContact CD1-CD2 4.27Å; L403-F475 HydrophobicContact CD1-CG 4.05Å; M471-F475 VanDerWaalsContact O-CD2 3.27Å; M471-F475 WeakPolarHBondContact O-CD2 3.45Å; M471-F475 WeakPolarHBondContact O-CE2 3.37Å; I472-F475 WeakPolarHBondContact O-CB 3.27Å; I472-F475 PolarHBondContact O-N 3.23Å; R473-F475 PolarHBondContact O-N 2.86Å; F475-G477 PolarHBondContact O-N 2.89Å; F475-V478 HydrophobicContact CD1-CG1 4.44Å; F475-V478 WeakPolarHBondContact O-CB 3.01Å; F475-V478 PolarHBondContact O-N 3.47Å; F475-V478 VanDerWaalsContact O-N 3.09Å; F475-V481 HydrophobicContact CB-CG2 4.26Å; F475-V481 HydrophobicContact CD1-CG2 4.2Å; F475-Y486 HydrophobicContact CB-CD2 4.41Å
476	R	89.7	Confident	92.1	Very high	160 Å²	160	59.7 Å²	59.7	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122	175.3	-179.7	163.9	-80	-157.6	-7.5	110	R473 V478 Y486 E487	R473-R476 WeakPolarHBondContact O-CB 3.09Å; R473-R476 PolarHBondContact O-N 3.35Å; R473-R476 VanDerWaalsContact O-N 3.16Å; R476-V478 VanDerWaalsContact C-N 3.26Å; R476-V478 PolarHBondContact O-N 2.92Å; R476-Y486 HydrophobicContact CB-CE2 3.72Å; R476-Y486 PolarHBondContact NE-OH 3.44Å; R476-E487 IonicContact NH2-OE1 2.66Å; R476-E487 PolarHBondContact NH2-OE1 3.07Å; R476-E487 VanDerWaalsContact NH2-OE1 3.1Å
477	G	81.2	Confident	92	Very high	79 Å²	79	60.6 Å²	60.6	81%	0.814	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	2.6	-178.2	0	0	0	0	0	115.5	F475	F475-G477 PolarHBondContact O-N 2.89Å
478	V	80.1	Confident	92	Very high	39 Å²	39	62 Å²	62	24%	0.236	33%	0.333	C	S	.	.			trans	-71.9	130.3	177.3	171.7	0	0	0	0	110.1	R404 F475 R476 G480 V481	R404-V478 VanDerWaalsContact NH2-CG1 3.32Å; F475-V478 HydrophobicContact CD1-CG1 4.44Å; F475-V478 WeakPolarHBondContact O-CB 3.01Å; F475-V478 PolarHBondContact O-N 3.47Å; F475-V478 VanDerWaalsContact O-N 3.09Å; R476-V478 VanDerWaalsContact C-N 3.26Å; R476-V478 PolarHBondContact O-N 2.92Å; V478-G480 PolarHBondContact O-N 2.87Å; V478-V481 HydrophobicContact CB-CG2 3.95Å; V478-V481 HydrophobicContact CG1-CG2 4.17Å; V478-V481 WeakPolarHBondContact O-CB 3.17Å; V478-V481 WeakPolarHBondContact O-CG2 3.38Å; V478-V481 PolarHBondContact O-N 2.89Å; V478-V481 VanDerWaalsContact O-N 3.17Å
479	P	79.6	Confident	91.9	Very high	96 Å²	96	61.9 Å²	61.9	62%	0.623	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	133.7	-176.2	-31.7	36.7	0	0	0	114.7	R404 V481	R404-P479 PolarHBondContact NE-O 2.96Å; P479-V481 VanDerWaalsContact C-N 3.3Å; P479-V481 PolarHBondContact O-N 3.5Å
480	G	83.4	Confident	91.9	Very high	52 Å²	52	60.5 Å²	60.5	54%	0.536	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	4.1	179.4	0	0	0	0	0	115.5	R404 V478	R404-G480 CarbonylContact C-O 3.54Å; R404-G480 WeakPolarHBondContact CA-O 3.27Å; R404-G480 VanDerWaalsContact CB-O 3.3Å; R404-G480 WeakPolarHBondContact CB-O 3.25Å; V478-G480 PolarHBondContact O-N 2.87Å
481	V	87.6	Confident	91.8	Very high	25 Å²	25	60.1 Å²	60.1	15%	0.152	33%	0.332	C	S	.	.			trans	-72.7	127.6	172	173.8	0	0	0	0	110	L403 R404 F475 V478 P479	L403-V481 CarbonylContact O-C 3.43Å; L403-V481 WeakPolarHBondContact O-CA 3.3Å; R404-V481 HydrophobicContact CG-CG2 3.83Å; F475-V481 HydrophobicContact CB-CG2 4.26Å; F475-V481 HydrophobicContact CD1-CG2 4.2Å; V478-V481 HydrophobicContact CB-CG2 3.95Å; V478-V481 HydrophobicContact CG1-CG2 4.17Å; V478-V481 WeakPolarHBondContact O-CB 3.17Å; V478-V481 WeakPolarHBondContact O-CG2 3.38Å; V478-V481 PolarHBondContact O-N 2.89Å; V478-V481 VanDerWaalsContact O-N 3.17Å; P479-V481 VanDerWaalsContact C-N 3.3Å; P479-V481 PolarHBondContact O-N 3.5Å
482	K	92.3	Very high	91.9	Very high	54 Å²	54	60.4 Å²	60.4	24%	0.235	34%	0.336	C	S	.	.			trans	-71.7	118.5	175.6	-85.7	178.6	169.5	-178.4	0	109.1	L403 E484 R485 Y486 A731 D732	L403-K482 PolarHBondContact O-N 3.33Å; K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 WeakPolarHBondContact CB-OE1 3.44Å; K482-E484 VanDerWaalsContact CD-OE1 3.3Å; K482-E484 WeakPolarHBondContact CD-OE1 3.46Å; K482-E484 WeakPolarHBondContact CG-OE1 3.49Å; K482-E484 PolarHBondContact O-N 2.87Å; K482-R485 HydrophobicContact CB-CB 4.05Å; K482-R485 HydrophobicContact CB-CG 4.14Å; K482-R485 HydrophobicContact CD-CG 4.39Å; K482-R485 PolarHBondContact O-N 3.05Å; K482-R485 VanDerWaalsContact O-N 3.16Å; K482-Y486 PolarHBondContact O-N 3.47Å; K482-A731 PolarHBondContact NZ-O 3.26Å; K482-D732 IonicContact NZ-OD1 2.79Å; K482-D732 PolarHBondContact NZ-OD1 3.37Å
483	P	95.4	Very high	92	Very high	96 Å²	96	63.9 Å²	63.9	62%	0.623	35%	0.351	S	S	*	.	H	α-helix	trans	-56.2	-41.8	-176.7	-27.3	35.5	0	0	0	113.9	R485 Y486 E487	P483-R485 VanDerWaalsContact C-N 3.35Å; P483-R485 PolarHBondContact O-N 3.48Å; P483-Y486 WeakPolarHBondContact O-CB 3.24Å; P483-Y486 PolarHBondContact O-N 3.05Å; P483-E487 PolarHBondContact O-N 3.03Å; P483-E487 VanDerWaalsContact O-N 3.13Å
484	E	96.2	Very high	92.1	Very high	100 Å²	100	59 Å²	59	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-45.2	177.5	68.4	-73.5	-176.7	0	0	111.3	K482 Y486 E487 E488	K482-E484 VanDerWaalsContact C-N 3.32Å; K482-E484 WeakPolarHBondContact CB-OE1 3.44Å; K482-E484 VanDerWaalsContact CD-OE1 3.3Å; K482-E484 WeakPolarHBondContact CD-OE1 3.46Å; K482-E484 WeakPolarHBondContact CG-OE1 3.49Å; K482-E484 PolarHBondContact O-N 2.87Å; E484-Y486 PolarHBondContact O-N 3.37Å; E484-E487 PolarHBondContact O-N 3.49Å; E484-E488 WeakPolarHBondContact O-CB 3.3Å; E484-E488 VanDerWaalsContact O-CG 3.27Å; E484-E488 WeakPolarHBondContact O-CG 3Å; E484-E488 PolarHBondContact O-N 3.41Å
485	R	95.6	Very high	92.5	Very high	24 Å²	24	52.7 Å²	52.7	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-74.2	-25.8	178.2	-64.5	-164.9	179.1	167.1	5.1	113.7	M402 L403 H420 K482 P483 G489 D732	M402-R485 WeakPolarHBondContact O-CD 3.49Å; M402-R485 PolarHBondContact O-NH1 2.86Å; L403-R485 HydrophobicContact CD2-CB 4.5Å; L403-R485 VanDerWaalsContact CD2-O 3.28Å; L403-R485 WeakPolarHBondContact CD2-O 3.31Å; H420-R485 PolarHBondContact CD2-O 2.88Å; K482-R485 HydrophobicContact CB-CB 4.05Å; K482-R485 HydrophobicContact CB-CG 4.14Å; K482-R485 HydrophobicContact CD-CG 4.39Å; K482-R485 PolarHBondContact O-N 3.05Å; K482-R485 VanDerWaalsContact O-N 3.16Å; P483-R485 VanDerWaalsContact C-N 3.35Å; P483-R485 PolarHBondContact O-N 3.48Å; R485-G489 PolarHBondContact O-N 3.46Å; R485-D732 IonicContact CZ-OD1 3.14Å; R485-D732 IonicContact CZ-OD2 3.67Å; R485-D732 IonicContact NH1-OD1 2.9Å; R485-D732 PolarHBondContact NH1-OD1 3.26Å; R485-D732 IonicContact NH1-OD2 2.62Å; R485-D732 PolarHBondContact NH1-OD2 3.25Å; R485-D732 IonicContact NH2-OD1 2.72Å; R485-D732 PolarHBondContact NH2-OD1 2.86Å; R485-D732 IonicContact NH2-OD2 3.31Å
486	Y	96.8	Very high	93	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-49	171.4	168.5	-84.8	0	0	0	110.5	I472 F475 R476 K482 P483 E484 G489 L490	I472-Y486 HydrophobicContact CG2-CD2 4.45Å; I472-Y486 HydrophobicContact CG2-CE2 4.41Å; I472-Y486 WeakPolarHBondContact O-CE2 3.23Å; F475-Y486 HydrophobicContact CB-CD2 4.41Å; R476-Y486 HydrophobicContact CB-CE2 3.72Å; R476-Y486 PolarHBondContact NE-OH 3.44Å; K482-Y486 PolarHBondContact O-N 3.47Å; P483-Y486 WeakPolarHBondContact O-CB 3.24Å; P483-Y486 PolarHBondContact O-N 3.05Å; E484-Y486 PolarHBondContact O-N 3.37Å; Y486-G489 PolarHBondContact O-N 3.13Å; Y486-L490 HydrophobicContact CE1-CD1 3.87Å; Y486-L490 HydrophobicContact CE1-CG 4.38Å; Y486-L490 PolarHBondContact O-N 2.64Å
487	E	97.4	Very high	93.4	Very high	104 Å²	104	44.6 Å²	44.6	49%	0.486	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-40.4	179.8	-62.1	-61.1	152.1	0	0	111.3	R476 P483 E484 G489 L490	R476-E487 IonicContact NH2-OE1 2.66Å; R476-E487 PolarHBondContact NH2-OE1 3.07Å; R476-E487 VanDerWaalsContact NH2-OE1 3.1Å; P483-E487 PolarHBondContact O-N 3.03Å; P483-E487 VanDerWaalsContact O-N 3.13Å; E484-E487 PolarHBondContact O-N 3.49Å; E487-G489 VanDerWaalsContact C-N 3.28Å; E487-G489 PolarHBondContact O-N 3.4Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 2.62Å; E487-L490 WeakPolarHBondContact OE2-CD1 3.41Å
488	E	97.4	Very high	94.1	Very high	68 Å²	68	42.6 Å²	42.6	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-38	171.6	-74.3	166.7	176.8	0	0	113.2	H420 R421 E484 L490 A491	H420-E488 IonicContact CD2-OE2 3.59Å; H420-E488 IonicContact CE1-OE2 2.9Å; H420-E488 IonicContact NE2-OE2 3.61Å; H420-E488 PolarHBondContact NE2-OE2 3.39Å; R421-E488 HydrophobicContact CG-CB 4.39Å; R421-E488 PolarHBondContact NE-O 3.15Å; E484-E488 WeakPolarHBondContact O-CB 3.3Å; E484-E488 VanDerWaalsContact O-CG 3.27Å; E484-E488 WeakPolarHBondContact O-CG 3Å; E484-E488 PolarHBondContact O-N 3.41Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 3.29Å; E488-A491 CarbonylContact O-C 3.53Å; E488-A491 PolarHBondContact O-N 2.84Å; E488-A491 VanDerWaalsContact O-O 3.14Å
489	G	96.1	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.4	-19.5	-179.9	0	0	0	0	0	114.2	H420 R485 Y486 E487 A491	H420-G489 WeakPolarHBondContact O-CA 3.27Å; R485-G489 PolarHBondContact O-N 3.46Å; Y486-G489 PolarHBondContact O-N 3.13Å; E487-G489 VanDerWaalsContact C-N 3.28Å; E487-G489 PolarHBondContact O-N 3.4Å; G489-A491 PolarHBondContact O-N 2.83Å
490	L	96.9	Very high	95	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.168	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.2	171.5	-64.4	175	0	0	0	112.1	Q469 I472 R473 Y486 E487 E488	Q469-L490 WeakPolarHBondContact CG-O 3.49Å; Q469-L490 PolarHBondContact NE2-O 3.32Å; I472-L490 HydrophobicContact CB-CD2 4.14Å; I472-L490 HydrophobicContact CG2-CD2 3.73Å; I472-L490 HydrophobicContact CG2-CG 4.21Å; R473-L490 HydrophobicContact CG-CD2 3.76Å; Y486-L490 HydrophobicContact CE1-CD1 3.87Å; Y486-L490 HydrophobicContact CE1-CG 4.38Å; Y486-L490 PolarHBondContact O-N 2.64Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 2.62Å; E487-L490 WeakPolarHBondContact OE2-CD1 3.41Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 3.29Å
491	A	96.6	Very high	95.4	Very high	49 Å²	49	35.9 Å²	35.9	41%	0.405	20%	0.199	S	C	.	.	S	Bend	trans	-111	87.3	176.7	0	0	0	0	0	110.5	E488 G489 K493	E488-A491 CarbonylContact O-C 3.53Å; E488-A491 PolarHBondContact O-N 2.84Å; E488-A491 VanDerWaalsContact O-O 3.14Å; G489-A491 PolarHBondContact O-N 2.83Å; A491-K493 PolarHBondContact O-N 2.91Å
492	A	97.5	Very high	95.7	Very high	16 Å²	16	34.9 Å²	34.9	13%	0.132	19%	0.193	C	C	.	.			trans	-57.7	129	175.9	0	0	0	0	0	111.1	R421 M423 L465	R421-A492 CarbonylContact O-C 3.45Å; R421-A492 WeakPolarHBondContact O-CA 3.15Å; M423-A492 HydrophobicContact CB-CB 4.28Å; L465-A492 HydrophobicContact CD2-CB 4.31Å
493	K	98.1	Very high	95.9	Very high	73 Å²	73	32.4 Å²	32.4	32%	0.317	18%	0.182	S	C	.	.			trans	-110.1	-17.9	178.2	-77.9	-65.8	-169	170.2	0	113.2	R421 A491 I521 S522	R421-K493 HydrophobicContact CB-CB 4.29Å; R421-K493 PolarHBondContact O-N 3.42Å; A491-K493 PolarHBondContact O-N 2.91Å; K493-I521 WeakPolarHBondContact O-CA 3.45Å; K493-S522 PolarHBondContact O-N 2.86Å; K493-S522 PolarHBondContact O-OG 3.37Å
494	H	98.6	Very high	95.9	Very high	4 Å²	4	28 Å²	28	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.2	-177.6	-47.3	-61	0	0	0	110.4	I417 E418 R421 C422 M423 S522 F524 Y687	I417-H494 HydrophobicContact CG2-CB 4.08Å; E418-H494 PolarHBondContact N-NE2 2.83Å; E418-H494 VanDerWaalsContact N-NE2 3.18Å; R421-H494 PolarHBondContact O-N 2.88Å; R421-H494 VanDerWaalsContact O-N 3.16Å; C422-H494 WeakPolarHBondContact CA-O 3.25Å; C422-H494 HydrophobicContact CB-CB 4.16Å; M423-H494 PolarHBondContact N-O 3.46Å; H494-S522 PolarHBondContact ND1-OG 3.21Å; H494-F524 HydrophobicContact CB-CD2 4.36Å; H494-F524 HydrophobicContact CB-CE2 3.94Å; H494-Y687 AromaticContact CE1-CD1 3.95Å; H494-Y687 AromaticContact CE1-CE1 3.66Å; H494-Y687 AromaticContact CE1-CE2 3.82Å; H494-Y687 AromaticContact CE1-CZ 3.61Å; H494-Y687 AromaticContact ND1-CE1 3.7Å
495	C	98.7	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.4	172.6	-177.4	0	0	0	0	110	M423 L516 I521 S522 F524	M423-C495 HydrophobicContact CE-CB 4.36Å; M423-C495 WeakPolarHBondContact O-CA 3.48Å; C495-L516 HydrophobicContact CB-CD1 3.78Å; C495-L516 HydrophobicContact CB-CD2 3.57Å; C495-L516 HydrophobicContact CB-CG 4.33Å; C495-I521 HydrophobicContact CB-CG2 3.81Å; C495-S522 PolarHBondContact N-O 3.08Å; C495-F524 PolarHBondContact O-N 3.2Å
496	A	98.4	Very high	95.9	Very high	11 Å²	11	22.8 Å²	22.8	9%	0.091	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	100.3	173.7	0	0	0	0	0	109.4	M423 T425 S498	M423-A496 PolarHBondContact O-N 3.36Å; T425-A496 PolarHBondContact N-O 2.73Å; A496-S498 PolarHBondContact O-N 3.2Å
497	L	98.3	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	72.9	172	-64.4	166	0	0	0	107.6	T425 P503 I509 F512 L513 L516 F524 L525 V526	T425-L497 HydrophobicContact CG2-CD2 3.69Å; L497-P503 HydrophobicContact CB-CB 4.26Å; L497-P503 HydrophobicContact CB-CG 4.3Å; L497-I509 HydrophobicContact CD1-CD1 4.41Å; L497-F512 HydrophobicContact CD1-CD1 4.36Å; L497-F512 HydrophobicContact CD1-CE1 4.41Å; L497-F512 HydrophobicContact CD2-CD1 4.24Å; L497-F512 HydrophobicContact CD2-CE1 3.7Å; L497-L513 HydrophobicContact CD1-CD2 3.89Å; L497-L516 HydrophobicContact CD1-CD1 4.24Å; L497-F524 PolarHBondContact N-O 3.4Å; L497-L525 HydrophobicContact CB-CB 4.46Å; L497-L525 HydrophobicContact CB-CG 4.43Å; L497-L525 HydrophobicContact CD1-CB 4.46Å; L497-L525 HydrophobicContact CD1-CD1 4.29Å; L497-V526 PolarHBondContact O-N 3.46Å
498	S	94.8	Very high	96	Very high	37 Å²	37	23.5 Å²	23.5	26%	0.259	14%	0.141	S	C	.	.			trans	-154.1	9.8	-171.9	70.2	0	0	0	0	114.4	T425 A496 V526	T425-S498 PolarHBondContact O-N 3.12Å; A496-S498 PolarHBondContact O-N 3.2Å; S498-V526 VanDerWaalsContact CB-CG2 3.49Å
499	L	91.2	Very high	96	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.068	13%	0.128	C	C	.	.	S	Bend	trans	-67.5	-47.2	-169.3	179.9	60.1	0	0	0	113	Y384 G392 K394 E424 T425	Y384-L499 HydrophobicContact CD1-CD2 3.99Å; Y384-L499 HydrophobicContact CE1-CD1 4.09Å; Y384-L499 HydrophobicContact CE1-CD2 3.39Å; Y384-L499 HydrophobicContact CE1-CG 3.61Å; Y384-L499 VanDerWaalsContact OH-CD1 3.28Å; Y384-L499 WeakPolarHBondContact OH-CD1 3.44Å; Y384-L499 WeakPolarHBondContact OH-CG 3.39Å; Y384-L499 PolarHBondContact OH-O 2.98Å; G392-L499 VanDerWaalsContact O-CD2 3.28Å; G392-L499 WeakPolarHBondContact O-CD2 3.32Å; K394-L499 HydrophobicContact CB-CD1 3.72Å; K394-L499 HydrophobicContact CB-CD2 3.93Å; K394-L499 HydrophobicContact CB-CG 4.5Å; K394-L499 HydrophobicContact CD-CD1 4.47Å; K394-L499 HydrophobicContact CG-CD1 4.49Å; E424-L499 HydrophobicContact CG-CB 4.09Å; E424-L499 HydrophobicContact CG-CD1 3.84Å; T425-L499 WeakPolarHBondContact O-CB 3.19Å; T425-L499 PolarHBondContact O-N 2.98Å
500	V	88.7	Confident	96.1	Very high	12 Å²	12	22.8 Å²	22.8	7%	0.073	14%	0.139	C	C	.	.	S	Bend	trans	-174.4	156.2	-178.3	59.2	0	0	0	0	109.1	Y384 T426 S428 L429 N444	Y384-V500 HydrophobicContact CE1-CG1 3.8Å; T426-V500 VanDerWaalsContact CB-O 3.27Å; T426-V500 WeakPolarHBondContact CB-O 3.4Å; T426-V500 HydrophobicContact CG2-CG1 3.73Å; T426-V500 WeakPolarHBondContact CG2-O 3.33Å; T426-V500 PolarHBondContact OG1-O 2.91Å; S428-V500 VanDerWaalsContact O-O 3.08Å; L429-V500 HydrophobicContact CD2-CG1 3.41Å; L429-V500 VanDerWaalsContact CD2-CG1 3.41Å; L429-V500 HydrophobicContact CD2-CG2 4.4Å; L429-V500 HydrophobicContact CG-CG1 4.33Å; N444-V500 WeakPolarHBondContact ND2-CG2 3.49Å
501	G	91.5	Very high	96.2	Very high	22 Å²	22	24.3 Å²	24.3	23%	0.227	15%	0.15	C	C	.	.	S	Bend	trans	76.4	-162.5	179.4	0	0	0	0	0	112	S428 A430	S428-G501 WeakPolarHBondContact O-CA 3.5Å; A430-G501 CarbonylContact O-C 3.58Å; A430-G501 WeakPolarHBondContact O-CA 3.46Å
502	E	94	Very high	96.3	Very high	3 Å²	3	22 Å²	22	1%	0.014	13%	0.13	C	C	.	.			trans	-118.5	99.6	179.3	-178.9	48.5	-116.5	0	0	109.7	S428 A430 I504 M505 T527 N528 F531	S428-E502 VanDerWaalsContact CB-O 3.26Å; S428-E502 WeakPolarHBondContact CB-O 3.35Å; S428-E502 PolarHBondContact OG-O 3.49Å; A430-E502 PolarHBondContact O-N 3.42Å; E502-I504 VanDerWaalsContact C-N 3.28Å; E502-I504 HydrophobicContact CG-CG2 4.15Å; E502-I504 PolarHBondContact O-N 3.28Å; E502-I504 VanDerWaalsContact OE1-CG2 3.28Å; E502-I504 WeakPolarHBondContact OE1-CG2 3.41Å; E502-I504 PolarHBondContact OE1-N 2.82Å; E502-M505 HydrophobicContact CB-CB 4.46Å; E502-M505 HydrophobicContact CG-CB 4.23Å; E502-M505 PolarHBondContact O-N 3.32Å; E502-T527 WeakPolarHBondContact OE1-CA 3.42Å; E502-T527 WeakPolarHBondContact OE1-CB 3.48Å; E502-T527 PolarHBondContact OE1-OG1 3.49Å; E502-T527 WeakPolarHBondContact OE2-CA 3.37Å; E502-T527 PolarHBondContact OE2-OG1 3.04Å; E502-N528 WeakPolarHBondContact OE2-CB 3.19Å; E502-N528 PolarHBondContact OE2-N 3.38Å; E502-N528 PolarHBondContact OE2-ND2 3.36Å; E502-N528 PolarHBondContact OE2-OD1 3.1Å; E502-F531 HydrophobicContact CG-CD2 3.89Å; E502-F531 HydrophobicContact CG-CE2 3.75Å
503	P	96.3	Very high	96.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.013	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-60.2	-32.9	-176.9	-25.5	35.1	0	0	0	114.1	P427 L497 M505 Y506 L525 V526	P427-P503 HydrophobicContact CG-CB 4.14Å; L497-P503 HydrophobicContact CB-CB 4.26Å; L497-P503 HydrophobicContact CB-CG 4.3Å; P503-M505 PolarHBondContact O-N 2.72Å; P503-Y506 WeakPolarHBondContact O-CB 3.27Å; P503-Y506 PolarHBondContact O-N 2.83Å; P503-L525 HydrophobicContact CB-CG 4.43Å; P503-V526 WeakPolarHBondContact CD-O 3.28Å
504	I	95.9	Very high	96.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-71.1	-17.7	-174.9	-140.6	177.1	0	0	0	112.9	E502 Y506 L525 F531 E534 I535 L538	E502-I504 VanDerWaalsContact C-N 3.28Å; E502-I504 HydrophobicContact CG-CG2 4.15Å; E502-I504 PolarHBondContact O-N 3.28Å; E502-I504 VanDerWaalsContact OE1-CG2 3.28Å; E502-I504 WeakPolarHBondContact OE1-CG2 3.41Å; E502-I504 PolarHBondContact OE1-N 2.82Å; I504-Y506 PolarHBondContact O-N 2.96Å; I504-L525 HydrophobicContact CB-CD2 4.39Å; I504-L525 HydrophobicContact CD1-CD2 4.44Å; I504-L525 HydrophobicContact CG1-CD2 4.39Å; I504-F531 HydrophobicContact CG2-CB 3.62Å; I504-F531 HydrophobicContact CG2-CD2 4.02Å; I504-F531 HydrophobicContact CG2-CG 3.97Å; I504-E534 HydrophobicContact CD1-CB 4.03Å; I504-E534 HydrophobicContact CG1-CB 4.02Å; I504-E534 HydrophobicContact CG2-CB 4.23Å; I504-I535 HydrophobicContact CD1-CB 4.4Å; I504-I535 HydrophobicContact CD1-CG1 3.64Å; I504-L538 HydrophobicContact CD1-CD1 4.23Å; I504-L538 HydrophobicContact CG1-CD1 4.02Å
505	M	94.5	Very high	96.3	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.064	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-76.6	-6.7	177	-161.8	-173.6	66.2	0	0	113	A430 W450 W452 E502 P503 P507 F531	A430-M505 HydrophobicContact CB-CE 3.63Å; W450-M505 HydrophobicContact CE3-CE 4.27Å; W452-M505 HydrophobicContact CH2-CE 4.38Å; W452-M505 HydrophobicContact CZ3-CE 3.8Å; E502-M505 HydrophobicContact CB-CB 4.46Å; E502-M505 HydrophobicContact CG-CB 4.23Å; E502-M505 PolarHBondContact O-N 3.32Å; P503-M505 PolarHBondContact O-N 2.72Å; M505-P507 WeakPolarHBondContact O-CD 3.01Å; M505-F531 HydrophobicContact CB-CE2 4.48Å; M505-F531 HydrophobicContact CB-CZ 4.23Å; M505-F531 HydrophobicContact CG-CE1 4.06Å; M505-F531 HydrophobicContact CG-CZ 3.83Å; M505-F531 HydrophobicContact SD-CZ 3.91Å
506	Y	97.1	Very high	96.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	14%	0.135	C	C	.	.	S	Bend	trans	-77	121.7	176.8	174.7	-120.6	0	0	0	110.9	H390 P427 W450 M454 D455 A457 I460 P503 I504 E508 I509 F512	H390-Y506 AromaticContact CE1-CD2 3.74Å; H390-Y506 AromaticContact CE1-CE2 3.42Å; H390-Y506 VanDerWaalsContact CE1-CE2 3.42Å; H390-Y506 WeakPolarHBondContact CE1-CE2 3.49Å; H390-Y506 AromaticContact NE2-CE2 3.87Å; P427-Y506 HydrophobicContact CB-CD1 3.64Å; P427-Y506 HydrophobicContact CB-CD2 4.4Å; P427-Y506 HydrophobicContact CB-CE1 4.19Å; P427-Y506 HydrophobicContact CB-CG 3.75Å; P427-Y506 HydrophobicContact CG-CD1 4.15Å; P427-Y506 HydrophobicContact CG-CG 4.24Å; W450-Y506 AromaticContact CH2-CD2 3.87Å; W450-Y506 HydrophobicContact CH2-CD2 3.87Å; W450-Y506 HydrophobicContact CZ2-CD2 4.37Å; W450-Y506 HydrophobicContact CZ3-CD2 4.06Å; M454-Y506 HydrophobicContact CG-CE2 3.8Å; M454-Y506 HydrophobicContact SD-CE2 4.13Å; D455-Y506 PolarHBondContact O-OH 3.49Å; A457-Y506 WeakPolarHBondContact CA-OH 3.47Å; A457-Y506 HydrophobicContact CB-CE1 4.27Å; A457-Y506 PolarHBondContact N-OH 2.63Å; I460-Y506 HydrophobicContact CD1-CE1 4.15Å; I460-Y506 HydrophobicContact CD1-CE2 3.91Å; I460-Y506 VanDerWaalsContact CD1-OH 3.27Å; I460-Y506 WeakPolarHBondContact CD1-OH 3.36Å; P503-Y506 WeakPolarHBondContact O-CB 3.27Å; P503-Y506 PolarHBondContact O-N 2.83Å; I504-Y506 PolarHBondContact O-N 2.96Å; Y506-E508 VanDerWaalsContact C-N 3.29Å; Y506-E508 HydrophobicContact CD1-CB 4.38Å; Y506-E508 HydrophobicContact CE1-CB 3.61Å; Y506-E508 PolarHBondContact O-N 3.32Å; Y506-E508 VanDerWaalsContact O-N 3.16Å; Y506-I509 HydrophobicContact CD1-CB 4.35Å; Y506-I509 VanDerWaalsContact O-CB 3.27Å; Y506-I509 WeakPolarHBondContact O-CB 3.45Å; Y506-I509 WeakPolarHBondContact O-CG2 3.3Å; Y506-I509 PolarHBondContact O-N 3.19Å; Y506-F512 HydrophobicContact CE1-CB 4.39Å
507	P	97	Very high	96.3	Very high	77 Å²	77	24.1 Å²	24.1	50%	0.5	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.7	-171.2	-28.6	36.2	0	0	0	115.4	W450 M454 M505	W450-P507 HydrophobicContact CB-CG 3.88Å; W450-P507 HydrophobicContact CD2-CG 4Å; W450-P507 HydrophobicContact CG-CG 3.68Å; M454-P507 HydrophobicContact SD-CB 3.87Å; M454-P507 HydrophobicContact SD-CG 3.8Å; M505-P507 WeakPolarHBondContact O-CD 3.01Å
508	E	97.8	Very high	96.3	Very high	56 Å²	56	27.4 Å²	27.4	26%	0.262	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	22.9	177.5	-56.3	-175.7	178.8	0	0	113.1	M454 A457 Y506 N510 T511 F512	M454-E508 HydrophobicContact CE-CG 3.89Å; M454-E508 VanDerWaalsContact CE-OE1 3.27Å; M454-E508 WeakPolarHBondContact CE-OE1 3.49Å; M454-E508 HydrophobicContact SD-CG 4.41Å; A457-E508 HydrophobicContact CB-CB 4.04Å; A457-E508 WeakPolarHBondContact CB-OE2 3.49Å; A457-E508 PolarHBondContact N-OE2 2.98Å; Y506-E508 VanDerWaalsContact C-N 3.29Å; Y506-E508 HydrophobicContact CD1-CB 4.38Å; Y506-E508 HydrophobicContact CE1-CB 3.61Å; Y506-E508 PolarHBondContact O-N 3.32Å; Y506-E508 VanDerWaalsContact O-N 3.16Å; E508-N510 VanDerWaalsContact C-N 3.26Å; E508-N510 PolarHBondContact O-N 3.4Å; E508-T511 WeakPolarHBondContact O-CA 3.21Å; E508-T511 WeakPolarHBondContact O-CB 3.3Å; E508-T511 PolarHBondContact O-N 2.72Å; E508-F512 PolarHBondContact O-N 2.67Å
509	I	98.2	Very high	96.4	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.062	17%	0.167	C	C	.	.	H	α-helix	trans	-55.5	-38.8	-177.2	-171.8	60	0	0	0	112.9	P427 L497 Y506 T511 F512 L513 L525 L538	P427-I509 HydrophobicContact CG-CD1 4.13Å; L497-I509 HydrophobicContact CD1-CD1 4.41Å; Y506-I509 HydrophobicContact CD1-CB 4.35Å; Y506-I509 VanDerWaalsContact O-CB 3.27Å; Y506-I509 WeakPolarHBondContact O-CB 3.45Å; Y506-I509 WeakPolarHBondContact O-CG2 3.3Å; Y506-I509 PolarHBondContact O-N 3.19Å; I509-T511 PolarHBondContact O-N 3.2Å; I509-F512 PolarHBondContact O-N 2.59Å; I509-L513 HydrophobicContact CG1-CD1 4.23Å; I509-L513 WeakPolarHBondContact O-CB 3.45Å; I509-L513 VanDerWaalsContact O-CG 3.24Å; I509-L513 WeakPolarHBondContact O-CG 3.17Å; I509-L513 PolarHBondContact O-N 3.23Å; I509-L525 HydrophobicContact CD1-CD1 3.86Å; I509-L525 HydrophobicContact CG1-CD1 3.82Å; I509-L538 HydrophobicContact CG1-CD1 4.24Å; I509-L538 HydrophobicContact CG2-CD1 4.19Å
510	N	98.3	Very high	96.7	Very high	42 Å²	42	34.1 Å²	34.1	23%	0.225	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-34.9	175.5	-79.2	-18.9	0	0	0	113	E508 R514 N537 L538 V539	E508-N510 VanDerWaalsContact C-N 3.26Å; E508-N510 PolarHBondContact O-N 3.4Å; N510-R514 WeakPolarHBondContact O-CG 3.29Å; N510-R514 PolarHBondContact O-N 3.4Å; N510-N537 PolarHBondContact ND2-O 2.92Å; N510-L538 WeakPolarHBondContact OD1-CA 3.45Å; N510-V539 HydrophobicContact CB-CG1 3.93Å; N510-V539 HydrophobicContact CB-CG2 4.27Å; N510-V539 PolarHBondContact OD1-N 2.65Å
