A0A087YJ35_POEFO Loading...

Tyrosyl-DNA phosphodiesterase 1

DNA repair enzyme that can remove a variety of covalent adducts from DNA through hydrolysis of a 3'-phosphodiester bond, giving rise to DNA with a free 3' phosphate. Catalyzes the hydrolysis of dead-end complexes between DNA and the topoisomerase I active site tyrosine residue. Hydrolyzes 3'-phosphoglycolates on protruding 3' ends on DNA double-strand breaks due to DNA damage by radiation and free radicals. Acts on blunt-ended double-strand DNA breaks and on single-stranded DNA. Has low 3'exonuclease activity and can remove a single nucleoside from the 3'end of DNA and RNA molecules with 3'hydroxyl groups. Has no exonuclease activity towards DNA or RNA with a 3'phosphate.

AlphaFold DB , UniProt , Accession A0A087YJ35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 645 aa.

Structure Viewer

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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	35.2	Very low	33.2	Very low	237 Å²	237	167.5 Å²	167.5	100%	1.167	79%	0.791	S	S	*	*				0	153.7	0	-77.1	172.1	163.9	0	0	108.5
2	N	34.5	Very low	32.9	Very low	152 Å²	152	170.3 Å²	170.3	81%	0.813	79%	0.788	S	S	*	*			trans	63.9	128.5	179.4	-61.8	-8.2	0	0	0	113.8
3	R	33.6	Very low	32.6	Very low	223 Å²	223	164.8 Å²	164.8	84%	0.842	78%	0.781	S	S	*	*			cis	61.8	135.5	37.1	-67.2	-171.7	172	178.9	-1.6	112.4
4	N	33.6	Very low	32.4	Very low	109 Å²	109	165.6 Å²	165.6	58%	0.583	79%	0.791	S	S	*	*			cis	-157.2	167.4	4.1	-129.4	2.9	0	0	0	111.4
5	Q	36.3	Very low	32.4	Very low	135 Å²	135	161.7 Å²	161.7	63%	0.631	79%	0.788	S	S	*	*			trans	16.5	152.5	131.3	-61.1	179.9	31.8	0	0	119.9
6	R	35.3	Very low	33.2	Very low	197 Å²	197	159.7 Å²	159.7	74%	0.743	79%	0.791	S	S	*	*			cis	-173.7	158.5	-1.6	-114.6	171.2	168.3	175.8	-9.4	106.9
7	S	31.6	Very low	33.1	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	80%	0.796	S	S	*	*			trans	-156	128.1	141	-167.3	0	0	0	0	111.2
8	Q	33.3	Very low	32.8	Very low	158 Å²	158	158.1 Å²	158.1	74%	0.738	80%	0.799	S	S	*	*			trans	-122.7	136.7	166.1	-71.6	176.8	-65.8	0	0	107.6
9	K	32.6	Very low	32.7	Very low	209 Å²	209	156.2 Å²	156.2	91%	0.909	80%	0.796	S	S	*	*			trans	-134.6	119.5	153.2	-81.7	-168.4	173.9	-179.5	0	109.5
10	T	30.8	Very low	32.8	Very low	116 Å²	116	155 Å²	155	71%	0.712	80%	0.799	S	S	*	*			trans	-80.9	161.2	165.1	40.5	0	0	0	0	110
11	Y	28.8	Very low	32.6	Very low	190 Å²	190	152.3 Å²	152.3	75%	0.745	80%	0.8	S	S	*	*				-173.8	152.2	114.7	-111.3	-83.9	0	0	0	113.1
12	R	29.1	Very low	32.2	Very low	201 Å²	201	145.9 Å²	145.9	76%	0.758	79%	0.785	S	S	*	*			trans	-16.5	131.3	167.5	-67.9	172.3	-175	169.2	-0.3	116.9
13	S	29.4	Very low	31.9	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	79%	0.789	S	S	*	*				79.4	116.5	50.1	80.1	0	0	0	0	115.8
14	L	29.8	Very low	31.6	Very low	176 Å²	176	139.5 Å²	139.5	92%	0.921	79%	0.786	S	S	*	*			trans	-173.7	151.3	145.6	-104.9	165.6	0	0	0	110.7
15	S	32.1	Very low	31.3	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	80%	0.803	S	S	*	*			trans	-110.2	170	175.6	-50.5	0	0	0	0	111
16	P	44.6	Very low	30.9	Very low	130 Å²	130	149.5 Å²	149.5	84%	0.844	82%	0.815	S	S	*	*				-141.4	178.1	117.4	37.6	-24.5	0	0	0	115.1
17	H	31.8	Very low	30.4	Very low	187 Å²	187	149.8 Å²	149.8	87%	0.866	82%	0.822	S	S	*	*			trans	-78.8	157.8	-174	-66.1	-93.4	0	0	0	115.4
18	A	28.3	Very low	30.2	Very low	104 Å²	104	156 Å²	156	86%	0.86	83%	0.828	S	S	*	*			trans	-146.9	142.8	137.5	0	0	0	0	0	110.4
19	T	30.5	Very low	29.8	Very low	122 Å²	122	156.8 Å²	156.8	75%	0.748	83%	0.833	S	S	*	*			trans	-107.3	161.5	175.6	-23.7	0	0	0	0	109.7
20	P	35.4	Very low	29.6	Very low	131 Å²	131	152.7 Å²	152.7	85%	0.851	83%	0.831	S	S	*	*				-140.4	165	106.5	37.7	-26.1	0	0	0	114
21	A	27.6	Very low	29.4	Very low	100 Å²	100	156 Å²	156	83%	0.826	84%	0.838	S	S	*	*			trans	-100.6	154.5	-178.9	0	0	0	0	0	112.7
22	A	27.6	Very low	29.2	Very low	102 Å²	102	151.5 Å²	151.5	84%	0.843	84%	0.84	S	S	*	*			trans	-137.4	145.1	167.5	0	0	0	0	0	110.5
23	T	27.3	Very low	29.2	Very low	147 Å²	147	145.9 Å²	145.9	90%	0.902	83%	0.832	S	S	*	*			trans	-89	140.5	-160.6	-34.1	0	0	0	0	113.7
24	A	27.6	Very low	29.1	Very low	93 Å²	93	149.6 Å²	149.6	77%	0.769	84%	0.843	S	S	*	*			trans	-76.9	142.3	176.4	0	0	0	0	0	113.1
25	R	26.8	Very low	29.2	Very low	250 Å²	250	146.5 Å²	146.5	94%	0.943	82%	0.824	S	S	*	*			trans	-140.6	93.4	164.8	-153.2	171.9	-168.5	178	3.8	111.5	K27	R25-K27 PolarHBondContact O-N 3.04Å
26	K	29.4	Very low	29.2	Very low	204 Å²	204	144.5 Å²	144.5	89%	0.887	82%	0.82	S	S	*	*			trans	-65.7	127.7	177.4	-74.2	175.3	175.3	171.4	0	111
27	K	24.6	Very low	28.2	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	82%	0.823	S	S	*	*			trans	-117.4	105.5	149.8	-99.1	-171	172.6	-175.3	0	108.1	R25	R25-K27 PolarHBondContact O-N 3.04Å
28	R	27.5	Very low	28.3	Very low	248 Å²	248	146.5 Å²	146.5	94%	0.936	81%	0.809	S	S	*	*			trans	-76.3	126.1	163.9	-99.7	-177.6	166.3	-177.9	-5.4	107.5
29	M	23.3	Very low	28.4	Very low	173 Å²	173	146.7 Å²	146.7	85%	0.852	80%	0.799	S	S	*	*			trans	-114.8	122.1	150.9	-65.8	-156.6	-54.2	0	0	107.2
30	S	29.9	Very low	28.3	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	78%	0.782	S	S	*	*			trans	-86.7	108.2	173.7	47.6	0	0	0	0	109.2
31	Q	25.2	Very low	28.2	Very low	184 Å²	184	140.3 Å²	140.3	86%	0.86	76%	0.756	S	S	*	*			trans	-91	124.6	157	-73	-172.7	-23.7	0	0	107.8
32	A	25.3	Very low	28.4	Very low	96 Å²	96	137.3 Å²	137.3	79%	0.793	73%	0.729	S	S	*	*			trans	-76.6	127	175.4	0	0	0	0	0	109.4	L34	A32-L34 PolarHBondContact O-N 3.03Å
33	S	28.6	Very low	28.8	Very low	83 Å²	83	132.9 Å²	132.9	58%	0.58	69%	0.692	S	S	*	*			trans	-81.6	114.7	173.7	48.8	0	0	0	0	110.5	H35	S33-H35 VanDerWaalsContact C-N 3.29Å; S33-H35 VanDerWaalsContact CB-NE2 3.35Å; S33-H35 WeakPolarHBondContact CB-NE2 3.37Å; S33-H35 PolarHBondContact O-N 2.97Å; S33-H35 PolarHBondContact OG-CD2 3.04Å; S33-H35 PolarHBondContact OG-NE2 3.12Å
34	L	28.3	Very low	29	Very low	177 Å²	177	128.5 Å²	128.5	93%	0.927	66%	0.663	S	S	*	*			trans	-77.4	79.2	173	-73.4	166.8	0	0	0	109.9	A32	A32-L34 PolarHBondContact O-N 3.03Å
35	H	32.2	Very low	29.4	Very low	111 Å²	111	127.3 Å²	127.3	51%	0.514	64%	0.644	S	S	.	*			trans	-79.8	147.4	173.7	-69.8	-53.5	0	0	0	112.3	S33	S33-H35 VanDerWaalsContact C-N 3.29Å; S33-H35 VanDerWaalsContact CB-NE2 3.35Å; S33-H35 WeakPolarHBondContact CB-NE2 3.37Å; S33-H35 PolarHBondContact O-N 2.97Å; S33-H35 PolarHBondContact OG-CD2 3.04Å; S33-H35 PolarHBondContact OG-NE2 3.12Å
36	G	30.8	Very low	29.7	Very low	64 Å²	64	121.7 Å²	121.7	66%	0.66	63%	0.632	S	S	*	*			trans	-76.2	131.4	-169.5	0	0	0	0	0	113.2	W38	G36-W38 PolarHBondContact O-N 3.26Å
37	K	24.9	Very low	29.8	Very low	209 Å²	209	119.7 Å²	119.7	91%	0.909	63%	0.631	S	S	*	*			trans	-66.7	111.3	166.6	-68.3	-176.5	176.9	-177.3	0	109.7
38	W	33	Very low	30	Very low	150 Å²	150	118.3 Å²	118.3	57%	0.568	63%	0.628	S	S	*	*			trans	-68.4	135.5	161.2	-61.7	101.3	0	0	0	109.2	G36 I40 W627	G36-W38 PolarHBondContact O-N 3.26Å; W38-I40 PolarHBondContact O-N 2.9Å; W38-W627 HydrophobicContact CB-CH2 4.36Å; W38-W627 AromaticContact CD1-CZ3 3.89Å
39	T	30.2	Very low	30.4	Very low	108 Å²	108	113.1 Å²	113.1	66%	0.663	62%	0.624	S	S	*	*			trans	-76.5	92.6	175.7	43.6	0	0	0	0	110	S41	T39-S41 PolarHBondContact O-N 3.37Å
40	I	29.7	Very low	30.7	Very low	75 Å²	75	112 Å²	112	39%	0.385	62%	0.621	S	S	.	*			trans	-67.2	121.9	176.6	-44	176.7	0	0	0	109.1	W38 S42 W627	W38-I40 PolarHBondContact O-N 2.9Å; I40-S42 PolarHBondContact O-N 3.21Å; I40-W627 HydrophobicContact CD1-CZ2 3.73Å; I40-W627 HydrophobicContact CG1-CZ2 3.92Å
41	S	32.5	Very low	30.7	Very low	45 Å²	45	111.2 Å²	111.2	32%	0.315	61%	0.612	S	S	.	*			trans	-80.4	61.1	166	172.4	0	0	0	0	110.7	T39 S43 F298	T39-S41 PolarHBondContact O-N 3.37Å; S41-S43 PolarHBondContact O-N 3.05Å; S41-F298 PolarHBondContact OG-O 3.21Å
42	S	31.8	Very low	31.1	Very low	36 Å²	36	109 Å²	109	25%	0.252	61%	0.614	S	S	.	*			trans	-83.3	92.5	170	50.5	0	0	0	0	109.3	I40 D44	I40-S42 PolarHBondContact O-N 3.21Å; S42-D44 PolarHBondContact O-N 3.31Å
43	S	36	Very low	31.3	Very low	9 Å²	9	110.4 Å²	110.4	6%	0.063	62%	0.618	C	S	.	*			trans	-71.8	75.5	164.2	-162.8	0	0	0	0	108.2	S41 D45 R572	S41-S43 PolarHBondContact O-N 3.05Å; S43-D45 PolarHBondContact O-N 3.14Å; S43-D45 PolarHBondContact OG-OD1 3.27Å; S43-R572 VanDerWaalsContact OG-CZ 3.28Å; S43-R572 PolarHBondContact OG-NE 3.02Å; S43-R572 PolarHBondContact OG-NH2 2.86Å
44	D	31.3	Very low	31.2	Very low	55 Å²	55	109.5 Å²	109.5	29%	0.294	62%	0.622	S	S	.	*			trans	-77.5	99.7	161	-85.1	-16.2	0	0	0	106.6	S42 K506	S42-D44 PolarHBondContact O-N 3.31Å; D44-K506 IonicContact OD1-NZ 2.73Å; D44-K506 PolarHBondContact OD1-NZ 2.88Å; D44-K506 IonicContact OD2-NZ 3.42Å; D44-K506 PolarHBondContact OD2-NZ 3.13Å