511	T	98.4	Very high	97.2	Very high	64 Å²	64	33.8 Å²	33.8	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-67.8	-46	172.9	-48.5	0	0	0	0	110.2	A457 E508 I509 L513 R514 L515	A457-T511 HydrophobicContact CB-CG2 4.07Å; E508-T511 WeakPolarHBondContact O-CA 3.21Å; E508-T511 WeakPolarHBondContact O-CB 3.3Å; E508-T511 PolarHBondContact O-N 2.72Å; I509-T511 PolarHBondContact O-N 3.2Å; T511-L513 VanDerWaalsContact C-N 3.3Å; T511-L513 PolarHBondContact O-N 2.83Å; T511-R514 PolarHBondContact O-N 3.17Å; T511-L515 HydrophobicContact CG2-CD1 4.15Å; T511-L515 VanDerWaalsContact O-CG 3.3Å; T511-L515 WeakPolarHBondContact O-CG 3.47Å; T511-L515 PolarHBondContact O-N 2.7Å
512	F	98.6	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-39	177.7	-168.1	-88.5	0	0	0	112.6	A457 I460 L461 L497 Y506 E508 I509 L515 L516	A457-F512 HydrophobicContact CB-CB 4Å; A457-F512 HydrophobicContact CB-CD2 4.18Å; I460-F512 HydrophobicContact CB-CD2 4.35Å; I460-F512 HydrophobicContact CB-CE2 3.93Å; I460-F512 HydrophobicContact CG2-CD2 4.37Å; I460-F512 HydrophobicContact CG2-CE2 3.67Å; I460-F512 HydrophobicContact CG2-CZ 4.39Å; L461-F512 HydrophobicContact CB-CD2 4.48Å; L461-F512 HydrophobicContact CB-CE2 3.84Å; L461-F512 HydrophobicContact CB-CZ 4.34Å; L461-F512 HydrophobicContact CD1-CZ 4.22Å; L497-F512 HydrophobicContact CD1-CD1 4.36Å; L497-F512 HydrophobicContact CD1-CE1 4.41Å; L497-F512 HydrophobicContact CD2-CD1 4.24Å; L497-F512 HydrophobicContact CD2-CE1 3.7Å; Y506-F512 HydrophobicContact CE1-CB 4.39Å; E508-F512 PolarHBondContact O-N 2.67Å; I509-F512 PolarHBondContact O-N 2.59Å; F512-L515 PolarHBondContact O-N 3.46Å; F512-L516 HydrophobicContact CD1-CD1 4.02Å; F512-L516 HydrophobicContact CD1-CG 4.32Å; F512-L516 HydrophobicContact CE1-CD1 3.79Å; F512-L516 HydrophobicContact CE1-CD2 4.35Å; F512-L516 HydrophobicContact CE1-CG 4.03Å; F512-L516 WeakPolarHBondContact O-CG 3.32Å; F512-L516 PolarHBondContact O-N 3.06Å; F512-L516 VanDerWaalsContact O-N 3.1Å
513	L	98.5	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-47.1	175.6	-73.3	169.5	0	0	0	112.2	L497 I509 T511 L515 L516 H517 L525 L538 V539 V541	L497-L513 HydrophobicContact CD1-CD2 3.89Å; I509-L513 HydrophobicContact CG1-CD1 4.23Å; I509-L513 WeakPolarHBondContact O-CB 3.45Å; I509-L513 VanDerWaalsContact O-CG 3.24Å; I509-L513 WeakPolarHBondContact O-CG 3.17Å; I509-L513 PolarHBondContact O-N 3.23Å; T511-L513 VanDerWaalsContact C-N 3.3Å; T511-L513 PolarHBondContact O-N 2.83Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 2.98Å; L513-L516 HydrophobicContact CD2-CD1 4.45Å; L513-L516 WeakPolarHBondContact O-CB 3.33Å; L513-L516 PolarHBondContact O-N 3.08Å; L513-H517 PolarHBondContact O-N 3.49Å; L513-H517 PolarHBondContact O-ND1 3.04Å; L513-L525 HydrophobicContact CD1-CD1 4.35Å; L513-L538 HydrophobicContact CD1-CD1 3.68Å; L513-L538 HydrophobicContact CD1-CD2 4.35Å; L513-L538 HydrophobicContact CD1-CG 3.9Å; L513-V539 HydrophobicContact CB-CG2 3.7Å; L513-V539 HydrophobicContact CD1-CG2 3.8Å; L513-V539 HydrophobicContact CG-CG2 4.42Å; L513-V541 HydrophobicContact CD1-CG1 3.57Å; L513-V541 HydrophobicContact CD2-CG1 3.71Å; L513-V541 HydrophobicContact CG-CG1 4.22Å
514	R	98.4	Very high	97.8	Very high	104 Å²	104	32.6 Å²	32.6	39%	0.392	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-42.7	174.4	-73.8	174.9	172.4	112.6	4.7	112.6	N510 T511 L516 H517 S518 E698	N510-R514 WeakPolarHBondContact O-CG 3.29Å; N510-R514 PolarHBondContact O-N 3.4Å; T511-R514 PolarHBondContact O-N 3.17Å; R514-L516 VanDerWaalsContact C-N 3.33Å; R514-L516 PolarHBondContact O-N 2.69Å; R514-H517 PolarHBondContact O-N 2.63Å; R514-H517 VanDerWaalsContact O-N 3.09Å; R514-S518 PolarHBondContact O-N 3.11Å; R514-S518 PolarHBondContact O-OG 2.69Å; R514-E698 IonicContact CZ-OE1 3.96Å; R514-E698 IonicContact CZ-OE2 3.43Å; R514-E698 IonicContact NE-OE1 3.46Å; R514-E698 PolarHBondContact NE-OE1 3.17Å; R514-E698 IonicContact NE-OE2 2.71Å; R514-E698 PolarHBondContact NE-OE2 2.63Å; R514-E698 IonicContact NH2-OE1 3.99Å; R514-E698 IonicContact NH2-OE2 3.68Å; R514-E698 PolarHBondContact NH2-OE2 2.88Å
515	L	98.4	Very high	98	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-35.9	178.8	-68.3	170.5	0	0	0	112.2	A457 E458 L461 T511 F512 L513 H517 S518 H519	A457-L515 HydrophobicContact CB-CD1 4.02Å; E458-L515 HydrophobicContact CB-CD1 4.21Å; E458-L515 WeakPolarHBondContact OE2-CD2 3.39Å; L461-L515 HydrophobicContact CD2-CB 3.65Å; T511-L515 HydrophobicContact CG2-CD1 4.15Å; T511-L515 VanDerWaalsContact O-CG 3.3Å; T511-L515 WeakPolarHBondContact O-CG 3.47Å; T511-L515 PolarHBondContact O-N 2.7Å; F512-L515 PolarHBondContact O-N 3.46Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 2.98Å; L515-H517 VanDerWaalsContact C-N 3.34Å; L515-H517 PolarHBondContact O-N 2.89Å; L515-S518 WeakPolarHBondContact CA-OG 2.85Å; L515-S518 PolarHBondContact O-OG 2.75Å; L515-S518 VanDerWaalsContact O-OG 3.07Å; L515-H519 PolarHBondContact O-CD2 3.36Å; L515-H519 PolarHBondContact O-N 3.21Å
516	L	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-44.5	169.9	-72.3	171.2	0	0	0	111.5	M423 L461 C495 L497 F512 L513 R514 H519 R520 I521	M423-L516 HydrophobicContact CE-CD2 4.49Å; L461-L516 HydrophobicContact CD1-CD2 3.61Å; L461-L516 HydrophobicContact CD1-CG 4.47Å; C495-L516 HydrophobicContact CB-CD1 3.78Å; C495-L516 HydrophobicContact CB-CD2 3.57Å; C495-L516 HydrophobicContact CB-CG 4.33Å; L497-L516 HydrophobicContact CD1-CD1 4.24Å; F512-L516 HydrophobicContact CD1-CD1 4.02Å; F512-L516 HydrophobicContact CD1-CG 4.32Å; F512-L516 HydrophobicContact CE1-CD1 3.79Å; F512-L516 HydrophobicContact CE1-CD2 4.35Å; F512-L516 HydrophobicContact CE1-CG 4.03Å; F512-L516 WeakPolarHBondContact O-CG 3.32Å; F512-L516 PolarHBondContact O-N 3.06Å; F512-L516 VanDerWaalsContact O-N 3.1Å; L513-L516 HydrophobicContact CD2-CD1 4.45Å; L513-L516 WeakPolarHBondContact O-CB 3.33Å; L513-L516 PolarHBondContact O-N 3.08Å; R514-L516 VanDerWaalsContact C-N 3.33Å; R514-L516 PolarHBondContact O-N 2.69Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 3.48Å; L516-R520 PolarHBondContact O-N 2.66Å; L516-I521 CarbonylContact C-O 3.6Å; L516-I521 HydrophobicContact CB-CB 4.36Å; L516-I521 HydrophobicContact CD2-CB 4.12Å; L516-I521 HydrophobicContact CD2-CD1 4.29Å; L516-I521 HydrophobicContact CD2-CG2 3.97Å; L516-I521 WeakPolarHBondContact O-CA 3.29Å; L516-I521 WeakPolarHBondContact O-CB 3.44Å; L516-I521 PolarHBondContact O-N 2.96Å
517	H	98.3	Very high	98	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-71.4	-38.1	-177.9	-58	143.4	0	0	0	113.4	L513 R514 L515 H519 R520 I521 S523 P540 F690 Q691 V694	L513-H517 PolarHBondContact O-N 3.49Å; L513-H517 PolarHBondContact O-ND1 3.04Å; R514-H517 PolarHBondContact O-N 2.63Å; R514-H517 VanDerWaalsContact O-N 3.09Å; L515-H517 VanDerWaalsContact C-N 3.34Å; L515-H517 PolarHBondContact O-N 2.89Å; H517-H519 PolarHBondContact O-N 3.45Å; H517-R520 WeakPolarHBondContact O-CA 3.49Å; H517-R520 PolarHBondContact O-N 3.29Å; H517-I521 PolarHBondContact CD2-O 3.42Å; H517-S523 PolarHBondContact CE1-OG 3.1Å; H517-S523 PolarHBondContact NE2-OG 3.45Å; H517-P540 PolarHBondContact CE1-O 2.93Å; H517-P540 VanDerWaalsContact CE1-O 3.23Å; H517-F690 AromaticContact CD2-CE1 3.66Å; H517-F690 AromaticContact NE2-CE1 3.64Å; H517-F690 AromaticContact NE2-CZ 3.71Å; H517-Q691 PolarHBondContact O-OE1 3.41Å; H517-V694 HydrophobicContact CB-CG1 3.87Å
518	S	97.3	Very high	97.8	Very high	69 Å²	69	29.4 Å²	29.4	48%	0.483	15%	0.145	S	C	.	.	H	α-helix	trans	-63.5	-27.7	173.3	62.7	0	0	0	0	112.6	R514 L515 R520	R514-S518 PolarHBondContact O-N 3.11Å; R514-S518 PolarHBondContact O-OG 2.69Å; L515-S518 WeakPolarHBondContact CA-OG 2.85Å; L515-S518 PolarHBondContact O-OG 2.75Å; L515-S518 VanDerWaalsContact O-OG 3.07Å; S518-R520 VanDerWaalsContact C-N 3.28Å
519	H	97.4	Very high	97.6	Very high	103 Å²	103	26.7 Å²	26.7	48%	0.477	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	7.7	169.3	-76.4	-69.2	0	0	0	114.2	L515 L516 H517 I521	L515-H519 PolarHBondContact O-CD2 3.36Å; L515-H519 PolarHBondContact O-N 3.21Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 3.48Å; H517-H519 PolarHBondContact O-N 3.45Å; H519-I521 VanDerWaalsContact C-N 3.26Å; H519-I521 HydrophobicContact CB-CD1 4.04Å; H519-I521 HydrophobicContact CB-CG1 4.03Å; H519-I521 PolarHBondContact O-N 2.84Å
520	R	97.8	Very high	97.6	Very high	88 Å²	88	26.2 Å²	26.2	33%	0.332	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	38.7	-173	-66.7	-174.1	75.9	96.5	-9.5	113.9	L516 H517 S518 D688 Q691 D692	L516-R520 PolarHBondContact O-N 2.66Å; H517-R520 WeakPolarHBondContact O-CA 3.49Å; H517-R520 PolarHBondContact O-N 3.29Å; S518-R520 VanDerWaalsContact C-N 3.28Å; R520-D688 IonicContact CZ-OD1 3.24Å; R520-D688 IonicContact NE-OD1 3.29Å; R520-D688 PolarHBondContact NH2-O 3.09Å; R520-D688 IonicContact NH2-OD1 3.63Å; R520-D688 PolarHBondContact NH2-OD1 3.45Å; R520-Q691 HydrophobicContact CB-CG 4.02Å; R520-Q691 HydrophobicContact CG-CB 4.23Å; R520-Q691 HydrophobicContact CG-CG 4.12Å; R520-Q691 VanDerWaalsContact CZ-CB 3.46Å; R520-Q691 PolarHBondContact O-NE2 3.45Å; R520-D692 IonicContact CZ-OD1 2.72Å; R520-D692 VanDerWaalsContact CZ-OD1 3.29Å; R520-D692 IonicContact NH1-OD1 3.59Å; R520-D692 PolarHBondContact NH1-OD1 3.38Å; R520-D692 IonicContact NH2-OD1 3.29Å; R520-D692 PolarHBondContact NH2-OD1 3.22Å
521	I	98.6	Very high	97.5	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-101.5	124.5	173.8	-52.2	179.4	0	0	0	108.8	L465 K493 C495 L516 H517 H519 Q691	L465-I521 HydrophobicContact CD1-CD1 4.36Å; L465-I521 HydrophobicContact CD2-CD1 3.77Å; K493-I521 WeakPolarHBondContact O-CA 3.45Å; C495-I521 HydrophobicContact CB-CG2 3.81Å; L516-I521 CarbonylContact C-O 3.6Å; L516-I521 HydrophobicContact CB-CB 4.36Å; L516-I521 HydrophobicContact CD2-CB 4.12Å; L516-I521 HydrophobicContact CD2-CD1 4.29Å; L516-I521 HydrophobicContact CD2-CG2 3.97Å; L516-I521 WeakPolarHBondContact O-CA 3.29Å; L516-I521 WeakPolarHBondContact O-CB 3.44Å; L516-I521 PolarHBondContact O-N 2.96Å; H517-I521 PolarHBondContact CD2-O 3.42Å; H519-I521 VanDerWaalsContact C-N 3.26Å; H519-I521 HydrophobicContact CB-CD1 4.04Å; H519-I521 HydrophobicContact CB-CG1 4.03Å; H519-I521 PolarHBondContact O-N 2.84Å; I521-Q691 PolarHBondContact O-NE2 3.38Å
522	S	98.6	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.8	179.4	62.9	0	0	0	0	111.8	K493 H494 C495 F524 T542	K493-S522 PolarHBondContact O-N 2.86Å; K493-S522 PolarHBondContact O-OG 3.37Å; H494-S522 PolarHBondContact ND1-OG 3.21Å; C495-S522 PolarHBondContact N-O 3.08Å; S522-F524 VanDerWaalsContact OG-CE2 3.27Å; S522-F524 WeakPolarHBondContact OG-CE2 3.32Å; S522-T542 WeakPolarHBondContact CA-OG1 3.17Å; S522-T542 WeakPolarHBondContact CB-OG1 3.39Å
523	S	98.6	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.7	-174.1	59.9	0	0	0	0	113.5	H517 V541 T542 Q543	H517-S523 PolarHBondContact CE1-OG 3.1Å; H517-S523 PolarHBondContact NE2-OG 3.45Å; S523-V541 WeakPolarHBondContact OG-CA 3.22Å; S523-V541 WeakPolarHBondContact OG-CB 3.46Å; S523-T542 PolarHBondContact N-OG1 2.82Å; S523-T542 WeakPolarHBondContact O-CB 3.34Å; S523-T542 PolarHBondContact O-N 3.37Å; S523-T542 VanDerWaalsContact O-N 3.14Å; S523-T542 PolarHBondContact OG-N 2.97Å; S523-Q543 PolarHBondContact O-N 2.96Å; S523-Q543 VanDerWaalsContact O-N 3.15Å
524	F	98.6	Very high	97.3	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	95.4	176.9	-61.6	-83.6	0	0	0	109.4	I417 H494 C495 L497 S522 Q543 Y545 I685 Y687	I417-F524 HydrophobicContact CD1-CD1 3.87Å; I417-F524 HydrophobicContact CD1-CD2 4.03Å; I417-F524 HydrophobicContact CD1-CE1 3.43Å; I417-F524 VanDerWaalsContact CD1-CE1 3.43Å; I417-F524 HydrophobicContact CD1-CE2 3.58Å; I417-F524 HydrophobicContact CD1-CG 4.15Å; I417-F524 HydrophobicContact CD1-CZ 3.25Å; I417-F524 HydrophobicContact CG1-CE1 4.13Å; I417-F524 HydrophobicContact CG1-CE2 4.06Å; I417-F524 HydrophobicContact CG1-CZ 3.61Å; H494-F524 HydrophobicContact CB-CD2 4.36Å; H494-F524 HydrophobicContact CB-CE2 3.94Å; C495-F524 PolarHBondContact O-N 3.2Å; L497-F524 PolarHBondContact N-O 3.4Å; S522-F524 VanDerWaalsContact OG-CE2 3.27Å; S522-F524 WeakPolarHBondContact OG-CE2 3.32Å; F524-Q543 WeakPolarHBondContact CA-O 3.45Å; F524-Q543 HydrophobicContact CD1-CB 3.82Å; F524-Q543 HydrophobicContact CE1-CB 3.95Å; F524-Y545 HydrophobicContact CD1-CE2 4.22Å; F524-I685 HydrophobicContact CE1-CD1 3.94Å; F524-I685 HydrophobicContact CZ-CD1 4.22Å; F524-Y687 HydrophobicContact CE2-CE1 4.41Å; F524-Y687 AromaticContact CZ-CE1 3.87Å; F524-Y687 HydrophobicContact CZ-CE1 3.87Å
525	L	98.4	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.8	-176.6	-169	151.4	0	0	0	111	L497 P503 I504 I509 L513 L538 Q543 L544 Y545	L497-L525 HydrophobicContact CB-CB 4.46Å; L497-L525 HydrophobicContact CB-CG 4.43Å; L497-L525 HydrophobicContact CD1-CB 4.46Å; L497-L525 HydrophobicContact CD1-CD1 4.29Å; P503-L525 HydrophobicContact CB-CG 4.43Å; I504-L525 HydrophobicContact CB-CD2 4.39Å; I504-L525 HydrophobicContact CD1-CD2 4.44Å; I504-L525 HydrophobicContact CG1-CD2 4.39Å; I509-L525 HydrophobicContact CD1-CD1 3.86Å; I509-L525 HydrophobicContact CG1-CD1 3.82Å; L513-L525 HydrophobicContact CD1-CD1 4.35Å; L525-L538 HydrophobicContact CD1-CD1 4.26Å; L525-L538 HydrophobicContact CD1-CD2 4.31Å; L525-Q543 PolarHBondContact N-O 2.99Å; L525-L544 HydrophobicContact CB-CD1 4.06Å; L525-L544 HydrophobicContact CD2-CD1 3.65Å; L525-L544 HydrophobicContact CG-CD1 4.41Å; L525-Y545 WeakPolarHBondContact O-CB 3.27Å; L525-Y545 PolarHBondContact O-N 3.11Å
526	V	97.4	Very high	97.2	Very high	12 Å²	12	26.9 Å²	26.9	7%	0.073	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.6	176.1	-177.8	0	0	0	0	110.4	L497 S498 P503 Y545	L497-V526 PolarHBondContact O-N 3.46Å; S498-V526 VanDerWaalsContact CB-CG2 3.49Å; P503-V526 WeakPolarHBondContact CD-O 3.28Å; V526-Y545 HydrophobicContact CG2-CD2 4.2Å; V526-Y545 HydrophobicContact CG2-CG 3.94Å
527	T	95.7	Very high	97.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.1	176.7	-170.5	0	0	0	0	112.5	E502 I535 Y545 V546 S547	E502-T527 WeakPolarHBondContact OE1-CA 3.42Å; E502-T527 WeakPolarHBondContact OE1-CB 3.48Å; E502-T527 PolarHBondContact OE1-OG1 3.49Å; E502-T527 WeakPolarHBondContact OE2-CA 3.37Å; E502-T527 PolarHBondContact OE2-OG1 3.04Å; T527-I535 HydrophobicContact CG2-CD1 4.05Å; T527-I535 HydrophobicContact CG2-CG1 4.37Å; T527-Y545 WeakPolarHBondContact CG2-O 3.44Å; T527-Y545 PolarHBondContact N-O 3.47Å; T527-V546 HydrophobicContact CG2-CG2 4.05Å; T527-S547 PolarHBondContact O-N 3.11Å; T527-S547 PolarHBondContact O-OG 3.1Å
528	N	91.9	Very high	97	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.07	16%	0.157	C	C	.	.			trans	-88.3	4.9	176.3	68.4	26.2	0	0	0	114.6	C431 E502 Q530	C431-N528 PolarHBondContact SG-ND2 3.42Å; C431-N528 VanDerWaalsContact SG-ND2 3.42Å; E502-N528 WeakPolarHBondContact OE2-CB 3.19Å; E502-N528 PolarHBondContact OE2-N 3.38Å; E502-N528 PolarHBondContact OE2-ND2 3.36Å; E502-N528 PolarHBondContact OE2-OD1 3.1Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.29Å; N528-Q530 WeakPolarHBondContact OD1-CG 3.34Å; N528-Q530 PolarHBondContact OD1-N 3.43Å; N528-Q530 VanDerWaalsContact OD1-N 3.12Å
529	A	94.8	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	55	52.9	-179.4	0	0	0	0	0	114.3	V546 F571 C574	A529-V546 HydrophobicContact CB-CG1 3.45Å; A529-V546 VanDerWaalsContact CB-CG1 3.45Å; A529-V546 HydrophobicContact CB-CG2 4.33Å; A529-F571 HydrophobicContact CB-CD2 3.74Å; A529-F571 HydrophobicContact CB-CE2 4.19Å; A529-F571 VanDerWaalsContact O-CA 3.27Å; A529-F571 WeakPolarHBondContact O-CA 3.45Å; A529-C574 VanDerWaalsContact CA-SG 3.59Å; A529-C574 HydrophobicContact CB-CB 3.43Å; A529-C574 VanDerWaalsContact CB-CB 3.43Å; A529-C574 PolarHBondContact O-SG 3.2Å
530	Q	96.3	Very high	97	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.12	C	C	.	.			trans	-116	-1.9	166.4	-63.7	-64.7	-79.5	0	0	114.1	A432 N433 N528 P532 F564 F567 R570	A432-Q530 HydrophobicContact CB-CB 4.36Å; N433-Q530 VanDerWaalsContact OD1-CG 3.32Å; N433-Q530 WeakPolarHBondContact OD1-CG 3.14Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.29Å; N528-Q530 WeakPolarHBondContact OD1-CG 3.34Å; N528-Q530 PolarHBondContact OD1-N 3.43Å; N528-Q530 VanDerWaalsContact OD1-N 3.12Å; Q530-P532 WeakPolarHBondContact O-CD 3.35Å; Q530-F564 HydrophobicContact CB-CD2 3.74Å; Q530-F564 HydrophobicContact CB-CE2 3.73Å; Q530-F564 HydrophobicContact CG-CD2 4.16Å; Q530-F567 PolarHBondContact NE2-O 3.28Å; Q530-F567 VanDerWaalsContact OE1-CA 3.27Å; Q530-R570 WeakPolarHBondContact O-CD 3.39Å; Q530-R570 PolarHBondContact O-NH1 3.35Å
531	F	96.8	Very high	97	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.018	11%	0.105	C	C	.	.			trans	-126.9	70.9	-167.3	-69.5	-78.1	0	0	0	110.6	A432 E502 I504 M505 E534 I535 F564 C574	A432-F531 HydrophobicContact CB-CE2 3.61Å; A432-F531 HydrophobicContact CB-CZ 3.91Å; E502-F531 HydrophobicContact CG-CD2 3.89Å; E502-F531 HydrophobicContact CG-CE2 3.75Å; I504-F531 HydrophobicContact CG2-CB 3.62Å; I504-F531 HydrophobicContact CG2-CD2 4.02Å; I504-F531 HydrophobicContact CG2-CG 3.97Å; M505-F531 HydrophobicContact CB-CE2 4.48Å; M505-F531 HydrophobicContact CB-CZ 4.23Å; M505-F531 HydrophobicContact CG-CE1 4.06Å; M505-F531 HydrophobicContact CG-CZ 3.83Å; M505-F531 HydrophobicContact SD-CZ 3.91Å; F531-E534 WeakPolarHBondContact CA-OE2 3.15Å; F531-E534 HydrophobicContact CB-CB 4.02Å; F531-E534 HydrophobicContact CB-CG 4.15Å; F531-E534 VanDerWaalsContact CB-OE2 3.25Å; F531-E534 WeakPolarHBondContact CB-OE2 3.46Å; F531-E534 HydrophobicContact CD1-CG 4.36Å; F531-I535 WeakPolarHBondContact O-CG1 3.22Å; F531-I535 PolarHBondContact O-N 2.95Å; F531-I535 VanDerWaalsContact O-N 3.08Å; F531-F564 HydrophobicContact CE1-CE2 4.27Å; F531-F564 AromaticContact CE1-CZ 3.98Å; F531-F564 HydrophobicContact CE1-CZ 3.98Å; F531-F564 HydrophobicContact CE2-CE2 4.33Å; F531-F564 AromaticContact CZ-CE2 3.99Å; F531-F564 HydrophobicContact CZ-CE2 3.99Å; F531-F564 HydrophobicContact CZ-CZ 4.11Å; F531-C574 PolarHBondContact N-SG 2.82Å
532	P	97.3	Very high	97	Very high	11 Å²	11	21.1 Å²	21.1	7%	0.071	10%	0.104	C	C	.	.	H	α-helix	trans	-71.4	-35.6	-170.2	27.2	-33.7	0	0	0	112.9	Q530 I535 R536 D573 C574	Q530-P532 WeakPolarHBondContact O-CD 3.35Å; P532-I535 WeakPolarHBondContact O-CB 3.45Å; P532-I535 PolarHBondContact O-N 3.29Å; P532-R536 WeakPolarHBondContact O-CG 3.45Å; P532-R536 PolarHBondContact O-N 3.32Å; P532-D573 HydrophobicContact CB-CB 4.13Å; P532-C574 VanDerWaalsContact CA-SG 3.56Å; P532-C574 VanDerWaalsContact N-SG 3.41Å
533	E	97.1	Very high	97	Very high	97 Å²	97	21.1 Å²	21.1	45%	0.453	10%	0.104	S	C	.	.	H	α-helix	trans	-71.2	-35.8	178.5	-66.4	-53.6	109.9	0	0	111.2	I535 R536 N537	E533-I535 VanDerWaalsContact C-N 3.33Å; E533-R536 PolarHBondContact O-N 3.31Å; E533-R536 IonicContact OE1-CZ 2.64Å; E533-R536 IonicContact OE1-NH1 2.96Å; E533-R536 PolarHBondContact OE1-NH1 2.59Å; E533-N537 VanDerWaalsContact O-CB 3.3Å; E533-N537 WeakPolarHBondContact O-CB 3.37Å; E533-N537 PolarHBondContact O-N 2.72Å; E533-N537 PolarHBondContact O-ND2 2.93Å
534	E	96.9	Very high	97	Very high	74 Å²	74	21.3 Å²	21.3	35%	0.346	11%	0.105	S	C	.	.	H	α-helix	trans	-67.8	-35.4	174.5	-58.6	78.3	175.9	0	0	110.9	I504 F531 L538	I504-E534 HydrophobicContact CD1-CB 4.03Å; I504-E534 HydrophobicContact CG1-CB 4.02Å; I504-E534 HydrophobicContact CG2-CB 4.23Å; F531-E534 WeakPolarHBondContact CA-OE2 3.15Å; F531-E534 HydrophobicContact CB-CB 4.02Å; F531-E534 HydrophobicContact CB-CG 4.15Å; F531-E534 VanDerWaalsContact CB-OE2 3.25Å; F531-E534 WeakPolarHBondContact CB-OE2 3.46Å; F531-E534 HydrophobicContact CD1-CG 4.36Å; E534-L538 WeakPolarHBondContact O-CB 3.44Å; E534-L538 PolarHBondContact O-N 3.41Å; E534-L538 VanDerWaalsContact O-N 3.09Å
535	I	97.8	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-52.2	167.9	-68.8	169.2	0	0	0	110.1	I504 T527 F531 P532 E533 N537 L538 L544 C574 A577 K581	I504-I535 HydrophobicContact CD1-CB 4.4Å; I504-I535 HydrophobicContact CD1-CG1 3.64Å; T527-I535 HydrophobicContact CG2-CD1 4.05Å; T527-I535 HydrophobicContact CG2-CG1 4.37Å; F531-I535 WeakPolarHBondContact O-CG1 3.22Å; F531-I535 PolarHBondContact O-N 2.95Å; F531-I535 VanDerWaalsContact O-N 3.08Å; P532-I535 WeakPolarHBondContact O-CB 3.45Å; P532-I535 PolarHBondContact O-N 3.29Å; E533-I535 VanDerWaalsContact C-N 3.33Å; I535-N537 PolarHBondContact O-N 3.01Å; I535-L538 VanDerWaalsContact O-CB 3.26Å; I535-L538 WeakPolarHBondContact O-CB 3.48Å; I535-L538 PolarHBondContact O-N 3.23Å; I535-L538 VanDerWaalsContact O-N 3.12Å; I535-L544 HydrophobicContact CG2-CD2 4.35Å; I535-C574 HydrophobicContact CD1-CB 3.58Å; I535-A577 HydrophobicContact CB-CB 4.19Å; I535-A577 HydrophobicContact CG2-CB 3.72Å; I535-K581 WeakPolarHBondContact O-CE 3.47Å; I535-K581 PolarHBondContact O-NZ 3Å
536	R	97	Very high	96.9	Very high	73 Å²	73	21.2 Å²	21.2	28%	0.275	11%	0.105	S	C	.	.	H	α-helix	trans	-55.8	-48.4	179.7	-73.3	-176	177	106.2	8.6	112.2	P532 E533 L538 D573 A577 E580 K581	P532-R536 WeakPolarHBondContact O-CG 3.45Å; P532-R536 PolarHBondContact O-N 3.32Å; E533-R536 PolarHBondContact O-N 3.31Å; E533-R536 IonicContact OE1-CZ 2.64Å; E533-R536 IonicContact OE1-NH1 2.96Å; E533-R536 PolarHBondContact OE1-NH1 2.59Å; R536-L538 VanDerWaalsContact C-N 3.26Å; R536-L538 PolarHBondContact O-N 2.95Å; R536-D573 IonicContact CZ-OD2 2.9Å; R536-D573 IonicContact NH1-OD2 2.69Å; R536-D573 PolarHBondContact NH1-OD2 3.48Å; R536-D573 IonicContact NH2-OD1 3.55Å; R536-D573 PolarHBondContact NH2-OD1 3.4Å; R536-D573 VanDerWaalsContact NH2-OD1 3.14Å; R536-D573 IonicContact NH2-OD2 3.41Å; R536-D573 PolarHBondContact NH2-OD2 2.82Å; R536-D573 VanDerWaalsContact NH2-OD2 3.12Å; R536-A577 HydrophobicContact CG-CB 3.72Å; R536-E580 IonicContact CZ-OE2 3.08Å; R536-E580 IonicContact NE-OE2 2.65Å; R536-E580 PolarHBondContact NE-OE2 3.39Å; R536-E580 VanDerWaalsContact NE-OE2 3.11Å; R536-E580 IonicContact NH2-OE1 2.73Å; R536-E580 IonicContact NH2-OE2 2.72Å; R536-K581 PolarHBondContact O-NZ 3.08Å
537	N	96.7	Very high	96.7	Very high	111 Å²	111	21.2 Å²	21.2	59%	0.594	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.8	-179.3	-68.8	-64.3	0	0	0	114.5	N510 E533 I535 V539	N510-N537 PolarHBondContact ND2-O 2.92Å; E533-N537 VanDerWaalsContact O-CB 3.3Å; E533-N537 WeakPolarHBondContact O-CB 3.37Å; E533-N537 PolarHBondContact O-N 2.72Å; E533-N537 PolarHBondContact O-ND2 2.93Å; I535-N537 PolarHBondContact O-N 3.01Å; N537-V539 PolarHBondContact O-N 2.91Å
538	L	97.2	Very high	96.6	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-65.5	128.5	178	-155.2	74.9	0	0	0	111.8	I504 I509 N510 L513 L525 E534 I535 R536 V541 L544 K581	I504-L538 HydrophobicContact CD1-CD1 4.23Å; I504-L538 HydrophobicContact CG1-CD1 4.02Å; I509-L538 HydrophobicContact CG1-CD1 4.24Å; I509-L538 HydrophobicContact CG2-CD1 4.19Å; N510-L538 WeakPolarHBondContact OD1-CA 3.45Å; L513-L538 HydrophobicContact CD1-CD1 3.68Å; L513-L538 HydrophobicContact CD1-CD2 4.35Å; L513-L538 HydrophobicContact CD1-CG 3.9Å; L525-L538 HydrophobicContact CD1-CD1 4.26Å; L525-L538 HydrophobicContact CD1-CD2 4.31Å; E534-L538 WeakPolarHBondContact O-CB 3.44Å; E534-L538 PolarHBondContact O-N 3.41Å; E534-L538 VanDerWaalsContact O-N 3.09Å; I535-L538 VanDerWaalsContact O-CB 3.26Å; I535-L538 WeakPolarHBondContact O-CB 3.48Å; I535-L538 PolarHBondContact O-N 3.23Å; I535-L538 VanDerWaalsContact O-N 3.12Å; R536-L538 VanDerWaalsContact C-N 3.26Å; R536-L538 PolarHBondContact O-N 2.95Å; L538-V541 HydrophobicContact CD2-CG1 3.84Å; L538-V541 HydrophobicContact CG-CG1 4.38Å; L538-L544 HydrophobicContact CD2-CD1 3.77Å; L538-L544 HydrophobicContact CD2-CD2 4.01Å; L538-K581 PolarHBondContact O-NZ 3.33Å
539	V	96.9	Very high	96.3	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.115	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-60.2	163.8	169.7	-64.3	0	0	0	0	111.3	N510 L513 N537 V541	N510-V539 HydrophobicContact CB-CG1 3.93Å; N510-V539 HydrophobicContact CB-CG2 4.27Å; N510-V539 PolarHBondContact OD1-N 2.65Å; L513-V539 HydrophobicContact CB-CG2 3.7Å; L513-V539 HydrophobicContact CD1-CG2 3.8Å; L513-V539 HydrophobicContact CG-CG2 4.42Å; N537-V539 PolarHBondContact O-N 2.91Å; V539-V541 PolarHBondContact O-N 3.41Å