45	D	36.5	Very low	31.1	Very low	68 Å²	68	107.9 Å²	107.9	36%	0.364	62%	0.62	S	S	.	*			trans	-89.3	106.1	170.6	-43	-61	0	0	0	106.1	S43 K556 R572	S43-D45 PolarHBondContact O-N 3.14Å; S43-D45 PolarHBondContact OG-OD1 3.27Å; D45-K556 IonicContact OD2-NZ 3.8Å; D45-K556 PolarHBondContact OD2-NZ 2.86Å; D45-R572 IonicContact OD1-NH2 3.96Å; D45-R572 PolarHBondContact OD1-NH2 2.86Å
46	D	32.6	Very low	30.9	Very low	132 Å²	132	107.1 Å²	107.1	71%	0.706	63%	0.632	S	S	*	*			trans	-89.1	119.6	174.5	-74.4	-40.3	0	0	0	109.7	E48	D46-E48 PolarHBondContact O-N 3.47Å
47	D	31	Very low	30.9	Very low	162 Å²	162	110.3 Å²	110.3	87%	0.866	64%	0.639	S	S	*	*			trans	-77.5	75.2	-177.8	-74.1	-47.2	0	0	0	112	V49	D47-V49 PolarHBondContact O-N 3.02Å
48	E	30	Very low	31.1	Very low	175 Å²	175	106.4 Å²	106.4	82%	0.818	64%	0.635	S	S	*	*			trans	-73.1	124.7	170.2	-77	-146.2	140.1	0	0	112.5	D46	D46-E48 PolarHBondContact O-N 3.47Å
49	V	35	Very low	30.9	Very low	140 Å²	140	109 Å²	109	85%	0.848	65%	0.65	S	S	*	*			trans	-85.5	112	177.5	178.6	0	0	0	0	110	D47	D47-V49 PolarHBondContact O-N 3.02Å
50	L	29.8	Very low	30.8	Very low	149 Å²	149	109.2 Å²	109.2	78%	0.78	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-93.7	146.5	173.2	-73.5	172.7	0	0	0	112.5
51	P	29.2	Very low	30.7	Very low	107 Å²	107	117 Å²	117	70%	0.695	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-79.1	161.4	-168.7	32.2	-37.1	0	0	0	113.8	S53	P51-S53 PolarHBondContact O-N 3.18Å
52	P	33.3	Very low	30.6	Very low	139 Å²	139	126.1 Å²	126.1	90%	0.903	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.4	-178.1	29.8	-34.8	0	0	0	112.3
53	S	29.7	Very low	30.7	Very low	124 Å²	124	130.5 Å²	130.5	87%	0.867	74%	0.736	S	S	*	*			trans	-123.6	138.7	159.1	-174.4	0	0	0	0	108.4	P51	P51-S53 PolarHBondContact O-N 3.18Å
54	G	26.6	Very low	30.3	Very low	64 Å²	64	134 Å²	134	66%	0.66	77%	0.766	S	S	*	*			trans	-146.1	155.9	179.4	0	0	0	0	0	111.6
55	T	27.4	Very low	30.3	Very low	144 Å²	144	140.1 Å²	140.1	88%	0.883	79%	0.793	S	S	*	*			trans	-166.3	156.3	154.4	5.4	0	0	0	0	112.7
56	A	28.2	Very low	30	Very low	95 Å²	95	140.7 Å²	140.7	79%	0.785	80%	0.802	S	S	*	*			trans	43.9	110.4	151	0	0	0	0	0	120.5
57	T	29.4	Very low	30	Very low	130 Å²	130	139.2 Å²	139.2	80%	0.798	80%	0.802	S	S	*	*			trans	-93.9	149.1	149.3	51.1	0	0	0	0	110.3
58	P	30.5	Very low	30.1	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	80%	0.802	S	S	*	*			trans	-108.4	149	154.7	34.6	-27.7	0	0	0	111.7
59	K	29.1	Very low	30.1	Very low	203 Å²	203	140.2 Å²	140.2	88%	0.883	80%	0.8	S	S	*	*			trans	-110.7	141.2	176.5	-69.6	177.3	178.3	174.3	0	111.2
60	S	27.2	Very low	30	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	79%	0.793	S	S	*	*			trans	-140.1	112.5	158.6	-168.7	0	0	0	0	107
61	R	27.8	Very low	30.1	Very low	237 Å²	237	137.3 Å²	137.3	89%	0.894	80%	0.799	S	S	*	*				66.3	117.9	68.1	-76.5	-163.3	168.7	-165.3	-2.1	114.3
62	R	29.5	Very low	30	Very low	238 Å²	238	135.7 Å²	135.7	90%	0.898	80%	0.801	S	S	*	*			trans	-72	167.5	171	-66.7	179.3	173.6	176.9	-4.1	111.3
63	P	35	Very low	30	Very low	127 Å²	127	135.1 Å²	135.1	83%	0.825	80%	0.801	S	S	*	*				-132.6	-165.9	113.9	39	-30.4	0	0	0	113.2
64	A	28.2	Very low	30.5	Very low	84 Å²	84	134.8 Å²	134.8	69%	0.694	80%	0.796	S	S	*	*			trans	-150.2	-174.2	177.1	0	0	0	0	0	107.4
65	E	31	Very low	31	Very low	183 Å²	183	137.5 Å²	137.5	86%	0.855	81%	0.805	S	S	*	*			cis	-163.1	-173.1	7.2	-141.2	-178.6	-80.9	0	0	105.9
66	S	29.9	Very low	32.4	Very low	79 Å²	79	136.6 Å²	136.6	55%	0.552	80%	0.801	S	S	*	*			cis	-160.9	170.6	1.7	64.8	0	0	0	0	111.1
67	S	31.6	Very low	32.9	Very low	102 Å²	102	138 Å²	138	71%	0.713	80%	0.799	S	S	*	*			trans	73.7	159.1	151.2	90.4	0	0	0	0	117.5
68	R	33	Very low	33.9	Very low	227 Å²	227	137.9 Å²	137.9	86%	0.857	80%	0.801	S	S	*	*			cis	-165.2	166.4	-4.7	-134.6	173.7	-174.3	-172.6	1.7	111.4
69	V	29.9	Very low	34.1	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	80%	0.799	S	S	*	*			trans	73.3	148.3	157	171.5	0	0	0	0	118.1
70	S	34.4	Very low	35.2	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	80%	0.796	S	S	*	*				-175.5	150.5	-58.7	57.5	0	0	0	0	112.7
71	S	31.2	Very low	35.6	Very low	130 Å²	130	134.5 Å²	134.5	91%	0.909	79%	0.79	S	S	*	*			trans	141.2	148.5	153.7	57.3	0	0	0	0	111.3
72	G	27.4	Very low	37	Very low	72 Å²	72	129 Å²	129	74%	0.742	78%	0.784	S	S	*	*			cis	-146.4	-174.5	-1.8	0	0	0	0	0	112.6
73	S	32.6	Very low	38.1	Very low	128 Å²	128	122.8 Å²	122.8	90%	0.895	78%	0.775	S	S	*	*			trans	-116.3	154.3	-149.8	-38.7	0	0	0	0	117.8
74	P	41.1	Very low	37.7	Very low	117 Å²	117	126 Å²	126	76%	0.76	78%	0.779	S	S	*	*			trans	-121.7	152.8	159.6	39.2	-28.6	0	0	0	114.3
75	S	37.5	Very low	38	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	78%	0.784	S	S	*	*			trans	175.5	171.9	169.3	-89.8	0	0	0	0	111
76	P	55.1	Low	37.8	Very low	124 Å²	124	129.3 Å²	129.3	81%	0.805	79%	0.786	S	S	*	*			cis	-130.6	-176.2	8.6	42	-25.3	0	0	0	116.7
77	V	38.8	Very low	37.8	Very low	124 Å²	124	130 Å²	130	75%	0.752	80%	0.796	S	S	*	*			trans	-96.7	-177.4	172.8	-150.6	0	0	0	0	110.8
78	P	51.4	Low	37.9	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	80%	0.803	S	S	*	*				-145.7	170.7	103.9	39.2	-24.2	0	0	0	116.7
79	E	34.8	Very low	38.2	Very low	169 Å²	169	128.6 Å²	128.6	79%	0.79	80%	0.798	S	S	*	*			trans	-134.7	163.2	-179	-167.3	-172.9	-116.1	0	0	109.7
80	P	51.1	Low	38.2	Very low	125 Å²	125	130 Å²	130	81%	0.812	80%	0.801	S	S	*	*				-148.1	170.8	123.8	36.6	-19.5	0	0	0	116.3
81	A	35.6	Very low	38.1	Very low	81 Å²	81	130.3 Å²	130.3	67%	0.669	80%	0.803	S	S	*	*			trans	-138.2	-154.8	-176.8	0	0	0	0	0	110.9
82	P	57.4	Low	38.6	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	80%	0.796	S	S	*	*			cis	-117.8	-110.8	-32.3	36	-19.1	0	0	0	111.8
83	P	52.3	Low	39.3	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	80%	0.799	S	S	*	*				-118.2	170.9	-73.6	39.9	-26.1	0	0	0	115.7
84	E	27.2	Very low	39.1	Very low	193 Å²	193	131.9 Å²	131.9	90%	0.902	79%	0.791	S	S	*	*			trans	-168.9	169.3	138	-115	-176.2	-175	0	0	114.3
85	V	34.5	Very low	38.4	Very low	133 Å²	133	136.6 Å²	136.6	81%	0.806	80%	0.8	S	S	*	*			trans	-153.1	151	-166.9	-175	0	0	0	0	113.4
86	K	27.6	Very low	37.9	Very low	204 Å²	204	134.8 Å²	134.8	89%	0.887	79%	0.793	S	S	*	*			trans	107.8	152.2	170.6	-71.4	-174.8	176.6	-178.8	0	115.2
87	A	29.6	Very low	36.4	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	80%	0.801	S	S	*	*			cis	-156.6	-179.9	-7.6	0	0	0	0	0	111.2
88	E	32.8	Very low	35.8	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	80%	0.803	S	S	*	*			trans	-69.4	169.6	169	-59.8	-177.3	131.4	0	0	113
89	P	40.8	Very low	34.7	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	81%	0.805	S	S	*	*				-150.9	154.4	105.6	39.5	-23.5	0	0	0	118.4
90	D	30.1	Very low	34.2	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	80%	0.8	S	S	*	*			trans	35.8	129.9	139.4	-58	-37.8	0	0	0	124.6
91	S	31.1	Very low	33	Very low	106 Å²	106	131.2 Å²	131.2	74%	0.741	80%	0.796	S	S	*	*			trans	-91.6	152	145.6	67.7	0	0	0	0	110
92	P	43	Very low	32.6	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	81%	0.807	S	S	*	*				-149.9	-154.7	69.9	41.6	-18.7	0	0	0	110.9
93	P	40.4	Very low	31.1	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	81%	0.809	S	S	*	*			cis	-135.1	-175.1	2.9	43.9	-24.1	0	0	0	117.9
94	V	29.4	Very low	30	Very low	121 Å²	121	141.7 Å²	141.7	73%	0.733	82%	0.817	S	S	*	*			trans	-77.5	147.1	-172.1	177.6	0	0	0	0	113.3
95	F	26.6	Very low	29.9	Very low	216 Å²	216	141.8 Å²	141.8	95%	0.947	82%	0.818	S	S	*	*			trans	-129.6	141.4	143	-105.7	-84.5	0	0	0	110.4
96	A	25.5	Very low	29.6	Very low	84 Å²	84	141 Å²	141	69%	0.694	82%	0.819	S	S	*	*			trans	-119.7	141.9	179.5	0	0	0	0	0	110.5
97	L	25.4	Very low	29.5	Very low	185 Å²	185	136.1 Å²	136.1	97%	0.969	82%	0.816	S	S	*	*			trans	-138.6	136.2	164	-94.5	172	0	0	0	108.8
98	A	25.6	Very low	29.4	Very low	97 Å²	97	138.1 Å²	138.1	80%	0.802	82%	0.818	S	S	*	*			trans	-133.7	122.9	-175.4	0	0	0	0	0	111.3
99	V	27.7	Very low	29.1	Very low	144 Å²	144	140 Å²	140	87%	0.873	82%	0.817	S	S	*	*			trans	-145.4	120.8	161.5	-168.6	0	0	0	0	102.2
100	G	24.8	Very low	28.4	Very low	65 Å²	65	141 Å²	141	67%	0.67	82%	0.817	S	S	*	*				84.9	133.2	56.3	0	0	0	0	0	108.9
101	S	26.3	Very low	28.4	Very low	104 Å²	104	139 Å²	139	73%	0.727	81%	0.813	S	S	*	*			cis	-178.6	149	-10.8	35.7	0	0	0	0	107.3
102	E	26.8	Very low	28.2	Very low	195 Å²	195	140.7 Å²	140.7	91%	0.911	82%	0.818	S	S	*	*			trans	66.5	162	170	-56.3	-178.8	145.9	0	0	115.5
103	A	26.4	Very low	27.3	Very low	98 Å²	98	143.9 Å²	143.9	81%	0.81	82%	0.82	S	S	*	*			cis	-132.5	159.1	6.2	0	0	0	0	0	113.5
104	R	27.8	Very low	26.7	Very low	236 Å²	236	147.9 Å²	147.9	89%	0.891	83%	0.825	S	S	*	*			trans	-107.8	174.3	164.1	-103	-177.1	171.6	-176.7	-1.6	109.1
105	Q	26.3	Very low	26.5	Very low	195 Å²	195	150.6 Å²	150.6	91%	0.911	83%	0.83	S	S	*	*			trans	81.8	143	179.2	-45.5	177.2	30.5	0	0	112.6
106	S	27	Very low	26.5	Very low	118 Å²	118	146.8 Å²	146.8	83%	0.825	82%	0.824	S	S	*	*			cis	-144.6	144.3	20.3	55.5	0	0	0	0	114.1