540	P	97.3	Very high	95.9	Very high	11 Å²	11	20.8 Å²	20.8	7%	0.071	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-49.6	133.4	174.2	-31.7	39.4	0	0	0	112.8	H517 Q583 V694 F706	H517-P540 PolarHBondContact CE1-O 2.93Å; H517-P540 VanDerWaalsContact CE1-O 3.23Å; P540-Q583 HydrophobicContact CB-CG 3.86Å; P540-V694 HydrophobicContact CB-CG2 4.17Å; P540-F706 HydrophobicContact CB-CE1 4.13Å; P540-F706 HydrophobicContact CB-CZ 3.84Å; P540-F706 HydrophobicContact CG-CE1 4.36Å
541	V	97.3	Very high	95.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.024	10%	0.104	C	C	.	.			trans	-121.1	161.1	171.3	-60.2	0	0	0	0	109.7	L513 S523 L538 V539 Q543 L544 Q583	L513-V541 HydrophobicContact CD1-CG1 3.57Å; L513-V541 HydrophobicContact CD2-CG1 3.71Å; L513-V541 HydrophobicContact CG-CG1 4.22Å; S523-V541 WeakPolarHBondContact OG-CA 3.22Å; S523-V541 WeakPolarHBondContact OG-CB 3.46Å; L538-V541 HydrophobicContact CD2-CG1 3.84Å; L538-V541 HydrophobicContact CG-CG1 4.38Å; V539-V541 PolarHBondContact O-N 3.41Å; V541-Q543 VanDerWaalsContact C-N 3.35Å; V541-L544 HydrophobicContact CG2-CB 3.64Å; V541-L544 HydrophobicContact CG2-CD1 4.5Å; V541-Q583 WeakPolarHBondContact O-CB 3.43Å; V541-Q583 WeakPolarHBondContact O-CG 3.42Å
542	T	98.4	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-65.8	-42.2	178.8	-45.6	0	0	0	0	110.9	S522 S523 I685 Y687 F690 Y711	S522-T542 WeakPolarHBondContact CA-OG1 3.17Å; S522-T542 WeakPolarHBondContact CB-OG1 3.39Å; S523-T542 PolarHBondContact N-OG1 2.82Å; S523-T542 WeakPolarHBondContact O-CB 3.34Å; S523-T542 PolarHBondContact O-N 3.37Å; S523-T542 VanDerWaalsContact O-N 3.14Å; S523-T542 PolarHBondContact OG-N 2.97Å; T542-I685 HydrophobicContact CG2-CD1 4.32Å; T542-I685 HydrophobicContact CG2-CG2 3.93Å; T542-Y687 HydrophobicContact CG2-CE1 4.41Å; T542-F690 VanDerWaalsContact CA-CE2 3.5Å; T542-F690 HydrophobicContact CG2-CB 4.45Å; T542-F690 HydrophobicContact CG2-CD1 3.98Å; T542-F690 HydrophobicContact CG2-CD2 4.01Å; T542-F690 HydrophobicContact CG2-CE1 4.34Å; T542-F690 HydrophobicContact CG2-CE2 4.34Å; T542-F690 HydrophobicContact CG2-CG 3.84Å; T542-F690 WeakPolarHBondContact OG1-CD1 3.38Å; T542-F690 WeakPolarHBondContact OG1-CE1 3.42Å; T542-F690 VanDerWaalsContact OG1-CZ 3.27Å; T542-F690 WeakPolarHBondContact OG1-CZ 3.48Å; T542-Y711 HydrophobicContact CG2-CE2 4.12Å; T542-Y711 WeakPolarHBondContact O-CE2 3.42Å; T542-Y711 PolarHBondContact O-OH 3.08Å
543	Q	98.7	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	126.4	171.1	-171.7	162.8	-82.7	0	0	111.6	Y415 S523 F524 L525 V541 Y545 R584 V586	Y415-Q543 VanDerWaalsContact CE2-NE2 3.35Å; Y415-Q543 VanDerWaalsContact CZ-NE2 3.32Å; S523-Q543 PolarHBondContact O-N 2.96Å; S523-Q543 VanDerWaalsContact O-N 3.15Å; F524-Q543 WeakPolarHBondContact CA-O 3.45Å; F524-Q543 HydrophobicContact CD1-CB 3.82Å; F524-Q543 HydrophobicContact CE1-CB 3.95Å; L525-Q543 PolarHBondContact N-O 2.99Å; V541-Q543 VanDerWaalsContact C-N 3.35Å; Q543-Y545 HydrophobicContact CB-CE2 4.4Å; Q543-Y545 HydrophobicContact CG-CD2 4.46Å; Q543-Y545 HydrophobicContact CG-CE2 3.95Å; Q543-Y545 PolarHBondContact NE2-OH 3.15Å; Q543-Y545 VanDerWaalsContact NE2-OH 3.11Å; Q543-R584 CarbonylContact C-O 3.53Å; Q543-R584 WeakPolarHBondContact CA-O 3.32Å; Q543-R584 HydrophobicContact CB-CB 4.14Å; Q543-R584 HydrophobicContact CG-CB 3.91Å; Q543-V586 VanDerWaalsContact CD-CG2 3.49Å; Q543-V586 HydrophobicContact CG-CG2 3.4Å; Q543-V586 VanDerWaalsContact CG-CG2 3.4Å
544	L	98.4	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.8	-179.3	-173.9	54.4	0	0	0	111	L525 I535 L538 V541 L578 K581 R584 T585 V586	L525-L544 HydrophobicContact CB-CD1 4.06Å; L525-L544 HydrophobicContact CD2-CD1 3.65Å; L525-L544 HydrophobicContact CG-CD1 4.41Å; I535-L544 HydrophobicContact CG2-CD2 4.35Å; L538-L544 HydrophobicContact CD2-CD1 3.77Å; L538-L544 HydrophobicContact CD2-CD2 4.01Å; V541-L544 HydrophobicContact CG2-CB 3.64Å; V541-L544 HydrophobicContact CG2-CD1 4.5Å; L544-L578 HydrophobicContact CB-CD1 4.1Å; L544-L578 HydrophobicContact CD2-CD1 3.51Å; L544-L578 HydrophobicContact CG-CD1 3.57Å; L544-K581 HydrophobicContact CD2-CG 4.34Å; L544-R584 PolarHBondContact N-O 3.25Å; L544-T585 CarbonylContact O-C 3.4Å; L544-T585 WeakPolarHBondContact O-CA 3.46Å; L544-V586 PolarHBondContact O-N 3.24Å
545	Y	98.4	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.9	-176.1	-76.5	-102.7	0	0	0	112.3	K411 Y415 F524 L525 V526 T527 Q543 V586 R588 E616	K411-Y545 WeakPolarHBondContact CE-OH 3.39Å; K411-Y545 PolarHBondContact NZ-OH 3.18Å; Y415-Y545 WeakPolarHBondContact CE2-OH 3.42Å; F524-Y545 HydrophobicContact CD1-CE2 4.22Å; L525-Y545 WeakPolarHBondContact O-CB 3.27Å; L525-Y545 PolarHBondContact O-N 3.11Å; V526-Y545 HydrophobicContact CG2-CD2 4.2Å; V526-Y545 HydrophobicContact CG2-CG 3.94Å; T527-Y545 WeakPolarHBondContact CG2-O 3.44Å; T527-Y545 PolarHBondContact N-O 3.47Å; Q543-Y545 HydrophobicContact CB-CE2 4.4Å; Q543-Y545 HydrophobicContact CG-CD2 4.46Å; Q543-Y545 HydrophobicContact CG-CE2 3.95Å; Q543-Y545 PolarHBondContact NE2-OH 3.15Å; Q543-Y545 VanDerWaalsContact NE2-OH 3.11Å; Y545-V586 WeakPolarHBondContact CA-O 3.4Å; Y545-V586 HydrophobicContact CD1-CB 3.61Å; Y545-V586 HydrophobicContact CD1-CG1 3.68Å; Y545-V586 HydrophobicContact CD1-CG2 4.22Å; Y545-V586 HydrophobicContact CD2-CG2 4.44Å; Y545-V586 HydrophobicContact CE1-CB 3.75Å; Y545-V586 HydrophobicContact CE1-CG1 3.52Å; Y545-V586 HydrophobicContact CE1-CG2 4Å; Y545-V586 HydrophobicContact CE2-CG2 4.22Å; Y545-V586 HydrophobicContact CG-CB 4Å; Y545-V586 HydrophobicContact CG-CG2 4.43Å; Y545-R588 HydrophobicContact CD1-CB 4.33Å; Y545-E616 VanDerWaalsContact CE1-CD 3.47Å; Y545-E616 WeakPolarHBondContact CE1-OE1 3.33Å; Y545-E616 PolarHBondContact OH-OE1 3.25Å
546	V	96.8	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.5	159.7	172.5	0	0	0	0	109.1	T527 A529 V548 L575 L578 V586 R588	T527-V546 HydrophobicContact CG2-CG2 4.05Å; A529-V546 HydrophobicContact CB-CG1 3.45Å; A529-V546 VanDerWaalsContact CB-CG1 3.45Å; A529-V546 HydrophobicContact CB-CG2 4.33Å; V546-V548 HydrophobicContact CG1-CG2 3.77Å; V546-L575 HydrophobicContact CG1-CD2 3.87Å; V546-L578 HydrophobicContact CB-CD2 4.37Å; V546-L578 HydrophobicContact CG2-CD1 4.17Å; V546-L578 HydrophobicContact CG2-CD2 3.98Å; V546-L578 HydrophobicContact CG2-CG 4.45Å; V546-V586 PolarHBondContact N-O 3.31Å; V546-R588 PolarHBondContact O-N 3.06Å
547	S	93.9	Very high	93.7	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.084	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.3	168.1	-44.8	0	0	0	0	109.3	T527 D549 R588	T527-S547 PolarHBondContact O-N 3.11Å; T527-S547 PolarHBondContact O-OG 3.1Å; S547-D549 VanDerWaalsContact CB-OD2 3.25Å; S547-D549 WeakPolarHBondContact CB-OD2 3.41Å; S547-R588 PolarHBondContact OG-NH2 3.1Å
548	V	93.1	Very high	93.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.			trans	-125.8	70.3	-175.1	179.9	0	0	0	0	107.1	V546 F571 L575 Y587 R588 L589 Y603 L606	V546-V548 HydrophobicContact CG1-CG2 3.77Å; V548-F571 HydrophobicContact CG1-CZ 4.11Å; V548-F571 HydrophobicContact CG2-CE2 4.47Å; V548-F571 HydrophobicContact CG2-CZ 4.34Å; V548-L575 HydrophobicContact CG2-CD2 4.27Å; V548-Y587 HydrophobicContact CG2-CD1 4.3Å; V548-Y587 HydrophobicContact CG2-CD2 3.97Å; V548-Y587 HydrophobicContact CG2-CG 3.87Å; V548-R588 PolarHBondContact N-O 3.41Å; V548-L589 HydrophobicContact CB-CD1 4.18Å; V548-L589 HydrophobicContact CB-CG 4.3Å; V548-L589 HydrophobicContact CG1-CG 4.42Å; V548-L589 WeakPolarHBondContact O-CA 3.28Å; V548-Y603 HydrophobicContact CG1-CD1 4.15Å; V548-Y603 HydrophobicContact CG1-CE1 3.98Å; V548-L606 HydrophobicContact CG1-CD1 4.2Å
549	D	84.6	Confident	92.5	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.027	14%	0.135	C	C	.	.			trans	-88.7	-4.7	-169.8	-60.2	-61.4	0	0	0	113.7	F437 S547 T590 N596	F437-D549 HydrophobicContact CE1-CB 3.72Å; F437-D549 HydrophobicContact CZ-CB 3.82Å; F437-D549 WeakPolarHBondContact CZ-OD2 3.46Å; S547-D549 VanDerWaalsContact CB-OD2 3.25Å; S547-D549 WeakPolarHBondContact CB-OD2 3.41Å; D549-T590 WeakPolarHBondContact OD1-CB 3.45Å; D549-T590 PolarHBondContact OD1-N 2.86Å; D549-T590 VanDerWaalsContact OD1-N 3.1Å; D549-T590 PolarHBondContact OD1-OG1 2.9Å; D549-N596 PolarHBondContact O-ND2 3.04Å
550	A	86.8	Confident	92	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.			trans	-149.3	147.8	172.6	0	0	0	0	0	110	L556 I559	A550-L556 HydrophobicContact CB-CB 4.04Å; A550-L556 HydrophobicContact CB-CD1 3.98Å; A550-I559 HydrophobicContact CB-CB 4.45Å; A550-I559 HydrophobicContact CB-CD1 4.08Å
551	S	89.3	Confident	91.6	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-104.7	-10.1	-176.4	70.8	0	0	0	0	115.6	W568 E599 A602	S551-W568 WeakPolarHBondContact O-CH2 3.5Å; S551-E599 WeakPolarHBondContact CB-OE2 3.21Å; S551-E599 PolarHBondContact N-OE2 3.36Å; S551-E599 WeakPolarHBondContact OG-CB 3.21Å; S551-E599 PolarHBondContact OG-OE2 3.36Å; S551-A602 VanDerWaalsContact OG-CB 3.3Å; S551-A602 WeakPolarHBondContact OG-CB 3.4Å
552	T	91.3	Very high	91.4	Very high	51 Å²	51	32.1 Å²	32.1	31%	0.313	15%	0.152	S	C	.	.	S	Bend	trans	-121.1	159.7	178.1	80.6	0	0	0	0	111.3	D554 S555 L556 A602	T552-D554 PolarHBondContact O-N 3.08Å; T552-D554 PolarHBondContact OG1-N 3.09Å; T552-S555 PolarHBondContact N-OG 3.2Å; T552-S555 PolarHBondContact O-N 3.14Å; T552-S555 PolarHBondContact O-OG 3.42Å; T552-S555 PolarHBondContact OG1-N 3.19Å; T552-S555 VanDerWaalsContact OG1-N 3.12Å; T552-S555 PolarHBondContact OG1-OG 2.89Å; T552-L556 VanDerWaalsContact O-CB 3.27Å; T552-L556 WeakPolarHBondContact O-CB 3.3Å; T552-L556 PolarHBondContact O-N 3.16Å; T552-A602 HydrophobicContact CG2-CB 4.2Å
553	K	93.3	Very high	91	Very high	108 Å²	108	35.2 Å²	35.2	47%	0.47	17%	0.168	S	C	.	.	H	α-helix	trans	-53	-40.4	175	-179.4	177.7	176.1	-171.1	0	112.9	K557 F567 W568	K553-K557 PolarHBondContact O-N 3.45Å; K553-F567 HydrophobicContact CG-CE2 4.03Å; K553-F567 HydrophobicContact CG-CZ 3.8Å; K553-W568 HydrophobicContact CB-CB 4.35Å; K553-W568 HydrophobicContact CB-CD2 3.69Å; K553-W568 HydrophobicContact CB-CE3 4.12Å; K553-W568 HydrophobicContact CB-CG 3.79Å; K553-W568 HydrophobicContact CD-CB 4.21Å; K553-W568 HydrophobicContact CD-CG 4.15Å; K553-W568 HydrophobicContact CG-CB 3.9Å; K553-W568 HydrophobicContact CG-CD2 4.23Å; K553-W568 HydrophobicContact CG-CG 3.84Å
554	D	91.3	Very high	90.8	Very high	101 Å²	101	36.4 Å²	36.4	54%	0.54	17%	0.173	S	C	.	.	H	α-helix	trans	-83.3	-36.8	-173.3	-72.5	-3	0	0	0	111.9	T552 L556 K558	T552-D554 PolarHBondContact O-N 3.08Å; T552-D554 PolarHBondContact OG1-N 3.09Å; D554-L556 VanDerWaalsContact C-N 3.32Å; D554-K558 WeakPolarHBondContact O-CB 3.09Å; D554-K558 VanDerWaalsContact O-CD 3.29Å; D554-K558 WeakPolarHBondContact O-CD 3.46Å; D554-K558 WeakPolarHBondContact O-CG 3.32Å; D554-K558 PolarHBondContact O-N 3.31Å; D554-K558 VanDerWaalsContact O-N 3.12Å
555	S	88.7	Confident	90.5	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-36.9	168.6	46.8	0	0	0	0	111	T552 K558 I559 E599	T552-S555 PolarHBondContact N-OG 3.2Å; T552-S555 PolarHBondContact O-N 3.14Å; T552-S555 PolarHBondContact O-OG 3.42Å; T552-S555 PolarHBondContact OG1-N 3.19Å; T552-S555 VanDerWaalsContact OG1-N 3.12Å; T552-S555 PolarHBondContact OG1-OG 2.89Å; S555-K558 PolarHBondContact O-N 3.39Å; S555-I559 VanDerWaalsContact O-CB 3.22Å; S555-I559 WeakPolarHBondContact O-CB 3.17Å; S555-I559 WeakPolarHBondContact O-CG1 3.26Å; S555-I559 PolarHBondContact O-N 3.13Å; S555-E599 WeakPolarHBondContact CB-OE1 3.4Å; S555-E599 PolarHBondContact OG-OE1 3.39Å; S555-E599 PolarHBondContact OG-OE2 2.76Å
556	L	90	Very high	90.4	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-40.7	174.6	-163.4	72	0	0	0	113	A550 T552 D554 K558 D560 R561 F567 W568 F571	A550-L556 HydrophobicContact CB-CB 4.04Å; A550-L556 HydrophobicContact CB-CD1 3.98Å; T552-L556 VanDerWaalsContact O-CB 3.27Å; T552-L556 WeakPolarHBondContact O-CB 3.3Å; T552-L556 PolarHBondContact O-N 3.16Å; D554-L556 VanDerWaalsContact C-N 3.32Å; L556-K558 VanDerWaalsContact C-N 3.33Å; L556-K558 PolarHBondContact O-N 2.97Å; L556-D560 HydrophobicContact CD1-CB 3.81Å; L556-D560 HydrophobicContact CG-CB 4.26Å; L556-D560 WeakPolarHBondContact O-CB 3.46Å; L556-D560 PolarHBondContact O-N 2.99Å; L556-R561 PolarHBondContact O-N 3.41Å; L556-F567 HydrophobicContact CB-CE2 4.44Å; L556-F567 HydrophobicContact CD2-CD2 4.01Å; L556-F567 HydrophobicContact CD2-CE2 4.37Å; L556-F567 HydrophobicContact CG-CD2 4.5Å; L556-W568 HydrophobicContact CB-CE3 4.45Å; L556-W568 HydrophobicContact CB-CZ3 4.45Å; L556-W568 HydrophobicContact CD2-CE3 3.77Å; L556-W568 HydrophobicContact CD2-CZ3 4.06Å; L556-F571 HydrophobicContact CD2-CB 4.04Å; L556-F571 HydrophobicContact CD2-CD1 4.15Å; L556-F571 HydrophobicContact CD2-CD2 4.09Å; L556-F571 HydrophobicContact CD2-CG 3.83Å
557	K	90.1	Very high	90.3	Very high	102 Å²	102	50.5 Å²	50.5	44%	0.443	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-41.7	172.7	-165.9	-174	-179	-169.5	0	111.1	D140 K553 R561 F567	D140-K557 IonicContact OD2-NZ 3.36Å; D140-K557 PolarHBondContact OD2-NZ 3.14Å; K553-K557 PolarHBondContact O-N 3.45Å; K557-R561 WeakPolarHBondContact O-CA 3Å; K557-R561 WeakPolarHBondContact O-CG 3.04Å; K557-R561 PolarHBondContact O-N 3.15Å; K557-F567 HydrophobicContact CB-CE2 4.35Å; K557-F567 HydrophobicContact CB-CZ 3.93Å; K557-F567 HydrophobicContact CG-CZ 4.4Å
558	K	85.8	Confident	90.5	Very high	136 Å²	136	52.2 Å²	52.2	59%	0.591	24%	0.242	S	C	*	.	H	α-helix	trans	-70.6	-48.9	-178.6	-69.7	164.1	-170.2	169.3	0	113.1	V436 D554 S555 L556 R561	V436-K558 WeakPolarHBondContact CG1-O 3.39Å; D554-K558 WeakPolarHBondContact O-CB 3.09Å; D554-K558 VanDerWaalsContact O-CD 3.29Å; D554-K558 WeakPolarHBondContact O-CD 3.46Å; D554-K558 WeakPolarHBondContact O-CG 3.32Å; D554-K558 PolarHBondContact O-N 3.31Å; D554-K558 VanDerWaalsContact O-N 3.12Å; S555-K558 PolarHBondContact O-N 3.39Å; L556-K558 VanDerWaalsContact C-N 3.33Å; L556-K558 PolarHBondContact O-N 2.97Å; K558-R561 PolarHBondContact O-NE 3.29Å
559	I	83	Confident	90.7	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-81.6	-51	-171.8	-67.8	173.9	0	0	0	110.7	C435 V436 F437 A550 S555 W595	C435-I559 CarbonylContact C-O 3.57Å; C435-I559 WeakPolarHBondContact CA-O 3.29Å; V436-I559 HydrophobicContact CG2-CB 4.41Å; V436-I559 HydrophobicContact CG2-CG2 4.13Å; V436-I559 PolarHBondContact N-O 2.91Å; F437-I559 HydrophobicContact CD1-CG2 3.98Å; F437-I559 HydrophobicContact CE1-CG2 3.67Å; A550-I559 HydrophobicContact CB-CB 4.45Å; A550-I559 HydrophobicContact CB-CD1 4.08Å; S555-I559 VanDerWaalsContact O-CB 3.22Å; S555-I559 WeakPolarHBondContact O-CB 3.17Å; S555-I559 WeakPolarHBondContact O-CG1 3.26Å; S555-I559 PolarHBondContact O-N 3.13Å; I559-W595 HydrophobicContact CD1-CE3 4.1Å; I559-W595 HydrophobicContact CG1-CE3 3.73Å; I559-W595 HydrophobicContact CG1-CZ3 4.01Å
560	D	85.9	Confident	91.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.2	-170.5	-108.9	47.2	0	0	0	113.9	N433 K434 C435 F437 L556	N433-D560 WeakPolarHBondContact CB-O 3.25Å; N433-D560 PolarHBondContact ND2-OD2 2.85Å; K434-D560 CarbonylContact C-O 3.52Å; K434-D560 PolarHBondContact N-O 3.38Å; C435-D560 WeakPolarHBondContact CA-O 3.28Å; C435-D560 PolarHBondContact N-O 3.2Å; C435-D560 VanDerWaalsContact N-O 3.13Å; C435-D560 PolarHBondContact SG-OD1 3.35Å; C435-D560 VanDerWaalsContact SG-OD1 3.39Å; C435-D560 PolarHBondContact SG-OD2 3.23Å; F437-D560 WeakPolarHBondContact CE1-OD1 3.14Å; L556-D560 HydrophobicContact CD1-CB 3.81Å; L556-D560 HydrophobicContact CG-CB 4.26Å; L556-D560 WeakPolarHBondContact O-CB 3.46Å; L556-D560 PolarHBondContact O-N 2.99Å
561	R	88.5	Confident	91.8	Very high	111 Å²	111	58.8 Å²	58.8	42%	0.419	28%	0.277	S	S	.	.			trans	47.3	54.4	178.9	-57.7	177.2	178.9	176.7	-3.6	112	K434 V436 L556 K557 K558	K434-R561 HydrophobicContact CB-CB 3.97Å; K434-R561 PolarHBondContact N-O 3.07Å; V436-R561 VanDerWaalsContact CG1-CZ 3.44Å; L556-R561 PolarHBondContact O-N 3.41Å; K557-R561 WeakPolarHBondContact O-CA 3Å; K557-R561 WeakPolarHBondContact O-CG 3.04Å; K557-R561 PolarHBondContact O-N 3.15Å; K558-R561 PolarHBondContact O-NE 3.29Å
562	P	92.4	Very high	92.2	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.123	29%	0.285	C	S	.	.			trans	-64.6	151	-179.4	28.7	-35.5	0	0	0	111.9	N433 F567	N433-P562 WeakPolarHBondContact OD1-CA 3.3Å; N433-P562 WeakPolarHBondContact OD1-CB 3.39Å; P562-F567 HydrophobicContact CB-CB 3.66Å; P562-F567 HydrophobicContact CB-CG 4.23Å; P562-F567 HydrophobicContact CG-CB 3.41Å; P562-F567 VanDerWaalsContact CG-CB 3.41Å; P562-F567 HydrophobicContact CG-CD1 4.11Å; P562-F567 HydrophobicContact CG-CD2 3.49Å; P562-F567 VanDerWaalsContact CG-CD2 3.49Å; P562-F567 HydrophobicContact CG-CE2 4.25Å; P562-F567 HydrophobicContact CG-CG 3.4Å
563	L	91.8	Very high	92.5	Very high	64 Å²	64	59.6 Å²	59.6	34%	0.335	28%	0.279	S	S	.	.	S	Bend	trans	-89.5	-16.5	-178.2	-67.4	174.4	0	0	0	114.5	A432 K434 V446 T448	A432-L563 VanDerWaalsContact O-CB 3.29Å; A432-L563 WeakPolarHBondContact O-CB 3.32Å; A432-L563 WeakPolarHBondContact O-CG 3.48Å; A432-L563 PolarHBondContact O-N 3.32Å; K434-L563 HydrophobicContact CD-CD2 4.26Å; V446-L563 HydrophobicContact CB-CD1 3.78Å; V446-L563 HydrophobicContact CG2-CD1 4.01Å; T448-L563 HydrophobicContact CG2-CB 3.91Å
564	F	93.1	Very high	92.7	Very high	26 Å²	26	54.5 Å²	54.5	11%	0.114	26%	0.257	C	S	.	.			trans	-74.7	137.6	175.4	-73.2	-79.7	0	0	0	110.9	A432 T448 Q530 F531 D566 F567 R570	A432-F564 HydrophobicContact CB-CD2 4.24Å; A432-F564 HydrophobicContact CB-CE2 3.8Å; T448-F564 HydrophobicContact CG2-CD1 4Å; T448-F564 HydrophobicContact CG2-CD2 4.05Å; T448-F564 HydrophobicContact CG2-CE1 3.81Å; T448-F564 HydrophobicContact CG2-CE2 3.87Å; T448-F564 HydrophobicContact CG2-CG 4.12Å; T448-F564 HydrophobicContact CG2-CZ 3.75Å; T448-F564 WeakPolarHBondContact O-CZ 3.17Å; Q530-F564 HydrophobicContact CB-CD2 3.74Å; Q530-F564 HydrophobicContact CB-CE2 3.73Å; Q530-F564 HydrophobicContact CG-CD2 4.16Å; F531-F564 HydrophobicContact CE1-CE2 4.27Å; F531-F564 AromaticContact CE1-CZ 3.98Å; F531-F564 HydrophobicContact CE1-CZ 3.98Å; F531-F564 HydrophobicContact CE2-CE2 4.33Å; F531-F564 AromaticContact CZ-CE2 3.99Å; F531-F564 HydrophobicContact CZ-CE2 3.99Å; F531-F564 HydrophobicContact CZ-CZ 4.11Å; F564-D566 VanDerWaalsContact C-N 3.28Å; F564-F567 HydrophobicContact CB-CB 4.25Å; F564-F567 WeakPolarHBondContact O-CB 3.45Å; F564-F567 WeakPolarHBondContact O-CD1 3.37Å; F564-F567 PolarHBondContact O-N 2.83Å; F564-R570 VanDerWaalsContact CD1-NE 3.33Å
565	K	93	Very high	93.1	Very high	211 Å²	211	49.7 Å²	49.7	92%	0.917	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.2	174.1	-66.3	-169	175.3	-168.2	0	111.9
566	D	95.4	Very high	93.5	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	22.3	176.8	57.9	-36.2	0	0	0	112.9	F564 W568 P569 R570	F564-D566 VanDerWaalsContact C-N 3.28Å; D566-W568 VanDerWaalsContact C-N 3.26Å; D566-W568 PolarHBondContact O-N 3.21Å; D566-W568 VanDerWaalsContact O-N 3.1Å; D566-P569 VanDerWaalsContact O-CD 3.27Å; D566-P569 WeakPolarHBondContact O-CD 3.37Å; D566-R570 VanDerWaalsContact CG-NE 3.29Å; D566-R570 WeakPolarHBondContact O-CG 3.41Å; D566-R570 PolarHBondContact O-N 3.31Å; D566-R570 IonicContact OD1-NE 2.71Å; D566-R570 PolarHBondContact OD1-NE 2.97Å; D566-R570 WeakPolarHBondContact OD2-CD 3.46Å; D566-R570 IonicContact OD2-CZ 3.9Å; D566-R570 IonicContact OD2-NE 3.07Å; D566-R570 PolarHBondContact OD2-NE 3.11Å; D566-R570 IonicContact OD2-NH2 3.79Å; D566-R570 PolarHBondContact OD2-NH2 2.82Å
567	F	96.1	Very high	93.8	Very high	19 Å²	19	53.5 Å²	53.5	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-51.6	-36.5	-174	68.4	-86.8	0	0	0	115.4	Q530 K553 L556 K557 P562 F564 F571	Q530-F567 PolarHBondContact NE2-O 3.28Å; Q530-F567 VanDerWaalsContact OE1-CA 3.27Å; K553-F567 HydrophobicContact CG-CE2 4.03Å; K553-F567 HydrophobicContact CG-CZ 3.8Å; L556-F567 HydrophobicContact CB-CE2 4.44Å; L556-F567 HydrophobicContact CD2-CD2 4.01Å; L556-F567 HydrophobicContact CD2-CE2 4.37Å; L556-F567 HydrophobicContact CG-CD2 4.5Å; K557-F567 HydrophobicContact CB-CE2 4.35Å; K557-F567 HydrophobicContact CB-CZ 3.93Å; K557-F567 HydrophobicContact CG-CZ 4.4Å; P562-F567 HydrophobicContact CB-CB 3.66Å; P562-F567 HydrophobicContact CB-CG 4.23Å; P562-F567 HydrophobicContact CG-CB 3.41Å; P562-F567 VanDerWaalsContact CG-CB 3.41Å; P562-F567 HydrophobicContact CG-CD1 4.11Å; P562-F567 HydrophobicContact CG-CD2 3.49Å; P562-F567 VanDerWaalsContact CG-CD2 3.49Å; P562-F567 HydrophobicContact CG-CE2 4.25Å; P562-F567 HydrophobicContact CG-CG 3.4Å; F564-F567 HydrophobicContact CB-CB 4.25Å; F564-F567 WeakPolarHBondContact O-CB 3.45Å; F564-F567 WeakPolarHBondContact O-CD1 3.37Å; F564-F567 PolarHBondContact O-N 2.83Å; F567-F571 VanDerWaalsContact O-CB 3.23Å; F567-F571 WeakPolarHBondContact O-CB 3.33Å; F567-F571 PolarHBondContact O-N 3.24Å
568	W	96.6	Very high	94.1	Very high	48 Å²	48	48.7 Å²	48.7	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-78.8	-48.9	-176.5	-179	-106.5	0	0	0	112.7	S551 K553 L556 D566 R570 F571 L572 L606	S551-W568 WeakPolarHBondContact O-CH2 3.5Å; K553-W568 HydrophobicContact CB-CB 4.35Å; K553-W568 HydrophobicContact CB-CD2 3.69Å; K553-W568 HydrophobicContact CB-CE3 4.12Å; K553-W568 HydrophobicContact CB-CG 3.79Å; K553-W568 HydrophobicContact CD-CB 4.21Å; K553-W568 HydrophobicContact CD-CG 4.15Å; K553-W568 HydrophobicContact CG-CB 3.9Å; K553-W568 HydrophobicContact CG-CD2 4.23Å; K553-W568 HydrophobicContact CG-CG 3.84Å; L556-W568 HydrophobicContact CB-CE3 4.45Å; L556-W568 HydrophobicContact CB-CZ3 4.45Å; L556-W568 HydrophobicContact CD2-CE3 3.77Å; L556-W568 HydrophobicContact CD2-CZ3 4.06Å; D566-W568 VanDerWaalsContact C-N 3.26Å; D566-W568 PolarHBondContact O-N 3.21Å; D566-W568 VanDerWaalsContact O-N 3.1Å; W568-R570 VanDerWaalsContact C-N 3.28Å; W568-R570 PolarHBondContact O-N 3.47Å; W568-F571 AromaticContact CE3-CD1 3.82Å; W568-F571 HydrophobicContact CE3-CD1 3.82Å; W568-F571 HydrophobicContact CE3-CE1 4.47Å; W568-F571 HydrophobicContact CH2-CD1 4.17Å; W568-F571 HydrophobicContact CH2-CE1 4.17Å; W568-F571 AromaticContact CZ3-CD1 3.52Å; W568-F571 HydrophobicContact CZ3-CD1 3.52Å; W568-F571 AromaticContact CZ3-CE1 3.73Å; W568-F571 HydrophobicContact CZ3-CE1 3.73Å; W568-F571 PolarHBondContact O-N 2.97Å; W568-L572 HydrophobicContact CD2-CG 4.46Å; W568-L572 HydrophobicContact CH2-CD2 4.21Å; W568-L572 HydrophobicContact CZ2-CD1 4.27Å; W568-L572 HydrophobicContact CZ2-CD2 3.9Å; W568-L572 HydrophobicContact CZ2-CG 4.26Å; W568-L572 WeakPolarHBondContact O-CG 3.35Å; W568-L572 PolarHBondContact O-N 2.88Å; W568-L606 HydrophobicContact CH2-CD2 4.22Å
569	P	97.8	Very high	94.5	Very high	81 Å²	81	44.1 Å²	44.1	53%	0.526	22%	0.215	S	C	.	.	H	α-helix	trans	-49.8	-45.8	164	-30.4	34.8	0	0	0	113.7	D566 L572 D573	D566-P569 VanDerWaalsContact O-CD 3.27Å; D566-P569 WeakPolarHBondContact O-CD 3.37Å; P569-L572 PolarHBondContact O-N 3.4Å; P569-D573 WeakPolarHBondContact O-CB 3.4Å; P569-D573 PolarHBondContact O-N 3.38Å
570	R	96.9	Very high	95.1	Very high	62 Å²	62	49.4 Å²	49.4	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-47.6	176.2	-76.9	177.5	170.6	-87.1	-15.6	112.6	Q530 F564 D566 W568 D573 C574	Q530-R570 WeakPolarHBondContact O-CD 3.39Å; Q530-R570 PolarHBondContact O-NH1 3.35Å; F564-R570 VanDerWaalsContact CD1-NE 3.33Å; D566-R570 VanDerWaalsContact CG-NE 3.29Å; D566-R570 WeakPolarHBondContact O-CG 3.41Å; D566-R570 PolarHBondContact O-N 3.31Å; D566-R570 IonicContact OD1-NE 2.71Å; D566-R570 PolarHBondContact OD1-NE 2.97Å; D566-R570 WeakPolarHBondContact OD2-CD 3.46Å; D566-R570 IonicContact OD2-CZ 3.9Å; D566-R570 IonicContact OD2-NE 3.07Å; D566-R570 PolarHBondContact OD2-NE 3.11Å; D566-R570 IonicContact OD2-NH2 3.79Å; D566-R570 PolarHBondContact OD2-NH2 2.82Å; W568-R570 VanDerWaalsContact C-N 3.28Å; W568-R570 PolarHBondContact O-N 3.47Å; R570-D573 PolarHBondContact O-N 2.86Å; R570-C574 PolarHBondContact O-N 2.98Å; R570-C574 PolarHBondContact O-SG 3.14Å
571	F	97.4	Very high	95.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-53.5	177.9	175.2	-102.1	0	0	0	111.5	A529 V548 L556 F567 W568 D573 C574 L575 L606	A529-F571 HydrophobicContact CB-CD2 3.74Å; A529-F571 HydrophobicContact CB-CE2 4.19Å; A529-F571 VanDerWaalsContact O-CA 3.27Å; A529-F571 WeakPolarHBondContact O-CA 3.45Å; V548-F571 HydrophobicContact CG1-CZ 4.11Å; V548-F571 HydrophobicContact CG2-CE2 4.47Å; V548-F571 HydrophobicContact CG2-CZ 4.34Å; L556-F571 HydrophobicContact CD2-CB 4.04Å; L556-F571 HydrophobicContact CD2-CD1 4.15Å; L556-F571 HydrophobicContact CD2-CD2 4.09Å; L556-F571 HydrophobicContact CD2-CG 3.83Å; F567-F571 VanDerWaalsContact O-CB 3.23Å; F567-F571 WeakPolarHBondContact O-CB 3.33Å; F567-F571 PolarHBondContact O-N 3.24Å; W568-F571 AromaticContact CE3-CD1 3.82Å; W568-F571 HydrophobicContact CE3-CD1 3.82Å; W568-F571 HydrophobicContact CE3-CE1 4.47Å; W568-F571 HydrophobicContact CH2-CD1 4.17Å; W568-F571 HydrophobicContact CH2-CE1 4.17Å; W568-F571 AromaticContact CZ3-CD1 3.52Å; W568-F571 HydrophobicContact CZ3-CD1 3.52Å; W568-F571 AromaticContact CZ3-CE1 3.73Å; W568-F571 HydrophobicContact CZ3-CE1 3.73Å; W568-F571 PolarHBondContact O-N 2.97Å; F571-D573 PolarHBondContact O-N 3.15Å; F571-C574 WeakPolarHBondContact O-CB 3.37Å; F571-C574 PolarHBondContact O-N 2.96Å; F571-C574 VanDerWaalsContact O-N 3.14Å; F571-L575 HydrophobicContact CD1-CD1 4.49Å; F571-L575 HydrophobicContact CE1-CD1 3.9Å; F571-L575 HydrophobicContact CE1-CG 4.44Å; F571-L575 HydrophobicContact CE2-CD2 4.34Å; F571-L575 HydrophobicContact CZ-CD1 4.09Å; F571-L575 HydrophobicContact CZ-CD2 4.29Å; F571-L575 HydrophobicContact CZ-CG 4.44Å; F571-L575 WeakPolarHBondContact O-CG 3.32Å; F571-L575 PolarHBondContact O-N 2.95Å; F571-L575 VanDerWaalsContact O-N 3.08Å; F571-L606 HydrophobicContact CE1-CD1 3.79Å; F571-L606 HydrophobicContact CE1-CD2 4.09Å; F571-L606 HydrophobicContact CZ-CD1 4.15Å
572	L	97.8	Very high	95.9	Very high	37 Å²	37	51.1 Å²	51.1	19%	0.194	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-29.5	177.3	-64.1	-179.7	0	0	0	113.2	W568 P569 R576 L606 L609	W568-L572 HydrophobicContact CD2-CG 4.46Å; W568-L572 HydrophobicContact CH2-CD2 4.21Å; W568-L572 HydrophobicContact CZ2-CD1 4.27Å; W568-L572 HydrophobicContact CZ2-CD2 3.9Å; W568-L572 HydrophobicContact CZ2-CG 4.26Å; W568-L572 WeakPolarHBondContact O-CG 3.35Å; W568-L572 PolarHBondContact O-N 2.88Å; P569-L572 PolarHBondContact O-N 3.4Å; L572-R576 PolarHBondContact O-N 2.99Å; L572-R576 PolarHBondContact O-NH1 3.45Å; L572-L606 HydrophobicContact CD2-CD2 3.43Å; L572-L606 VanDerWaalsContact CD2-CD2 3.43Å; L572-L609 HydrophobicContact CB-CD2 4.22Å; L572-L609 HydrophobicContact CD2-CD2 3.81Å
573	D	98.1	Very high	96.1	Very high	35 Å²	35	51.1 Å²	51.1	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-79.8	-33.6	176.8	-155.6	52.2	0	0	0	113.3	P532 R536 P569 R570 F571 L575 R576 A577	P532-D573 HydrophobicContact CB-CB 4.13Å; R536-D573 IonicContact CZ-OD2 2.9Å; R536-D573 IonicContact NH1-OD2 2.69Å; R536-D573 PolarHBondContact NH1-OD2 3.48Å; R536-D573 IonicContact NH2-OD1 3.55Å; R536-D573 PolarHBondContact NH2-OD1 3.4Å; R536-D573 VanDerWaalsContact NH2-OD1 3.14Å; R536-D573 IonicContact NH2-OD2 3.41Å; R536-D573 PolarHBondContact NH2-OD2 2.82Å; R536-D573 VanDerWaalsContact NH2-OD2 3.12Å; P569-D573 WeakPolarHBondContact O-CB 3.4Å; P569-D573 PolarHBondContact O-N 3.38Å; R570-D573 PolarHBondContact O-N 2.86Å; F571-D573 PolarHBondContact O-N 3.15Å; D573-L575 VanDerWaalsContact C-N 3.26Å; D573-L575 PolarHBondContact O-N 3.29Å; D573-R576 VanDerWaalsContact CA-NH2 3.31Å; D573-R576 VanDerWaalsContact CB-NH2 3.33Å; D573-R576 PolarHBondContact O-N 3.25Å; D573-R576 IonicContact OD1-CZ 2.76Å; D573-R576 VanDerWaalsContact OD1-CZ 3.31Å; D573-R576 IonicContact OD1-NE 2.75Å; D573-R576 PolarHBondContact OD1-NE 3.14Å; D573-R576 VanDerWaalsContact OD1-NE 3.09Å; D573-R576 IonicContact OD1-NH2 3.52Å; D573-R576 PolarHBondContact OD1-NH2 3.22Å; D573-A577 VanDerWaalsContact O-CB 3.32Å; D573-A577 WeakPolarHBondContact O-CB 3.32Å; D573-A577 PolarHBondContact O-N 3.48Å
574	C	97.9	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-35.5	168.9	-67.2	0	0	0	0	111.8	A529 F531 P532 I535 R570 F571 L578	A529-C574 VanDerWaalsContact CA-SG 3.59Å; A529-C574 HydrophobicContact CB-CB 3.43Å; A529-C574 VanDerWaalsContact CB-CB 3.43Å; A529-C574 PolarHBondContact O-SG 3.2Å; F531-C574 PolarHBondContact N-SG 2.82Å; P532-C574 VanDerWaalsContact CA-SG 3.56Å; P532-C574 VanDerWaalsContact N-SG 3.41Å; I535-C574 HydrophobicContact CD1-CB 3.58Å; R570-C574 PolarHBondContact O-N 2.98Å; R570-C574 PolarHBondContact O-SG 3.14Å; F571-C574 WeakPolarHBondContact O-CB 3.37Å; F571-C574 PolarHBondContact O-N 2.96Å; F571-C574 VanDerWaalsContact O-N 3.14Å; C574-L578 WeakPolarHBondContact O-CB 3.13Å; C574-L578 PolarHBondContact O-N 2.88Å
575	L	97.9	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-41.2	175.3	-61.7	-165.7	0	0	0	112	V546 V548 F571 D573 L578 G579 Y587 L606 L609 G610	V546-L575 HydrophobicContact CG1-CD2 3.87Å; V548-L575 HydrophobicContact CG2-CD2 4.27Å; F571-L575 HydrophobicContact CD1-CD1 4.49Å; F571-L575 HydrophobicContact CE1-CD1 3.9Å; F571-L575 HydrophobicContact CE1-CG 4.44Å; F571-L575 HydrophobicContact CE2-CD2 4.34Å; F571-L575 HydrophobicContact CZ-CD1 4.09Å; F571-L575 HydrophobicContact CZ-CD2 4.29Å; F571-L575 HydrophobicContact CZ-CG 4.44Å; F571-L575 WeakPolarHBondContact O-CG 3.32Å; F571-L575 PolarHBondContact O-N 2.95Å; F571-L575 VanDerWaalsContact O-N 3.08Å; D573-L575 VanDerWaalsContact C-N 3.26Å; D573-L575 PolarHBondContact O-N 3.29Å; L575-L578 PolarHBondContact O-N 3.06Å; L575-G579 PolarHBondContact O-N 2.91Å; L575-Y587 WeakPolarHBondContact CB-OH 3.28Å; L575-Y587 HydrophobicContact CD1-CE2 4.45Å; L575-Y587 HydrophobicContact CD2-CE1 3.83Å; L575-Y587 HydrophobicContact CD2-CE2 4.45Å; L575-L606 HydrophobicContact CD1-CB 3.93Å; L575-L606 HydrophobicContact CD1-CD2 3.78Å; L575-L606 HydrophobicContact CD1-CG 4.29Å; L575-L609 HydrophobicContact CB-CD2 4.34Å; L575-L609 HydrophobicContact CD1-CD2 4.42Å; L575-G610 WeakPolarHBondContact O-CA 3.34Å
576	R	97.7	Very high	96.9	Very high	94 Å²	94	37 Å²	37	36%	0.355	18%	0.184	S	C	.	.	H	α-helix	trans	-66.6	-47.9	173.3	-70.5	-176.6	-66.9	-89.6	3.2	112	L572 D573 L578 G579 E580 L609	L572-R576 PolarHBondContact O-N 2.99Å; L572-R576 PolarHBondContact O-NH1 3.45Å; D573-R576 VanDerWaalsContact CA-NH2 3.31Å; D573-R576 VanDerWaalsContact CB-NH2 3.33Å; D573-R576 PolarHBondContact O-N 3.25Å; D573-R576 IonicContact OD1-CZ 2.76Å; D573-R576 VanDerWaalsContact OD1-CZ 3.31Å; D573-R576 IonicContact OD1-NE 2.75Å; D573-R576 PolarHBondContact OD1-NE 3.14Å; D573-R576 VanDerWaalsContact OD1-NE 3.09Å; D573-R576 IonicContact OD1-NH2 3.52Å; D573-R576 PolarHBondContact OD1-NH2 3.22Å; R576-L578 PolarHBondContact O-N 2.95Å; R576-L578 VanDerWaalsContact O-N 3.17Å; R576-G579 WeakPolarHBondContact O-CA 3.21Å; R576-G579 PolarHBondContact O-N 3.5Å; R576-E580 WeakPolarHBondContact O-CG 3.39Å; R576-E580 PolarHBondContact O-N 2.83Å; R576-L609 HydrophobicContact CG-CD1 3.9Å; R576-L609 HydrophobicContact CG-CG 4.18Å
577	A	97.2	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-24.9	176.1	0	0	0	0	0	113.2	I535 R536 D573	I535-A577 HydrophobicContact CB-CB 4.19Å; I535-A577 HydrophobicContact CG2-CB 3.72Å; R536-A577 HydrophobicContact CG-CB 3.72Å; D573-A577 VanDerWaalsContact O-CB 3.32Å; D573-A577 WeakPolarHBondContact O-CB 3.32Å; D573-A577 PolarHBondContact O-N 3.48Å
578	L	95.4	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-73.1	-49	169.6	-166	76.4	0	0	0	111.3	L544 V546 C574 L575 R576 E580 K581 T585 Y587	L544-L578 HydrophobicContact CB-CD1 4.1Å; L544-L578 HydrophobicContact CD2-CD1 3.51Å; L544-L578 HydrophobicContact CG-CD1 3.57Å; V546-L578 HydrophobicContact CB-CD2 4.37Å; V546-L578 HydrophobicContact CG2-CD1 4.17Å; V546-L578 HydrophobicContact CG2-CD2 3.98Å; V546-L578 HydrophobicContact CG2-CG 4.45Å; C574-L578 WeakPolarHBondContact O-CB 3.13Å; C574-L578 PolarHBondContact O-N 2.88Å; L575-L578 PolarHBondContact O-N 3.06Å; R576-L578 PolarHBondContact O-N 2.95Å; R576-L578 VanDerWaalsContact O-N 3.17Å; L578-E580 PolarHBondContact O-N 2.97Å; L578-K581 WeakPolarHBondContact O-CB 3.49Å; L578-K581 PolarHBondContact O-N 3.07Å; L578-T585 HydrophobicContact CD1-CG2 3.9Å; L578-T585 HydrophobicContact CD2-CG2 4.37Å; L578-T585 HydrophobicContact CG-CG2 3.71Å; L578-T585 WeakPolarHBondContact O-CG2 3.23Å; L578-Y587 HydrophobicContact CD2-CD1 3.74Å; L578-Y587 HydrophobicContact CD2-CE1 3.64Å
579	G	94.6	Very high	96.9	Very high	41 Å²	41	33.4 Å²	33.4	42%	0.423	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-22.5	176.7	0	0	0	0	0	114.6	L575 R576 K581 G610	L575-G579 PolarHBondContact O-N 2.91Å; R576-G579 WeakPolarHBondContact O-CA 3.21Å; R576-G579 PolarHBondContact O-N 3.5Å; G579-K581 VanDerWaalsContact C-N 3.26Å; G579-K581 PolarHBondContact O-N 3.37Å; G579-G610 WeakPolarHBondContact CA-O 3.45Å
580	E	95.5	Very high	96.5	Very high	114 Å²	114	30.6 Å²	30.6	53%	0.533	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.5	171.4	-71.5	160.8	-157.5	0	0	113.3	R536 R576 L578	R536-E580 IonicContact CZ-OE2 3.08Å; R536-E580 IonicContact NE-OE2 2.65Å; R536-E580 PolarHBondContact NE-OE2 3.39Å; R536-E580 VanDerWaalsContact NE-OE2 3.11Å; R536-E580 IonicContact NH2-OE1 2.73Å; R536-E580 IonicContact NH2-OE2 2.72Å; R576-E580 WeakPolarHBondContact O-CG 3.39Å; R576-E580 PolarHBondContact O-N 2.83Å; L578-E580 PolarHBondContact O-N 2.97Å
581	K	95.9	Very high	96.1	Very high	41 Å²	41	27.9 Å²	27.9	18%	0.178	14%	0.137	C	C	.	.			trans	-81	142.5	-178.6	-66.9	-63.1	-174.7	-178.4	0	113.2	I535 R536 L538 L544 L578 G579 T585	I535-K581 WeakPolarHBondContact O-CE 3.47Å; I535-K581 PolarHBondContact O-NZ 3Å; R536-K581 PolarHBondContact O-NZ 3.08Å; L538-K581 PolarHBondContact O-NZ 3.33Å; L544-K581 HydrophobicContact CD2-CG 4.34Å; L578-K581 WeakPolarHBondContact O-CB 3.49Å; L578-K581 PolarHBondContact O-N 3.07Å; G579-K581 VanDerWaalsContact C-N 3.26Å; G579-K581 PolarHBondContact O-N 3.37Å; K581-T585 HydrophobicContact CB-CG2 4.03Å
582	K	95.5	Very high	95.4	Very high	111 Å²	111	28 Å²	28	48%	0.483	14%	0.138	S	C	.	.	S	Bend	trans	-82.8	-32.7	173.8	-66.8	179.9	172.7	174.6	0	112.9	T705 F706 S707 A708	K582-T705 PolarHBondContact NZ-OG1 3.39Å; K582-F706 WeakPolarHBondContact CB-O 3.2Å; K582-S707 CarbonylContact O-C 3.03Å; K582-S707 VanDerWaalsContact O-CA 3.3Å; K582-S707 WeakPolarHBondContact O-CA 3.13Å; K582-A708 PolarHBondContact O-N 2.89Å
583	Q	95.8	Very high	94.7	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.089	14%	0.144	C	C	.	.	S	Bend	trans	-75.4	164.6	178.5	-71.2	69.5	31.9	0	0	111.5	P540 V541 T585 F706	P540-Q583 HydrophobicContact CB-CG 3.86Å; V541-Q583 WeakPolarHBondContact O-CB 3.43Å; V541-Q583 WeakPolarHBondContact O-CG 3.42Å; Q583-T585 WeakPolarHBondContact O-CG2 3.47Å; Q583-T585 PolarHBondContact O-N 2.88Å; Q583-F706 HydrophobicContact CG-CE2 3.79Å; Q583-F706 HydrophobicContact CG-CZ 3.98Å; Q583-F706 PolarHBondContact NE2-O 3.11Å
584	R	98.3	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.1	-173.7	-68.1	166.8	63.8	115.8	-0.3	112.9	Q543 L544 D613 F614 T683 W684 I685 A708 Y711	Q543-R584 CarbonylContact C-O 3.53Å; Q543-R584 WeakPolarHBondContact CA-O 3.32Å; Q543-R584 HydrophobicContact CB-CB 4.14Å; Q543-R584 HydrophobicContact CG-CB 3.91Å; L544-R584 PolarHBondContact N-O 3.25Å; R584-D613 VanDerWaalsContact CA-OD2 3.31Å; R584-D613 WeakPolarHBondContact CA-OD2 3.11Å; R584-F614 HydrophobicContact CB-CE2 4.49Å; R584-F614 HydrophobicContact CG-CE2 4.41Å; R584-F614 VanDerWaalsContact CZ-CE2 3.47Å; R584-F614 VanDerWaalsContact NH2-CE2 3.25Å; R584-F614 VanDerWaalsContact NH2-CZ 3.34Å; R584-T683 PolarHBondContact NH1-O 3Å; R584-T683 PolarHBondContact NH2-O 3.15Å; R584-W684 PolarHBondContact NH1-O 3.4Å; R584-I685 VanDerWaalsContact CZ-CG1 3.42Å; R584-A708 HydrophobicContact CB-CB 4.35Å; R584-A708 HydrophobicContact CG-CB 3.55Å; R584-Y711 HydrophobicContact CG-CE1 4.48Å; R584-Y711 HydrophobicContact CG-CE2 4.08Å; R584-Y711 WeakPolarHBondContact CG-OH 3.49Å; R584-Y711 PolarHBondContact N-OH 3.12Å; R584-Y711 VanDerWaalsContact N-OH 3.12Å
585	T	98.6	Very high	92.6	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.6	-175.1	54.2	0	0	0	0	112.1	L544 L578 K581 Q583 P612 D613 F614	L544-T585 CarbonylContact O-C 3.4Å; L544-T585 WeakPolarHBondContact O-CA 3.46Å; L578-T585 HydrophobicContact CD1-CG2 3.9Å; L578-T585 HydrophobicContact CD2-CG2 4.37Å; L578-T585 HydrophobicContact CG-CG2 3.71Å; L578-T585 WeakPolarHBondContact O-CG2 3.23Å; K581-T585 HydrophobicContact CB-CG2 4.03Å; Q583-T585 WeakPolarHBondContact O-CG2 3.47Å; Q583-T585 PolarHBondContact O-N 2.88Å; T585-P612 WeakPolarHBondContact OG1-CA 3.31Å; T585-D613 PolarHBondContact N-OD2 2.91Å; T585-D613 WeakPolarHBondContact O-CB 3.43Å; T585-D613 PolarHBondContact O-N 2.81Å; T585-D613 PolarHBondContact OG1-N 3.36Å; T585-D613 PolarHBondContact OG1-OD2 2.64Å; T585-F614 PolarHBondContact O-N 2.84Å; T585-F614 VanDerWaalsContact O-N 3.1Å
586	V	98.6	Very high	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.7	-176.9	-168.8	0	0	0	0	110.7	Q543 L544 Y545 V546 F614 E616	Q543-V586 VanDerWaalsContact CD-CG2 3.49Å; Q543-V586 HydrophobicContact CG-CG2 3.4Å; Q543-V586 VanDerWaalsContact CG-CG2 3.4Å; L544-V586 PolarHBondContact O-N 3.24Å; Y545-V586 WeakPolarHBondContact CA-O 3.4Å; Y545-V586 HydrophobicContact CD1-CB 3.61Å; Y545-V586 HydrophobicContact CD1-CG1 3.68Å; Y545-V586 HydrophobicContact CD1-CG2 4.22Å; Y545-V586 HydrophobicContact CD2-CG2 4.44Å; Y545-V586 HydrophobicContact CE1-CB 3.75Å; Y545-V586 HydrophobicContact CE1-CG1 3.52Å; Y545-V586 HydrophobicContact CE1-CG2 4Å; Y545-V586 HydrophobicContact CE2-CG2 4.22Å; Y545-V586 HydrophobicContact CG-CB 4Å; Y545-V586 HydrophobicContact CG-CG2 4.43Å; V546-V586 PolarHBondContact N-O 3.31Å; V586-F614 WeakPolarHBondContact CA-O 3.31Å; V586-F614 HydrophobicContact CG1-CB 4.23Å; V586-F614 HydrophobicContact CG2-CB 4.2Å; V586-F614 HydrophobicContact CG2-CD2 4.3Å; V586-E616 HydrophobicContact CG1-CB 4.37Å; V586-E616 HydrophobicContact CG1-CG 3.86Å
587	Y	98.2	Very high	90.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.1	156.8	-74.1	10.1	0	0	0	108.9	V548 L575 L578 L606 I607 G610 P612 F614 I615 E616	V548-Y587 HydrophobicContact CG2-CD1 4.3Å; V548-Y587 HydrophobicContact CG2-CD2 3.97Å; V548-Y587 HydrophobicContact CG2-CG 3.87Å; L575-Y587 WeakPolarHBondContact CB-OH 3.28Å; L575-Y587 HydrophobicContact CD1-CE2 4.45Å; L575-Y587 HydrophobicContact CD2-CE1 3.83Å; L575-Y587 HydrophobicContact CD2-CE2 4.45Å; L578-Y587 HydrophobicContact CD2-CD1 3.74Å; L578-Y587 HydrophobicContact CD2-CE1 3.64Å; Y587-L606 WeakPolarHBondContact CE2-O 3.4Å; Y587-L606 PolarHBondContact OH-O 2.78Å; Y587-I607 HydrophobicContact CD2-CG1 3.77Å; Y587-I607 HydrophobicContact CE2-CB 4.43Å; Y587-I607 HydrophobicContact CE2-CG1 3.9Å; Y587-G610 WeakPolarHBondContact OH-CA 3.37Å; Y587-G610 PolarHBondContact OH-N 2.89Å; Y587-P612 HydrophobicContact CD1-CB 3.74Å; Y587-P612 HydrophobicContact CD1-CG 3.71Å; Y587-P612 HydrophobicContact CD2-CG 3.92Å; Y587-P612 HydrophobicContact CE1-CB 4Å; Y587-P612 HydrophobicContact CE1-CG 3.9Å; Y587-P612 HydrophobicContact CE2-CG 4.12Å; Y587-P612 HydrophobicContact CG-CB 4.16Å; Y587-P612 HydrophobicContact CG-CG 3.69Å; Y587-F614 PolarHBondContact N-O 3.12Å; Y587-I615 CarbonylContact O-C 3.57Å; Y587-I615 WeakPolarHBondContact O-CA 3.48Å; Y587-E616 PolarHBondContact O-N 3.16Å
588	R	96.7	Very high	89.6	Confident	56 Å²	56	41.7 Å²	41.7	21%	0.211	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.9	173.9	-176	-171.1	65.6	-178.6	-2.1	110	Y545 V546 S547 V548 E616	Y545-R588 HydrophobicContact CD1-CB 4.33Å; V546-R588 PolarHBondContact O-N 3.06Å; S547-R588 PolarHBondContact OG-NH2 3.1Å; V548-R588 PolarHBondContact N-O 3.41Å; R588-E616 CarbonylContact C-O 3.58Å; R588-E616 WeakPolarHBondContact CA-O 3.35Å; R588-E616 HydrophobicContact CB-CB 4.3Å; R588-E616 HydrophobicContact CG-CB 4.1Å
589	L	93.7	Very high	89	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.2	-177.5	-68.9	64.8	0	0	0	109.3	V548 L591 Y603 I615 E616 V617 K618 L649	V548-L589 HydrophobicContact CB-CD1 4.18Å; V548-L589 HydrophobicContact CB-CG 4.3Å; V548-L589 HydrophobicContact CG1-CG 4.42Å; V548-L589 WeakPolarHBondContact O-CA 3.28Å; L589-L591 PolarHBondContact O-N 3.24Å; L589-Y603 HydrophobicContact CD2-CD1 3.43Å; L589-Y603 VanDerWaalsContact CD2-CD1 3.43Å; L589-Y603 HydrophobicContact CD2-CE1 3.7Å; L589-Y603 HydrophobicContact CD2-CG 3.98Å; L589-Y603 HydrophobicContact CG-CD1 4.05Å; L589-Y603 HydrophobicContact CG-CE1 3.94Å; L589-I615 HydrophobicContact CD1-CG2 3.68Å; L589-E616 PolarHBondContact N-O 2.89Å; L589-V617 HydrophobicContact CB-CG2 4.49Å; L589-V617 HydrophobicContact CD2-CG2 4.34Å; L589-K618 PolarHBondContact O-N 2.97Å; L589-L649 HydrophobicContact CD2-CD2 4.26Å
590	T	89.1	Confident	88.8	Confident	22 Å²	22	42.5 Å²	42.5	14%	0.135	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	106.3	170	-52.4	0	0	0	0	109.9	D549 V592 N596 K618 V620	D549-T590 WeakPolarHBondContact OD1-CB 3.45Å; D549-T590 PolarHBondContact OD1-N 2.86Å; D549-T590 VanDerWaalsContact OD1-N 3.1Å; D549-T590 PolarHBondContact OD1-OG1 2.9Å; T590-V592 HydrophobicContact CG2-CG2 4.31Å; T590-V592 PolarHBondContact O-N 3.43Å; T590-N596 PolarHBondContact O-ND2 3.48Å; T590-K618 CarbonylContact C-O 3.57Å; T590-K618 WeakPolarHBondContact CA-O 3.24Å; T590-V620 HydrophobicContact CG2-CB 3.83Å; T590-V620 HydrophobicContact CG2-CG2 4Å
591	L	87.7	Confident	88.6	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120	179.7	-162.8	69.6	0	0	0	110.8	L589 V597 V617 K618 V620 V642 F645	L589-L591 PolarHBondContact O-N 3.24Å; L591-V597 HydrophobicContact CD1-CG1 3.79Å; L591-V597 HydrophobicContact CD2-CG1 4.23Å; L591-V597 HydrophobicContact CG-CG1 3.84Å; L591-V617 HydrophobicContact CB-CG1 4.41Å; L591-K618 PolarHBondContact N-O 3.43Å; L591-V620 PolarHBondContact O-N 3.31Å; L591-V642 HydrophobicContact CD2-CG1 4.45Å; L591-V642 HydrophobicContact CD2-CG2 4.13Å; L591-F645 HydrophobicContact CD1-CD1 3.97Å; L591-F645 HydrophobicContact CD1-CD2 3.83Å; L591-F645 HydrophobicContact CD1-CE1 3.79Å; L591-F645 HydrophobicContact CD1-CE2 3.63Å; L591-F645 HydrophobicContact CD1-CG 4Å; L591-F645 HydrophobicContact CD1-CZ 3.61Å; L591-F645 HydrophobicContact CD2-CB 3.94Å; L591-F645 HydrophobicContact CD2-CD1 4.02Å; L591-F645 HydrophobicContact CD2-CD2 4.27Å; L591-F645 HydrophobicContact CD2-CG 3.82Å
592	V	83.5	Confident	88.5	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.036	21%	0.208	C	C	.	.			trans	-121.2	114.9	-177.3	-177.2	0	0	0	0	108.8	T590 A594 W595 N596 V620 L631 N635	T590-V592 HydrophobicContact CG2-CG2 4.31Å; T590-V592 PolarHBondContact O-N 3.43Å; V592-A594 PolarHBondContact O-N 2.93Å; V592-W595 HydrophobicContact CB-CB 3.88Å; V592-W595 HydrophobicContact CB-CG 4.36Å; V592-W595 HydrophobicContact CG1-CB 3.68Å; V592-W595 HydrophobicContact CG1-CD2 4.49Å; V592-W595 HydrophobicContact CG1-CG 3.63Å; V592-W595 PolarHBondContact O-N 3.46Å; V592-W595 VanDerWaalsContact O-N 3.09Å; V592-N596 PolarHBondContact N-OD1 2.77Å; V592-N596 PolarHBondContact O-N 2.99Å; V592-N596 PolarHBondContact O-OD1 2.85Å; V592-V620 HydrophobicContact CB-CG1 4.42Å; V592-V620 HydrophobicContact CG1-CG1 4.39Å; V592-V620 HydrophobicContact CG2-CB 3.9Å; V592-V620 HydrophobicContact CG2-CG1 4.13Å; V592-V620 HydrophobicContact CG2-CG2 4.18Å; V592-L631 HydrophobicContact CG1-CD2 3.56Å; V592-N635 HydrophobicContact CG1-CB 4.23Å
593	K	82.8	Confident	88.5	Confident	72 Å²	72	36.2 Å²	36.2	31%	0.313	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	133.8	-176.3	-176.3	171.4	177.5	169.8	0	110.9	W595 N635 E641	K593-W595 VanDerWaalsContact C-N 3.28Å; K593-W595 PolarHBondContact O-N 3.42Å; K593-N635 WeakPolarHBondContact CB-O 3.24Å; K593-N635 PolarHBondContact N-O 2.81Å; K593-N635 PolarHBondContact O-ND2 2.88Å; K593-E641 WeakPolarHBondContact CE-OE1 3.47Å; K593-E641 IonicContact NZ-OE1 2.83Å; K593-E641 PolarHBondContact NZ-OE1 3.26Å; K593-E641 IonicContact NZ-OE2 3.25Å; K593-E641 PolarHBondContact NZ-OE2 2.93Å
594	A	78.9	Confident	88.5	Confident	79 Å²	79	35.8 Å²	35.8	65%	0.653	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	22	-171.3	0	0	0	0	0	116	V592	V592-A594 PolarHBondContact O-N 2.93Å
595	W	72.6	Confident	88.4	Confident	82 Å²	82	41.2 Å²	41.2	31%	0.311	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-50.1	173.1	-78.1	71.9	0	0	0	113.6	V436 I559 V592 K593 L631	V436-W595 HydrophobicContact CG2-CH2 4.42Å; V436-W595 HydrophobicContact CG2-CZ3 4.25Å; I559-W595 HydrophobicContact CD1-CE3 4.1Å; I559-W595 HydrophobicContact CG1-CE3 3.73Å; I559-W595 HydrophobicContact CG1-CZ3 4.01Å; V592-W595 HydrophobicContact CB-CB 3.88Å; V592-W595 HydrophobicContact CB-CG 4.36Å; V592-W595 HydrophobicContact CG1-CB 3.68Å; V592-W595 HydrophobicContact CG1-CD2 4.49Å; V592-W595 HydrophobicContact CG1-CG 3.63Å; V592-W595 PolarHBondContact O-N 3.46Å; V592-W595 VanDerWaalsContact O-N 3.09Å; K593-W595 VanDerWaalsContact C-N 3.28Å; K593-W595 PolarHBondContact O-N 3.42Å; W595-L631 HydrophobicContact CZ2-CD2 4.36Å
596	N	77.4	Confident	88.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	6.9	-175.6	65.8	3.3	0	0	0	114.1	D549 T590 V592 E598 Y603	D549-N596 PolarHBondContact O-ND2 3.04Å; T590-N596 PolarHBondContact O-ND2 3.48Å; V592-N596 PolarHBondContact N-OD1 2.77Å; V592-N596 PolarHBondContact O-N 2.99Å; V592-N596 PolarHBondContact O-OD1 2.85Å; N596-E598 VanDerWaalsContact C-N 3.26Å; N596-E598 PolarHBondContact O-N 3.5Å; N596-Y603 HydrophobicContact CB-CE2 4.43Å; N596-Y603 WeakPolarHBondContact CB-OH 3.48Å; N596-Y603 PolarHBondContact ND2-OH 2.97Å
597	V	74.3	Confident	88.2	Confident	42 Å²	42	41.5 Å²	41.5	26%	0.255	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15	179.1	-69.4	0	0	0	0	114.8	L591 L600	L591-V597 HydrophobicContact CD1-CG1 3.79Å; L591-V597 HydrophobicContact CD2-CG1 4.23Å; L591-V597 HydrophobicContact CG-CG1 3.84Å; V597-L600 WeakPolarHBondContact O-CD1 3.13Å
598	E	77.8	Confident	88.1	Confident	177 Å²	177	44.3 Å²	44.3	83%	0.827	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.5	-177.8	-65.6	174.8	-167.8	0	0	112.9	N596 L600	N596-E598 VanDerWaalsContact C-N 3.26Å; N596-E598 PolarHBondContact O-N 3.5Å; E598-L600 VanDerWaalsContact C-N 3.34Å; E598-L600 PolarHBondContact O-N 2.81Å
599	E	83.6	Confident	88	Confident	35 Å²	35	45 Å²	45	16%	0.164	24%	0.242	C	C	.	.			trans	-89.9	25.2	-168	-42.2	-176.2	132.4	0	0	114.9	S551 S555 Q601 A602 Y603	S551-E599 WeakPolarHBondContact CB-OE2 3.21Å; S551-E599 PolarHBondContact N-OE2 3.36Å; S551-E599 WeakPolarHBondContact OG-CB 3.21Å; S551-E599 PolarHBondContact OG-OE2 3.36Å; S555-E599 WeakPolarHBondContact CB-OE1 3.4Å; S555-E599 PolarHBondContact OG-OE1 3.39Å; S555-E599 PolarHBondContact OG-OE2 2.76Å; E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 3.24Å; E599-Q601 VanDerWaalsContact O-N 3.15Å; E599-A602 PolarHBondContact O-N 2.87Å; E599-Y603 HydrophobicContact CB-CD2 4.12Å; E599-Y603 HydrophobicContact CB-CE2 4.01Å; E599-Y603 WeakPolarHBondContact O-CD2 2.77Å; E599-Y603 PolarHBondContact O-N 3.36Å; E599-Y603 VanDerWaalsContact O-N 3.09Å
600	L	89.6	Confident	88.1	Confident	23 Å²	23	45 Å²	45	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-52.8	-42.9	-168.6	-78.3	81	0	0	0	113.9	V597 E598 A602 Y603 A604 F645 Q648 M652	V597-L600 WeakPolarHBondContact O-CD1 3.13Å; E598-L600 VanDerWaalsContact C-N 3.34Å; E598-L600 PolarHBondContact O-N 2.81Å; L600-A602 PolarHBondContact O-N 3.06Å; L600-Y603 PolarHBondContact O-N 3.11Å; L600-A604 PolarHBondContact O-N 3.15Å; L600-F645 HydrophobicContact CD1-CD2 3.81Å; L600-F645 HydrophobicContact CD1-CE2 3.54Å; L600-F645 HydrophobicContact CD2-CD2 4.44Å; L600-F645 HydrophobicContact CG-CD2 4.07Å; L600-F645 HydrophobicContact CG-CE2 3.7Å; L600-F645 HydrophobicContact CG-CZ 4.28Å; L600-Q648 HydrophobicContact CD2-CB 3.5Å; L600-Q648 VanDerWaalsContact CD2-CB 3.5Å; L600-M652 HydrophobicContact CB-SD 4.12Å