107	A	25.8	Very low	26.6	Very low	100 Å²	100	148 Å²	148	83%	0.826	83%	0.828	S	S	*	*			trans	-168.2	117.3	155.5	0	0	0	0	0	108.9
108	V	27.8	Very low	26.8	Very low	136 Å²	136	144.6 Å²	144.6	82%	0.824	82%	0.817	S	S	*	*			trans	-144.9	145.8	-179.8	158.6	0	0	0	0	108.5
109	R	27.3	Very low	26.8	Very low	223 Å²	223	145.6 Å²	145.6	84%	0.842	82%	0.818	S	S	*	*			trans	74.3	140.9	-174.5	-71.2	174.3	176.9	176.6	-2.1	114.7
110	N	25.2	Very low	26.8	Very low	137 Å²	137	146.8 Å²	146.8	73%	0.733	82%	0.819	S	S	*	*			cis	-133.9	145.5	-0.2	-82.6	-45.7	0	0	0	111.3
111	P	29.6	Very low	26.9	Very low	119 Å²	119	149.9 Å²	149.9	77%	0.773	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.9	138.1	164.5	33.5	-31.8	0	0	0	111.2
112	V	27.9	Very low	26.9	Very low	141 Å²	141	148.6 Å²	148.6	86%	0.855	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-87.1	134.9	169.7	-178.9	0	0	0	0	109
113	K	24.9	Very low	27	Very low	183 Å²	183	149.2 Å²	149.2	80%	0.796	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.7	179.7	-64	177.1	179.1	177.9	0	110.9
114	F	27.7	Very low	27	Very low	208 Å²	208	156 Å²	156	91%	0.912	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79.8	127.7	149.3	-89.5	-98.6	0	0	0	108.2	T116	F114-T116 PolarHBondContact O-N 3.42Å
115	E	24.5	Very low	26.9	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	84%	0.838	S	S	*	*			trans	-84.2	105.6	172.2	-66.8	-165.8	144.6	0	0	110.1
116	T	27.2	Very low	26.8	Very low	136 Å²	136	154.7 Å²	154.7	83%	0.834	84%	0.835	S	S	*	*			trans	-83.1	143.8	156.6	44.7	0	0	0	0	109.2	F114	F114-T116 PolarHBondContact O-N 3.42Å
117	S	26	Very low	26.7	Very low	111 Å²	111	158.1 Å²	158.1	78%	0.776	84%	0.838	S	S	*	*			trans	-136.8	152	173.7	-87.3	0	0	0	0	110.4
118	P	29.8	Very low	27.1	Very low	112 Å²	112	159.2 Å²	159.2	73%	0.727	84%	0.837	S	S	*	*			trans	-93.2	158.9	-133.9	33	-37.3	0	0	0	115.1
119	S	26.1	Very low	27	Very low	119 Å²	119	158.4 Å²	158.4	83%	0.832	84%	0.838	S	S	*	*			trans	-66.8	137.2	165	44.5	0	0	0	0	111.4
120	L	28.2	Very low	26.9	Very low	169 Å²	169	155.8 Å²	155.8	89%	0.885	84%	0.84	S	S	*	*			trans	-119.8	117.6	169	-76.1	174.1	0	0	0	109.7
121	S	27.1	Very low	26.9	Very low	129 Å²	129	152.9 Å²	152.9	90%	0.902	84%	0.842	S	S	*	*			trans	-90.4	103	-178.8	42.8	0	0	0	0	111.3
122	G	26.1	Very low	26.9	Very low	78 Å²	78	153.3 Å²	153.3	80%	0.804	85%	0.848	S	S	*	*			trans	-117.1	105.5	179.3	0	0	0	0	0	113.3
123	K	28.6	Very low	26.6	Very low	208 Å²	208	149.5 Å²	149.5	90%	0.904	84%	0.838	S	S	*	*			trans	-82	121.7	171.2	-71	-179.9	177.3	177.9	0	111
124	R	26.4	Very low	26.6	Very low	241 Å²	241	152.3 Å²	152.3	91%	0.909	84%	0.844	S	S	*	*			trans	-169.7	131.9	142.3	-110.6	163	-174.3	-169.9	1	115.4
125	K	25.1	Very low	26.3	Very low	204 Å²	204	147 Å²	147	89%	0.887	84%	0.838	S	S	*	*			trans	50.7	129	154.4	-70.2	-165.2	169.4	-164.5	0	121.6
126	K	25.1	Very low	26.3	Very low	198 Å²	198	145.8 Å²	145.8	86%	0.861	84%	0.836	S	S	*	*			trans	-67.2	155	152.1	-66.6	178.7	170	-176	0	110.7
127	E	25.2	Very low	26.2	Very low	190 Å²	190	144.9 Å²	144.9	89%	0.888	84%	0.835	S	S	*	*				-165.6	169.7	103.8	-100.6	-176.2	-168.7	0	0	110.6
128	P	33.3	Very low	26	Very low	124 Å²	124	147.1 Å²	147.1	81%	0.805	84%	0.839	S	S	*	*			trans	-102.1	171.5	-142.4	39.9	-39.2	0	0	0	116.6
129	S	25	Very low	25.8	Very low	119 Å²	119	147 Å²	147	83%	0.832	84%	0.841	S	S	*	*			trans	-147.1	143.3	154.2	-179.1	0	0	0	0	108.7
130	D	26.1	Very low	25.8	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	84%	0.84	S	S	*	*			trans	-71.3	157.4	-174	-64.5	-71.1	0	0	0	114.7
131	G	25.2	Very low	25.8	Very low	75 Å²	75	147.1 Å²	147.1	77%	0.773	83%	0.833	S	S	*	*			trans	173.9	52.3	-179.1	0	0	0	0	0	114.2
132	S	28.6	Very low	25.9	Very low	128 Å²	128	149.4 Å²	149.4	90%	0.895	83%	0.829	S	S	*	*			trans	-25	126.2	179.9	56.6	0	0	0	0	117
133	G	21.9	Very low	25.9	Very low	62 Å²	62	152.7 Å²	152.7	64%	0.639	83%	0.828	S	S	*	*			trans	-151.2	159.3	169.4	0	0	0	0	0	112.7
134	W	24.7	Very low	25.8	Very low	242 Å²	242	150.3 Å²	150.3	92%	0.917	83%	0.826	S	S	*	*			trans	78.3	95.2	174.7	-52.7	100.8	0	0	0	118.7
135	A	22.8	Very low	25.9	Very low	96 Å²	96	142.8 Å²	142.8	79%	0.793	82%	0.815	S	S	*	*			trans	-145	131.2	138.9	0	0	0	0	0	104.9
136	L	24.4	Very low	26	Very low	152 Å²	152	142.8 Å²	142.8	80%	0.796	82%	0.818	S	S	*	*			cis	63.9	93.6	17.3	-58.5	-176.3	0	0	0	114.7
137	S	23.8	Very low	26	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	81%	0.811	S	S	*	*			trans	-156.3	119.7	160.1	-141.3	0	0	0	0	102.5
138	D	23	Very low	26.1	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	81%	0.811	S	S	*	*			cis	63.2	119.5	23.6	-117	33.3	0	0	0	112.1
139	S	24.9	Very low	25.7	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	82%	0.815	S	S	*	*			trans	-171.5	110.5	-169.6	166.4	0	0	0	0	108.6
140	D	25.8	Very low	25.7	Very low	153 Å²	153	142.3 Å²	142.3	82%	0.818	81%	0.813	S	S	*	*			trans	-146.8	129.2	151.8	-82.6	-35.1	0	0	0	107.9
141	D	29.5	Very low	25.8	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	80%	0.802	S	S	*	*			trans	54.2	113.4	148	-55.5	-14.8	0	0	0	125
142	E	29.1	Very low	26	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	81%	0.806	S	S	*	*				80.5	155.5	124	-62.8	-164.3	142.3	0	0	125
143	D	26.4	Very low	25.9	Very low	147 Å²	147	144 Å²	144	79%	0.786	81%	0.805	S	S	*	*			trans	74.6	94.9	162.3	-71.9	-4.2	0	0	0	125
144	D	26.3	Very low	26.2	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	81%	0.811	S	S	*	*				97.1	163.7	110.2	-147	11.2	0	0	0	121.7
145	A	27.8	Very low	26.3	Very low	82 Å²	82	144.7 Å²	144.7	68%	0.678	80%	0.803	S	S	*	*			trans	81.5	100.3	169.5	0	0	0	0	0	121.1
146	E	26.5	Very low	27	Very low	204 Å²	204	145.9 Å²	145.9	95%	0.953	80%	0.803	S	S	*	*			trans	28.4	139.8	140.2	-55.8	-159.5	130.2	0	0	123.8
147	G	25	Very low	27.3	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	80%	0.803	S	S	*	*			trans	151.7	99.2	131.8	0	0	0	0	0	121.7
148	K	27	Very low	27.5	Very low	202 Å²	202	151.8 Å²	151.8	88%	0.878	81%	0.808	S	S	*	*			trans	55.7	104.4	141.5	-63.7	168.5	-175.9	161.8	0	121.3
149	R	25.7	Very low	27.8	Very low	239 Å²	239	153.3 Å²	153.3	90%	0.902	81%	0.81	S	S	*	*				24	133	126.2	-58.2	176.7	178.8	177.9	-0.5	119.4
150	S	25.4	Very low	28	Very low	111 Å²	111	152.7 Å²	152.7	78%	0.776	81%	0.811	S	S	*	*				177.2	155.4	97.9	51.2	0	0	0	0	116.5
151	S	27.3	Very low	28.3	Very low	96 Å²	96	151.5 Å²	151.5	67%	0.671	81%	0.812	S	S	*	*			trans	13.5	120.3	156.2	46.6	0	0	0	0	120.6
152	Q	29.1	Very low	28.2	Very low	184 Å²	184	153.2 Å²	153.2	86%	0.86	82%	0.821	S	S	*	*				64.6	121.8	80.9	-71.7	-171.4	6.1	0	0	117
153	S	27.3	Very low	28.3	Very low	125 Å²	125	148.3 Å²	148.3	87%	0.874	82%	0.818	S	S	*	*			trans	-148.2	168.2	134.9	61.3	0	0	0	0	109.4
154	K	28.5	Very low	28.4	Very low	175 Å²	175	150.4 Å²	150.4	76%	0.761	82%	0.823	S	S	*	*			trans	-140	143.8	-163.9	-91.4	-176.2	175.5	179.3	0	113.4
155	L	26.6	Very low	28.7	Very low	144 Å²	144	147.8 Å²	147.8	75%	0.754	82%	0.823	S	S	*	*			trans	68.3	167.2	146.2	-70.9	170.5	0	0	0	116.9
156	P	38.5	Very low	28.7	Very low	121 Å²	121	153.7 Å²	153.7	79%	0.786	83%	0.833	S	S	*	*			cis	-122.6	169.1	7.5	40.7	-27	0	0	0	117.3
157	N	29.2	Very low	28.9	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	83%	0.826	S	S	*	*			trans	-61.9	157.4	167.7	-87.5	-11.4	0	0	0	112.7
158	R	29.1	Very low	29	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	83%	0.83	S	S	*	*			trans	-143.7	153.2	148	-132.8	172.9	178.5	174.2	-1.5	110.5
159	E	27.9	Very low	29	Very low	191 Å²	191	155.2 Å²	155.2	89%	0.893	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.7	163.1	-159.9	-65.3	154.2	120.4	0	0	114.5
160	A	30.1	Very low	29.2	Very low	96 Å²	96	150.2 Å²	150.2	79%	0.793	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-95.5	140.2	-178.6	0	0	0	0	0	112.6
161	P	30.8	Very low	29.4	Very low	128 Å²	128	153.2 Å²	153.2	83%	0.831	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.8	155.7	163.4	34.1	-32.3	0	0	0	111.8
162	N	29.2	Very low	29.7	Very low	174 Å²	174	154.3 Å²	154.3	93%	0.93	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-74.9	147.2	-174.3	-95.9	-37.8	0	0	0	115
163	G	29.4	Very low	30	Very low	73 Å²	73	151.8 Å²	151.8	75%	0.753	82%	0.823	S	S	*	*				83	78.3	119.8	0	0	0	0	0	119.8
164	E	29	Very low	30.3	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	81%	0.813	S	S	*	*			trans	-124.7	132.9	143.3	-78.8	-158.8	141.1	0	0	110.7	K166	E164-K166 PolarHBondContact O-N 2.95Å
165	A	33.2	Very low	30.3	Very low	104 Å²	104	150.9 Å²	150.9	86%	0.86	81%	0.809	S	S	*	*			trans	-75.1	95.1	-177.3	0	0	0	0	0	111.3	K167	A165-K167 PolarHBondContact O-N 3Å
166	K	27.7	Very low	30.9	Very low	206 Å²	206	146.8 Å²	146.8	90%	0.896	79%	0.791	S	S	*	*			trans	-62.5	108.9	171.4	-73.1	178.6	179.8	170.9	0	109.7	E164	E164-K166 PolarHBondContact O-N 2.95Å