601	Q	92.3	Very high	88.5	Confident	110 Å²	110	48.9 Å²	48.9	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-43.7	179.7	178.5	59	39.4	0	0	112.1	E599 A604 E605 M652	E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 3.24Å; E599-Q601 VanDerWaalsContact O-N 3.15Å; Q601-A604 PolarHBondContact O-N 2.92Å; Q601-E605 WeakPolarHBondContact CG-OE1 3.3Å; Q601-E605 PolarHBondContact NE2-OE1 3.21Å; Q601-E605 WeakPolarHBondContact O-CG 3.3Å; Q601-E605 PolarHBondContact O-N 3.07Å; Q601-M652 HydrophobicContact CB-CE 4.2Å
602	A	93.4	Very high	89	Confident	22 Å²	22	48.6 Å²	48.6	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-70.1	-35.9	178.1	0	0	0	0	0	111.7	S551 T552 E599 L600 E605 L606	S551-A602 VanDerWaalsContact OG-CB 3.3Å; S551-A602 WeakPolarHBondContact OG-CB 3.4Å; T552-A602 HydrophobicContact CG2-CB 4.2Å; E599-A602 PolarHBondContact O-N 2.87Å; L600-A602 PolarHBondContact O-N 3.06Å; A602-E605 PolarHBondContact O-N 3.38Å; A602-L606 WeakPolarHBondContact O-CG 3.46Å; A602-L606 PolarHBondContact O-N 3.37Å
603	Y	95.3	Very high	89.7	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-43.8	169.6	-78.3	-67.9	0	0	0	112.2	V548 L589 N596 E599 L600 E605 L606 I607 F645	V548-Y603 HydrophobicContact CG1-CD1 4.15Å; V548-Y603 HydrophobicContact CG1-CE1 3.98Å; L589-Y603 HydrophobicContact CD2-CD1 3.43Å; L589-Y603 VanDerWaalsContact CD2-CD1 3.43Å; L589-Y603 HydrophobicContact CD2-CE1 3.7Å; L589-Y603 HydrophobicContact CD2-CG 3.98Å; L589-Y603 HydrophobicContact CG-CD1 4.05Å; L589-Y603 HydrophobicContact CG-CE1 3.94Å; N596-Y603 HydrophobicContact CB-CE2 4.43Å; N596-Y603 WeakPolarHBondContact CB-OH 3.48Å; N596-Y603 PolarHBondContact ND2-OH 2.97Å; E599-Y603 HydrophobicContact CB-CD2 4.12Å; E599-Y603 HydrophobicContact CB-CE2 4.01Å; E599-Y603 WeakPolarHBondContact O-CD2 2.77Å; E599-Y603 PolarHBondContact O-N 3.36Å; E599-Y603 VanDerWaalsContact O-N 3.09Å; L600-Y603 PolarHBondContact O-N 3.11Å; Y603-E605 VanDerWaalsContact C-N 3.31Å; Y603-E605 PolarHBondContact O-N 3.03Å; Y603-L606 PolarHBondContact O-N 3.44Å; Y603-I607 WeakPolarHBondContact O-CB 3.41Å; Y603-I607 WeakPolarHBondContact O-CD1 3.43Å; Y603-I607 VanDerWaalsContact O-CG1 3.26Å; Y603-I607 WeakPolarHBondContact O-CG1 3.27Å; Y603-I607 PolarHBondContact O-N 3.46Å; Y603-F645 HydrophobicContact CD2-CZ 4.21Å; Y603-F645 HydrophobicContact CE2-CZ 4.44Å
604	A	95.8	Very high	90.4	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-39.3	177.2	0	0	0	0	0	112	L600 Q601 I607 A608 L649 M652 L653	L600-A604 PolarHBondContact O-N 3.15Å; Q601-A604 PolarHBondContact O-N 2.92Å; A604-I607 PolarHBondContact O-N 3.27Å; A604-A608 WeakPolarHBondContact O-CB 3.46Å; A604-A608 PolarHBondContact O-N 2.77Å; A604-L649 HydrophobicContact CB-CD1 4.28Å; A604-M652 HydrophobicContact CB-CB 4.36Å; A604-M652 HydrophobicContact CB-CE 4.18Å; A604-L653 HydrophobicContact CB-CD2 4.3Å
605	E	95.9	Very high	91.4	Very high	114 Å²	114	41.4 Å²	41.4	53%	0.533	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-43.2	174.4	-73.4	167.1	-157.2	0	0	112.9	Q601 A602 Y603 I607 A608 L609	Q601-E605 WeakPolarHBondContact CG-OE1 3.3Å; Q601-E605 PolarHBondContact NE2-OE1 3.21Å; Q601-E605 WeakPolarHBondContact O-CG 3.3Å; Q601-E605 PolarHBondContact O-N 3.07Å; A602-E605 PolarHBondContact O-N 3.38Å; Y603-E605 VanDerWaalsContact C-N 3.31Å; Y603-E605 PolarHBondContact O-N 3.03Å; E605-I607 VanDerWaalsContact C-N 3.32Å; E605-I607 PolarHBondContact O-N 2.72Å; E605-A608 PolarHBondContact O-N 3.09Å; E605-L609 WeakPolarHBondContact O-CB 3.46Å; E605-L609 PolarHBondContact O-N 3.23Å
606	L	96.5	Very high	92.6	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-34	175.1	-66.7	-179.4	0	0	0	112.8	V548 W568 F571 L572 L575 Y587 A602 Y603 G610	V548-L606 HydrophobicContact CG1-CD1 4.2Å; W568-L606 HydrophobicContact CH2-CD2 4.22Å; F571-L606 HydrophobicContact CE1-CD1 3.79Å; F571-L606 HydrophobicContact CE1-CD2 4.09Å; F571-L606 HydrophobicContact CZ-CD1 4.15Å; L572-L606 HydrophobicContact CD2-CD2 3.43Å; L572-L606 VanDerWaalsContact CD2-CD2 3.43Å; L575-L606 HydrophobicContact CD1-CB 3.93Å; L575-L606 HydrophobicContact CD1-CD2 3.78Å; L575-L606 HydrophobicContact CD1-CG 4.29Å; Y587-L606 WeakPolarHBondContact CE2-O 3.4Å; Y587-L606 PolarHBondContact OH-O 2.78Å; A602-L606 WeakPolarHBondContact O-CG 3.46Å; A602-L606 PolarHBondContact O-N 3.37Å; Y603-L606 PolarHBondContact O-N 3.44Å; L606-G610 PolarHBondContact O-N 3.07Å
607	I	97.1	Very high	93.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-41.8	174.6	-69.9	159.9	0	0	0	110.3	Y587 Y603 A604 E605 L609 Q611 I615 L649 L653 Y656	Y587-I607 HydrophobicContact CD2-CG1 3.77Å; Y587-I607 HydrophobicContact CE2-CB 4.43Å; Y587-I607 HydrophobicContact CE2-CG1 3.9Å; Y603-I607 WeakPolarHBondContact O-CB 3.41Å; Y603-I607 WeakPolarHBondContact O-CD1 3.43Å; Y603-I607 VanDerWaalsContact O-CG1 3.26Å; Y603-I607 WeakPolarHBondContact O-CG1 3.27Å; Y603-I607 PolarHBondContact O-N 3.46Å; A604-I607 PolarHBondContact O-N 3.27Å; E605-I607 VanDerWaalsContact C-N 3.32Å; E605-I607 PolarHBondContact O-N 2.72Å; I607-L609 VanDerWaalsContact C-N 3.27Å; I607-L609 PolarHBondContact O-N 3.07Å; I607-Q611 WeakPolarHBondContact O-CA 3.32Å; I607-Q611 PolarHBondContact O-N 3.48Å; I607-I615 HydrophobicContact CD1-CD1 3.9Å; I607-I615 HydrophobicContact CD1-CG1 4.4Å; I607-I615 HydrophobicContact CD1-CG2 4.32Å; I607-I615 HydrophobicContact CG1-CD1 4.23Å; I607-I615 HydrophobicContact CG1-CG1 4.5Å; I607-I615 HydrophobicContact CG2-CD1 3.78Å; I607-L649 HydrophobicContact CD1-CD1 4.21Å; I607-L649 HydrophobicContact CD1-CD2 4.18Å; I607-L649 HydrophobicContact CD1-CG 4.47Å; I607-L653 HydrophobicContact CB-CD2 4.11Å; I607-L653 HydrophobicContact CD1-CD1 3.98Å; I607-L653 HydrophobicContact CG2-CD1 4Å; I607-L653 HydrophobicContact CG2-CD2 3.64Å; I607-L653 HydrophobicContact CG2-CG 4.49Å; I607-Y656 HydrophobicContact CG2-CE2 4Å
608	A	95.7	Very high	94.4	Very high	59 Å²	59	38.1 Å²	38.1	49%	0.488	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-31	174.7	0	0	0	0	0	113.1	A604 E605 Q611	A604-A608 WeakPolarHBondContact O-CB 3.46Å; A604-A608 PolarHBondContact O-N 2.77Å; E605-A608 PolarHBondContact O-N 3.09Å; A608-Q611 WeakPolarHBondContact O-CG 3.5Å; A608-Q611 PolarHBondContact O-NE2 3.49Å
609	L	95.6	Very high	95	Very high	70 Å²	70	29.8 Å²	29.8	37%	0.366	16%	0.158	S	C	.	.	H	α-helix	trans	-68.2	-40.8	179.4	176.6	63.5	0	0	0	114.1	L572 L575 R576 E605 I607	L572-L609 HydrophobicContact CB-CD2 4.22Å; L572-L609 HydrophobicContact CD2-CD2 3.81Å; L575-L609 HydrophobicContact CB-CD2 4.34Å; L575-L609 HydrophobicContact CD1-CD2 4.42Å; R576-L609 HydrophobicContact CG-CD1 3.9Å; R576-L609 HydrophobicContact CG-CG 4.18Å; E605-L609 WeakPolarHBondContact O-CB 3.46Å; E605-L609 PolarHBondContact O-N 3.23Å; I607-L609 VanDerWaalsContact C-N 3.27Å; I607-L609 PolarHBondContact O-N 3.07Å
610	G	95	Very high	95	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-116.3	-8.2	-174.1	0	0	0	0	0	115.6	L575 G579 Y587 L606	L575-G610 WeakPolarHBondContact O-CA 3.34Å; G579-G610 WeakPolarHBondContact CA-O 3.45Å; Y587-G610 WeakPolarHBondContact OH-CA 3.37Å; Y587-G610 PolarHBondContact OH-N 2.89Å; L606-G610 PolarHBondContact O-N 3.07Å
611	Q	96.9	Very high	94.4	Very high	104 Å²	104	31.6 Å²	31.6	49%	0.486	17%	0.173	S	C	.	.			trans	41.4	55.6	174.1	-55.8	-167.7	6	0	0	115.3	I607 A608 Y656	I607-Q611 WeakPolarHBondContact O-CA 3.32Å; I607-Q611 PolarHBondContact O-N 3.48Å; A608-Q611 WeakPolarHBondContact O-CG 3.5Å; A608-Q611 PolarHBondContact O-NE2 3.49Å; Q611-Y656 VanDerWaalsContact CA-OH 3.27Å; Q611-Y656 WeakPolarHBondContact CA-OH 3.48Å
612	P	98.1	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.			trans	-60.9	154.4	-179.3	30.8	-39.3	0	0	0	111.7	T585 Y587 F614 I615 Y656	T585-P612 WeakPolarHBondContact OG1-CA 3.31Å; Y587-P612 HydrophobicContact CD1-CB 3.74Å; Y587-P612 HydrophobicContact CD1-CG 3.71Å; Y587-P612 HydrophobicContact CD2-CG 3.92Å; Y587-P612 HydrophobicContact CE1-CB 4Å; Y587-P612 HydrophobicContact CE1-CG 3.9Å; Y587-P612 HydrophobicContact CE2-CG 4.12Å; Y587-P612 HydrophobicContact CG-CB 4.16Å; Y587-P612 HydrophobicContact CG-CG 3.69Å; P612-F614 VanDerWaalsContact C-N 3.26Å; P612-F614 PolarHBondContact O-N 2.88Å; P612-I615 HydrophobicContact CG-CG1 4.1Å; P612-Y656 WeakPolarHBondContact O-CE1 3.48Å; P612-Y656 PolarHBondContact O-OH 3.31Å
613	D	98.6	Very high	92.1	Very high	5 Å²	5	33 Å²	33	3%	0.027	18%	0.183	C	C	.	.	S	Bend	trans	-62.6	-36.6	175.1	-65.2	-63.2	0	0	0	112	R584 T585 H672 K674 F675	R584-D613 VanDerWaalsContact CA-OD2 3.31Å; R584-D613 WeakPolarHBondContact CA-OD2 3.11Å; T585-D613 PolarHBondContact N-OD2 2.91Å; T585-D613 WeakPolarHBondContact O-CB 3.43Å; T585-D613 PolarHBondContact O-N 2.81Å; T585-D613 PolarHBondContact OG1-N 3.36Å; T585-D613 PolarHBondContact OG1-OD2 2.64Å; D613-H672 PolarHBondContact O-N 2.92Å; D613-K674 WeakPolarHBondContact OD1-CE 3.39Å; D613-K674 IonicContact OD1-NZ 2.66Å; D613-K674 PolarHBondContact OD1-NZ 3.06Å; D613-F675 HydrophobicContact CB-CE2 3.5Å; D613-F675 HydrophobicContact CB-CZ 3.77Å; D613-F675 VanDerWaalsContact OD1-CE2 3.32Å; D613-F675 WeakPolarHBondContact OD1-CE2 3.49Å; D613-F675 WeakPolarHBondContact OD1-CZ 3.3Å
614	F	98.8	Very high	90.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.7	-175.1	-54.5	-76.3	0	0	0	112.7	Y415 R584 T585 V586 Y587 P612 L669 I670 A671 F675 T683	Y415-F614 HydrophobicContact CE1-CD1 4.41Å; Y415-F614 HydrophobicContact CE1-CD2 4.38Å; Y415-F614 HydrophobicContact CE1-CG 4.24Å; R584-F614 HydrophobicContact CB-CE2 4.49Å; R584-F614 HydrophobicContact CG-CE2 4.41Å; R584-F614 VanDerWaalsContact CZ-CE2 3.47Å; R584-F614 VanDerWaalsContact NH2-CE2 3.25Å; R584-F614 VanDerWaalsContact NH2-CZ 3.34Å; T585-F614 PolarHBondContact O-N 2.84Å; T585-F614 VanDerWaalsContact O-N 3.1Å; V586-F614 WeakPolarHBondContact CA-O 3.31Å; V586-F614 HydrophobicContact CG1-CB 4.23Å; V586-F614 HydrophobicContact CG2-CB 4.2Å; V586-F614 HydrophobicContact CG2-CD2 4.3Å; Y587-F614 PolarHBondContact N-O 3.12Å; P612-F614 VanDerWaalsContact C-N 3.26Å; P612-F614 PolarHBondContact O-N 2.88Å; F614-L669 HydrophobicContact CB-CD1 3.86Å; F614-L669 HydrophobicContact CD1-CD1 4.04Å; F614-L669 HydrophobicContact CD1-CD2 4.27Å; F614-L669 HydrophobicContact CD1-CG 4.36Å; F614-L669 HydrophobicContact CG-CD1 4.27Å; F614-I670 WeakPolarHBondContact CA-O 3.42Å; F614-A671 HydrophobicContact CD1-CB 3.73Å; F614-A671 HydrophobicContact CE1-CB 3.85Å; F614-F675 HydrophobicContact CE1-CD1 4.47Å; F614-F675 HydrophobicContact CE1-CD2 4.02Å; F614-F675 HydrophobicContact CE1-CE2 4.35Å; F614-F675 HydrophobicContact CE1-CG 4.1Å; F614-F675 HydrophobicContact CE2-CE1 4.27Å; F614-F675 HydrophobicContact CE2-CE2 4.14Å; F614-F675 AromaticContact CE2-CZ 3.97Å; F614-F675 HydrophobicContact CE2-CZ 3.97Å; F614-F675 AromaticContact CZ-CD1 3.81Å; F614-F675 HydrophobicContact CZ-CD1 3.81Å; F614-F675 AromaticContact CZ-CD2 3.81Å; F614-F675 HydrophobicContact CZ-CD2 3.81Å; F614-F675 AromaticContact CZ-CE1 3.76Å; F614-F675 HydrophobicContact CZ-CE1 3.76Å; F614-F675 AromaticContact CZ-CE2 3.78Å; F614-F675 HydrophobicContact CZ-CE2 3.78Å; F614-F675 AromaticContact CZ-CG 3.84Å; F614-F675 HydrophobicContact CZ-CG 3.84Å; F614-F675 AromaticContact CZ-CZ 3.76Å; F614-F675 HydrophobicContact CZ-CZ 3.76Å; F614-T683 HydrophobicContact CE1-CG2 4.09Å
615	I	98.6	Very high	88.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.5	175.2	-52.9	152.9	0	0	0	106.7	Y587 L589 I607 P612 V617 L653 Y656 I670	Y587-I615 CarbonylContact O-C 3.57Å; Y587-I615 WeakPolarHBondContact O-CA 3.48Å; L589-I615 HydrophobicContact CD1-CG2 3.68Å; I607-I615 HydrophobicContact CD1-CD1 3.9Å; I607-I615 HydrophobicContact CD1-CG1 4.4Å; I607-I615 HydrophobicContact CD1-CG2 4.32Å; I607-I615 HydrophobicContact CG1-CD1 4.23Å; I607-I615 HydrophobicContact CG1-CG1 4.5Å; I607-I615 HydrophobicContact CG2-CD1 3.78Å; P612-I615 HydrophobicContact CG-CG1 4.1Å; I615-V617 HydrophobicContact CG2-CG2 3.99Å; I615-L653 HydrophobicContact CD1-CD1 3.98Å; I615-Y656 HydrophobicContact CD1-CD1 3.59Å; I615-Y656 HydrophobicContact CD1-CE1 3.73Å; I615-Y656 HydrophobicContact CD1-CG 4.16Å; I615-Y656 HydrophobicContact CG1-CD1 4.46Å; I615-Y656 HydrophobicContact CG1-CE1 4.28Å; I615-I670 HydrophobicContact CB-CB 4.1Å; I615-I670 HydrophobicContact CB-CD1 4.46Å; I615-I670 HydrophobicContact CB-CG1 4.35Å; I615-I670 HydrophobicContact CD1-CB 4.17Å; I615-I670 HydrophobicContact CD1-CD1 4.39Å; I615-I670 HydrophobicContact CG2-CD1 4.42Å; I615-I670 PolarHBondContact N-O 3.25Å; I615-I670 PolarHBondContact O-N 3Å
616	E	98.3	Very high	86.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.1	170.1	-72.4	-177.8	-172.8	0	0	108.4	Y410 F414 Y415 Y545 V586 Y587 R588 L589 L669	Y410-E616 VanDerWaalsContact CE2-CD 3.41Å; Y410-E616 HydrophobicContact CE2-CG 4.23Å; Y410-E616 WeakPolarHBondContact CE2-OE1 3.17Å; Y410-E616 VanDerWaalsContact CE2-OE2 3.27Å; Y410-E616 WeakPolarHBondContact CE2-OE2 3.12Å; Y410-E616 PolarHBondContact OH-OE2 3.5Å; F414-E616 HydrophobicContact CD2-CG 4.25Å; F414-E616 HydrophobicContact CE2-CG 4.24Å; Y415-E616 VanDerWaalsContact CE2-OE1 3.23Å; Y415-E616 WeakPolarHBondContact CE2-OE1 3.26Å; Y415-E616 WeakPolarHBondContact OH-CG 3.48Å; Y415-E616 PolarHBondContact OH-OE1 2.78Å; Y415-E616 VanDerWaalsContact OH-OE1 3.06Å; Y545-E616 VanDerWaalsContact CE1-CD 3.47Å; Y545-E616 WeakPolarHBondContact CE1-OE1 3.33Å; Y545-E616 PolarHBondContact OH-OE1 3.25Å; V586-E616 HydrophobicContact CG1-CB 4.37Å; V586-E616 HydrophobicContact CG1-CG 3.86Å; Y587-E616 PolarHBondContact O-N 3.16Å; R588-E616 CarbonylContact C-O 3.58Å; R588-E616 WeakPolarHBondContact CA-O 3.35Å; R588-E616 HydrophobicContact CB-CB 4.3Å; R588-E616 HydrophobicContact CG-CB 4.1Å; L589-E616 PolarHBondContact N-O 2.89Å; E616-L669 HydrophobicContact CG-CD1 4.32Å
617	V	96.7	Very high	84.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.1	170	-174.5	0	0	0	0	108.2	L589 L591 I615 V642 F645 V646 L649 C667 L668	L589-V617 HydrophobicContact CB-CG2 4.49Å; L589-V617 HydrophobicContact CD2-CG2 4.34Å; L591-V617 HydrophobicContact CB-CG1 4.41Å; I615-V617 HydrophobicContact CG2-CG2 3.99Å; V617-V642 HydrophobicContact CG1-CG1 4.08Å; V617-F645 HydrophobicContact CG1-CD1 4Å; V617-F645 HydrophobicContact CG1-CE1 4.06Å; V617-V646 HydrophobicContact CB-CG2 3.51Å; V617-V646 HydrophobicContact CG1-CG2 3.68Å; V617-V646 HydrophobicContact CG2-CG2 3.83Å; V617-L649 HydrophobicContact CG2-CD2 4.4Å; V617-C667 CarbonylContact O-C 3.51Å; V617-C667 VanDerWaalsContact O-CA 3.31Å; V617-C667 WeakPolarHBondContact O-CA 3.34Å; V617-C667 PolarHBondContact O-SG 3.03Å; V617-L668 PolarHBondContact N-O 3.38Å; V617-L668 PolarHBondContact O-N 2.97Å
618	K	93.2	Very high	81.9	Confident	56 Å²	56	46.2 Å²	46.2	24%	0.243	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129	-172.9	-172	-176.5	171.6	-161.6	0	112	L589 T590 L591 V620 S665 N666 C667	L589-K618 PolarHBondContact O-N 2.97Å; T590-K618 CarbonylContact C-O 3.57Å; T590-K618 WeakPolarHBondContact CA-O 3.24Å; L591-K618 PolarHBondContact N-O 3.43Å; K618-V620 PolarHBondContact O-N 2.96Å; K618-S665 WeakPolarHBondContact CE-O 3.34Å; K618-N666 WeakPolarHBondContact CA-O 3.26Å; K618-C667 HydrophobicContact CB-CB 4.24Å; K618-C667 HydrophobicContact CG-CB 4Å
619	G	90	Very high	80.3	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	133.6	171	0	0	0	0	0	112.1	T621 N666	G619-T621 PolarHBondContact O-N 2.93Å; G619-N666 PolarHBondContact N-O 2.79Å
620	V	83.8	Confident	79	Confident	14 Å²	14	45.5 Å²	45.5	9%	0.085	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-56	133.6	177.8	66.7	0	0	0	0	111.1	T590 L591 V592 K618 N635 V636	T590-V620 HydrophobicContact CG2-CB 3.83Å; T590-V620 HydrophobicContact CG2-CG2 4Å; L591-V620 PolarHBondContact O-N 3.31Å; V592-V620 HydrophobicContact CB-CG1 4.42Å; V592-V620 HydrophobicContact CG1-CG1 4.39Å; V592-V620 HydrophobicContact CG2-CB 3.9Å; V592-V620 HydrophobicContact CG2-CG1 4.13Å; V592-V620 HydrophobicContact CG2-CG2 4.18Å; K618-V620 PolarHBondContact O-N 2.96Å; V620-N635 WeakPolarHBondContact CG1-O 3.15Å; V620-V636 HydrophobicContact CG1-CG2 4.45Å; V620-V636 WeakPolarHBondContact O-CG1 3.33Å
621	T	76.8	Confident	77.9	Confident	82 Å²	82	46.3 Å²	46.3	50%	0.503	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-95.1	121.7	175	-51.9	0	0	0	0	108.6	G619 C623	G619-T621 PolarHBondContact O-N 2.93Å; T621-C623 PolarHBondContact O-N 3.06Å
622	Y	75.4	Confident	77.1	Confident	63 Å²	63	44.3 Å²	44.3	25%	0.247	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.5	132.3	175.8	-170.6	-119.8	0	0	0	111.3	E625 L631 M633	Y622-E625 WeakPolarHBondContact OH-CG 3.36Å; Y622-L631 WeakPolarHBondContact CE2-O 3.37Å; Y622-M633 VanDerWaalsContact CB-SD 3.53Å; Y622-M633 HydrophobicContact CD1-CG 3.72Å; Y622-M633 HydrophobicContact CD1-SD 3.46Å; Y622-M633 WeakPolarHBondContact CD1-SD 3.49Å; Y622-M633 HydrophobicContact CE1-CG 3.94Å; Y622-M633 HydrophobicContact CE1-SD 4.29Å; Y622-M633 HydrophobicContact CG-CG 4.18Å; Y622-M633 HydrophobicContact CG-SD 3.68Å
623	C	61.3	Low	76.3	Confident	97 Å²	97	50 Å²	50	66%	0.655	30%	0.301	S	S	*	.			trans	-112.6	6.7	-176.6	-68.4	0	0	0	0	114.1	W439 T621	W439-C623 HydrophobicContact CB-CB 4.19Å; T621-C623 PolarHBondContact O-N 3.06Å
624	G	61.4	Low	75.6	Confident	42 Å²	42	53.4 Å²	53.4	43%	0.433	33%	0.33	S	S	.	.			trans	105.1	172.5	-172.6	0	0	0	0	0	112.5
625	E	53.6	Low	74.9	Confident	176 Å²	176	54.5 Å²	54.5	82%	0.822	34%	0.335	S	S	*	.			trans	-78.7	148.4	178.8	-65.1	176.6	-161.9	0	0	110.7	Y622	Y622-E625 WeakPolarHBondContact OH-CG 3.36Å
626	S	54.5	Low	74.3	Confident	49 Å²	49	56.3 Å²	56.3	34%	0.343	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-151.9	145.3	167.1	69.2	0	0	0	0	110	A628 S629	S626-A628 PolarHBondContact O-N 2.93Å; S626-S629 PolarHBondContact O-N 3.12Å
627	S	48.3	Very low	73.9	Confident	127 Å²	127	56.6 Å²	56.6	89%	0.888	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.8	-179.2	50.9	0	0	0	0	114.7
628	A	48.8	Very low	73.6	Confident	21 Å²	21	66 Å²	66	17%	0.174	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.2	-178.8	0	0	0	0	0	115.2	H441 H442 S626	H441-A628 HydrophobicContact CB-CB 4.3Å; H442-A628 VanDerWaalsContact NE2-CB 3.28Å; H442-A628 WeakPolarHBondContact NE2-CB 3.27Å; S626-A628 PolarHBondContact O-N 2.93Å
629	S	62.9	Low	73.5	Confident	22 Å²	22	64.4 Å²	64.4	15%	0.154	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-132	120.6	-176.4	-168.9	0	0	0	0	111.7	V436 S626 L631	V436-S629 WeakPolarHBondContact O-CB 3.42Å; V436-S629 PolarHBondContact O-OG 3.39Å; S626-S629 PolarHBondContact O-N 3.12Å; S629-L631 PolarHBondContact O-N 3.48Å
630	S	67.5	Low	73.7	Confident	91 Å²	91	70.6 Å²	70.6	64%	0.636	41%	0.405	S	S	*	.			trans	-87.8	19.5	175.6	56.4	0	0	0	0	113.4
631	L	73.6	Confident	74.1	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.11	42%	0.417	C	S	.	.			trans	-73.8	140.4	170.8	-65.8	175.4	0	0	0	109.9	F437 V592 W595 Y622 S629 N635	F437-L631 HydrophobicContact CB-CD1 3.92Å; V592-L631 HydrophobicContact CG1-CD2 3.56Å; W595-L631 HydrophobicContact CZ2-CD2 4.36Å; Y622-L631 WeakPolarHBondContact CE2-O 3.37Å; S629-L631 PolarHBondContact O-N 3.48Å; L631-N635 HydrophobicContact CD2-CB 4.18Å
632	T	80.3	Confident	74.9	Confident	62 Å²	62	69.3 Å²	69.3	38%	0.38	39%	0.393	S	S	.	.			trans	-130.9	172.7	178.1	68.8	0	0	0	0	110.4	A634 N635	T632-A634 PolarHBondContact O-N 3.22Å; T632-A634 VanDerWaalsContact O-N 3.15Å; T632-A634 PolarHBondContact OG1-N 2.93Å; T632-N635 PolarHBondContact N-OD1 2.94Å; T632-N635 WeakPolarHBondContact O-CB 3.4Å; T632-N635 PolarHBondContact O-N 3.32Å; T632-N635 PolarHBondContact OG1-OD1 3.39Å
633	M	80	Confident	75.9	Confident	120 Å²	120	67.3 Å²	67.3	59%	0.591	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-56.4	-25.3	169.2	-80.8	-61.2	-52	0	0	113.6	Y622 N635 V636	Y622-M633 VanDerWaalsContact CB-SD 3.53Å; Y622-M633 HydrophobicContact CD1-CG 3.72Å; Y622-M633 HydrophobicContact CD1-SD 3.46Å; Y622-M633 WeakPolarHBondContact CD1-SD 3.49Å; Y622-M633 HydrophobicContact CE1-CG 3.94Å; Y622-M633 HydrophobicContact CE1-SD 4.29Å; Y622-M633 HydrophobicContact CG-CG 4.18Å; Y622-M633 HydrophobicContact CG-SD 3.68Å; M633-N635 PolarHBondContact O-N 2.82Å; M633-V636 HydrophobicContact CE-CG2 4.43Å; M633-V636 WeakPolarHBondContact O-CB 3.22Å; M633-V636 PolarHBondContact O-N 3.41Å; M633-V636 HydrophobicContact SD-CG2 4.37Å
634	A	84.3	Confident	77.6	Confident	76 Å²	76	65 Å²	65	63%	0.628	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-73.3	-15.1	176.6	0	0	0	0	0	113.6	T632	T632-A634 PolarHBondContact O-N 3.22Å; T632-A634 VanDerWaalsContact O-N 3.15Å; T632-A634 PolarHBondContact OG1-N 2.93Å
635	N	84.9	Confident	79.2	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.118	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-87.6	-7	175.2	-57.6	101.5	0	0	0	113.1	V592 K593 V620 L631 T632 M633 P637	V592-N635 HydrophobicContact CG1-CB 4.23Å; K593-N635 WeakPolarHBondContact CB-O 3.24Å; K593-N635 PolarHBondContact N-O 2.81Å; K593-N635 PolarHBondContact O-ND2 2.88Å; V620-N635 WeakPolarHBondContact CG1-O 3.15Å; L631-N635 HydrophobicContact CD2-CB 4.18Å; T632-N635 PolarHBondContact N-OD1 2.94Å; T632-N635 WeakPolarHBondContact O-CB 3.4Å; T632-N635 PolarHBondContact O-N 3.32Å; T632-N635 PolarHBondContact OG1-OD1 3.39Å; M633-N635 PolarHBondContact O-N 2.82Å; N635-P637 WeakPolarHBondContact O-CD 3.44Å
636	V	85.9	Confident	81.2	Confident	39 Å²	39	55.1 Å²	55.1	24%	0.236	32%	0.317	C	S	.	.	S	Bend	trans	-77.7	117.6	172.7	179	0	0	0	0	108.8	V620 M633	V620-V636 HydrophobicContact CG1-CG2 4.45Å; V620-V636 WeakPolarHBondContact O-CG1 3.33Å; M633-V636 HydrophobicContact CE-CG2 4.43Å; M633-V636 WeakPolarHBondContact O-CB 3.22Å; M633-V636 PolarHBondContact O-N 3.41Å; M633-V636 HydrophobicContact SD-CG2 4.37Å
637	P	88.6	Confident	83.3	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.032	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-73.3	147.6	175.8	30.8	-34.3	0	0	0	111.1	N635 E641 V642 N666	N635-P637 WeakPolarHBondContact O-CD 3.44Å; P637-E641 WeakPolarHBondContact CA-OE2 3.35Å; P637-E641 HydrophobicContact CB-CB 4.2Å; P637-V642 HydrophobicContact CB-CG2 3.92Å; P637-V642 HydrophobicContact CG-CG2 3.7Å; P637-N666 PolarHBondContact O-ND2 3.33Å
638	W	90.3	Very high	85.6	Confident	197 Å²	197	55.4 Å²	55.4	75%	0.746	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-70.8	161.3	166.9	-65	96.5	0	0	0	110.9	Q640 E641 V642	W638-Q640 VanDerWaalsContact C-N 3.34Å; W638-Q640 PolarHBondContact O-N 2.96Å; W638-E641 HydrophobicContact CB-CG 4.18Å; W638-E641 PolarHBondContact N-OE2 3.5Å; W638-E641 WeakPolarHBondContact O-CB 3.41Å; W638-E641 PolarHBondContact O-N 3.42Å; W638-E641 VanDerWaalsContact O-N 3.08Å; W638-V642 PolarHBondContact O-N 2.88Å
639	H	92.1	Very high	87.8	Confident	23 Å²	23	54.4 Å²	54.4	11%	0.106	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-42.9	-177.4	-170.5	41.9	0	0	0	112.8	E641 V642 V643 E661 N666	H639-E641 PolarHBondContact O-N 3.08Å; H639-V642 PolarHBondContact O-N 3.05Å; H639-V643 WeakPolarHBondContact O-CG2 3.03Å; H639-V643 PolarHBondContact O-N 2.74Å; H639-E661 IonicContact NE2-OE2 3.76Å; H639-N666 WeakPolarHBondContact CA-OD1 3.28Å; H639-N666 PolarHBondContact ND1-OD1 2.88Å
640	Q	93.4	Very high	89.4	Confident	134 Å²	134	53.7 Å²	53.7	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-62.4	-27.7	176.2	-61.9	-60.6	-27.8	0	0	113.3	W638 A644	W638-Q640 VanDerWaalsContact C-N 3.34Å; W638-Q640 PolarHBondContact O-N 2.96Å; Q640-A644 VanDerWaalsContact O-CB 3.32Å; Q640-A644 WeakPolarHBondContact O-CB 3.41Å; Q640-A644 PolarHBondContact O-N 3.47Å
641	E	92.7	Very high	90.8	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-72.2	-37.1	173.8	-61.7	-179.2	128	0	0	111.4	K593 P637 W638 H639 F645	K593-E641 WeakPolarHBondContact CE-OE1 3.47Å; K593-E641 IonicContact NZ-OE1 2.83Å; K593-E641 PolarHBondContact NZ-OE1 3.26Å; K593-E641 IonicContact NZ-OE2 3.25Å; K593-E641 PolarHBondContact NZ-OE2 2.93Å; P637-E641 WeakPolarHBondContact CA-OE2 3.35Å; P637-E641 HydrophobicContact CB-CB 4.2Å; W638-E641 HydrophobicContact CB-CG 4.18Å; W638-E641 PolarHBondContact N-OE2 3.5Å; W638-E641 WeakPolarHBondContact O-CB 3.41Å; W638-E641 PolarHBondContact O-N 3.42Å; W638-E641 VanDerWaalsContact O-N 3.08Å; H639-E641 PolarHBondContact O-N 3.08Å; E641-F645 WeakPolarHBondContact O-CB 3.4Å; E641-F645 PolarHBondContact O-N 3.44Å
642	V	94.3	Very high	91.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.4	-41.4	173.7	-172	0	0	0	0	110.8	L591 V617 P637 W638 H639 A644 F645 V646 N666 L668	L591-V642 HydrophobicContact CD2-CG1 4.45Å; L591-V642 HydrophobicContact CD2-CG2 4.13Å; V617-V642 HydrophobicContact CG1-CG1 4.08Å; P637-V642 HydrophobicContact CB-CG2 3.92Å; P637-V642 HydrophobicContact CG-CG2 3.7Å; W638-V642 PolarHBondContact O-N 2.88Å; H639-V642 PolarHBondContact O-N 3.05Å; V642-A644 PolarHBondContact O-N 2.88Å; V642-F645 PolarHBondContact O-N 3.38Å; V642-V646 HydrophobicContact CG1-CG2 4.11Å; V642-V646 VanDerWaalsContact O-CB 3.25Å; V642-V646 WeakPolarHBondContact O-CB 3.31Å; V642-V646 WeakPolarHBondContact O-CG2 3.32Å; V642-V646 PolarHBondContact O-N 3.1Å; V642-N666 WeakPolarHBondContact CB-OD1 3.3Å; V642-N666 VanDerWaalsContact CG2-ND2 3.34Å; V642-N666 WeakPolarHBondContact CG2-ND2 3.41Å; V642-N666 WeakPolarHBondContact CG2-OD1 3.39Å; V642-L668 HydrophobicContact CB-CD1 4.24Å; V642-L668 HydrophobicContact CG1-CD1 3.77Å
643	V	96.3	Very high	92.7	Very high	21 Å²	21	54.7 Å²	54.7	13%	0.127	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-49	173	175.3	0	0	0	0	110.6	H639 F645 V646 Q647 L668 F721	H639-V643 WeakPolarHBondContact O-CG2 3.03Å; H639-V643 PolarHBondContact O-N 2.74Å; V643-F645 PolarHBondContact O-N 3Å; V643-V646 PolarHBondContact O-N 2.92Å; V643-Q647 WeakPolarHBondContact O-CB 3.48Å; V643-Q647 PolarHBondContact O-N 3.19Å; V643-L668 HydrophobicContact CG2-CD1 3.98Å; V643-L668 HydrophobicContact CG2-CD2 4.14Å; V643-F721 HydrophobicContact CG1-CE2 4.07Å; V643-F721 HydrophobicContact CG1-CZ 3.99Å
644	A	95.6	Very high	93.4	Very high	48 Å²	48	53.6 Å²	53.6	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-40.1	-179.9	0	0	0	0	0	113.1	Q640 V642 Q648	Q640-A644 VanDerWaalsContact O-CB 3.32Å; Q640-A644 WeakPolarHBondContact O-CB 3.41Å; Q640-A644 PolarHBondContact O-N 3.47Å; V642-A644 PolarHBondContact O-N 2.88Å; A644-Q648 WeakPolarHBondContact O-CG 3.48Å; A644-Q648 PolarHBondContact O-N 2.84Å; A644-Q648 PolarHBondContact O-NE2 3.04Å
645	F	95.3	Very high	94	Very high	11 Å²	11	55 Å²	55	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-44.4	173.3	177.1	-86.6	0	0	0	111.6	L591 L600 Y603 V617 E641 V642 V643 Q648 L649	L591-F645 HydrophobicContact CD1-CD1 3.97Å; L591-F645 HydrophobicContact CD1-CD2 3.83Å; L591-F645 HydrophobicContact CD1-CE1 3.79Å; L591-F645 HydrophobicContact CD1-CE2 3.63Å; L591-F645 HydrophobicContact CD1-CG 4Å; L591-F645 HydrophobicContact CD1-CZ 3.61Å; L591-F645 HydrophobicContact CD2-CB 3.94Å; L591-F645 HydrophobicContact CD2-CD1 4.02Å; L591-F645 HydrophobicContact CD2-CD2 4.27Å; L591-F645 HydrophobicContact CD2-CG 3.82Å; L600-F645 HydrophobicContact CD1-CD2 3.81Å; L600-F645 HydrophobicContact CD1-CE2 3.54Å; L600-F645 HydrophobicContact CD2-CD2 4.44Å; L600-F645 HydrophobicContact CG-CD2 4.07Å; L600-F645 HydrophobicContact CG-CE2 3.7Å; L600-F645 HydrophobicContact CG-CZ 4.28Å; Y603-F645 HydrophobicContact CD2-CZ 4.21Å; Y603-F645 HydrophobicContact CE2-CZ 4.44Å; V617-F645 HydrophobicContact CG1-CD1 4Å; V617-F645 HydrophobicContact CG1-CE1 4.06Å; E641-F645 WeakPolarHBondContact O-CB 3.4Å; E641-F645 PolarHBondContact O-N 3.44Å; V642-F645 PolarHBondContact O-N 3.38Å; V643-F645 PolarHBondContact O-N 3Å; F645-Q648 PolarHBondContact O-N 3.36Å; F645-L649 HydrophobicContact CE1-CD2 3.99Å; F645-L649 WeakPolarHBondContact O-CB 3.38Å; F645-L649 PolarHBondContact O-N 3.19Å
646	V	96.8	Very high	94.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-36.4	-178	167.8	0	0	0	0	112.2	V617 V642 V643 A650 I658 L668 I670	V617-V646 HydrophobicContact CB-CG2 3.51Å; V617-V646 HydrophobicContact CG1-CG2 3.68Å; V617-V646 HydrophobicContact CG2-CG2 3.83Å; V642-V646 HydrophobicContact CG1-CG2 4.11Å; V642-V646 VanDerWaalsContact O-CB 3.25Å; V642-V646 WeakPolarHBondContact O-CB 3.31Å; V642-V646 WeakPolarHBondContact O-CG2 3.32Å; V642-V646 PolarHBondContact O-N 3.1Å; V643-V646 PolarHBondContact O-N 2.92Å; V646-A650 VanDerWaalsContact O-CB 3.25Å; V646-A650 WeakPolarHBondContact O-CB 3.39Å; V646-A650 PolarHBondContact O-N 3.28Å; V646-I658 HydrophobicContact CG1-CD1 3.86Å; V646-I658 HydrophobicContact CG1-CG1 3.94Å; V646-L668 HydrophobicContact CB-CB 4.48Å; V646-L668 HydrophobicContact CB-CD2 4.46Å; V646-L668 HydrophobicContact CG1-CB 3.97Å; V646-L668 HydrophobicContact CG1-CD2 4.07Å; V646-L668 HydrophobicContact CG2-CB 4.17Å; V646-L668 HydrophobicContact CG2-CD1 4.31Å; V646-I670 HydrophobicContact CG1-CD1 4.08Å; V646-I670 HydrophobicContact CG1-CG1 3.86Å
647	Q	97.2	Very high	95.3	Very high	74 Å²	74	55.9 Å²	55.9	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-52.7	174.2	-172.2	61.8	63.3	0	0	110.9	V643 L649 A650 D651 I658	V643-Q647 WeakPolarHBondContact O-CB 3.48Å; V643-Q647 PolarHBondContact O-N 3.19Å; Q647-L649 VanDerWaalsContact C-N 3.31Å; Q647-L649 PolarHBondContact O-N 2.66Å; Q647-A650 PolarHBondContact O-N 2.68Å; Q647-A650 VanDerWaalsContact O-N 3.08Å; Q647-D651 PolarHBondContact NE2-OD1 3.46Å; Q647-D651 PolarHBondContact O-N 2.54Å; Q647-I658 HydrophobicContact CB-CD1 4.48Å
648	Q	96.6	Very high	95.8	Very high	108 Å²	108	56.2 Å²	56.2	51%	0.505	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-43.9	176.9	-72.3	168.2	86.9	0	0	112	L600 A644 F645 D651 M652	L600-Q648 HydrophobicContact CD2-CB 3.5Å; L600-Q648 VanDerWaalsContact CD2-CB 3.5Å; A644-Q648 WeakPolarHBondContact O-CG 3.48Å; A644-Q648 PolarHBondContact O-N 2.84Å; A644-Q648 PolarHBondContact O-NE2 3.04Å; F645-Q648 PolarHBondContact O-N 3.36Å; Q648-D651 PolarHBondContact O-N 3.07Å; Q648-M652 WeakPolarHBondContact O-CG 3.34Å; Q648-M652 PolarHBondContact O-N 2.9Å
649	L	96.2	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-39.7	176.4	-177	60.8	0	0	0	112.2	L589 A604 I607 V617 F645 Q647 M652 L653 I670	L589-L649 HydrophobicContact CD2-CD2 4.26Å; A604-L649 HydrophobicContact CB-CD1 4.28Å; I607-L649 HydrophobicContact CD1-CD1 4.21Å; I607-L649 HydrophobicContact CD1-CD2 4.18Å; I607-L649 HydrophobicContact CD1-CG 4.47Å; V617-L649 HydrophobicContact CG2-CD2 4.4Å; F645-L649 HydrophobicContact CE1-CD2 3.99Å; F645-L649 WeakPolarHBondContact O-CB 3.38Å; F645-L649 PolarHBondContact O-N 3.19Å; Q647-L649 VanDerWaalsContact C-N 3.31Å; Q647-L649 PolarHBondContact O-N 2.66Å; L649-M652 PolarHBondContact O-N 2.82Å; L649-L653 HydrophobicContact CD1-CD1 4.19Å; L649-L653 HydrophobicContact CG-CD1 4.05Å; L649-L653 VanDerWaalsContact O-CD1 3.27Å; L649-L653 WeakPolarHBondContact O-CD1 3.39Å; L649-L653 WeakPolarHBondContact O-CG 3.47Å; L649-I670 HydrophobicContact CD2-CD1 4.14Å; L649-I670 HydrophobicContact CG-CD1 4.25Å
650	A	96.8	Very high	96.5	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-35.4	177	0	0	0	0	0	112.7	V646 Q647 M652 L653 I658 I670	V646-A650 VanDerWaalsContact O-CB 3.25Å; V646-A650 WeakPolarHBondContact O-CB 3.39Å; V646-A650 PolarHBondContact O-N 3.28Å; Q647-A650 PolarHBondContact O-N 2.68Å; Q647-A650 VanDerWaalsContact O-N 3.08Å; A650-M652 VanDerWaalsContact C-N 3.26Å; A650-M652 PolarHBondContact O-N 3.36Å; A650-L653 PolarHBondContact O-N 3.01Å; A650-L653 VanDerWaalsContact O-N 3.08Å; A650-I658 HydrophobicContact CB-CG1 4Å; A650-I670 HydrophobicContact CB-CD1 4.37Å; A650-I670 HydrophobicContact CB-CG2 4.16Å
651	D	96.6	Very high	96.7	Very high	114 Å²	114	40 Å²	40	61%	0.61	21%	0.211	S	C	*	.	H	α-helix	trans	-66.4	-29.4	177.6	-63.2	-25.2	0	0	0	111.8	Q647 Q648 L653	Q647-D651 PolarHBondContact NE2-OD1 3.46Å; Q647-D651 PolarHBondContact O-N 2.54Å; Q648-D651 PolarHBondContact O-N 3.07Å; D651-L653 VanDerWaalsContact C-N 3.28Å; D651-L653 PolarHBondContact O-N 3.05Å
652	M	96.7	Very high	96.8	Very high	72 Å²	72	36.8 Å²	36.8	36%	0.355	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.8	173.1	-64.2	172.9	75.3	0	0	113.9	L600 Q601 A604 Q648 L649 A650 P654	L600-M652 HydrophobicContact CB-SD 4.12Å; Q601-M652 HydrophobicContact CB-CE 4.2Å; A604-M652 HydrophobicContact CB-CB 4.36Å; A604-M652 HydrophobicContact CB-CE 4.18Å; Q648-M652 WeakPolarHBondContact O-CG 3.34Å; Q648-M652 PolarHBondContact O-N 2.9Å; L649-M652 PolarHBondContact O-N 2.82Å; A650-M652 VanDerWaalsContact C-N 3.26Å; A650-M652 PolarHBondContact O-N 3.36Å; M652-P654 WeakPolarHBondContact O-CD 3.47Å
653	L	97.1	Very high	96.8	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	21%	0.208	C	C	.	.			trans	-118	90.1	-169.1	-70	172	0	0	0	112.2	A604 I607 I615 L649 A650 D651 H655 Y656 R673	A604-L653 HydrophobicContact CB-CD2 4.3Å; I607-L653 HydrophobicContact CB-CD2 4.11Å; I607-L653 HydrophobicContact CD1-CD1 3.98Å; I607-L653 HydrophobicContact CG2-CD1 4Å; I607-L653 HydrophobicContact CG2-CD2 3.64Å; I607-L653 HydrophobicContact CG2-CG 4.49Å; I615-L653 HydrophobicContact CD1-CD1 3.98Å; L649-L653 HydrophobicContact CD1-CD1 4.19Å; L649-L653 HydrophobicContact CG-CD1 4.05Å; L649-L653 VanDerWaalsContact O-CD1 3.27Å; L649-L653 WeakPolarHBondContact O-CD1 3.39Å; L649-L653 WeakPolarHBondContact O-CG 3.47Å; A650-L653 PolarHBondContact O-N 3.01Å; A650-L653 VanDerWaalsContact O-N 3.08Å; D651-L653 VanDerWaalsContact C-N 3.28Å; D651-L653 PolarHBondContact O-N 3.05Å; L653-H655 PolarHBondContact O-N 3.34Å; L653-Y656 HydrophobicContact CB-CD2 3.91Å; L653-Y656 HydrophobicContact CB-CG 4.21Å; L653-Y656 HydrophobicContact CD1-CD2 4.49Å; L653-Y656 HydrophobicContact CD1-CG 4.47Å; L653-Y656 HydrophobicContact CD2-CD2 4.46Å; L653-Y656 PolarHBondContact O-N 2.84Å; L653-R673 PolarHBondContact O-NH1 3.28Å
654	P	94.9	Very high	96.4	Very high	97 Å²	97	42.2 Å²	42.2	63%	0.63	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.7	-169.6	25.9	-35.8	0	0	0	115.3	M652 R673	M652-P654 WeakPolarHBondContact O-CD 3.47Å; P654-R673 PolarHBondContact O-NH1 3.26Å
655	H	96.9	Very high	96.1	Very high	106 Å²	106	40.5 Å²	40.5	49%	0.491	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	2.2	173.7	-55.7	-51.9	0	0	0	114.5	L653 H672 R673	L653-H655 PolarHBondContact O-N 3.34Å; H655-H672 WeakPolarHBondContact CB-NE2 3.38Å; H655-R673 WeakPolarHBondContact O-CB 3.3Å; H655-R673 WeakPolarHBondContact O-CG 3.41Å; H655-R673 PolarHBondContact O-N 2.95Å
656	Y	98.6	Very high	96	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.1	-174.5	-67	-95.8	0	0	0	113.5	I607 Q611 P612 I615 L653 A671 H672 R673	I607-Y656 HydrophobicContact CG2-CE2 4Å; Q611-Y656 VanDerWaalsContact CA-OH 3.27Å; Q611-Y656 WeakPolarHBondContact CA-OH 3.48Å; P612-Y656 WeakPolarHBondContact O-CE1 3.48Å; P612-Y656 PolarHBondContact O-OH 3.31Å; I615-Y656 HydrophobicContact CD1-CD1 3.59Å; I615-Y656 HydrophobicContact CD1-CE1 3.73Å; I615-Y656 HydrophobicContact CD1-CG 4.16Å; I615-Y656 HydrophobicContact CG1-CD1 4.46Å; I615-Y656 HydrophobicContact CG1-CE1 4.28Å; L653-Y656 HydrophobicContact CB-CD2 3.91Å; L653-Y656 HydrophobicContact CB-CG 4.21Å; L653-Y656 HydrophobicContact CD1-CD2 4.49Å; L653-Y656 HydrophobicContact CD1-CG 4.47Å; L653-Y656 HydrophobicContact CD2-CD2 4.46Å; L653-Y656 PolarHBondContact O-N 2.84Å; Y656-A671 WeakPolarHBondContact CA-O 3.39Å; Y656-H672 HydrophobicContact CD1-CB 4.2Å; Y656-H672 HydrophobicContact CE1-CB 3.85Å; Y656-H672 AromaticContact CE2-CD2 3.9Å; Y656-H672 AromaticContact CZ-CD2 3.71Å; Y656-R673 VanDerWaalsContact N-NH1 3.13Å; Y656-R673 PolarHBondContact O-NH1 3.49Å; Y656-R673 PolarHBondContact O-NH2 3.29Å
657	Q	98.3	Very high	96	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150	171.9	-176.9	172.6	52	0	0	110.1	A659 I670 A671 W681	Q657-A659 PolarHBondContact O-N 2.93Å; Q657-I670 VanDerWaalsContact C-CG2 3.47Å; Q657-I670 WeakPolarHBondContact O-CG2 3.42Å; Q657-A671 PolarHBondContact N-O 3.49Å; Q657-A671 PolarHBondContact O-N 3.31Å; Q657-W681 HydrophobicContact CB-CH2 4Å; Q657-W681 HydrophobicContact CB-CZ2 3.81Å; Q657-W681 HydrophobicContact CG-CZ2 4.05Å
658	I	98.6	Very high	96.1	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.7	172.1	-44.7	176.2	0	0	0	108.9	V646 Q647 A650 L668 F721	V646-I658 HydrophobicContact CG1-CD1 3.86Å; V646-I658 HydrophobicContact CG1-CG1 3.94Å; Q647-I658 HydrophobicContact CB-CD1 4.48Å; A650-I658 HydrophobicContact CB-CG1 4Å; I658-L668 HydrophobicContact CG2-CD2 4.07Å; I658-F721 HydrophobicContact CB-CD1 4Å; I658-F721 HydrophobicContact CB-CG 4.31Å; I658-F721 HydrophobicContact CD1-CD1 4.15Å; I658-F721 HydrophobicContact CD1-CE1 3.81Å; I658-F721 HydrophobicContact CD1-CZ 4.17Å; I658-F721 HydrophobicContact CG2-CB 3.72Å; I658-F721 HydrophobicContact CG2-CD1 3.79Å; I658-F721 HydrophobicContact CG2-CD2 4.1Å; I658-F721 HydrophobicContact CG2-CE1 4.43Å; I658-F721 HydrophobicContact CG2-CG 3.59Å
659	A	98.4	Very high	96.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-46	-179.7	0	0	0	0	0	112.1	Q657 L669 A671 W681 T683 L720 F721	Q657-A659 PolarHBondContact O-N 2.93Å; A659-L669 HydrophobicContact CB-CD2 4.36Å; A659-L669 PolarHBondContact N-O 2.93Å; A659-A671 HydrophobicContact CB-CB 3.83Å; A659-W681 HydrophobicContact CB-CD2 3.71Å; A659-W681 HydrophobicContact CB-CE3 4.06Å; A659-W681 HydrophobicContact CB-CG 4.1Å; A659-W681 HydrophobicContact CB-CH2 4.23Å; A659-W681 HydrophobicContact CB-CZ2 3.89Å; A659-W681 HydrophobicContact CB-CZ3 4.32Å; A659-T683 HydrophobicContact CB-CG2 3.81Å; A659-L720 WeakPolarHBondContact O-CA 3.23Å; A659-F721 PolarHBondContact O-N 3.47Å
660	C	98.6	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.4	-174.2	-57.8	0	0	0	0	111.8	F414 L669 A719	F414-C660 HydrophobicContact CD1-CB 3.47Å; F414-C660 VanDerWaalsContact CD1-CB 3.47Å; F414-C660 HydrophobicContact CE1-CB 3.66Å; F414-C660 HydrophobicContact CG-CB 4.38Å; C660-L669 HydrophobicContact CB-CB 3.85Å; C660-L669 HydrophobicContact CB-CD2 4.1Å; C660-L669 PolarHBondContact N-O 3.09Å; C660-L669 PolarHBondContact O-N 2.91Å; C660-A719 VanDerWaalsContact CA-O 3.26Å; C660-A719 WeakPolarHBondContact CA-O 3.34Å; C660-A719 WeakPolarHBondContact CB-O 3.1Å; C660-A719 PolarHBondContact SG-O 3.07Å
661	E	97.8	Very high	96.4	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.7	163.7	69.1	-163.3	132.7	0	0	110	T413 H639 C667 L668 F721 G722 G727	T413-E661 WeakPolarHBondContact CG2-O 3.42Å; H639-E661 IonicContact NE2-OE2 3.76Å; E661-C667 CarbonylContact C-O 3.6Å; E661-L668 HydrophobicContact CB-CD2 4.08Å; E661-L668 HydrophobicContact CB-CG 3.9Å; E661-F721 HydrophobicContact CB-CD2 4.1Å; E661-F721 HydrophobicContact CG-CD2 4.26Å; E661-F721 WeakPolarHBondContact OE1-CA 3.33Å; E661-G722 PolarHBondContact OE1-N 3.15Å; E661-G727 VanDerWaalsContact O-CA 3.24Å; E661-G727 WeakPolarHBondContact O-CA 3.46Å
662	H	96.4	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	93.1	162.9	-178.3	-137.6	0	0	0	109.2	W398 Y410 T413 F414 H664 S665 N666 C667 Q726 G727	W398-H662 AromaticContact CH2-CE1 4Å; Y410-H662 VanDerWaalsContact CA-ND1 3.25Å; Y410-H662 WeakPolarHBondContact CA-ND1 3.47Å; Y410-H662 WeakPolarHBondContact CB-ND1 3.46Å; Y410-H662 PolarHBondContact N-ND1 3.21Å; T413-H662 HydrophobicContact CG2-CB 4.43Å; F414-H662 HydrophobicContact CE1-CB 4.27Å; H662-H664 VanDerWaalsContact C-N 3.28Å; H662-H664 PolarHBondContact O-N 2.86Å; H662-S665 PolarHBondContact CE1-OG 3.33Å; H662-S665 PolarHBondContact ND1-OG 3.07Å; H662-S665 PolarHBondContact O-N 3.09Å; H662-N666 PolarHBondContact O-N 3.49Å; H662-C667 PolarHBondContact N-O 3.18Å; H662-C667 PolarHBondContact O-N 2.85Å; H662-Q726 WeakPolarHBondContact CA-O 3.36Å; H662-G727 PolarHBondContact CD2-O 3.3Å
663	E	93.3	Very high	96.5	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.252	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-49.7	-46.1	-174.4	176.6	-166.6	-124.2	0	0	112.4	S665 N666 Q726 R734	E663-S665 PolarHBondContact O-N 2.84Å; E663-S665 VanDerWaalsContact O-N 3.16Å; E663-N666 WeakPolarHBondContact O-CA 3.33Å; E663-N666 PolarHBondContact O-N 3.06Å; E663-Q726 HydrophobicContact CB-CB 4.01Å; E663-Q726 VanDerWaalsContact CD-NE2 3.27Å; E663-Q726 PolarHBondContact N-O 3.26Å; E663-Q726 PolarHBondContact OE1-NE2 3.14Å; E663-Q726 PolarHBondContact OE2-OE1 3.34Å; E663-R734 IonicContact OE2-CZ 3.64Å; E663-R734 VanDerWaalsContact OE2-CZ 3.29Å; E663-R734 IonicContact OE2-NH1 3.56Å; E663-R734 PolarHBondContact OE2-NH1 3.14Å; E663-R734 IonicContact OE2-NH2 3.57Å; E663-R734 PolarHBondContact OE2-NH2 3.41Å
664	H	88.1	Confident	96.6	Very high	80 Å²	80	33.6 Å²	33.6	37%	0.37	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-64.2	-24.2	-175.1	-159	115.3	0	0	0	113.3	W398 H662	W398-H664 AromaticContact CH2-CD2 3.52Å; H662-H664 VanDerWaalsContact C-N 3.28Å; H662-H664 PolarHBondContact O-N 2.86Å
665	S	89.4	Confident	96.7	Very high	13 Å²	13	29 Å²	29	9%	0.091	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-96.5	1	173.5	-64.5	0	0	0	0	113.7	W398 K618 H662 E663	W398-S665 WeakPolarHBondContact CZ2-OG 3.46Å; K618-S665 WeakPolarHBondContact CE-O 3.34Å; H662-S665 PolarHBondContact CE1-OG 3.33Å; H662-S665 PolarHBondContact ND1-OG 3.07Å; H662-S665 PolarHBondContact O-N 3.09Å; E663-S665 PolarHBondContact O-N 2.84Å; E663-S665 VanDerWaalsContact O-N 3.16Å
666	N	93.6	Very high	96.8	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.123	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.8	62.9	-164.8	-167.1	6	0	0	0	112.7	K618 G619 P637 H639 V642 H662 E663	K618-N666 WeakPolarHBondContact CA-O 3.26Å; G619-N666 PolarHBondContact N-O 2.79Å; P637-N666 PolarHBondContact O-ND2 3.33Å; H639-N666 WeakPolarHBondContact CA-OD1 3.28Å; H639-N666 PolarHBondContact ND1-OD1 2.88Å; V642-N666 WeakPolarHBondContact CB-OD1 3.3Å; V642-N666 VanDerWaalsContact CG2-ND2 3.34Å; V642-N666 WeakPolarHBondContact CG2-ND2 3.41Å; V642-N666 WeakPolarHBondContact CG2-OD1 3.39Å; H662-N666 PolarHBondContact O-N 3.49Å; E663-N666 WeakPolarHBondContact O-CA 3.33Å; E663-N666 PolarHBondContact O-N 3.06Å
667	C	96.6	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.9	-176	-166.3	0	0	0	0	111.3	Y410 F414 V617 K618 E661 H662	Y410-C667 HydrophobicContact CD2-CB 4.4Å; Y410-C667 HydrophobicContact CG-CB 4.31Å; F414-C667 HydrophobicContact CZ-CB 4.19Å; V617-C667 CarbonylContact O-C 3.51Å; V617-C667 VanDerWaalsContact O-CA 3.31Å; V617-C667 WeakPolarHBondContact O-CA 3.34Å; V617-C667 PolarHBondContact O-SG 3.03Å; K618-C667 HydrophobicContact CB-CB 4.24Å; K618-C667 HydrophobicContact CG-CB 4Å; E661-C667 CarbonylContact C-O 3.6Å; H662-C667 PolarHBondContact N-O 3.18Å; H662-C667 PolarHBondContact O-N 2.85Å
668	L	98.5	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.2	169.3	-69.2	96.2	0	0	0	111	V617 V642 V643 V646 I658 E661 F721	V617-L668 PolarHBondContact N-O 3.38Å; V617-L668 PolarHBondContact O-N 2.97Å; V642-L668 HydrophobicContact CB-CD1 4.24Å; V642-L668 HydrophobicContact CG1-CD1 3.77Å; V643-L668 HydrophobicContact CG2-CD1 3.98Å; V643-L668 HydrophobicContact CG2-CD2 4.14Å; V646-L668 HydrophobicContact CB-CB 4.48Å; V646-L668 HydrophobicContact CB-CD2 4.46Å; V646-L668 HydrophobicContact CG1-CB 3.97Å; V646-L668 HydrophobicContact CG1-CD2 4.07Å; V646-L668 HydrophobicContact CG2-CB 4.17Å; V646-L668 HydrophobicContact CG2-CD1 4.31Å; I658-L668 HydrophobicContact CG2-CD2 4.07Å; E661-L668 HydrophobicContact CB-CD2 4.08Å; E661-L668 HydrophobicContact CB-CG 3.9Å; L668-F721 HydrophobicContact CD2-CD2 3.81Å; L668-F721 HydrophobicContact CD2-CE2 3.77Å
669	L	98.8	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.2	176.4	-174.7	69.1	0	0	0	109.5	F414 Y415 F614 E616 A659 C660 T683	F414-L669 HydrophobicContact CB-CD2 4Å; F414-L669 HydrophobicContact CD1-CB 4.12Å; F414-L669 HydrophobicContact CD1-CD2 4.49Å; F414-L669 HydrophobicContact CD2-CB 3.79Å; F414-L669 HydrophobicContact CD2-CD1 3.85Å; F414-L669 HydrophobicContact CD2-CD2 4.28Å; F414-L669 HydrophobicContact CD2-CG 4.19Å; F414-L669 HydrophobicContact CE1-CB 4.06Å; F414-L669 HydrophobicContact CE2-CB 3.7Å; F414-L669 HydrophobicContact CE2-CD1 4.28Å; F414-L669 HydrophobicContact CG-CB 4.01Å; F414-L669 HydrophobicContact CG-CD1 4.41Å; F414-L669 HydrophobicContact CG-CD2 4.02Å; F414-L669 HydrophobicContact CG-CG 4.39Å; F414-L669 HydrophobicContact CZ-CB 3.86Å; Y415-L669 HydrophobicContact CE1-CD1 4.18Å; Y415-L669 HydrophobicContact CE1-CD2 4.31Å; Y415-L669 VanDerWaalsContact OH-CD1 3.29Å; Y415-L669 WeakPolarHBondContact OH-CD1 3.39Å; F614-L669 HydrophobicContact CB-CD1 3.86Å; F614-L669 HydrophobicContact CD1-CD1 4.04Å; F614-L669 HydrophobicContact CD1-CD2 4.27Å; F614-L669 HydrophobicContact CD1-CG 4.36Å; F614-L669 HydrophobicContact CG-CD1 4.27Å; E616-L669 HydrophobicContact CG-CD1 4.32Å; A659-L669 HydrophobicContact CB-CD2 4.36Å; A659-L669 PolarHBondContact N-O 2.93Å; C660-L669 HydrophobicContact CB-CB 3.85Å; C660-L669 HydrophobicContact CB-CD2 4.1Å; C660-L669 PolarHBondContact N-O 3.09Å; C660-L669 PolarHBondContact O-N 2.91Å; L669-T683 HydrophobicContact CD2-CG2 3.85Å
670	I	98.8	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.1	159.8	-32.7	178.2	0	0	0	107.3	F614 I615 V646 L649 A650 Q657	F614-I670 WeakPolarHBondContact CA-O 3.42Å; I615-I670 HydrophobicContact CB-CB 4.1Å; I615-I670 HydrophobicContact CB-CD1 4.46Å; I615-I670 HydrophobicContact CB-CG1 4.35Å; I615-I670 HydrophobicContact CD1-CB 4.17Å; I615-I670 HydrophobicContact CD1-CD1 4.39Å; I615-I670 HydrophobicContact CG2-CD1 4.42Å; I615-I670 PolarHBondContact N-O 3.25Å; I615-I670 PolarHBondContact O-N 3Å; V646-I670 HydrophobicContact CG1-CD1 4.08Å; V646-I670 HydrophobicContact CG1-CG1 3.86Å; L649-I670 HydrophobicContact CD2-CD1 4.14Å; L649-I670 HydrophobicContact CG-CD1 4.25Å; A650-I670 HydrophobicContact CB-CD1 4.37Å; A650-I670 HydrophobicContact CB-CG2 4.16Å; Q657-I670 VanDerWaalsContact C-CG2 3.47Å; Q657-I670 WeakPolarHBondContact O-CG2 3.42Å
671	A	98.7	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.8	179.2	0	0	0	0	0	111	F614 Y656 Q657 A659 W681 T683	F614-A671 HydrophobicContact CD1-CB 3.73Å; F614-A671 HydrophobicContact CE1-CB 3.85Å; Y656-A671 WeakPolarHBondContact CA-O 3.39Å; Q657-A671 PolarHBondContact N-O 3.49Å; Q657-A671 PolarHBondContact O-N 3.31Å; A659-A671 HydrophobicContact CB-CB 3.83Å; A671-W681 HydrophobicContact CB-CE3 4.27Å; A671-W681 HydrophobicContact CB-CH2 3.97Å; A671-W681 HydrophobicContact CB-CZ3 3.63Å; A671-T683 HydrophobicContact CB-CG2 4.3Å
672	H	98.5	Very high	96.3	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.144	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	136.5	172.6	-169.9	-87	0	0	0	110	D613 H655 Y656 K674 F675	D613-H672 PolarHBondContact O-N 2.92Å; H655-H672 WeakPolarHBondContact CB-NE2 3.38Å; Y656-H672 HydrophobicContact CD1-CB 4.2Å; Y656-H672 HydrophobicContact CE1-CB 3.85Å; Y656-H672 AromaticContact CE2-CD2 3.9Å; Y656-H672 AromaticContact CZ-CD2 3.71Å; H672-K674 HydrophobicContact CB-CG 4.29Å; H672-K674 WeakPolarHBondContact ND1-CB 3.36Å; H672-K674 WeakPolarHBondContact ND1-CD 3.39Å; H672-K674 WeakPolarHBondContact ND1-CG 3.29Å; H672-K674 PolarHBondContact ND1-N 2.95Å; H672-K674 PolarHBondContact O-N 3.47Å; H672-F675 HydrophobicContact CB-CD2 4.36Å; H672-F675 WeakPolarHBondContact O-CD2 3.3Å; H672-F675 PolarHBondContact O-N 3.1Å
673	R	97.9	Very high	96.4	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.8	-19.9	-174.4	-77.6	178.3	170.4	87.3	20.8	114	L653 P654 H655 Y656 F675 K676	L653-R673 PolarHBondContact O-NH1 3.28Å; P654-R673 PolarHBondContact O-NH1 3.26Å; H655-R673 WeakPolarHBondContact O-CB 3.3Å; H655-R673 WeakPolarHBondContact O-CG 3.41Å; H655-R673 PolarHBondContact O-N 2.95Å; Y656-R673 VanDerWaalsContact N-NH1 3.13Å; Y656-R673 PolarHBondContact O-NH1 3.49Å; Y656-R673 PolarHBondContact O-NH2 3.29Å; R673-F675 PolarHBondContact O-N 3.35Å; R673-K676 WeakPolarHBondContact O-CB 3.12Å; R673-K676 PolarHBondContact O-N 3.24Å