167	K	30	Very low	31	Very low	185 Å²	185	142.4 Å²	142.4	80%	0.804	76%	0.764	S	S	*	*			trans	-47.5	142.6	169.2	-67.8	178.4	178.4	177.6	0	109.7	A165 K169	A165-K167 PolarHBondContact O-N 3Å; K167-K169 PolarHBondContact O-N 3.11Å; K167-K169 VanDerWaalsContact O-N 3.12Å
168	P	28.5	Very low	31.6	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	76%	0.76	S	S	*	*			trans	-54.9	123.7	-179.9	23	-33.3	0	0	0	109.5	V170	P168-V170 PolarHBondContact O-N 3.21Å
169	K	25.4	Very low	32.3	Very low	200 Å²	200	132.7 Å²	132.7	87%	0.87	73%	0.733	S	S	*	*			trans	-70.5	99.2	-179.9	-171.9	-175.7	-176.4	-171.6	0	106.9	K167 E171	K167-K169 PolarHBondContact O-N 3.11Å; K167-K169 VanDerWaalsContact O-N 3.12Å; K169-E171 PolarHBondContact O-N 3.33Å
170	V	30.5	Very low	33	Very low	134 Å²	134	124.8 Å²	124.8	81%	0.812	70%	0.703	S	S	*	*			trans	-48.8	116.7	179.4	177.7	0	0	0	0	108.5	P168 S172	P168-V170 PolarHBondContact O-N 3.21Å; V170-S172 PolarHBondContact O-N 3.16Å
171	E	30.9	Very low	33.4	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	70%	0.701	S	S	*	*			trans	-62.1	125.2	174.1	-65.3	-170.9	122.8	0	0	107.9	K169 E173	K169-E171 PolarHBondContact O-N 3.33Å; E171-E173 VanDerWaalsContact C-N 3.26Å; E171-E173 PolarHBondContact O-N 3.39Å
172	S	33.2	Very low	34.4	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	70%	0.703	S	S	*	*			trans	-72.7	87.7	176.3	56.2	0	0	0	0	108.6	V170 R174	V170-S172 PolarHBondContact O-N 3.16Å; S172-R174 PolarHBondContact O-N 3.19Å
173	E	34.8	Very low	36.2	Very low	132 Å²	132	125 Å²	125	62%	0.617	67%	0.666	S	S	*	*			trans	-43.7	137.5	165.8	-70.1	-172.5	138.1	0	0	109.2	E171 R181	E171-E173 VanDerWaalsContact C-N 3.26Å; E171-E173 PolarHBondContact O-N 3.39Å; E173-R181 IonicContact OE1-NH2 2.66Å; E173-R181 IonicContact OE2-CZ 3.38Å; E173-R181 IonicContact OE2-NH2 3.23Å; E173-R181 PolarHBondContact OE2-NH2 3.1Å
174	R	33.3	Very low	38.4	Very low	174 Å²	174	124.2 Å²	124.2	66%	0.657	64%	0.641	S	S	*	*			trans	-53.7	128	167.1	-96.1	172.8	151.9	-170	-10.9	108.2	S172 P176	S172-R174 PolarHBondContact O-N 3.19Å; R174-P176 WeakPolarHBondContact O-CD 3.46Å
175	P	28.3	Very low	40.8	Very low	106 Å²	106	121 Å²	121	69%	0.688	62%	0.624	S	S	*	*			trans	-60.7	125.4	179.4	23.6	-32.7	0	0	0	109.6	S177	P175-S177 PolarHBondContact O-N 3.25Å; P175-S177 VanDerWaalsContact O-N 3.16Å
176	P	39.6	Very low	42.7	Very low	58 Å²	58	123 Å²	123	38%	0.377	62%	0.62	S	S	.	*	S	Bend	trans	-73.4	109.3	177.2	28.5	-32	0	0	0	108.5	R174 G180 R181	R174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-G180 CarbonylContact O-C 3.52Å; P176-G180 VanDerWaalsContact O-CA 3.26Å; P176-G180 WeakPolarHBondContact O-CA 3.46Å; P176-G180 PolarHBondContact O-N 3.3Å; P176-R181 HydrophobicContact CG-CG 3.93Å
177	S	41.6	Very low	45.3	Very low	30 Å²	30	115 Å²	115	21%	0.21	59%	0.585	C	S	.	*	S	Bend	trans	63.8	158.9	-170.7	152.4	0	0	0	0	113.6	P175 H179 G180	P175-S177 PolarHBondContact O-N 3.25Å; P175-S177 VanDerWaalsContact O-N 3.16Å; S177-H179 PolarHBondContact O-N 3.45Å; S177-H179 PolarHBondContact OG-CD2 3.08Å; S177-H179 PolarHBondContact OG-N 2.96Å; S177-H179 VanDerWaalsContact OG-N 3.17Å; S177-G180 PolarHBondContact O-N 3Å
178	P	40.6	Very low	47.5	Very low	111 Å²	111	109.5 Å²	109.5	72%	0.721	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-16.6	169.4	-24.4	34.9	0	0	0	114.4
179	H	45.3	Very low	49.5	Very low	78 Å²	78	111.1 Å²	111.1	36%	0.361	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	1.8	-172.7	-52.3	-84.1	0	0	0	114	S177 Y183 P492	S177-H179 PolarHBondContact O-N 3.45Å; S177-H179 PolarHBondContact OG-CD2 3.08Å; S177-H179 PolarHBondContact OG-N 2.96Å; S177-H179 VanDerWaalsContact OG-N 3.17Å; H179-Y183 HydrophobicContact CB-CD2 3.82Å; H179-Y183 HydrophobicContact CB-CG 4.37Å; H179-Y183 AromaticContact CD2-CD2 3.52Å; H179-Y183 AromaticContact CD2-CE2 3.69Å; H179-Y183 AromaticContact CG-CD2 3.81Å; H179-P492 WeakPolarHBondContact NE2-CG 3.47Å
180	G	41.3	Very low	51.7	Low	25 Å²	25	104.4 Å²	104.4	26%	0.258	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	70	-163.8	177.3	0	0	0	0	0	114.8	P176 S177 L182 Y183	P176-G180 CarbonylContact O-C 3.52Å; P176-G180 VanDerWaalsContact O-CA 3.26Å; P176-G180 WeakPolarHBondContact O-CA 3.46Å; P176-G180 PolarHBondContact O-N 3.3Å; S177-G180 PolarHBondContact O-N 3Å; G180-L182 PolarHBondContact O-N 3.39Å; G180-Y183 PolarHBondContact O-N 3.15Å
181	R	38.2	Very low	54.1	Low	199 Å²	199	99.1 Å²	99.1	75%	0.751	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-64.2	-4	-165.8	-69.3	-172.8	176.6	-159.6	-0.8	116.1	E173 P176	E173-R181 IonicContact OE1-NH2 2.66Å; E173-R181 IonicContact OE2-CZ 3.38Å; E173-R181 IonicContact OE2-NH2 3.23Å; E173-R181 PolarHBondContact OE2-NH2 3.1Å; P176-R181 HydrophobicContact CG-CG 3.93Å
182	L	53.6	Low	56.3	Low	168 Å²	168	93.1 Å²	93.1	88%	0.88	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-106.6	1.4	-178.6	-71.5	168.4	0	0	0	114.7	G180 Y184	G180-L182 PolarHBondContact O-N 3.39Å; L182-Y184 PolarHBondContact O-N 3.37Å
183	Y	65.7	Low	58	Low	36 Å²	36	92.6 Å²	92.6	14%	0.141	47%	0.466	C	S	.	.	S	Bend	trans	-65.2	-38.3	-177.2	-176.9	-102.1	0	0	0	114.1	H179 G180 Y329 E489 P492	H179-Y183 HydrophobicContact CB-CD2 3.82Å; H179-Y183 HydrophobicContact CB-CG 4.37Å; H179-Y183 AromaticContact CD2-CD2 3.52Å; H179-Y183 AromaticContact CD2-CE2 3.69Å; H179-Y183 AromaticContact CG-CD2 3.81Å; G180-Y183 PolarHBondContact O-N 3.15Å; Y183-Y329 HydrophobicContact CE1-CE1 4.41Å; Y183-E489 PolarHBondContact OH-OE1 2.94Å; Y183-P492 HydrophobicContact CE2-CB 4.3Å; Y183-P492 HydrophobicContact CE2-CG 4.45Å
184	Y	76	Confident	59.2	Low	57 Å²	57	88.7 Å²	88.7	22%	0.224	45%	0.452	C	S	.	.	S	Bend	trans	-93.4	127.2	-177.9	-61.6	-78.8	0	0	0	109.8	L182 R325 Y329	L182-Y184 PolarHBondContact O-N 3.37Å; Y184-R325 HydrophobicContact CD1-CG 4.06Å; Y184-R325 HydrophobicContact CE1-CB 4.06Å; Y184-R325 HydrophobicContact CE1-CG 3.73Å; Y184-Y329 AromaticContact CD1-CD1 3.75Å; Y184-Y329 HydrophobicContact CD1-CD1 3.75Å; Y184-Y329 AromaticContact CD1-CD2 3.94Å; Y184-Y329 HydrophobicContact CD1-CD2 3.94Å; Y184-Y329 AromaticContact CD1-CE1 3.85Å; Y184-Y329 HydrophobicContact CD1-CE1 3.85Å; Y184-Y329 HydrophobicContact CD1-CE2 4.03Å; Y184-Y329 AromaticContact CD1-CG 3.81Å; Y184-Y329 HydrophobicContact CD1-CG 3.81Å; Y184-Y329 AromaticContact CE1-CD1 3.93Å; Y184-Y329 HydrophobicContact CE1-CD1 3.93Å; Y184-Y329 HydrophobicContact CE1-CE1 4.38Å; Y184-Y329 HydrophobicContact CE1-CG 4.07Å
185	K	78.3	Confident	60.4	Low	123 Å²	123	82.5 Å²	82.5	54%	0.535	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-69	144.2	162.8	-61.9	175.2	-175.3	-179.7	0	108	R325 Y329	K185-R325 PolarHBondContact O-NH2 3.18Å; K185-Y329 PolarHBondContact N-OH 2.92Å
186	D	74.8	Confident	61.9	Low	145 Å²	145	82.9 Å²	82.9	78%	0.775	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-69.5	132.6	170.1	-64.8	-51	0	0	0	109.3
187	E	80.9	Confident	62.9	Low	37 Å²	37	80.7 Å²	80.7	17%	0.173	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-73.1	130.7	170.4	-76.3	92.2	-154.4	0	0	108.8	F191 F192 T211 R325 Y329	E187-F191 HydrophobicContact CB-CB 4.19Å; E187-F191 HydrophobicContact CB-CD1 3.98Å; E187-F191 HydrophobicContact CB-CG 4.17Å; E187-F191 HydrophobicContact CG-CD1 3.64Å; E187-F191 HydrophobicContact CG-CE1 3.75Å; E187-F191 HydrophobicContact CG-CG 4.1Å; E187-F191 HydrophobicContact CG-CZ 4.3Å; E187-F192 HydrophobicContact CB-CE2 3.62Å; E187-F192 HydrophobicContact CB-CZ 3.83Å; E187-F192 HydrophobicContact CG-CE2 4.27Å; E187-F192 HydrophobicContact CG-CZ 3.94Å; E187-T211 HydrophobicContact CG-CG2 3.93Å; E187-T211 WeakPolarHBondContact CG-OG1 3.44Å; E187-T211 PolarHBondContact OE1-OG1 2.81Å; E187-R325 IonicContact OE1-NH2 3.88Å; E187-R325 PolarHBondContact OE1-NH2 3.28Å; E187-R325 IonicContact OE2-CZ 3.66Å; E187-R325 IonicContact OE2-NE 3.66Å; E187-R325 IonicContact OE2-NH2 3.77Å; E187-R325 PolarHBondContact OE2-NH2 3.15Å; E187-Y329 WeakPolarHBondContact OE1-CD2 3.4Å
188	P	76.3	Confident	63.6	Low	71 Å²	71	83.4 Å²	83.4	46%	0.461	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66.1	155.8	174.6	29.8	-34.9	0	0	0	110.5	D190 F191	P188-D190 WeakPolarHBondContact CG-OD1 3.33Å; P188-D190 PolarHBondContact O-N 2.88Å; P188-D190 VanDerWaalsContact O-N 3.16Å; P188-F191 HydrophobicContact CG-CB 4.14Å; P188-F191 WeakPolarHBondContact O-CB 3.37Å; P188-F191 PolarHBondContact O-N 2.83Å
189	D	70.4	Confident	64.4	Low	157 Å²	157	83.1 Å²	83.1	84%	0.84	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-57.4	-35.4	-175.2	-59.8	-57.5	0	0	0	112.5	F191 F192	D189-F191 PolarHBondContact O-N 2.76Å; D189-F192 PolarHBondContact O-N 2.7Å
190	D	72.3	Confident	65.2	Low	58 Å²	58	85.8 Å²	85.8	31%	0.31	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-70.2	-11	177.7	85.4	-46.3	0	0	0	114.5	P188 F192 E193 R215	P188-D190 WeakPolarHBondContact CG-OD1 3.33Å; P188-D190 PolarHBondContact O-N 2.88Å; P188-D190 VanDerWaalsContact O-N 3.16Å; D190-F192 VanDerWaalsContact C-N 3.27Å; D190-F192 PolarHBondContact O-N 3.32Å; D190-E193 HydrophobicContact CB-CG 4.38Å; D190-E193 WeakPolarHBondContact O-CB 3.37Å; D190-E193 PolarHBondContact O-N 3.26Å; D190-R215 IonicContact OD2-CZ 2.95Å; D190-R215 IonicContact OD2-NE 2.71Å; D190-R215 IonicContact OD2-NH1 3.24Å; D190-R215 PolarHBondContact OD2-NH1 2.8Å
191	F	80.5	Confident	67.1	Low	24 Å²	24	86.4 Å²	86.4	11%	0.105	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-68	-29.2	173.8	-171.5	-95.5	0	0	0	112.2	E187 P188 D189 K209 T211	E187-F191 HydrophobicContact CB-CB 4.19Å; E187-F191 HydrophobicContact CB-CD1 3.98Å; E187-F191 HydrophobicContact CB-CG 4.17Å; E187-F191 HydrophobicContact CG-CD1 3.64Å; E187-F191 HydrophobicContact CG-CE1 3.75Å; E187-F191 HydrophobicContact CG-CG 4.1Å; E187-F191 HydrophobicContact CG-CZ 4.3Å; P188-F191 HydrophobicContact CG-CB 4.14Å; P188-F191 WeakPolarHBondContact O-CB 3.37Å; P188-F191 PolarHBondContact O-N 2.83Å; D189-F191 PolarHBondContact O-N 2.76Å; F191-K209 HydrophobicContact CD1-CD 4.49Å; F191-K209 HydrophobicContact CE1-CB 3.95Å; F191-K209 HydrophobicContact CE1-CD 4.29Å; F191-K209 HydrophobicContact CE2-CB 4.33Å; F191-K209 HydrophobicContact CZ-CB 3.64Å; F191-K209 WeakPolarHBondContact O-CD 3.38Å; F191-K209 PolarHBondContact O-NZ 2.93Å; F191-T211 WeakPolarHBondContact CZ-OG1 3.45Å
192	F	78.4	Confident	69.4	Low	49 Å²	49	80.7 Å²	80.7	22%	0.215	42%	0.423	C	S	.	.	S	Bend	trans	-97.6	0	176.3	-56.6	-67.1	0	0	0	113.2	E187 D189 D190 T194 H223 R225	E187-F192 HydrophobicContact CB-CE2 3.62Å; E187-F192 HydrophobicContact CB-CZ 3.83Å; E187-F192 HydrophobicContact CG-CE2 4.27Å; E187-F192 HydrophobicContact CG-CZ 3.94Å; D189-F192 PolarHBondContact O-N 2.7Å; D190-F192 VanDerWaalsContact C-N 3.27Å; D190-F192 PolarHBondContact O-N 3.32Å; F192-T194 PolarHBondContact O-N 3.33Å; F192-H223 AromaticContact CE1-CE1 3.85Å; F192-H223 AromaticContact CE1-ND1 3.56Å; F192-R225 VanDerWaalsContact CZ-NH1 3.33Å
193	E	68.4	Low	71.3	Confident	106 Å²	106	73.1 Å²	73.1	50%	0.495	38%	0.383	S	S	.	.	S	Bend	trans	-58.7	129.6	164.5	-76.4	173.7	-177.9	0	0	109.4	D190 S195 K209 R215	D190-E193 HydrophobicContact CB-CG 4.38Å; D190-E193 WeakPolarHBondContact O-CB 3.37Å; D190-E193 PolarHBondContact O-N 3.26Å; E193-S195 PolarHBondContact O-N 3.05Å; E193-K209 PolarHBondContact O-NZ 2.86Å; E193-R215 IonicContact OE2-CZ 3.55Å; E193-R215 IonicContact OE2-NH1 2.76Å; E193-R215 IonicContact OE2-NH2 3.57Å; E193-R215 PolarHBondContact OE2-NH2 3.01Å
194	T	58.9	Low	72.6	Confident	51 Å²	51	73.5 Å²	73.5	31%	0.313	38%	0.384	S	S	.	.			trans	-77.3	87.3	-176.9	45.3	0	0	0	0	110.6	F192 F196 L231	F192-T194 PolarHBondContact O-N 3.33Å; T194-F196 WeakPolarHBondContact O-CD2 3.34Å; T194-F196 PolarHBondContact O-N 2.81Å; T194-F196 VanDerWaalsContact OG1-CE2 3.29Å; T194-F196 WeakPolarHBondContact OG1-CE2 3.17Å; T194-F196 WeakPolarHBondContact OG1-CZ 3.36Å; T194-L231 HydrophobicContact CG2-CD1 4.24Å
195	S	59.3	Low	73.5	Confident	43 Å²	43	71.1 Å²	71.1	30%	0.301	38%	0.375	S	S	.	.			trans	-64	76.9	152.5	-63.5	0	0	0	0	108.7	E193	E193-S195 PolarHBondContact O-N 3.05Å
196	F	58.9	Low	74.3	Confident	115 Å²	115	66 Å²	66	50%	0.504	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-50.3	127.3	-174.2	-69.2	-90	0	0	0	111.1	T194 L231	T194-F196 WeakPolarHBondContact O-CD2 3.34Å; T194-F196 PolarHBondContact O-N 2.81Å; T194-F196 VanDerWaalsContact OG1-CE2 3.29Å; T194-F196 WeakPolarHBondContact OG1-CE2 3.17Å; T194-F196 WeakPolarHBondContact OG1-CZ 3.36Å; F196-L231 HydrophobicContact CE1-CB 4.1Å; F196-L231 HydrophobicContact CE1-CD1 3.69Å; F196-L231 HydrophobicContact CE1-CD2 4.16Å; F196-L231 HydrophobicContact CE1-CG 4.2Å; F196-L231 HydrophobicContact CZ-CD1 3.6Å; F196-L231 HydrophobicContact CZ-CD2 4.07Å; F196-L231 HydrophobicContact CZ-CG 4.33Å
197	P	60.7	Low	75.3	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.078	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-61.7	151.8	163.8	30.1	-35.5	0	0	0	108.8	L199 Y206 L222 F232	P197-L199 PolarHBondContact O-N 3.34Å; P197-L199 VanDerWaalsContact O-N 3.09Å; P197-Y206 HydrophobicContact CB-CD1 4.04Å; P197-Y206 HydrophobicContact CB-CE1 3.38Å; P197-Y206 HydrophobicContact CG-CE1 4.24Å; P197-L222 HydrophobicContact CG-CD2 4.06Å; P197-F232 HydrophobicContact CG-CZ 4.34Å
198	C	57.4	Low	76	Confident	86 Å²	86	57.9 Å²	57.9	58%	0.581	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-60.5	119	172.8	-173	0	0	0	0	108.9	N200 D201	C198-N200 PolarHBondContact O-N 3.47Å; C198-D201 WeakPolarHBondContact O-CB 3.37Å; C198-D201 PolarHBondContact O-N 2.69Å
199	L	56.5	Low	76.9	Confident	105 Å²	105	54.8 Å²	54.8	55%	0.55	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12	176.5	-68.1	175.1	0	0	0	112.6	P197 R204 F232	P197-L199 PolarHBondContact O-N 3.34Å; P197-L199 VanDerWaalsContact O-N 3.09Å; L199-R204 VanDerWaalsContact O-CZ 3.26Å; L199-R204 PolarHBondContact O-NH1 3.03Å; L199-R204 PolarHBondContact O-NH2 2.89Å; L199-F232 HydrophobicContact CD2-CE1 4.14Å
200	N	62.6	Low	78.1	Confident	135 Å²	135	47.3 Å²	47.3	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	28.1	171.9	-64.1	-9.1	0	0	0	112.8	C198 T202	C198-N200 PolarHBondContact O-N 3.47Å; N200-T202 PolarHBondContact O-N 3.47Å
201	D	80.2	Confident	79.1	Confident	38 Å²	38	44.8 Å²	44.8	20%	0.203	24%	0.236	C	C	.	.			trans	-54.4	122.3	163.7	175.7	-13.6	0	0	0	109.7	C198 Y203 R204 Y206	C198-D201 WeakPolarHBondContact O-CB 3.37Å; C198-D201 PolarHBondContact O-N 2.69Å; D201-Y203 VanDerWaalsContact C-N 3.29Å; D201-Y203 PolarHBondContact O-N 2.81Å; D201-Y203 PolarHBondContact OD1-N 2.85Å; D201-R204 WeakPolarHBondContact O-CG 3.48Å; D201-R204 PolarHBondContact OD1-N 3.23Å; D201-R204 WeakPolarHBondContact OD2-CA 3.31Å; D201-R204 PolarHBondContact OD2-N 3.23Å; D201-Y206 HydrophobicContact CB-CE1 4.42Å; D201-Y206 WeakPolarHBondContact CB-OH 3.38Å; D201-Y206 WeakPolarHBondContact OD2-CE1 3.15Å
202	T	87.9	Confident	79.7	Confident	79 Å²	79	46.3 Å²	46.3	49%	0.485	26%	0.258	S	S	.	.	S	Bend	trans	-55	-40.6	179.6	-54.1	0	0	0	0	113	N200 F585	N200-T202 PolarHBondContact O-N 3.47Å; T202-F585 HydrophobicContact CG2-CD1 4.12Å; T202-F585 WeakPolarHBondContact O-CE1 3.34Å
203	Y	92.8	Very high	80.3	Confident	9 Å²	9	45.4 Å²	45.4	4%	0.035	26%	0.256	C	S	.	.	S	Bend	trans	-104.5	-22.1	-172	-54	-67	0	0	0	112.7	D201 F205 Y580 F585 F590 F605 G606 F607	D201-Y203 VanDerWaalsContact C-N 3.29Å; D201-Y203 PolarHBondContact O-N 2.81Å; D201-Y203 PolarHBondContact OD1-N 2.85Å; Y203-F205 PolarHBondContact O-N 3.19Å; Y203-Y580 HydrophobicContact CD1-CD1 4.4Å; Y203-Y580 WeakPolarHBondContact O-CE1 3.42Å; Y203-Y580 PolarHBondContact O-OH 2.61Å; Y203-F585 HydrophobicContact CD1-CD1 4.26Å; Y203-F585 HydrophobicContact CD1-CE1 4.08Å; Y203-F585 HydrophobicContact CD1-CZ 4.45Å; Y203-F585 HydrophobicContact CE1-CD1 4.26Å; Y203-F590 HydrophobicContact CD1-CE1 4.43Å; Y203-F590 AromaticContact CE1-CD1 3.66Å; Y203-F590 HydrophobicContact CE1-CD1 3.66Å; Y203-F590 AromaticContact CE1-CE1 3.66Å; Y203-F590 HydrophobicContact CE1-CE1 3.66Å; Y203-F605 PolarHBondContact OH-O 2.81Å; Y203-G606 WeakPolarHBondContact CE2-O 3.41Å; Y203-F607 AromaticContact CD1-CD2 3.65Å; Y203-F607 HydrophobicContact CD1-CD2 3.65Å; Y203-F607 AromaticContact CD1-CE2 3.96Å; Y203-F607 HydrophobicContact CD1-CE2 3.96Å; Y203-F607 HydrophobicContact CD2-CD2 4.22Å; Y203-F607 AromaticContact CE1-CD2 3.94Å; Y203-F607 HydrophobicContact CE1-CD2 3.94Å; Y203-F607 HydrophobicContact CE2-CD2 4.48Å; Y203-F607 AromaticContact CG-CD2 3.8Å; Y203-F607 HydrophobicContact CG-CD2 3.8Å; Y203-F607 HydrophobicContact CG-CE2 4.02Å
204	R	93.3	Very high	81.4	Confident	43 Å²	43	44.6 Å²	44.6	16%	0.162	26%	0.255	C	S	.	.			trans	51.2	35.7	-177.8	-50.4	-176.8	175.5	-76.8	-1.6	112.7	L199 D201 Y206 W336 M337	L199-R204 VanDerWaalsContact O-CZ 3.26Å; L199-R204 PolarHBondContact O-NH1 3.03Å; L199-R204 PolarHBondContact O-NH2 2.89Å; D201-R204 WeakPolarHBondContact O-CG 3.48Å; D201-R204 PolarHBondContact OD1-N 3.23Å; D201-R204 WeakPolarHBondContact OD2-CA 3.31Å; D201-R204 PolarHBondContact OD2-N 3.23Å; R204-Y206 HydrophobicContact CB-CE2 4.15Å; R204-Y206 WeakPolarHBondContact O-CE2 3.48Å; R204-W336 WeakPolarHBondContact O-CA 3.31Å; R204-M337 WeakPolarHBondContact CB-O 3.32Å; R204-M337 WeakPolarHBondContact CD-O 3.49Å; R204-M337 PolarHBondContact O-N 3.46Å