674	K	97.4	Very high	96.6	Very high	88 Å²	88	45.1 Å²	45.1	38%	0.383	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-60	-21.8	172.6	76.2	-168.7	173.7	-174.9	0	114.4	D613 H672 K676 L709	D613-K674 WeakPolarHBondContact OD1-CE 3.39Å; D613-K674 IonicContact OD1-NZ 2.66Å; D613-K674 PolarHBondContact OD1-NZ 3.06Å; H672-K674 HydrophobicContact CB-CG 4.29Å; H672-K674 WeakPolarHBondContact ND1-CB 3.36Å; H672-K674 WeakPolarHBondContact ND1-CD 3.39Å; H672-K674 WeakPolarHBondContact ND1-CG 3.29Å; H672-K674 PolarHBondContact ND1-N 2.95Å; H672-K674 PolarHBondContact O-N 3.47Å; K674-K676 VanDerWaalsContact C-N 3.31Å; K674-L709 HydrophobicContact CG-CD2 4.26Å
675	F	98.3	Very high	97.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-86.6	4.9	172.7	-64.1	-83.5	0	0	0	113.6	D613 F614 H672 R673 W681 R682 A708 L709 T712	D613-F675 HydrophobicContact CB-CE2 3.5Å; D613-F675 HydrophobicContact CB-CZ 3.77Å; D613-F675 VanDerWaalsContact OD1-CE2 3.32Å; D613-F675 WeakPolarHBondContact OD1-CE2 3.49Å; D613-F675 WeakPolarHBondContact OD1-CZ 3.3Å; F614-F675 HydrophobicContact CE1-CD1 4.47Å; F614-F675 HydrophobicContact CE1-CD2 4.02Å; F614-F675 HydrophobicContact CE1-CE2 4.35Å; F614-F675 HydrophobicContact CE1-CG 4.1Å; F614-F675 HydrophobicContact CE2-CE1 4.27Å; F614-F675 HydrophobicContact CE2-CE2 4.14Å; F614-F675 AromaticContact CE2-CZ 3.97Å; F614-F675 HydrophobicContact CE2-CZ 3.97Å; F614-F675 AromaticContact CZ-CD1 3.81Å; F614-F675 HydrophobicContact CZ-CD1 3.81Å; F614-F675 AromaticContact CZ-CD2 3.81Å; F614-F675 HydrophobicContact CZ-CD2 3.81Å; F614-F675 AromaticContact CZ-CE1 3.76Å; F614-F675 HydrophobicContact CZ-CE1 3.76Å; F614-F675 AromaticContact CZ-CE2 3.78Å; F614-F675 HydrophobicContact CZ-CE2 3.78Å; F614-F675 AromaticContact CZ-CG 3.84Å; F614-F675 HydrophobicContact CZ-CG 3.84Å; F614-F675 AromaticContact CZ-CZ 3.76Å; F614-F675 HydrophobicContact CZ-CZ 3.76Å; H672-F675 HydrophobicContact CB-CD2 4.36Å; H672-F675 WeakPolarHBondContact O-CD2 3.3Å; H672-F675 PolarHBondContact O-N 3.1Å; R673-F675 PolarHBondContact O-N 3.35Å; F675-W681 HydrophobicContact CB-CE3 4.3Å; F675-W681 HydrophobicContact CB-CZ3 4.32Å; F675-R682 PolarHBondContact O-N 2.83Å; F675-A708 HydrophobicContact CE1-CB 4.48Å; F675-A708 HydrophobicContact CZ-CB 4.01Å; F675-L709 HydrophobicContact CD1-CD2 3.95Å; F675-L709 HydrophobicContact CE1-CD2 3.81Å; F675-L709 HydrophobicContact CZ-CD2 4.26Å; F675-T712 HydrophobicContact CD1-CG2 3.74Å; F675-T712 HydrophobicContact CE1-CG2 3.71Å
676	K	97.6	Very high	97.5	Very high	74 Å²	74	44.2 Å²	44.2	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	75.7	178.5	-156.1	177.4	-166.9	-179.6	0	111.1	R673 K674 G679 E680 W681	R673-K676 WeakPolarHBondContact O-CB 3.12Å; R673-K676 PolarHBondContact O-N 3.24Å; K674-K676 VanDerWaalsContact C-N 3.31Å; K676-G679 WeakPolarHBondContact CE-O 3.42Å; K676-E680 CarbonylContact C-O 3.49Å; K676-E680 VanDerWaalsContact CA-O 3.3Å; K676-E680 WeakPolarHBondContact CA-O 3.47Å; K676-W681 HydrophobicContact CB-CD2 4.15Å; K676-W681 HydrophobicContact CB-CE3 3.72Å; K676-W681 HydrophobicContact CB-CH2 4.2Å; K676-W681 HydrophobicContact CB-CZ3 3.74Å; K676-W681 HydrophobicContact CD-CD2 4.18Å; K676-W681 HydrophobicContact CD-CE3 4.5Å; K676-W681 HydrophobicContact CD-CH2 4.26Å; K676-W681 HydrophobicContact CD-CZ2 3.9Å; K676-W681 HydrophobicContact CG-CD2 3.92Å; K676-W681 HydrophobicContact CG-CE3 4.03Å; K676-W681 HydrophobicContact CG-CG 4.42Å; K676-W681 HydrophobicContact CG-CZ2 4.45Å; K676-W681 HydrophobicContact CG-CZ3 4.34Å
677	V	95.8	Very high	97.8	Very high	68 Å²	68	45.1 Å²	45.1	41%	0.412	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126	-174.8	-177.2	0	0	0	0	109.7	G679 E680 R682	V677-G679 PolarHBondContact O-N 2.97Å; V677-G679 VanDerWaalsContact O-N 3.15Å; V677-E680 PolarHBondContact N-O 3.16Å; V677-E680 PolarHBondContact O-N 3.36Å; V677-R682 HydrophobicContact CB-CG 4.5Å; V677-R682 HydrophobicContact CG2-CG 4.46Å
678	N	94.9	Very high	97.8	Very high	164 Å²	164	49.1 Å²	49.1	88%	0.877	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.9	-177.6	-57.2	-16.1	0	0	0	113.8	E680	N678-E680 VanDerWaalsContact C-N 3.27Å; N678-E680 PolarHBondContact O-N 3.47Å
679	G	94.9	Very high	97.8	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-13.9	-175.6	0	0	0	0	0	114.8	K676 V677	K676-G679 WeakPolarHBondContact CE-O 3.42Å; V677-G679 PolarHBondContact O-N 2.97Å; V677-G679 VanDerWaalsContact O-N 3.15Å
680	E	97.4	Very high	97.8	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.5	179.5	-53.5	-158	129.8	0	0	112	K676 V677 N678 K714	K676-E680 CarbonylContact C-O 3.49Å; K676-E680 VanDerWaalsContact CA-O 3.3Å; K676-E680 WeakPolarHBondContact CA-O 3.47Å; V677-E680 PolarHBondContact N-O 3.16Å; V677-E680 PolarHBondContact O-N 3.36Å; N678-E680 VanDerWaalsContact C-N 3.27Å; N678-E680 PolarHBondContact O-N 3.47Å; E680-K714 WeakPolarHBondContact OE1-CE 3.26Å; E680-K714 IonicContact OE1-NZ 3.8Å; E680-K714 PolarHBondContact OE1-NZ 3.28Å; E680-K714 WeakPolarHBondContact OE2-CE 3.38Å; E680-K714 IonicContact OE2-NZ 3.93Å; E680-K714 PolarHBondContact OE2-NZ 2.93Å
681	W	98.4	Very high	97.8	Very high	20 Å²	20	54.9 Å²	54.9	8%	0.076	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.9	174.7	-75.3	119.4	0	0	0	112	Q657 A659 A671 F675 K676 T683 T715 L720	Q657-W681 HydrophobicContact CB-CH2 4Å; Q657-W681 HydrophobicContact CB-CZ2 3.81Å; Q657-W681 HydrophobicContact CG-CZ2 4.05Å; A659-W681 HydrophobicContact CB-CD2 3.71Å; A659-W681 HydrophobicContact CB-CE3 4.06Å; A659-W681 HydrophobicContact CB-CG 4.1Å; A659-W681 HydrophobicContact CB-CH2 4.23Å; A659-W681 HydrophobicContact CB-CZ2 3.89Å; A659-W681 HydrophobicContact CB-CZ3 4.32Å; A671-W681 HydrophobicContact CB-CE3 4.27Å; A671-W681 HydrophobicContact CB-CH2 3.97Å; A671-W681 HydrophobicContact CB-CZ3 3.63Å; F675-W681 HydrophobicContact CB-CE3 4.3Å; F675-W681 HydrophobicContact CB-CZ3 4.32Å; K676-W681 HydrophobicContact CB-CD2 4.15Å; K676-W681 HydrophobicContact CB-CE3 3.72Å; K676-W681 HydrophobicContact CB-CH2 4.2Å; K676-W681 HydrophobicContact CB-CZ3 3.74Å; K676-W681 HydrophobicContact CD-CD2 4.18Å; K676-W681 HydrophobicContact CD-CE3 4.5Å; K676-W681 HydrophobicContact CD-CH2 4.26Å; K676-W681 HydrophobicContact CD-CZ2 3.9Å; K676-W681 HydrophobicContact CG-CD2 3.92Å; K676-W681 HydrophobicContact CG-CE3 4.03Å; K676-W681 HydrophobicContact CG-CG 4.42Å; K676-W681 HydrophobicContact CG-CZ2 4.45Å; K676-W681 HydrophobicContact CG-CZ3 4.34Å; W681-T683 HydrophobicContact CB-CG2 4.42Å; W681-T683 HydrophobicContact CE3-CG2 4.41Å; W681-T715 PolarHBondContact O-N 3.5Å; W681-T715 PolarHBondContact O-OG1 2.97Å; W681-L720 HydrophobicContact CB-CD2 4.14Å; W681-L720 HydrophobicContact CG-CD2 4.39Å
682	R	98.4	Very high	97.8	Very high	81 Å²	81	58.8 Å²	58.8	31%	0.306	29%	0.286	S	S	.	.			trans	-124.4	51.6	175.6	-55.4	-173.9	69.1	91.3	-1.6	111.5	F675 V677 T712 A713	F675-R682 PolarHBondContact O-N 2.83Å; V677-R682 HydrophobicContact CB-CG 4.5Å; V677-R682 HydrophobicContact CG2-CG 4.46Å; R682-T712 PolarHBondContact NE-OG1 3.39Å; R682-T712 PolarHBondContact NH2-O 3.4Å; R682-A713 CarbonylContact C-O 3.56Å; R682-A713 VanDerWaalsContact C-O 3.28Å; R682-A713 WeakPolarHBondContact CA-O 3.31Å; R682-A713 WeakPolarHBondContact CB-O 3.27Å
683	T	98.4	Very high	97.8	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.			trans	-76.1	-24.4	178.5	69.3	0	0	0	0	112.3	F414 R584 F614 A659 L669 A671 W681 T715	F414-T683 CarbonylContact O-C 3.54Å; F414-T683 WeakPolarHBondContact O-CB 3.37Å; F414-T683 PolarHBondContact O-OG1 3.15Å; R584-T683 PolarHBondContact NH1-O 3Å; R584-T683 PolarHBondContact NH2-O 3.15Å; F614-T683 HydrophobicContact CE1-CG2 4.09Å; A659-T683 HydrophobicContact CB-CG2 3.81Å; L669-T683 HydrophobicContact CD2-CG2 3.85Å; A671-T683 HydrophobicContact CB-CG2 4.3Å; W681-T683 HydrophobicContact CB-CG2 4.42Å; W681-T683 HydrophobicContact CE3-CG2 4.41Å; T683-T715 WeakPolarHBondContact CB-OG1 3.41Å; T683-T715 PolarHBondContact N-OG1 3.1Å; T683-T715 WeakPolarHBondContact OG1-CG2 3.4Å; T683-T715 PolarHBondContact OG1-OG1 2.59Å
684	W	98.6	Very high	97.8	Very high	52 Å²	52	53 Å²	53	20%	0.197	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	157.4	176.7	-85.2	34.5	0	0	0	112.2	H412 T413 R584 A713 P716 W718	H412-W684 VanDerWaalsContact O-CZ2 3.27Å; H412-W684 WeakPolarHBondContact O-CZ2 3.39Å; H412-W684 PolarHBondContact O-NE1 2.85Å; T413-W684 PolarHBondContact O-NE1 3.46Å; R584-W684 PolarHBondContact NH1-O 3.4Å; W684-A713 HydrophobicContact CB-CB 3.86Å; W684-A713 PolarHBondContact N-O 3.47Å; W684-A713 PolarHBondContact O-N 2.9Å; W684-P716 HydrophobicContact CD2-CG 4.08Å; W684-P716 HydrophobicContact CE3-CG 4.26Å; W684-P716 HydrophobicContact CH2-CG 3.77Å; W684-P716 HydrophobicContact CZ2-CG 3.54Å; W684-P716 HydrophobicContact CZ3-CG 4.11Å; W684-W718 HydrophobicContact CH2-CZ2 4.14Å; W684-W718 AromaticContact CZ2-CH2 3.97Å; W684-W718 HydrophobicContact CZ2-CH2 3.97Å; W684-W718 AromaticContact CZ2-CZ2 3.85Å; W684-W718 HydrophobicContact CZ2-CZ2 3.85Å
685	I	98.7	Very high	97.8	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.7	-176.4	-66.3	174.4	0	0	0	108.4	Y415 F524 T542 R584 Y687 Y711	Y415-I685 PolarHBondContact O-N 3.09Å; F524-I685 HydrophobicContact CE1-CD1 3.94Å; F524-I685 HydrophobicContact CZ-CD1 4.22Å; T542-I685 HydrophobicContact CG2-CD1 4.32Å; T542-I685 HydrophobicContact CG2-CG2 3.93Å; R584-I685 VanDerWaalsContact CZ-CG1 3.42Å; I685-Y687 HydrophobicContact CB-CD1 4.4Å; I685-Y687 HydrophobicContact CB-CD2 4.48Å; I685-Y687 HydrophobicContact CB-CE1 3.89Å; I685-Y687 HydrophobicContact CB-CE2 3.97Å; I685-Y687 HydrophobicContact CD1-CE1 4.32Å; I685-Y687 HydrophobicContact CG2-CD1 3.61Å; I685-Y687 HydrophobicContact CG2-CD2 4.32Å; I685-Y687 HydrophobicContact CG2-CE1 3.46Å; I685-Y687 VanDerWaalsContact CG2-CE1 3.46Å; I685-Y687 HydrophobicContact CG2-CE2 4.19Å; I685-Y687 HydrophobicContact CG2-CG 4.03Å; I685-Y687 WeakPolarHBondContact O-CD2 3.1Å; I685-Y687 WeakPolarHBondContact O-CE2 3.31Å; I685-Y687 PolarHBondContact O-N 3.12Å; I685-Y711 HydrophobicContact CG2-CD2 4.04Å; I685-Y711 HydrophobicContact CG2-CE2 4.36Å
686	D	98.6	Very high	97.8	Very high	67 Å²	67	53.9 Å²	53.9	36%	0.358	27%	0.274	S	S	.	.			trans	-81.6	97.7	165.2	-172.1	-28.7	0	0	0	107.8	R689 F690 Y711 A713	D686-R689 HydrophobicContact CB-CB 3.78Å; D686-R689 WeakPolarHBondContact OD1-CB 3.31Å; D686-R689 PolarHBondContact OD1-N 2.78Å; D686-F690 PolarHBondContact O-N 2.83Å; D686-Y711 PolarHBondContact N-O 3.11Å; D686-A713 HydrophobicContact CB-CB 4.33Å
687	Y	98.3	Very high	97.7	Very high	42 Å²	42	51.6 Å²	51.6	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-42.4	-171.7	-71.1	-73.2	0	0	0	112.7	Y415 G416 I417 H494 F524 T542 I685 F690 Q691	Y415-Y687 PolarHBondContact O-OH 2.95Å; G416-Y687 WeakPolarHBondContact O-CE2 2.94Å; I417-Y687 WeakPolarHBondContact CG1-OH 3.42Å; H494-Y687 AromaticContact CE1-CD1 3.95Å; H494-Y687 AromaticContact CE1-CE1 3.66Å; H494-Y687 AromaticContact CE1-CE2 3.82Å; H494-Y687 AromaticContact CE1-CZ 3.61Å; H494-Y687 AromaticContact ND1-CE1 3.7Å; F524-Y687 HydrophobicContact CE2-CE1 4.41Å; F524-Y687 AromaticContact CZ-CE1 3.87Å; F524-Y687 HydrophobicContact CZ-CE1 3.87Å; T542-Y687 HydrophobicContact CG2-CE1 4.41Å; I685-Y687 HydrophobicContact CB-CD1 4.4Å; I685-Y687 HydrophobicContact CB-CD2 4.48Å; I685-Y687 HydrophobicContact CB-CE1 3.89Å; I685-Y687 HydrophobicContact CB-CE2 3.97Å; I685-Y687 HydrophobicContact CD1-CE1 4.32Å; I685-Y687 HydrophobicContact CG2-CD1 3.61Å; I685-Y687 HydrophobicContact CG2-CD2 4.32Å; I685-Y687 HydrophobicContact CG2-CE1 3.46Å; I685-Y687 VanDerWaalsContact CG2-CE1 3.46Å; I685-Y687 HydrophobicContact CG2-CE2 4.19Å; I685-Y687 HydrophobicContact CG2-CG 4.03Å; I685-Y687 WeakPolarHBondContact O-CD2 3.1Å; I685-Y687 WeakPolarHBondContact O-CE2 3.31Å; I685-Y687 PolarHBondContact O-N 3.12Å; Y687-F690 WeakPolarHBondContact O-CB 3.44Å; Y687-F690 PolarHBondContact O-N 2.95Å; Y687-Q691 WeakPolarHBondContact O-CG 3.43Å; Y687-Q691 PolarHBondContact O-N 3.31Å
688	D	98.1	Very high	97.7	Very high	85 Å²	85	51.2 Å²	51.2	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-39.1	179.2	-77.3	-61.5	0	0	0	110.9	R520 F690 Q691 D692	R520-D688 IonicContact CZ-OD1 3.24Å; R520-D688 IonicContact NE-OD1 3.29Å; R520-D688 PolarHBondContact NH2-O 3.09Å; R520-D688 IonicContact NH2-OD1 3.63Å; R520-D688 PolarHBondContact NH2-OD1 3.45Å; D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.1Å; D688-Q691 PolarHBondContact O-N 2.85Å; D688-Q691 VanDerWaalsContact O-N 3.12Å; D688-D692 PolarHBondContact O-N 3.19Å
689	R	98.4	Very high	97.8	Very high	114 Å²	114	49.2 Å²	49.2	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-38.2	170.8	-177.5	56.6	176.4	174.4	0.4	112.7	D686 L693 D710	D686-R689 HydrophobicContact CB-CB 3.78Å; D686-R689 WeakPolarHBondContact OD1-CB 3.31Å; D686-R689 PolarHBondContact OD1-N 2.78Å; R689-L693 HydrophobicContact CG-CD1 4.04Å; R689-L693 WeakPolarHBondContact O-CB 3.46Å; R689-L693 WeakPolarHBondContact O-CD1 3.31Å; R689-L693 WeakPolarHBondContact O-CG 3.46Å; R689-L693 PolarHBondContact O-N 3.49Å; R689-L693 VanDerWaalsContact O-N 3.08Å; R689-D710 WeakPolarHBondContact CG-O 3.31Å; R689-D710 PolarHBondContact NE-O 2.86Å
690	F	98.5	Very high	97.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-47.4	172.6	171	-91.9	0	0	0	111.9	H517 T542 D686 Y687 D688 D692 L693 V694 F706 Y711	H517-F690 AromaticContact CD2-CE1 3.66Å; H517-F690 AromaticContact NE2-CE1 3.64Å; H517-F690 AromaticContact NE2-CZ 3.71Å; T542-F690 VanDerWaalsContact CA-CE2 3.5Å; T542-F690 HydrophobicContact CG2-CB 4.45Å; T542-F690 HydrophobicContact CG2-CD1 3.98Å; T542-F690 HydrophobicContact CG2-CD2 4.01Å; T542-F690 HydrophobicContact CG2-CE1 4.34Å; T542-F690 HydrophobicContact CG2-CE2 4.34Å; T542-F690 HydrophobicContact CG2-CG 3.84Å; T542-F690 WeakPolarHBondContact OG1-CD1 3.38Å; T542-F690 WeakPolarHBondContact OG1-CE1 3.42Å; T542-F690 VanDerWaalsContact OG1-CZ 3.27Å; T542-F690 WeakPolarHBondContact OG1-CZ 3.48Å; D686-F690 PolarHBondContact O-N 2.83Å; Y687-F690 WeakPolarHBondContact O-CB 3.44Å; Y687-F690 PolarHBondContact O-N 2.95Å; D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.1Å; F690-D692 VanDerWaalsContact C-N 3.3Å; F690-D692 PolarHBondContact O-N 3.39Å; F690-L693 PolarHBondContact O-N 3.4Å; F690-V694 HydrophobicContact CD1-CG1 4.4Å; F690-V694 HydrophobicContact CE1-CB 4.27Å; F690-V694 HydrophobicContact CE1-CG1 3.81Å; F690-V694 HydrophobicContact CE2-CB 4.46Å; F690-V694 HydrophobicContact CZ-CB 4.01Å; F690-V694 HydrophobicContact CZ-CG1 4.05Å; F690-V694 HydrophobicContact CZ-CG2 4.33Å; F690-V694 PolarHBondContact O-N 3.19Å; F690-F706 HydrophobicContact CD2-CE2 4.02Å; F690-F706 HydrophobicContact CD2-CZ 4.32Å; F690-F706 AromaticContact CE2-CE2 3.89Å; F690-F706 HydrophobicContact CE2-CE2 3.89Å; F690-F706 AromaticContact CE2-CZ 3.84Å; F690-F706 HydrophobicContact CE2-CZ 3.84Å; F690-Y711 HydrophobicContact CB-CD2 3.69Å; F690-Y711 HydrophobicContact CB-CE2 4.24Å; F690-Y711 HydrophobicContact CB-CG 4.05Å; F690-Y711 HydrophobicContact CD2-CD1 4.4Å; F690-Y711 AromaticContact CD2-CD2 3.84Å; F690-Y711 HydrophobicContact CD2-CD2 3.84Å; F690-Y711 HydrophobicContact CD2-CE1 4.19Å; F690-Y711 AromaticContact CD2-CE2 3.57Å; F690-Y711 HydrophobicContact CD2-CE2 3.57Å; F690-Y711 HydrophobicContact CD2-CG 4.24Å; F690-Y711 AromaticContact CD2-CZ 3.77Å; F690-Y711 HydrophobicContact CE2-CE2 4.42Å; F690-Y711 HydrophobicContact CG-CD2 4.17Å; F690-Y711 HydrophobicContact CG-CE2 4.22Å
691	Q	98.1	Very high	97.8	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-179.1	-62.9	-57.4	-10.4	0	0	111.5	H517 R520 I521 Y687 D688 L693 V694 Q695	H517-Q691 PolarHBondContact O-OE1 3.41Å; R520-Q691 HydrophobicContact CB-CG 4.02Å; R520-Q691 HydrophobicContact CG-CB 4.23Å; R520-Q691 HydrophobicContact CG-CG 4.12Å; R520-Q691 VanDerWaalsContact CZ-CB 3.46Å; R520-Q691 PolarHBondContact O-NE2 3.45Å; I521-Q691 PolarHBondContact O-NE2 3.38Å; Y687-Q691 WeakPolarHBondContact O-CG 3.43Å; Y687-Q691 PolarHBondContact O-N 3.31Å; D688-Q691 PolarHBondContact O-N 2.85Å; D688-Q691 VanDerWaalsContact O-N 3.12Å; Q691-L693 PolarHBondContact O-N 2.82Å; Q691-V694 WeakPolarHBondContact O-CG1 3.13Å; Q691-V694 PolarHBondContact O-N 2.97Å; Q691-Q695 WeakPolarHBondContact O-CB 3.39Å; Q691-Q695 PolarHBondContact O-N 3.34Å
692	D	98.3	Very high	97.5	Very high	81 Å²	81	47.5 Å²	47.5	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-35	179.3	-58.6	-8.5	0	0	0	111.8	R520 D688 F690 A696	R520-D692 IonicContact CZ-OD1 2.72Å; R520-D692 VanDerWaalsContact CZ-OD1 3.29Å; R520-D692 IonicContact NH1-OD1 3.59Å; R520-D692 PolarHBondContact NH1-OD1 3.38Å; R520-D692 IonicContact NH2-OD1 3.29Å; R520-D692 PolarHBondContact NH2-OD1 3.22Å; D688-D692 PolarHBondContact O-N 3.19Å; F690-D692 VanDerWaalsContact C-N 3.3Å; F690-D692 PolarHBondContact O-N 3.39Å; D692-A696 WeakPolarHBondContact O-CB 3.39Å; D692-A696 PolarHBondContact O-N 3.49Å
693	L	98.4	Very high	97.4	Very high	14 Å²	14	52 Å²	52	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-72.8	-38.3	176	-73.6	170.4	0	0	0	113.3	R689 F690 Q691 H697 F706 D710 Y711	R689-L693 HydrophobicContact CG-CD1 4.04Å; R689-L693 WeakPolarHBondContact O-CB 3.46Å; R689-L693 WeakPolarHBondContact O-CD1 3.31Å; R689-L693 WeakPolarHBondContact O-CG 3.46Å; R689-L693 PolarHBondContact O-N 3.49Å; R689-L693 VanDerWaalsContact O-N 3.08Å; F690-L693 PolarHBondContact O-N 3.4Å; Q691-L693 PolarHBondContact O-N 2.82Å; L693-H697 PolarHBondContact O-N 3.21Å; L693-F706 HydrophobicContact CB-CB 4.23Å; L693-F706 HydrophobicContact CB-CD1 3.97Å; L693-F706 HydrophobicContact CB-CD2 4.16Å; L693-F706 HydrophobicContact CB-CE1 4.36Å; L693-F706 HydrophobicContact CB-CG 3.87Å; L693-F706 HydrophobicContact CD1-CB 4.14Å; L693-F706 HydrophobicContact CD1-CD2 4.23Å; L693-F706 HydrophobicContact CD1-CG 4.3Å; L693-F706 HydrophobicContact CD2-CB 4.08Å; L693-F706 HydrophobicContact CG-CB 4.39Å; L693-D710 HydrophobicContact CD1-CB 3.7Å; L693-Y711 HydrophobicContact CD1-CD1 4.43Å
694	V	97.9	Very high	97.3	Very high	3 Å²	3	57 Å²	57	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-75.5	-33.2	177.5	74	0	0	0	0	111.9	H517 P540 F690 Q691 H697 E698 F706	H517-V694 HydrophobicContact CB-CG1 3.87Å; P540-V694 HydrophobicContact CB-CG2 4.17Å; F690-V694 HydrophobicContact CD1-CG1 4.4Å; F690-V694 HydrophobicContact CE1-CB 4.27Å; F690-V694 HydrophobicContact CE1-CG1 3.81Å; F690-V694 HydrophobicContact CE2-CB 4.46Å; F690-V694 HydrophobicContact CZ-CB 4.01Å; F690-V694 HydrophobicContact CZ-CG1 4.05Å; F690-V694 HydrophobicContact CZ-CG2 4.33Å; F690-V694 PolarHBondContact O-N 3.19Å; Q691-V694 WeakPolarHBondContact O-CG1 3.13Å; Q691-V694 PolarHBondContact O-N 2.97Å; V694-H697 WeakPolarHBondContact O-CB 3.48Å; V694-H697 PolarHBondContact O-N 3.06Å; V694-E698 PolarHBondContact O-N 3.43Å; V694-F706 HydrophobicContact CB-CE1 4.21Å; V694-F706 HydrophobicContact CB-CZ 4.15Å; V694-F706 HydrophobicContact CG2-CE1 4.49Å; V694-F706 HydrophobicContact CG2-CZ 4.48Å
695	Q	97.5	Very high	97.2	Very high	84 Å²	84	58 Å²	58	39%	0.393	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-49.8	170.8	-171.4	64.2	58.3	0	0	110.7	Q691 H697 E698 D699	Q691-Q695 WeakPolarHBondContact O-CB 3.39Å; Q691-Q695 PolarHBondContact O-N 3.34Å; Q695-H697 PolarHBondContact O-N 2.76Å; Q695-E698 PolarHBondContact O-N 3.27Å; Q695-D699 PolarHBondContact NE2-OD1 3.13Å; Q695-D699 WeakPolarHBondContact O-CB 3.41Å; Q695-D699 PolarHBondContact O-N 2.88Å
696	A	97.9	Very high	97.1	Very high	23 Å²	23	58.1 Å²	58.1	19%	0.19	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-27.2	176.3	0	0	0	0	0	113.5	D692 S700	D692-A696 WeakPolarHBondContact O-CB 3.39Å; D692-A696 PolarHBondContact O-N 3.49Å; A696-S700 VanDerWaalsContact O-CB 3.29Å; A696-S700 WeakPolarHBondContact O-CB 3.49Å; A696-S700 PolarHBondContact O-N 3.42Å; A696-S700 PolarHBondContact O-OG 3.05Å
697	H	97.4	Very high	97.1	Very high	27 Å²	27	56.8 Å²	56.8	13%	0.125	31%	0.312	C	S	.	.	H	α-helix	trans	-67.7	-49.2	172.4	-175.4	73	0	0	0	111.9	L693 V694 Q695 S700 G701 G702 Q704 F706	L693-H697 PolarHBondContact O-N 3.21Å; V694-H697 WeakPolarHBondContact O-CB 3.48Å; V694-H697 PolarHBondContact O-N 3.06Å; Q695-H697 PolarHBondContact O-N 2.76Å; H697-S700 PolarHBondContact O-OG 3.01Å; H697-S700 VanDerWaalsContact O-OG 3.12Å; H697-G701 PolarHBondContact O-N 2.67Å; H697-G702 VanDerWaalsContact CE1-CA 3.43Å; H697-G702 WeakPolarHBondContact CE1-CA 3.44Å; H697-G702 PolarHBondContact CE1-O 2.83Å; H697-G702 WeakPolarHBondContact O-CA 3.44Å; H697-G702 PolarHBondContact O-N 2.91Å; H697-Q704 PolarHBondContact ND1-O 2.89Å; H697-F706 HydrophobicContact CB-CD1 4.33Å; H697-F706 HydrophobicContact CB-CE1 4.07Å
698	E	95.7	Very high	97.1	Very high	60 Å²	60	55 Å²	55	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-42.6	179.3	-65.4	-66.9	148.3	0	0	111.7	R514 V694 Q695 S700 G701	R514-E698 IonicContact CZ-OE1 3.96Å; R514-E698 IonicContact CZ-OE2 3.43Å; R514-E698 IonicContact NE-OE1 3.46Å; R514-E698 PolarHBondContact NE-OE1 3.17Å; R514-E698 IonicContact NE-OE2 2.71Å; R514-E698 PolarHBondContact NE-OE2 2.63Å; R514-E698 IonicContact NH2-OE1 3.99Å; R514-E698 IonicContact NH2-OE2 3.68Å; R514-E698 PolarHBondContact NH2-OE2 2.88Å; V694-E698 PolarHBondContact O-N 3.43Å; Q695-E698 PolarHBondContact O-N 3.27Å; E698-S700 PolarHBondContact O-N 2.86Å; E698-G701 PolarHBondContact O-N 2.64Å
699	D	96.8	Very high	97	Very high	121 Å²	121	54.4 Å²	54.4	65%	0.647	30%	0.302	S	S	*	.	H	α-helix	trans	-59.6	-32.4	177.5	-69.2	-14	0	0	0	112.7	Q695 G701	Q695-D699 PolarHBondContact NE2-OD1 3.13Å; Q695-D699 WeakPolarHBondContact O-CB 3.41Å; Q695-D699 PolarHBondContact O-N 2.88Å; D699-G701 VanDerWaalsContact C-N 3.33Å
700	S	96.9	Very high	97	Very high	33 Å²	33	52.6 Å²	52.6	23%	0.231	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.1	177	65.4	0	0	0	0	113.9	A696 H697 E698 G702 Q703 Q704	A696-S700 VanDerWaalsContact O-CB 3.29Å; A696-S700 WeakPolarHBondContact O-CB 3.49Å; A696-S700 PolarHBondContact O-N 3.42Å; A696-S700 PolarHBondContact O-OG 3.05Å; H697-S700 PolarHBondContact O-OG 3.01Å; H697-S700 VanDerWaalsContact O-OG 3.12Å; E698-S700 PolarHBondContact O-N 2.86Å; S700-G702 PolarHBondContact O-N 3.21Å; S700-Q703 WeakPolarHBondContact O-CB 3.32Å; S700-Q703 VanDerWaalsContact O-CG 3.28Å; S700-Q703 WeakPolarHBondContact O-CG 3.41Å; S700-Q703 PolarHBondContact O-N 3.35Å; S700-Q704 VanDerWaalsContact OG-CB 3.3Å; S700-Q704 WeakPolarHBondContact OG-CB 3.23Å; S700-Q704 PolarHBondContact OG-N 3.27Å
701	G	94.4	Very high	97	Very high	71 Å²	71	52.6 Å²	52.6	73%	0.732	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	29.2	-177.4	0	0	0	0	0	113.3	H697 E698 D699	H697-G701 PolarHBondContact O-N 2.67Å; E698-G701 PolarHBondContact O-N 2.64Å; D699-G701 VanDerWaalsContact C-N 3.33Å
702	G	93.4	Very high	97	Very high	27 Å²	27	53.1 Å²	53.1	28%	0.278	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-3	-178.1	0	0	0	0	0	115.8	H697 S700	H697-G702 VanDerWaalsContact CE1-CA 3.43Å; H697-G702 WeakPolarHBondContact CE1-CA 3.44Å; H697-G702 PolarHBondContact CE1-O 2.83Å; H697-G702 WeakPolarHBondContact O-CA 3.44Å; H697-G702 PolarHBondContact O-N 2.91Å; S700-G702 PolarHBondContact O-N 3.21Å
703	Q	94.9	Very high	97	Very high	176 Å²	176	50.4 Å²	50.4	82%	0.822	29%	0.293	S	S	*	.			trans	-66.9	-42.4	-177.3	-65.5	178.2	24.1	0	0	112.6	S700 T705	S700-Q703 WeakPolarHBondContact O-CB 3.32Å; S700-Q703 VanDerWaalsContact O-CG 3.28Å; S700-Q703 WeakPolarHBondContact O-CG 3.41Å; S700-Q703 PolarHBondContact O-N 3.35Å; Q703-T705 PolarHBondContact O-N 3.09Å
704	Q	96.1	Very high	97	Very high	104 Å²	104	54.9 Å²	54.9	49%	0.486	31%	0.312	S	S	.	.	S	Bend	trans	-80.3	104.4	174.7	-174.8	170.9	-34.8	0	0	109.5	H697 S700	H697-Q704 PolarHBondContact ND1-O 2.89Å; S700-Q704 VanDerWaalsContact OG-CB 3.3Å; S700-Q704 WeakPolarHBondContact OG-CB 3.23Å; S700-Q704 PolarHBondContact OG-N 3.27Å