205	F	94.9	Very high	82.7	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.5	-179.5	174.6	-116	0	0	0	109.5	Y203 L207 M335 I531 F547 V549 F607 P608 P610	Y203-F205 PolarHBondContact O-N 3.19Å; F205-L207 HydrophobicContact CE1-CD2 3.96Å; F205-L207 HydrophobicContact CE2-CD2 4.47Å; F205-L207 HydrophobicContact CZ-CD2 3.67Å; F205-M335 WeakPolarHBondContact CA-O 3.38Å; F205-M335 WeakPolarHBondContact CD2-O 3.44Å; F205-I531 HydrophobicContact CE2-CD1 4.37Å; F205-I531 HydrophobicContact CZ-CD1 3.89Å; F205-F547 HydrophobicContact CE1-CE1 4.42Å; F205-F547 HydrophobicContact CE1-CZ 4.3Å; F205-F547 HydrophobicContact CZ-CE1 4.34Å; F205-F547 HydrophobicContact CZ-CZ 4.28Å; F205-V549 HydrophobicContact CD2-CG1 4.14Å; F205-V549 HydrophobicContact CE2-CB 4.07Å; F205-V549 HydrophobicContact CE2-CG1 4.06Å; F205-V549 HydrophobicContact CE2-CG2 4.06Å; F205-F607 HydrophobicContact CB-CZ 4.45Å; F205-F607 HydrophobicContact CD1-CE1 4.14Å; F205-F607 HydrophobicContact CD1-CZ 4.25Å; F205-F607 HydrophobicContact CG-CZ 4.42Å; F205-P608 HydrophobicContact CD1-CG 4.24Å; F205-P608 WeakPolarHBondContact CE1-O 3.22Å; F205-P610 HydrophobicContact CE1-CG 4.5Å; F205-P610 HydrophobicContact CZ-CG 4.46Å
206	Y	94.7	Very high	84	Confident	16 Å²	16	51.7 Å²	51.7	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150	-173.8	-50.6	-73	0	0	0	111.4	P197 D201 R204 L222 G334 M335 M337	P197-Y206 HydrophobicContact CB-CD1 4.04Å; P197-Y206 HydrophobicContact CB-CE1 3.38Å; P197-Y206 HydrophobicContact CG-CE1 4.24Å; D201-Y206 HydrophobicContact CB-CE1 4.42Å; D201-Y206 WeakPolarHBondContact CB-OH 3.38Å; D201-Y206 WeakPolarHBondContact OD2-CE1 3.15Å; R204-Y206 HydrophobicContact CB-CE2 4.15Å; R204-Y206 WeakPolarHBondContact O-CE2 3.48Å; Y206-L222 HydrophobicContact CD1-CD1 4.45Å; Y206-L222 HydrophobicContact CD2-CD1 3.7Å; Y206-L222 HydrophobicContact CE2-CD1 4.31Å; Y206-L222 HydrophobicContact CG-CD1 3.77Å; Y206-L222 HydrophobicContact CG-CG 4.4Å; Y206-G334 CarbonylContact O-C 3.55Å; Y206-G334 WeakPolarHBondContact O-CA 3.39Å; Y206-M335 HydrophobicContact CD2-CG 4.41Å; Y206-M335 PolarHBondContact N-O 2.91Å; Y206-M335 PolarHBondContact O-N 3.45Å; Y206-M337 HydrophobicContact CD2-CB 4.32Å; Y206-M337 HydrophobicContact CE2-CB 4.04Å
207	L	95.9	Very high	85.5	Confident	10 Å²	10	48 Å²	48	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	159	166.9	-52.4	-173	0	0	0	109.9	F205 A221 L222 Q333 T522 I531 F597 P610	F205-L207 HydrophobicContact CE1-CD2 3.96Å; F205-L207 HydrophobicContact CE2-CD2 4.47Å; F205-L207 HydrophobicContact CZ-CD2 3.67Å; L207-A221 WeakPolarHBondContact O-CA 3.38Å; L207-A221 WeakPolarHBondContact O-CB 3.49Å; L207-L222 PolarHBondContact O-N 3.21Å; L207-Q333 WeakPolarHBondContact CA-O 3.42Å; L207-Q333 WeakPolarHBondContact CD2-O 3.18Å; L207-T522 HydrophobicContact CD1-CG2 4.15Å; L207-I531 HydrophobicContact CD2-CD1 4.28Å; L207-F597 HydrophobicContact CB-CZ 4.36Å; L207-F597 HydrophobicContact CD1-CZ 4.1Å; L207-F597 HydrophobicContact CG-CZ 4.45Å; L207-P610 HydrophobicContact CD1-CB 3.87Å; L207-P610 HydrophobicContact CD2-CB 3.88Å
208	N	95.8	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-70	152.7	174.8	66.1	-60.8	0	0	0	112.3	L222 W328 K331 Q333 M335 R524	N208-L222 WeakPolarHBondContact CA-O 3.44Å; N208-W328 HydrophobicContact CB-CE3 4.3Å; N208-W328 HydrophobicContact CB-CZ3 4.49Å; N208-K331 PolarHBondContact ND2-O 3.05Å; N208-K331 PolarHBondContact OD1-O 3.13Å; N208-Q333 HydrophobicContact CB-CB 4.13Å; N208-Q333 HydrophobicContact CB-CG 4.49Å; N208-Q333 PolarHBondContact N-O 2.73Å; N208-Q333 WeakPolarHBondContact OD1-CA 3.46Å; N208-Q333 WeakPolarHBondContact OD1-CB 3.22Å; N208-Q333 PolarHBondContact OD1-N 2.79Å; N208-Q333 PolarHBondContact OD1-O 3.18Å; N208-M335 HydrophobicContact CB-CE 4.38Å; N208-R524 PolarHBondContact O-NH2 3.4Å
209	K	94.8	Very high	88.2	Confident	6 Å²	6	46 Å²	46	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-61	142.6	160.4	-66.5	-178.1	177.2	168.5	0	109.2	F191 E193 N218 A221 L222 H223 D226	F191-K209 HydrophobicContact CD1-CD 4.49Å; F191-K209 HydrophobicContact CE1-CB 3.95Å; F191-K209 HydrophobicContact CE1-CD 4.29Å; F191-K209 HydrophobicContact CE2-CB 4.33Å; F191-K209 HydrophobicContact CZ-CB 3.64Å; F191-K209 WeakPolarHBondContact O-CD 3.38Å; F191-K209 PolarHBondContact O-NZ 2.93Å; E193-K209 PolarHBondContact O-NZ 2.86Å; K209-N218 WeakPolarHBondContact CA-OD1 3.29Å; K209-N218 HydrophobicContact CG-CB 4.4Å; K209-A221 VanDerWaalsContact CE-O 3.26Å; K209-A221 WeakPolarHBondContact CE-O 3.3Å; K209-A221 HydrophobicContact CG-CB 4.11Å; K209-A221 VanDerWaalsContact CG-O 3.28Å; K209-A221 WeakPolarHBondContact CG-O 3.35Å; K209-L222 PolarHBondContact N-O 3.27Å; K209-L222 VanDerWaalsContact N-O 3.15Å; K209-H223 HydrophobicContact CB-CB 4.29Å; K209-H223 HydrophobicContact CD-CB 4Å; K209-H223 HydrophobicContact CG-CB 4.35Å; K209-D226 WeakPolarHBondContact CD-OD2 3.5Å; K209-D226 WeakPolarHBondContact CE-OD2 3.25Å; K209-D226 VanDerWaalsContact NZ-CG 3.3Å; K209-D226 IonicContact NZ-OD1 3.99Å; K209-D226 PolarHBondContact NZ-OD1 3.09Å; K209-D226 IonicContact NZ-OD2 3.44Å; K209-D226 PolarHBondContact NZ-OD2 3.11Å
210	V	95.6	Very high	89.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.			trans	-128.8	119.9	-176.1	-177.4	0	0	0	0	109.7	G212 L213 N218 L488 R524 A527	V210-G212 PolarHBondContact O-N 3.45Å; V210-L213 HydrophobicContact CB-CD1 3.72Å; V210-L213 HydrophobicContact CB-CG 3.93Å; V210-L213 HydrophobicContact CG1-CD1 3.9Å; V210-L213 HydrophobicContact CG1-CG 3.8Å; V210-L213 HydrophobicContact CG2-CD1 4.23Å; V210-N218 PolarHBondContact N-OD1 3.23Å; V210-N218 PolarHBondContact O-ND2 3.25Å; V210-L488 HydrophobicContact CG1-CD1 3.88Å; V210-R524 HydrophobicContact CG2-CG 4.38Å; V210-A527 HydrophobicContact CG1-CB 3.83Å
211	T	94.4	Very high	90.9	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.037	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	121.9	-175	-54.6	0	0	0	0	111.2	E187 F191 Y329 Q330	E187-T211 HydrophobicContact CG-CG2 3.93Å; E187-T211 WeakPolarHBondContact CG-OG1 3.44Å; E187-T211 PolarHBondContact OE1-OG1 2.81Å; F191-T211 WeakPolarHBondContact CZ-OG1 3.45Å; T211-Y329 HydrophobicContact CG2-CD2 4.17Å; T211-Y329 HydrophobicContact CG2-CE2 3.71Å; T211-Y329 PolarHBondContact N-O 2.72Å; T211-Q330 WeakPolarHBondContact O-CG 3.37Å; T211-Q330 PolarHBondContact O-NE2 3.28Å
212	G	91.4	Very high	91.5	Very high	55 Å²	55	34 Å²	34	57%	0.567	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	11.2	-179.1	0	0	0	0	0	115.9	V210	V210-G212 PolarHBondContact O-N 3.45Å
213	L	92.1	Very high	91.8	Very high	30 Å²	30	30.8 Å²	30.8	16%	0.157	16%	0.164	C	C	.	.	S	Bend	trans	-91.3	157.1	161.1	-58.8	-171.1	0	0	0	111.1	V210 F217 L488 G523 R524	V210-L213 HydrophobicContact CB-CD1 3.72Å; V210-L213 HydrophobicContact CB-CG 3.93Å; V210-L213 HydrophobicContact CG1-CD1 3.9Å; V210-L213 HydrophobicContact CG1-CG 3.8Å; V210-L213 HydrophobicContact CG2-CD1 4.23Å; L213-F217 HydrophobicContact CB-CB 4.25Å; L213-F217 HydrophobicContact CB-CD2 4.4Å; L213-F217 HydrophobicContact CD1-CB 4.09Å; L213-L488 HydrophobicContact CD2-CD1 4.05Å; L213-G523 WeakPolarHBondContact CD2-O 3.37Å; L213-R524 HydrophobicContact CD1-CG 3.81Å
214	D	90.2	Very high	91.9	Very high	90 Å²	90	30.4 Å²	30.4	48%	0.481	16%	0.163	S	C	.	.			trans	-50.4	138.8	167.4	-65.5	-5.5	0	0	0	111.3	K216 F217	D214-K216 HydrophobicContact CB-CD 4.05Å; D214-K216 HydrophobicContact CB-CG 3.92Å; D214-K216 PolarHBondContact O-N 2.94Å; D214-K216 WeakPolarHBondContact OD2-CE 3.31Å; D214-K216 IonicContact OD2-NZ 2.65Å; D214-K216 PolarHBondContact OD2-NZ 2.66Å; D214-F217 HydrophobicContact CB-CD2 3.88Å; D214-F217 HydrophobicContact CB-CE2 4.22Å; D214-F217 PolarHBondContact O-N 3.19Å
215	R	87.3	Confident	92	Very high	127 Å²	127	33.2 Å²	33.2	48%	0.479	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-47.3	-37.9	180	-172.4	171.4	179.7	161.6	1.8	112.8	D190 E193 F217 N218 S219	D190-R215 IonicContact OD2-CZ 2.95Å; D190-R215 IonicContact OD2-NE 2.71Å; D190-R215 IonicContact OD2-NH1 3.24Å; D190-R215 PolarHBondContact OD2-NH1 2.8Å; E193-R215 IonicContact OE2-CZ 3.55Å; E193-R215 IonicContact OE2-NH1 2.76Å; E193-R215 IonicContact OE2-NH2 3.57Å; E193-R215 PolarHBondContact OE2-NH2 3.01Å; R215-F217 PolarHBondContact O-N 3.43Å; R215-F217 VanDerWaalsContact O-N 3.17Å; R215-N218 CarbonylContact O-C 3.52Å; R215-N218 WeakPolarHBondContact O-CA 3.42Å; R215-N218 PolarHBondContact O-N 3.19Å; R215-S219 PolarHBondContact O-N 3.02Å; R215-S219 PolarHBondContact O-OG 2.82Å
216	K	87.5	Confident	91.8	Very high	115 Å²	115	33.1 Å²	33.1	50%	0.5	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-56	-28.3	177.6	78.7	-159.9	-172.8	-153.3	0	115	D214 F597	D214-K216 HydrophobicContact CB-CD 4.05Å; D214-K216 HydrophobicContact CB-CG 3.92Å; D214-K216 PolarHBondContact O-N 2.94Å; D214-K216 WeakPolarHBondContact OD2-CE 3.31Å; D214-K216 IonicContact OD2-NZ 2.65Å; D214-K216 PolarHBondContact OD2-NZ 2.66Å; K216-F597 WeakPolarHBondContact O-CB 3.32Å
217	F	90.4	Very high	91.8	Very high	39 Å²	39	32.4 Å²	32.4	17%	0.171	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-88.3	-5.9	177.1	-61.3	-55.9	0	0	0	112.9	L213 D214 R215 R524 F597	L213-F217 HydrophobicContact CB-CB 4.25Å; L213-F217 HydrophobicContact CB-CD2 4.4Å; L213-F217 HydrophobicContact CD1-CB 4.09Å; D214-F217 HydrophobicContact CB-CD2 3.88Å; D214-F217 HydrophobicContact CB-CE2 4.22Å; D214-F217 PolarHBondContact O-N 3.19Å; R215-F217 PolarHBondContact O-N 3.43Å; R215-F217 VanDerWaalsContact O-N 3.17Å; F217-R524 VanDerWaalsContact O-CZ 3.32Å; F217-R524 PolarHBondContact O-NH1 3.19Å; F217-R524 PolarHBondContact O-NH2 3.2Å; F217-F597 HydrophobicContact CD1-CD2 4.43Å
218	N	90	Very high	91.8	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-11.6	174.1	-70.5	-37	0	0	0	112.8	K209 V210 R215 G220 A221	K209-N218 WeakPolarHBondContact CA-OD1 3.29Å; K209-N218 HydrophobicContact CG-CB 4.4Å; V210-N218 PolarHBondContact N-OD1 3.23Å; V210-N218 PolarHBondContact O-ND2 3.25Å; R215-N218 CarbonylContact O-C 3.52Å; R215-N218 WeakPolarHBondContact O-CA 3.42Å; R215-N218 PolarHBondContact O-N 3.19Å; N218-G220 PolarHBondContact O-N 3.32Å; N218-A221 WeakPolarHBondContact O-CB 3.49Å; N218-A221 PolarHBondContact O-N 2.95Å
219	S	84.8	Confident	91.7	Very high	41 Å²	41	33 Å²	33	29%	0.287	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	113.5	168.5	-62.8	0	0	0	0	110.9	R215 A221 F597	R215-S219 PolarHBondContact O-N 3.02Å; R215-S219 PolarHBondContact O-OG 2.82Å; S219-A221 VanDerWaalsContact C-N 3.29Å; S219-A221 PolarHBondContact O-N 3.2Å; S219-F597 WeakPolarHBondContact O-CD1 3.4Å
220	G	83.8	Confident	91.6	Very high	25 Å²	25	35.2 Å²	35.2	26%	0.258	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	1.6	-175.4	0	0	0	0	0	115	N218	N218-G220 PolarHBondContact O-N 3.32Å
221	A	90.9	Very high	91.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.			trans	-88.2	152.4	168.3	0	0	0	0	0	110.6	L207 K209 N218 S219 F597	L207-A221 WeakPolarHBondContact O-CA 3.38Å; L207-A221 WeakPolarHBondContact O-CB 3.49Å; K209-A221 VanDerWaalsContact CE-O 3.26Å; K209-A221 WeakPolarHBondContact CE-O 3.3Å; K209-A221 HydrophobicContact CG-CB 4.11Å; K209-A221 VanDerWaalsContact CG-O 3.28Å; K209-A221 WeakPolarHBondContact CG-O 3.35Å; N218-A221 WeakPolarHBondContact O-CB 3.49Å; N218-A221 PolarHBondContact O-N 2.95Å; S219-A221 VanDerWaalsContact C-N 3.29Å; S219-A221 PolarHBondContact O-N 3.2Å; A221-F597 HydrophobicContact CB-CE1 4.18Å
222	L	92.1	Very high	91.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-115.3	129	-171.9	-68.7	175.8	0	0	0	113.4	P197 Y206 L207 N208 K209 D226 I227 M335 M337	P197-L222 HydrophobicContact CG-CD2 4.06Å; Y206-L222 HydrophobicContact CD1-CD1 4.45Å; Y206-L222 HydrophobicContact CD2-CD1 3.7Å; Y206-L222 HydrophobicContact CE2-CD1 4.31Å; Y206-L222 HydrophobicContact CG-CD1 3.77Å; Y206-L222 HydrophobicContact CG-CG 4.4Å; L207-L222 PolarHBondContact O-N 3.21Å; N208-L222 WeakPolarHBondContact CA-O 3.44Å; K209-L222 PolarHBondContact N-O 3.27Å; K209-L222 VanDerWaalsContact N-O 3.15Å; L222-D226 HydrophobicContact CD2-CB 3.76Å; L222-I227 HydrophobicContact CB-CG1 4.34Å; L222-I227 HydrophobicContact CD1-CG1 4.41Å; L222-M335 HydrophobicContact CB-CE 4.06Å; L222-M335 HydrophobicContact CB-SD 3.91Å; L222-M335 HydrophobicContact CD1-SD 3.97Å; L222-M337 HydrophobicContact CD1-CE 3.78Å
223	H	94.6	Very high	91.4	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	19%	0.193	C	C	.	.			trans	-91	159.1	160.8	-174.5	-108.7	0	0	0	109.9	F192 K209 R225 D226 I227	F192-H223 AromaticContact CE1-CE1 3.85Å; F192-H223 AromaticContact CE1-ND1 3.56Å; K209-H223 HydrophobicContact CB-CB 4.29Å; K209-H223 HydrophobicContact CD-CB 4Å; K209-H223 HydrophobicContact CG-CB 4.35Å; H223-R225 PolarHBondContact ND1-N 3.12Å; H223-R225 PolarHBondContact O-N 2.69Å; H223-R225 VanDerWaalsContact O-N 3.12Å; H223-D226 WeakPolarHBondContact CA-OD2 3.26Å; H223-D226 WeakPolarHBondContact CB-OD2 3.37Å; H223-D226 PolarHBondContact N-OD2 2.89Å; H223-D226 WeakPolarHBondContact O-CA 3.47Å; H223-D226 WeakPolarHBondContact O-CB 3.37Å; H223-D226 PolarHBondContact O-N 3.05Å; H223-I227 PolarHBondContact O-N 3.27Å
224	I	96.1	Very high	91.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-27.4	177.4	-179.3	164.7	0	0	0	113.4	I227 L228 W249 Q253 M306 L323 W328	I224-I227 PolarHBondContact O-N 2.85Å; I224-L228 HydrophobicContact CD1-CD1 4.26Å; I224-L228 HydrophobicContact CG1-CD1 3.75Å; I224-L228 HydrophobicContact CG1-CG 4.2Å; I224-L228 WeakPolarHBondContact O-CB 3.38Å; I224-L228 WeakPolarHBondContact O-CG 3.19Å; I224-L228 PolarHBondContact O-N 3Å; I224-W249 HydrophobicContact CD1-CH2 4.43Å; I224-W249 HydrophobicContact CG2-CH2 3.82Å; I224-W249 HydrophobicContact CG2-CZ2 4.15Å; I224-Q253 HydrophobicContact CD1-CB 4.37Å; I224-Q253 HydrophobicContact CG1-CB 4.13Å; I224-Q253 HydrophobicContact CG2-CB 3.93Å; I224-Q253 HydrophobicContact CG2-CG 3.73Å; I224-M306 HydrophobicContact CD1-CE 3.84Å; I224-M306 HydrophobicContact CG1-CE 4.17Å; I224-L323 HydrophobicContact CD1-CD2 3.38Å; I224-W328 HydrophobicContact CB-CD2 4.01Å; I224-W328 HydrophobicContact CB-CE3 4.01Å; I224-W328 HydrophobicContact CB-CH2 3.91Å; I224-W328 HydrophobicContact CB-CZ2 3.91Å; I224-W328 HydrophobicContact CB-CZ3 3.96Å; I224-W328 HydrophobicContact CD1-CZ2 4.29Å; I224-W328 HydrophobicContact CG1-CZ2 4.48Å; I224-W328 HydrophobicContact CG2-CD2 4.02Å; I224-W328 HydrophobicContact CG2-CE3 4.24Å; I224-W328 HydrophobicContact CG2-CG 4.32Å; I224-W328 VanDerWaalsContact N-CZ3 3.34Å
225	R	94.2	Very high	92.1	Very high	101 Å²	101	35.3 Å²	35.3	38%	0.381	18%	0.179	S	C	.	.	H	α-helix	trans	-67.4	-36.6	171.4	-69.9	175.2	-178.6	-172.2	-10.3	113.3	F192 H223 I227 S229 Q253	F192-R225 VanDerWaalsContact CZ-NH1 3.33Å; H223-R225 PolarHBondContact ND1-N 3.12Å; H223-R225 PolarHBondContact O-N 2.69Å; H223-R225 VanDerWaalsContact O-N 3.12Å; R225-I227 VanDerWaalsContact C-N 3.33Å; R225-S229 PolarHBondContact O-N 2.84Å; R225-Q253 HydrophobicContact CG-CB 4.36Å
226	D	92.3	Very high	92.6	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-41.4	175.7	-53.1	-62.6	0	0	0	109.1	K209 L222 H223 S229 F232	K209-D226 WeakPolarHBondContact CD-OD2 3.5Å; K209-D226 WeakPolarHBondContact CE-OD2 3.25Å; K209-D226 VanDerWaalsContact NZ-CG 3.3Å; K209-D226 IonicContact NZ-OD1 3.99Å; K209-D226 PolarHBondContact NZ-OD1 3.09Å; K209-D226 IonicContact NZ-OD2 3.44Å; K209-D226 PolarHBondContact NZ-OD2 3.11Å; L222-D226 HydrophobicContact CD2-CB 3.76Å; H223-D226 WeakPolarHBondContact CA-OD2 3.26Å; H223-D226 WeakPolarHBondContact CB-OD2 3.37Å; H223-D226 PolarHBondContact N-OD2 2.89Å; H223-D226 WeakPolarHBondContact O-CA 3.47Å; H223-D226 WeakPolarHBondContact O-CB 3.37Å; H223-D226 PolarHBondContact O-N 3.05Å; D226-S229 WeakPolarHBondContact O-CB 3.36Å; D226-S229 PolarHBondContact O-N 3.4Å; D226-F232 WeakPolarHBondContact O-CD2 3.17Å; D226-F232 WeakPolarHBondContact O-CE2 3.11Å
227	I	94.3	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-43.6	178.1	-64.3	172.5	0	0	0	113.1	L222 H223 I224 R225 S229 M306 L308 I317 W328 M335 M337	L222-I227 HydrophobicContact CB-CG1 4.34Å; L222-I227 HydrophobicContact CD1-CG1 4.41Å; H223-I227 PolarHBondContact O-N 3.27Å; I224-I227 PolarHBondContact O-N 2.85Å; R225-I227 VanDerWaalsContact C-N 3.33Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-M306 HydrophobicContact CG2-SD 3.92Å; I227-L308 HydrophobicContact CG2-CD1 4.3Å; I227-I317 HydrophobicContact CG2-CD1 3.28Å; I227-W328 HydrophobicContact CD1-CH2 3.73Å; I227-W328 HydrophobicContact CD1-CZ3 4.09Å; I227-M335 HydrophobicContact CD1-CE 4.47Å; I227-M335 HydrophobicContact CD1-SD 3.57Å; I227-M335 VanDerWaalsContact CD1-SD 3.57Å; I227-M335 HydrophobicContact CG1-SD 4.36Å; I227-M337 HydrophobicContact CG1-CE 4.18Å
228	L	96	Very high	93.5	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.3	-177.6	-62.8	175.1	0	0	0	113.1	I224 Q253 F254 P255 L308	I224-L228 HydrophobicContact CD1-CD1 4.26Å; I224-L228 HydrophobicContact CG1-CD1 3.75Å; I224-L228 HydrophobicContact CG1-CG 4.2Å; I224-L228 WeakPolarHBondContact O-CB 3.38Å; I224-L228 WeakPolarHBondContact O-CG 3.19Å; I224-L228 PolarHBondContact O-N 3Å; L228-Q253 HydrophobicContact CD1-CB 4.27Å; L228-F254 HydrophobicContact CD1-CD1 4.03Å; L228-F254 HydrophobicContact CD1-CD2 3.9Å; L228-F254 HydrophobicContact CD1-CE1 4.04Å; L228-F254 HydrophobicContact CD1-CE2 3.91Å; L228-F254 HydrophobicContact CD1-CG 3.96Å; L228-F254 HydrophobicContact CD1-CZ 3.98Å; L228-F254 HydrophobicContact CD2-CD1 4.32Å; L228-F254 HydrophobicContact CD2-CE1 3.9Å; L228-F254 HydrophobicContact CD2-CZ 4.25Å; L228-P255 WeakPolarHBondContact O-CD 3.35Å; L228-P255 WeakPolarHBondContact O-CG 3.44Å; L228-L308 HydrophobicContact CD2-CD1 4.44Å; L228-L308 HydrophobicContact CD2-CD2 4.03Å
229	S	93.5	Very high	94	Very high	17 Å²	17	26.3 Å²	26.3	12%	0.119	14%	0.143	C	C	.	.	S	Bend	trans	-65.4	146.5	-179	-176.6	0	0	0	0	112.2	R225 D226 I227 L231 F232	R225-S229 PolarHBondContact O-N 2.84Å; D226-S229 WeakPolarHBondContact O-CB 3.36Å; D226-S229 PolarHBondContact O-N 3.4Å; I227-S229 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-L231 WeakPolarHBondContact OG-CD1 3.49Å; S229-L231 PolarHBondContact OG-N 2.92Å; S229-F232 PolarHBondContact O-N 2.96Å