705	T	96.1	Very high	97.1	Very high	73 Å²	73	55 Å²	55	45%	0.448	31%	0.313	S	S	.	.			trans	-101.3	143.1	178.1	76.2	0	0	0	0	112.1	K582 Q703	K582-T705 PolarHBondContact NZ-OG1 3.39Å; Q703-T705 PolarHBondContact O-N 3.09Å
706	F	98.1	Very high	97.1	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.035	30%	0.303	C	S	.	.			trans	-121.9	167.2	174.5	65.9	-84.8	0	0	0	111.2	P540 K582 Q583 F690 L693 V694 H697 Y711	P540-F706 HydrophobicContact CB-CE1 4.13Å; P540-F706 HydrophobicContact CB-CZ 3.84Å; P540-F706 HydrophobicContact CG-CE1 4.36Å; K582-F706 WeakPolarHBondContact CB-O 3.2Å; Q583-F706 HydrophobicContact CG-CE2 3.79Å; Q583-F706 HydrophobicContact CG-CZ 3.98Å; Q583-F706 PolarHBondContact NE2-O 3.11Å; F690-F706 HydrophobicContact CD2-CE2 4.02Å; F690-F706 HydrophobicContact CD2-CZ 4.32Å; F690-F706 AromaticContact CE2-CE2 3.89Å; F690-F706 HydrophobicContact CE2-CE2 3.89Å; F690-F706 AromaticContact CE2-CZ 3.84Å; F690-F706 HydrophobicContact CE2-CZ 3.84Å; L693-F706 HydrophobicContact CB-CB 4.23Å; L693-F706 HydrophobicContact CB-CD1 3.97Å; L693-F706 HydrophobicContact CB-CD2 4.16Å; L693-F706 HydrophobicContact CB-CE1 4.36Å; L693-F706 HydrophobicContact CB-CG 3.87Å; L693-F706 HydrophobicContact CD1-CB 4.14Å; L693-F706 HydrophobicContact CD1-CD2 4.23Å; L693-F706 HydrophobicContact CD1-CG 4.3Å; L693-F706 HydrophobicContact CD2-CB 4.08Å; L693-F706 HydrophobicContact CG-CB 4.39Å; V694-F706 HydrophobicContact CB-CE1 4.21Å; V694-F706 HydrophobicContact CB-CZ 4.15Å; V694-F706 HydrophobicContact CG2-CE1 4.49Å; V694-F706 HydrophobicContact CG2-CZ 4.48Å; H697-F706 HydrophobicContact CB-CD1 4.33Å; H697-F706 HydrophobicContact CB-CE1 4.07Å; F706-Y711 AromaticContact CD2-CD1 3.99Å; F706-Y711 HydrophobicContact CD2-CD1 3.99Å; F706-Y711 AromaticContact CD2-CE1 3.83Å; F706-Y711 HydrophobicContact CD2-CE1 3.83Å; F706-Y711 HydrophobicContact CE2-CD1 4.14Å; F706-Y711 AromaticContact CE2-CE1 3.71Å; F706-Y711 HydrophobicContact CE2-CE1 3.71Å
707	S	97.8	Very high	97.1	Very high	40 Å²	40	55.6 Å²	55.6	28%	0.28	33%	0.325	S	S	.	.			trans	-122.3	168	-178.6	79.1	0	0	0	0	112.9	K582 L709 D710 Y711	K582-S707 CarbonylContact O-C 3.03Å; K582-S707 VanDerWaalsContact O-CA 3.3Å; K582-S707 WeakPolarHBondContact O-CA 3.13Å; S707-L709 PolarHBondContact O-N 3.22Å; S707-L709 PolarHBondContact OG-N 3.46Å; S707-D710 WeakPolarHBondContact CA-OD2 3.41Å; S707-D710 VanDerWaalsContact CB-OD2 3.3Å; S707-D710 WeakPolarHBondContact CB-OD2 3.43Å; S707-D710 PolarHBondContact N-OD2 3.01Å; S707-D710 PolarHBondContact O-N 3.27Å; S707-D710 VanDerWaalsContact O-N 3.14Å; S707-D710 PolarHBondContact OG-OD2 2.74Å; S707-Y711 VanDerWaalsContact O-CD1 3.23Å; S707-Y711 WeakPolarHBondContact O-CD1 3.34Å; S707-Y711 VanDerWaalsContact O-CE1 3.22Å; S707-Y711 WeakPolarHBondContact O-CE1 3.41Å
708	A	97.6	Very high	97.1	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.033	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.3	175.8	0	0	0	0	0	115.1	K582 R584 F675 T712	K582-A708 PolarHBondContact O-N 2.89Å; R584-A708 HydrophobicContact CB-CB 4.35Å; R584-A708 HydrophobicContact CG-CB 3.55Å; F675-A708 HydrophobicContact CE1-CB 4.48Å; F675-A708 HydrophobicContact CZ-CB 4.01Å; A708-T712 VanDerWaalsContact O-CG2 3.29Å; A708-T712 WeakPolarHBondContact O-CG2 3.39Å
709	L	97.9	Very high	97.2	Very high	73 Å²	73	52.9 Å²	52.9	38%	0.382	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-29.3	179.9	-68.7	175.2	0	0	0	113.3	K674 F675 S707 Y711 T712	K674-L709 HydrophobicContact CG-CD2 4.26Å; F675-L709 HydrophobicContact CD1-CD2 3.95Å; F675-L709 HydrophobicContact CE1-CD2 3.81Å; F675-L709 HydrophobicContact CZ-CD2 4.26Å; S707-L709 PolarHBondContact O-N 3.22Å; S707-L709 PolarHBondContact OG-N 3.46Å; L709-Y711 PolarHBondContact O-N 3.08Å; L709-Y711 VanDerWaalsContact O-N 3.13Å; L709-T712 HydrophobicContact CD2-CG2 4.48Å; L709-T712 WeakPolarHBondContact O-CG2 3.29Å; L709-T712 PolarHBondContact O-N 3.39Å; L709-T712 PolarHBondContact O-OG1 2.75Å
710	D	98.3	Very high	97.3	Very high	75 Å²	75	49.7 Å²	49.7	40%	0.401	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.9	-170.9	-62.6	-68.4	0	0	0	114.5	R689 L693 S707	R689-D710 WeakPolarHBondContact CG-O 3.31Å; R689-D710 PolarHBondContact NE-O 2.86Å; L693-D710 HydrophobicContact CD1-CB 3.7Å; S707-D710 WeakPolarHBondContact CA-OD2 3.41Å; S707-D710 VanDerWaalsContact CB-OD2 3.3Å; S707-D710 WeakPolarHBondContact CB-OD2 3.43Å; S707-D710 PolarHBondContact N-OD2 3.01Å; S707-D710 PolarHBondContact O-N 3.27Å; S707-D710 VanDerWaalsContact O-N 3.14Å; S707-D710 PolarHBondContact OG-OD2 2.74Å
711	Y	98.4	Very high	97.3	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	38.1	-179.7	63.9	-80.5	0	0	0	112.3	T542 R584 I685 D686 F690 L693 F706 S707 L709	T542-Y711 HydrophobicContact CG2-CE2 4.12Å; T542-Y711 WeakPolarHBondContact O-CE2 3.42Å; T542-Y711 PolarHBondContact O-OH 3.08Å; R584-Y711 HydrophobicContact CG-CE1 4.48Å; R584-Y711 HydrophobicContact CG-CE2 4.08Å; R584-Y711 WeakPolarHBondContact CG-OH 3.49Å; R584-Y711 PolarHBondContact N-OH 3.12Å; R584-Y711 VanDerWaalsContact N-OH 3.12Å; I685-Y711 HydrophobicContact CG2-CD2 4.04Å; I685-Y711 HydrophobicContact CG2-CE2 4.36Å; D686-Y711 PolarHBondContact N-O 3.11Å; F690-Y711 HydrophobicContact CB-CD2 3.69Å; F690-Y711 HydrophobicContact CB-CE2 4.24Å; F690-Y711 HydrophobicContact CB-CG 4.05Å; F690-Y711 HydrophobicContact CD2-CD1 4.4Å; F690-Y711 AromaticContact CD2-CD2 3.84Å; F690-Y711 HydrophobicContact CD2-CD2 3.84Å; F690-Y711 HydrophobicContact CD2-CE1 4.19Å; F690-Y711 AromaticContact CD2-CE2 3.57Å; F690-Y711 HydrophobicContact CD2-CE2 3.57Å; F690-Y711 HydrophobicContact CD2-CG 4.24Å; F690-Y711 AromaticContact CD2-CZ 3.77Å; F690-Y711 HydrophobicContact CE2-CE2 4.42Å; F690-Y711 HydrophobicContact CG-CD2 4.17Å; F690-Y711 HydrophobicContact CG-CE2 4.22Å; L693-Y711 HydrophobicContact CD1-CD1 4.43Å; F706-Y711 AromaticContact CD2-CD1 3.99Å; F706-Y711 HydrophobicContact CD2-CD1 3.99Å; F706-Y711 AromaticContact CD2-CE1 3.83Å; F706-Y711 HydrophobicContact CD2-CE1 3.83Å; F706-Y711 HydrophobicContact CE2-CD1 4.14Å; F706-Y711 AromaticContact CE2-CE1 3.71Å; F706-Y711 HydrophobicContact CE2-CE1 3.71Å; S707-Y711 VanDerWaalsContact O-CD1 3.23Å; S707-Y711 WeakPolarHBondContact O-CD1 3.34Å; S707-Y711 VanDerWaalsContact O-CE1 3.22Å; S707-Y711 WeakPolarHBondContact O-CE1 3.41Å; L709-Y711 PolarHBondContact O-N 3.08Å; L709-Y711 VanDerWaalsContact O-N 3.13Å
712	T	98.3	Very high	97.4	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.8	176.8	58.2	0	0	0	0	112.6	F675 R682 A708 L709	F675-T712 HydrophobicContact CD1-CG2 3.74Å; F675-T712 HydrophobicContact CE1-CG2 3.71Å; R682-T712 PolarHBondContact NE-OG1 3.39Å; R682-T712 PolarHBondContact NH2-O 3.4Å; A708-T712 VanDerWaalsContact O-CG2 3.29Å; A708-T712 WeakPolarHBondContact O-CG2 3.39Å; L709-T712 HydrophobicContact CD2-CG2 4.48Å; L709-T712 WeakPolarHBondContact O-CG2 3.29Å; L709-T712 PolarHBondContact O-N 3.39Å; L709-T712 PolarHBondContact O-OG1 2.75Å
713	A	98.2	Very high	97.5	Very high	23 Å²	23	50.9 Å²	50.9	19%	0.19	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.1	170	0	0	0	0	0	110.8	R682 W684 D686	R682-A713 CarbonylContact C-O 3.56Å; R682-A713 VanDerWaalsContact C-O 3.28Å; R682-A713 WeakPolarHBondContact CA-O 3.31Å; R682-A713 WeakPolarHBondContact CB-O 3.27Å; W684-A713 HydrophobicContact CB-CB 3.86Å; W684-A713 PolarHBondContact N-O 3.47Å; W684-A713 PolarHBondContact O-N 2.9Å; D686-A713 HydrophobicContact CB-CB 4.33Å
714	K	98.3	Very high	97.6	Very high	108 Å²	108	49.9 Å²	49.9	47%	0.47	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.9	133.5	179.7	177.7	170.5	179.5	161.8	0	110.9	E680	E680-K714 WeakPolarHBondContact OE1-CE 3.26Å; E680-K714 IonicContact OE1-NZ 3.8Å; E680-K714 PolarHBondContact OE1-NZ 3.28Å; E680-K714 WeakPolarHBondContact OE2-CE 3.38Å; E680-K714 IonicContact OE2-NZ 3.93Å; E680-K714 PolarHBondContact OE2-NZ 2.93Å
715	T	98.4	Very high	97.6	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.9	129.9	173.2	-50.4	0	0	0	0	110	W681 T683 A719 L720	W681-T715 PolarHBondContact O-N 3.5Å; W681-T715 PolarHBondContact O-OG1 2.97Å; T683-T715 WeakPolarHBondContact CB-OG1 3.41Å; T683-T715 PolarHBondContact N-OG1 3.1Å; T683-T715 WeakPolarHBondContact OG1-CG2 3.4Å; T683-T715 PolarHBondContact OG1-OG1 2.59Å; T715-A719 HydrophobicContact CG2-CB 3.96Å; T715-L720 HydrophobicContact CG2-CD2 3.64Å
716	P	98	Very high	97.6	Very high	29 Å²	29	47.9 Å²	47.9	19%	0.188	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-62.9	151.4	174.7	-23.4	34.3	0	0	0	112.9	W684 W718 A719	W684-P716 HydrophobicContact CD2-CG 4.08Å; W684-P716 HydrophobicContact CE3-CG 4.26Å; W684-P716 HydrophobicContact CH2-CG 3.77Å; W684-P716 HydrophobicContact CZ2-CG 3.54Å; W684-P716 HydrophobicContact CZ3-CG 4.11Å; P716-W718 HydrophobicContact CB-CD2 4.18Å; P716-W718 HydrophobicContact CB-CG 4.19Å; P716-W718 HydrophobicContact CB-CZ2 4.17Å; P716-W718 VanDerWaalsContact CB-NE1 3.32Å; P716-W718 HydrophobicContact CG-CZ2 4.04Å; P716-W718 PolarHBondContact O-N 3.17Å; P716-A719 HydrophobicContact CB-CB 4.41Å; P716-A719 WeakPolarHBondContact O-CB 3.48Å; P716-A719 PolarHBondContact O-N 3.35Å; P716-A719 VanDerWaalsContact O-N 3.07Å
717	S	97.8	Very high	97.4	Very high	92 Å²	92	47.5 Å²	47.5	64%	0.643	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-59.5	-42	179.7	47.4	0	0	0	0	113.4	A719 L720	S717-A719 PolarHBondContact O-N 2.87Å; S717-L720 WeakPolarHBondContact O-CB 3.45Å; S717-L720 PolarHBondContact O-N 3Å; S717-L720 VanDerWaalsContact O-N 3.13Å
718	W	97.4	Very high	97.2	Very high	29 Å²	29	46.4 Å²	46.4	11%	0.11	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.9	-15.5	177	61.5	-104.8	0	0	0	114	H412 T413 W684 P716 S723 E725 G727 D729 P730	H412-W718 AromaticContact CD2-CH2 3.75Å; H412-W718 AromaticContact NE2-CH2 3.91Å; T413-W718 HydrophobicContact CG2-CE3 4.47Å; T413-W718 HydrophobicContact CG2-CZ3 3.94Å; W684-W718 HydrophobicContact CH2-CZ2 4.14Å; W684-W718 AromaticContact CZ2-CH2 3.97Å; W684-W718 HydrophobicContact CZ2-CH2 3.97Å; W684-W718 AromaticContact CZ2-CZ2 3.85Å; W684-W718 HydrophobicContact CZ2-CZ2 3.85Å; P716-W718 HydrophobicContact CB-CD2 4.18Å; P716-W718 HydrophobicContact CB-CG 4.19Å; P716-W718 HydrophobicContact CB-CZ2 4.17Å; P716-W718 VanDerWaalsContact CB-NE1 3.32Å; P716-W718 HydrophobicContact CG-CZ2 4.04Å; P716-W718 PolarHBondContact O-N 3.17Å; W718-S723 PolarHBondContact O-OG 3.21Å; W718-S723 VanDerWaalsContact O-OG 3.11Å; W718-E725 HydrophobicContact CB-CB 3.87Å; W718-E725 HydrophobicContact CB-CG 3.71Å; W718-G727 WeakPolarHBondContact CZ3-O 3.44Å; W718-G727 VanDerWaalsContact O-CA 3.23Å; W718-G727 WeakPolarHBondContact O-CA 3.44Å; W718-G727 PolarHBondContact O-N 3.2Å; W718-D729 HydrophobicContact CE3-CB 4.4Å; W718-D729 HydrophobicContact CH2-CB 3.79Å; W718-D729 HydrophobicContact CZ2-CB 4.05Å; W718-D729 HydrophobicContact CZ3-CB 3.96Å; W718-P730 HydrophobicContact CB-CG 4.28Å; W718-P730 VanDerWaalsContact CG-CD 3.44Å; W718-P730 HydrophobicContact CG-CG 4.04Å
719	A	97.8	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-93.3	-7.7	178	0	0	0	0	0	113.1	T413 C660 T715 P716 S717	T413-A719 HydrophobicContact CG2-CB 3.62Å; T413-A719 WeakPolarHBondContact O-CB 3.35Å; C660-A719 VanDerWaalsContact CA-O 3.26Å; C660-A719 WeakPolarHBondContact CA-O 3.34Å; C660-A719 WeakPolarHBondContact CB-O 3.1Å; C660-A719 PolarHBondContact SG-O 3.07Å; T715-A719 HydrophobicContact CG2-CB 3.96Å; P716-A719 HydrophobicContact CB-CB 4.41Å; P716-A719 WeakPolarHBondContact O-CB 3.48Å; P716-A719 PolarHBondContact O-N 3.35Å; P716-A719 VanDerWaalsContact O-N 3.07Å; S717-A719 PolarHBondContact O-N 2.87Å
720	L	98.3	Very high	97	Very high	55 Å²	55	47.8 Å²	47.8	29%	0.288	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-76.7	149.5	-178.4	-58.5	-175.9	0	0	0	111.7	A659 W681 T715 S717 G722 S723	A659-L720 WeakPolarHBondContact O-CA 3.23Å; W681-L720 HydrophobicContact CB-CD2 4.14Å; W681-L720 HydrophobicContact CG-CD2 4.39Å; T715-L720 HydrophobicContact CG2-CD2 3.64Å; S717-L720 WeakPolarHBondContact O-CB 3.45Å; S717-L720 PolarHBondContact O-N 3Å; S717-L720 VanDerWaalsContact O-N 3.13Å; L720-G722 PolarHBondContact O-N 2.82Å; L720-S723 WeakPolarHBondContact O-CB 3.19Å; L720-S723 PolarHBondContact O-N 3.14Å; L720-S723 PolarHBondContact O-OG 3.23Å
721	F	98	Very high	96.8	Very high	73 Å²	73	47.2 Å²	47.2	32%	0.32	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	132.2	170	176.4	-118.6	0	0	0	110.7	V643 I658 A659 E661 L668	V643-F721 HydrophobicContact CG1-CE2 4.07Å; V643-F721 HydrophobicContact CG1-CZ 3.99Å; I658-F721 HydrophobicContact CB-CD1 4Å; I658-F721 HydrophobicContact CB-CG 4.31Å; I658-F721 HydrophobicContact CD1-CD1 4.15Å; I658-F721 HydrophobicContact CD1-CE1 3.81Å; I658-F721 HydrophobicContact CD1-CZ 4.17Å; I658-F721 HydrophobicContact CG2-CB 3.72Å; I658-F721 HydrophobicContact CG2-CD1 3.79Å; I658-F721 HydrophobicContact CG2-CD2 4.1Å; I658-F721 HydrophobicContact CG2-CE1 4.43Å; I658-F721 HydrophobicContact CG2-CG 3.59Å; A659-F721 PolarHBondContact O-N 3.47Å; E661-F721 HydrophobicContact CB-CD2 4.1Å; E661-F721 HydrophobicContact CG-CD2 4.26Å; E661-F721 WeakPolarHBondContact OE1-CA 3.33Å; L668-F721 HydrophobicContact CD2-CD2 3.81Å; L668-F721 HydrophobicContact CD2-CE2 3.77Å
722	G	95.8	Very high	96.5	Very high	66 Å²	66	47.7 Å²	47.7	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	13.9	-172.9	0	0	0	0	0	114.5	E661 L720	E661-G722 PolarHBondContact OE1-N 3.15Å; L720-G722 PolarHBondContact O-N 2.82Å
723	S	97	Very high	96	Very high	17 Å²	17	52.1 Å²	52.1	12%	0.119	31%	0.309	C	S	.	.			trans	-75.4	150.2	171.9	56.4	0	0	0	0	111.9	W718 L720 E725 Q726	W718-S723 PolarHBondContact O-OG 3.21Å; W718-S723 VanDerWaalsContact O-OG 3.11Å; L720-S723 WeakPolarHBondContact O-CB 3.19Å; L720-S723 PolarHBondContact O-N 3.14Å; L720-S723 PolarHBondContact O-OG 3.23Å; S723-E725 PolarHBondContact O-N 3.47Å; S723-Q726 PolarHBondContact O-N 3.11Å; S723-Q726 VanDerWaalsContact O-N 3.11Å; S723-Q726 PolarHBondContact OG-N 3.37Å
724	N	96.4	Very high	95.1	Very high	155 Å²	155	54.8 Å²	54.8	83%	0.829	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.6	176.5	-69.4	-38.5	0	0	0	111.9	Q726	N724-Q726 VanDerWaalsContact C-N 3.33Å
725	E	96	Very high	93.9	Very high	75 Å²	75	54 Å²	54	35%	0.35	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.1	179.2	-59.5	77	-167.4	0	0	112.9	W718 S723 G727 F728	W718-E725 HydrophobicContact CB-CB 3.87Å; W718-E725 HydrophobicContact CB-CG 3.71Å; S723-E725 PolarHBondContact O-N 3.47Å; E725-G727 PolarHBondContact O-N 3.06Å; E725-F728 WeakPolarHBondContact CB-O 3.31Å; E725-F728 VanDerWaalsContact O-CB 3.3Å; E725-F728 WeakPolarHBondContact O-CB 3.32Å; E725-F728 PolarHBondContact O-N 3.01Å
726	Q	95.1	Very high	92.5	Very high	59 Å²	59	60.2 Å²	60.2	28%	0.276	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	39.1	-178.8	-53.3	171.4	-89.5	0	0	112.5	H662 E663 S723 N724	H662-Q726 WeakPolarHBondContact CA-O 3.36Å; E663-Q726 HydrophobicContact CB-CB 4.01Å; E663-Q726 VanDerWaalsContact CD-NE2 3.27Å; E663-Q726 PolarHBondContact N-O 3.26Å; E663-Q726 PolarHBondContact OE1-NE2 3.14Å; E663-Q726 PolarHBondContact OE2-OE1 3.34Å; S723-Q726 PolarHBondContact O-N 3.11Å; S723-Q726 VanDerWaalsContact O-N 3.11Å; S723-Q726 PolarHBondContact OG-N 3.37Å; N724-Q726 VanDerWaalsContact C-N 3.33Å
727	G	94.3	Very high	90.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	3.3	-177.9	0	0	0	0	0	116.8	T413 E661 H662 W718 E725	T413-G727 VanDerWaalsContact CG2-CA 3.43Å; T413-G727 WeakPolarHBondContact CG2-O 3.33Å; T413-G727 PolarHBondContact OG1-O 2.61Å; E661-G727 VanDerWaalsContact O-CA 3.24Å; E661-G727 WeakPolarHBondContact O-CA 3.46Å; H662-G727 PolarHBondContact CD2-O 3.3Å; W718-G727 WeakPolarHBondContact CZ3-O 3.44Å; W718-G727 VanDerWaalsContact O-CA 3.23Å; W718-G727 WeakPolarHBondContact O-CA 3.44Å; W718-G727 PolarHBondContact O-N 3.2Å; E725-G727 PolarHBondContact O-N 3.06Å
728	F	94	Very high	88.3	Confident	17 Å²	17	74.4 Å²	74.4	8%	0.075	38%	0.375	C	S	.	.			trans	-85.4	127.9	177.4	-168.6	-86.7	0	0	0	110.8	E725 P730 D732 R734	E725-F728 WeakPolarHBondContact CB-O 3.31Å; E725-F728 VanDerWaalsContact O-CB 3.3Å; E725-F728 WeakPolarHBondContact O-CB 3.32Å; E725-F728 PolarHBondContact O-N 3.01Å; F728-P730 WeakPolarHBondContact O-CD 3.36Å; F728-D732 HydrophobicContact CE1-CB 4.18Å; F728-D732 HydrophobicContact CZ-CB 4.28Å; F728-R734 HydrophobicContact CD1-CB 4.35Å; F728-R734 HydrophobicContact CD2-CB 4.4Å; F728-R734 HydrophobicContact CD2-CG 4.25Å; F728-R734 HydrophobicContact CE1-CB 3.88Å; F728-R734 HydrophobicContact CE2-CB 3.93Å; F728-R734 HydrophobicContact CE2-CG 3.95Å; F728-R734 VanDerWaalsContact CZ-CA 3.43Å; F728-R734 HydrophobicContact CZ-CB 3.66Å; F728-R734 HydrophobicContact CZ-CG 4.22Å
729	D	95.6	Very high	85.6	Confident	23 Å²	23	79.3 Å²	79.3	12%	0.123	40%	0.404	C	S	.	.			trans	-65.7	119.9	-178	-173.4	-17.5	0	0	0	111.6	H412 W718 A731 D732	H412-D729 IonicContact CD2-OD2 2.71Å; H412-D729 IonicContact CE1-OD2 2.65Å; H412-D729 IonicContact NE2-OD2 3.09Å; H412-D729 PolarHBondContact NE2-OD2 3.11Å; W718-D729 HydrophobicContact CE3-CB 4.4Å; W718-D729 HydrophobicContact CH2-CB 3.79Å; W718-D729 HydrophobicContact CZ2-CB 4.05Å; W718-D729 HydrophobicContact CZ3-CB 3.96Å; D729-A731 PolarHBondContact O-N 3.28Å; D729-A731 VanDerWaalsContact OD1-CB 3.29Å; D729-A731 WeakPolarHBondContact OD1-CB 3.24Å; D729-A731 PolarHBondContact OD1-N 3.36Å; D729-D732 PolarHBondContact O-N 2.99Å
730	P	95.8	Very high	82.9	Confident	84 Å²	84	89.5 Å²	89.5	55%	0.545	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.9	179.6	28.6	-35.6	0	0	0	114.2	W718 F728 D732	W718-P730 HydrophobicContact CB-CG 4.28Å; W718-P730 VanDerWaalsContact CG-CD 3.44Å; W718-P730 HydrophobicContact CG-CG 4.04Å; F728-P730 WeakPolarHBondContact O-CD 3.36Å; P730-D732 PolarHBondContact O-N 3.21Å
731	A	93.6	Very high	80.3	Confident	62 Å²	62	92.7 Å²	92.7	51%	0.512	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.6	169.7	0	0	0	0	0	113.7	K482 D729	K482-A731 PolarHBondContact NZ-O 3.26Å; D729-A731 PolarHBondContact O-N 3.28Å; D729-A731 VanDerWaalsContact OD1-CB 3.29Å; D729-A731 WeakPolarHBondContact OD1-CB 3.24Å; D729-A731 PolarHBondContact OD1-N 3.36Å
732	D	92.3	Very high	77.6	Confident	12 Å²	12	98.6 Å²	98.6	6%	0.064	50%	0.496	C	S	.	.	S	Bend	trans	-122.5	168.2	178.1	-93.3	9.2	0	0	0	112.9	G405 R406 G407 K482 R485 F728 D729 P730	G405-D732 VanDerWaalsContact CA-CG 3.47Å; G405-D732 WeakPolarHBondContact CA-OD1 3.11Å; G405-D732 WeakPolarHBondContact CA-OD2 3.5Å; G405-D732 WeakPolarHBondContact O-CB 3.33Å; R406-D732 PolarHBondContact N-OD2 2.93Å; G407-D732 VanDerWaalsContact CA-OD2 3.28Å; G407-D732 WeakPolarHBondContact CA-OD2 3.31Å; G407-D732 PolarHBondContact N-OD2 3Å; K482-D732 IonicContact NZ-OD1 2.79Å; K482-D732 PolarHBondContact NZ-OD1 3.37Å; R485-D732 IonicContact CZ-OD1 3.14Å; R485-D732 IonicContact CZ-OD2 3.67Å; R485-D732 IonicContact NH1-OD1 2.9Å; R485-D732 PolarHBondContact NH1-OD1 3.26Å; R485-D732 IonicContact NH1-OD2 2.62Å; R485-D732 PolarHBondContact NH1-OD2 3.25Å; R485-D732 IonicContact NH2-OD1 2.72Å; R485-D732 PolarHBondContact NH2-OD1 2.86Å; R485-D732 IonicContact NH2-OD2 3.31Å; F728-D732 HydrophobicContact CE1-CB 4.18Å; F728-D732 HydrophobicContact CZ-CB 4.28Å; D729-D732 PolarHBondContact O-N 2.99Å; P730-D732 PolarHBondContact O-N 3.21Å
733	T	88.2	Confident	75.2	Confident	111 Å²	111	98.8 Å²	98.8	68%	0.681	48%	0.481	S	S	*	.			trans	-116.8	113.5	-174.6	-52.8	0	0	0	0	110.4	G405 R406 F735	G405-T733 PolarHBondContact O-N 2.95Å; R406-T733 WeakPolarHBondContact CA-O 3.32Å; T733-F735 PolarHBondContact O-N 2.89Å
734	R	78.1	Confident	72.7	Confident	79 Å²	79	106.2 Å²	106.2	30%	0.298	52%	0.518	S	S	.	.			trans	-64.4	101.1	-176.5	-168.7	-171.3	-89	-144.1	3.3	111.5	E663 F728 Q736	E663-R734 IonicContact OE2-CZ 3.64Å; E663-R734 VanDerWaalsContact OE2-CZ 3.29Å; E663-R734 IonicContact OE2-NH1 3.56Å; E663-R734 PolarHBondContact OE2-NH1 3.14Å; E663-R734 IonicContact OE2-NH2 3.57Å; E663-R734 PolarHBondContact OE2-NH2 3.41Å; F728-R734 HydrophobicContact CD1-CB 4.35Å; F728-R734 HydrophobicContact CD2-CB 4.4Å; F728-R734 HydrophobicContact CD2-CG 4.25Å; F728-R734 HydrophobicContact CE1-CB 3.88Å; F728-R734 HydrophobicContact CE2-CB 3.93Å; F728-R734 HydrophobicContact CE2-CG 3.95Å; F728-R734 VanDerWaalsContact CZ-CA 3.43Å; F728-R734 HydrophobicContact CZ-CB 3.66Å; F728-R734 HydrophobicContact CZ-CG 4.22Å; R734-Q736 PolarHBondContact O-N 3.29Å
735	F	74.6	Confident	70.2	Confident	90 Å²	90	100.3 Å²	100.3	40%	0.395	49%	0.489	S	S	.	.			trans	-75.3	120.5	-175.9	-177.2	-100.7	0	0	0	112.7	R406 T733 R737	R406-F735 HydrophobicContact CB-CB 4.12Å; R406-F735 HydrophobicContact CG-CB 3.99Å; T733-F735 PolarHBondContact O-N 2.89Å; F735-R737 HydrophobicContact CE1-CG 4.04Å
736	Q	69.3	Low	67.3	Low	136 Å²	136	100.4 Å²	100.4	64%	0.636	51%	0.509	S	S	*	.			trans	-110.3	122.9	178.7	-59	-169.2	19.6	0	0	111.9	R734 R738	R734-Q736 PolarHBondContact O-N 3.29Å; Q736-R738 PolarHBondContact O-N 2.84Å
737	R	55.4	Low	64.3	Low	188 Å²	188	102.1 Å²	102.1	71%	0.709	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	3.9	179.6	-77.9	-175.5	168.6	177.1	-2.5	115.7	F735 C747	F735-R737 HydrophobicContact CE1-CG 4.04Å; R737-C747 PolarHBondContact NH2-O 3.11Å; R737-C747 PolarHBondContact NH2-OXT 3.28Å
738	R	51	Low	62.8	Low	231 Å²	231	107.3 Å²	107.3	87%	0.872	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-14.2	-175.2	-92.1	-174.5	169.3	-178.3	-3.3	115	Q736	Q736-R738 PolarHBondContact O-N 2.84Å
739	N	41	Very low	61.1	Low	133 Å²	133	112 Å²	112	71%	0.711	58%	0.579	S	S	*	*	S	Bend	trans	-76.9	128.9	174.5	-75.4	-8	0	0	0	110.6	T741	N739-T741 PolarHBondContact O-N 2.92Å
740	K	40.9	Very low	59.2	Low	213 Å²	213	116.9 Å²	116.9	93%	0.926	60%	0.604	S	S	*	*			trans	-73.9	10.5	-170.3	-70.4	-175.1	175.8	-180	0	115.8	K742	K740-K742 PolarHBondContact O-N 3.4Å
741	T	44.4	Very low	57.1	Low	123 Å²	123	118.9 Å²	118.9	76%	0.755	61%	0.607	S	S	*	*	S	Bend	trans	-73.1	117	171.6	14.2	0	0	0	0	109.7	N739 D743	N739-T741 PolarHBondContact O-N 2.92Å; T741-D743 PolarHBondContact O-N 2.81Å
742	K	41.1	Very low	54.8	Low	197 Å²	197	122.4 Å²	122.4	86%	0.857	61%	0.613	S	S	*	*			trans	-55.1	121.1	178.2	-78.3	-177.8	173.6	178.9	0	110.5	K740 I744	K740-K742 PolarHBondContact O-N 3.4Å; K742-I744 PolarHBondContact O-N 3.01Å
743	D	46.2	Very low	52.3	Low	69 Å²	69	129.8 Å²	129.8	37%	0.369	65%	0.65	S	S	.	*			trans	-73.1	109.5	174.4	-165.7	-29.5	0	0	0	109.5	R406 T741 S745	R406-D743 IonicContact NH1-OD2 3.03Å; T741-D743 PolarHBondContact O-N 2.81Å; D743-S745 PolarHBondContact O-N 3.04Å; D743-S745 WeakPolarHBondContact OD1-CA 3.43Å; D743-S745 VanDerWaalsContact OD1-CB 3.28Å; D743-S745 WeakPolarHBondContact OD1-CB 3.48Å; D743-S745 PolarHBondContact OD1-N 3.11Å; D743-S745 PolarHBondContact OD1-OG 3.01Å
744	I	44	Very low	49.7	Very low	174 Å²	174	131.1 Å²	131.1	89%	0.892	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-12.1	-179.4	-41.5	178.1	0	0	0	111.1	K742	K742-I744 PolarHBondContact O-N 3.01Å
745	S	42.7	Very low	47.5	Very low	31 Å²	31	135.2 Å²	135.2	22%	0.217	68%	0.675	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	2.9	-174.1	76.4	0	0	0	0	115.9	D743 C747	D743-S745 PolarHBondContact O-N 3.04Å; D743-S745 WeakPolarHBondContact OD1-CA 3.43Å; D743-S745 VanDerWaalsContact OD1-CB 3.28Å; D743-S745 WeakPolarHBondContact OD1-CB 3.48Å; D743-S745 PolarHBondContact OD1-N 3.11Å; D743-S745 PolarHBondContact OD1-OG 3.01Å; S745-C747 PolarHBondContact O-N 3.15Å; S745-C747 PolarHBondContact O-SG 3.02Å
746	G	35.8	Very low	45.3	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	70%	0.698	S	S	*	*			trans	59.6	39.3	165.7	0	0	0	0	0	115.9
747	C	31.7	Very low	43.1	Very low	96 Å²	96	139.2 Å²	139.2	65%	0.649	70%	0.704	S	S	*	*			trans	-125.1	0	-174.1	-72.6	0	0	0	0	113.3	R737 S745	R737-C747 PolarHBondContact NH2-O 3.11Å; R737-C747 PolarHBondContact NH2-OXT 3.28Å; S745-C747 PolarHBondContact O-N 3.15Å; S745-C747 PolarHBondContact O-SG 3.02Å

Retrieved 747 of 747 residues in 378.7 ms (Link to these results)

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