230	P	93.1	Very high	94.6	Very high	51 Å²	51	24.5 Å²	24.5	33%	0.331	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-57.3	-22.6	173.5	-20.4	33.4	0	0	0	112.9	F232 G233 P255 E257 F258	P230-F232 PolarHBondContact O-N 3.35Å; P230-F232 VanDerWaalsContact O-N 3.14Å; P230-G233 CarbonylContact O-C 3.5Å; P230-G233 PolarHBondContact O-N 2.81Å; P230-P255 HydrophobicContact CG-CB 4.36Å; P230-P255 HydrophobicContact CG-CG 4.23Å; P230-E257 HydrophobicContact CG-CG 4.33Å; P230-E257 VanDerWaalsContact CG-OE1 3.31Å; P230-E257 WeakPolarHBondContact CG-OE1 3.1Å; P230-F258 HydrophobicContact CB-CE2 3.98Å; P230-F258 HydrophobicContact CB-CZ 3.81Å; P230-F258 HydrophobicContact CG-CE2 3.8Å; P230-F258 HydrophobicContact CG-CZ 3.91Å
231	L	90.8	Very high	95.4	Very high	103 Å²	103	23.3 Å²	23.3	54%	0.539	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-61.8	-14.7	175	-66.1	162.5	0	0	0	114.1	T194 F196 S229	T194-L231 HydrophobicContact CG2-CD1 4.24Å; F196-L231 HydrophobicContact CE1-CB 4.1Å; F196-L231 HydrophobicContact CE1-CD1 3.69Å; F196-L231 HydrophobicContact CE1-CD2 4.16Å; F196-L231 HydrophobicContact CE1-CG 4.2Å; F196-L231 HydrophobicContact CZ-CD1 3.6Å; F196-L231 HydrophobicContact CZ-CD2 4.07Å; F196-L231 HydrophobicContact CZ-CG 4.33Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-L231 WeakPolarHBondContact OG-CD1 3.49Å; S229-L231 PolarHBondContact OG-N 2.92Å
232	F	91.3	Very high	95.7	Very high	15 Å²	15	23.4 Å²	23.4	7%	0.066	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-101.5	-2.4	173.4	-78.6	-86.9	0	0	0	114.1	P197 L199 D226 S229 P230 R315 M337	P197-F232 HydrophobicContact CG-CZ 4.34Å; L199-F232 HydrophobicContact CD2-CE1 4.14Å; D226-F232 WeakPolarHBondContact O-CD2 3.17Å; D226-F232 WeakPolarHBondContact O-CE2 3.11Å; S229-F232 PolarHBondContact O-N 2.96Å; P230-F232 PolarHBondContact O-N 3.35Å; P230-F232 VanDerWaalsContact O-N 3.14Å; F232-R315 PolarHBondContact O-NH2 3.33Å; F232-M337 HydrophobicContact CD1-CE 4.21Å; F232-M337 HydrophobicContact CD1-SD 3.82Å; F232-M337 HydrophobicContact CE1-CE 3.79Å; F232-M337 HydrophobicContact CE1-SD 3.42Å; F232-M337 WeakPolarHBondContact CE1-SD 3.39Å; F232-M337 HydrophobicContact CZ-CE 4.14Å; F232-M337 HydrophobicContact CZ-SD 4.28Å
233	G	94.6	Very high	96	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	13%	0.13	C	C	.	.			trans	137.3	156	179.7	0	0	0	0	0	112.8	P230 L235 Y310 E312	P230-G233 CarbonylContact O-C 3.5Å; P230-G233 PolarHBondContact O-N 2.81Å; G233-L235 PolarHBondContact O-N 3.03Å; G233-Y310 WeakPolarHBondContact O-CD1 3.5Å; G233-E312 WeakPolarHBondContact CA-OE2 3.5Å
234	T	98	Very high	96.1	Very high	51 Å²	51	27.4 Å²	27.4	31%	0.313	14%	0.138	S	C	.	.			trans	-81.7	97.5	-179.4	-54.1	0	0	0	0	110.1	K236 F258 Y310 E311 E312	T234-K236 PolarHBondContact O-N 3.15Å; T234-F258 HydrophobicContact CG2-CE1 4.38Å; T234-Y310 CarbonylContact O-C 3.56Å; T234-Y310 WeakPolarHBondContact O-CA 3.48Å; T234-Y310 WeakPolarHBondContact O-CB 3.19Å; T234-E311 HydrophobicContact CG2-CG 4.13Å; T234-E311 PolarHBondContact O-N 3.47Å; T234-E312 VanDerWaalsContact CB-OE1 3.29Å; T234-E312 WeakPolarHBondContact CB-OE1 3.5Å; T234-E312 VanDerWaalsContact N-CD 3.32Å; T234-E312 PolarHBondContact N-OE1 2.88Å; T234-E312 PolarHBondContact N-OE2 3.36Å; T234-E312 PolarHBondContact OG1-OE1 2.92Å
235	L	98.6	Very high	96.2	Very high	9 Å²	9	28 Å²	28	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.6	-164.9	-169.9	77.5	0	0	0	113.6	G233 E237 F254 F258 C261 L308 Y310	G233-L235 PolarHBondContact O-N 3.03Å; L235-E237 WeakPolarHBondContact CD1-O 3.49Å; L235-F254 HydrophobicContact CD2-CD1 3.92Å; L235-F254 HydrophobicContact CD2-CE1 3.7Å; L235-F258 HydrophobicContact CB-CB 4.41Å; L235-F258 HydrophobicContact CB-CD1 4.09Å; L235-F258 HydrophobicContact CB-CD2 3.69Å; L235-F258 HydrophobicContact CB-CE1 4.29Å; L235-F258 HydrophobicContact CB-CE2 3.89Å; L235-F258 HydrophobicContact CB-CG 3.82Å; L235-F258 HydrophobicContact CB-CZ 4.21Å; L235-F258 HydrophobicContact CD2-CB 4.28Å; L235-F258 HydrophobicContact CD2-CD2 4.48Å; L235-C261 PolarHBondContact O-SG 3.46Å; L235-L308 HydrophobicContact CD1-CB 4.02Å; L235-L308 HydrophobicContact CD1-CD2 4.16Å; L235-Y310 HydrophobicContact CB-CD1 4.12Å; L235-Y310 HydrophobicContact CB-CE1 4.43Å; L235-Y310 HydrophobicContact CD1-CD1 3.83Å; L235-Y310 HydrophobicContact CD1-CE1 3.78Å
236	K	98.4	Very high	96.4	Very high	80 Å²	80	26 Å²	26	35%	0.348	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-46.3	171.9	-67.3	177.3	-177.9	153.3	0	112.8	T234 C261 P262 W309 Y310 E311	T234-K236 PolarHBondContact O-N 3.15Å; K236-C261 WeakPolarHBondContact O-CB 3.29Å; K236-P262 WeakPolarHBondContact O-CD 3.46Å; K236-W309 HydrophobicContact CB-CD2 4.31Å; K236-W309 HydrophobicContact CB-CE3 3.9Å; K236-W309 HydrophobicContact CB-CZ3 4.27Å; K236-W309 HydrophobicContact CD-CD2 4.13Å; K236-W309 HydrophobicContact CD-CE3 4.15Å; K236-W309 HydrophobicContact CD-CH2 4.02Å; K236-W309 HydrophobicContact CD-CZ2 3.97Å; K236-W309 HydrophobicContact CD-CZ3 4.11Å; K236-W309 PolarHBondContact N-O 3.36Å; K236-Y310 WeakPolarHBondContact CD-O 3.3Å; K236-Y310 VanDerWaalsContact CE-O 3.31Å; K236-Y310 WeakPolarHBondContact CE-O 3.3Å; K236-Y310 PolarHBondContact NZ-O 3.21Å; K236-E311 VanDerWaalsContact CE-CG 3.45Å; K236-E311 HydrophobicContact CG-CG 4.48Å
237	E	98.4	Very high	96.6	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.112	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159	-176	-150.1	-174.7	139.6	0	0	110.8	L235 P262 W309 W378 R381	L235-E237 WeakPolarHBondContact CD1-O 3.49Å; E237-P262 HydrophobicContact CG-CB 3.7Å; E237-P262 HydrophobicContact CG-CG 4.04Å; E237-P262 WeakPolarHBondContact CG-O 3.35Å; E237-W309 HydrophobicContact CB-CE3 4.22Å; E237-W309 PolarHBondContact N-O 3.4Å; E237-W309 PolarHBondContact O-N 3.03Å; E237-W378 HydrophobicContact CB-CH2 3.9Å; E237-W378 HydrophobicContact CB-CZ2 3.84Å; E237-W378 HydrophobicContact CG-CH2 4.3Å; E237-W378 HydrophobicContact CG-CZ2 3.74Å; E237-W378 WeakPolarHBondContact OE1-CZ2 3.29Å; E237-R381 VanDerWaalsContact CD-NH1 3.3Å; E237-R381 IonicContact OE1-NH1 3.8Å; E237-R381 IonicContact OE2-CZ 3.22Å; E237-R381 VanDerWaalsContact OE2-CZ 3.22Å; E237-R381 IonicContact OE2-NH1 2.7Å; E237-R381 PolarHBondContact OE2-NH1 3.22Å; E237-R381 IonicContact OE2-NH2 2.8Å; E237-R381 PolarHBondContact OE2-NH2 3.03Å
238	S	98.8	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.5	170.9	65.3	0	0	0	0	114.9	P262 V263 L264 L307	S238-P262 PolarHBondContact N-O 2.91Å; S238-P262 VanDerWaalsContact N-O 3.08Å; S238-V263 CarbonylContact O-C 3.44Å; S238-V263 WeakPolarHBondContact O-CA 3.37Å; S238-L264 PolarHBondContact O-N 3.26Å; S238-L307 CarbonylContact C-O 3.52Å; S238-L307 WeakPolarHBondContact CA-O 3.37Å; S238-L307 WeakPolarHBondContact CB-O 3.44Å
239	V	98.9	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	162.6	-164.7	0	0	0	0	109.5	F241 L264 V266 M306 L307 L375 W378	V239-F241 HydrophobicContact CB-CD2 4.25Å; V239-F241 HydrophobicContact CB-CE2 3.78Å; V239-F241 HydrophobicContact CG1-CD2 3.68Å; V239-F241 HydrophobicContact CG1-CE2 3.26Å; V239-F241 HydrophobicContact CG1-CZ 3.87Å; V239-L264 CarbonylContact C-O 3.57Å; V239-L264 WeakPolarHBondContact CA-O 3.46Å; V239-L264 HydrophobicContact CB-CB 4.48Å; V239-L264 HydrophobicContact CG1-CB 4.08Å; V239-L264 HydrophobicContact CG1-CD2 4.12Å; V239-L264 HydrophobicContact CG1-CG 4.17Å; V239-L264 WeakPolarHBondContact CG1-O 3.24Å; V239-L264 HydrophobicContact CG2-CB 4.26Å; V239-L264 HydrophobicContact CG2-CD2 4.34Å; V239-V266 HydrophobicContact CG1-CG2 3.51Å; V239-M306 WeakPolarHBondContact O-CA 3.48Å; V239-L307 HydrophobicContact CB-CB 4.02Å; V239-L307 HydrophobicContact CB-CD1 4.27Å; V239-L307 HydrophobicContact CB-CG 4.31Å; V239-L307 HydrophobicContact CG2-CB 4.07Å; V239-L307 HydrophobicContact CG2-CD1 4.06Å; V239-L307 HydrophobicContact CG2-CG 4.48Å; V239-L307 PolarHBondContact N-O 3.27Å; V239-L307 PolarHBondContact O-N 2.97Å; V239-L375 HydrophobicContact CG1-CD2 4.43Å; V239-W378 HydrophobicContact CG2-CD2 3.24Å; V239-W378 HydrophobicContact CG2-CE3 3.73Å; V239-W378 HydrophobicContact CG2-CG 3.63Å; V239-W378 HydrophobicContact CG2-CH2 3.97Å; V239-W378 HydrophobicContact CG2-CZ2 3.51Å; V239-W378 HydrophobicContact CG2-CZ3 4.07Å
240	Q	98.8	Very high	97.1	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	95.8	177.5	-59.7	-63.4	-31.6	0	0	108.8	F245 M250 V263 L264 I265 V266 L323	Q240-F245 HydrophobicContact CB-CE1 4.23Å; Q240-M250 HydrophobicContact CG-SD 4.24Å; Q240-V263 HydrophobicContact CG-CG1 3.76Å; Q240-L264 PolarHBondContact N-O 2.69Å; Q240-I265 HydrophobicContact CB-CD1 4.05Å; Q240-V266 PolarHBondContact O-N 3.34Å; Q240-L323 HydrophobicContact CB-CD1 3.8Å; Q240-L323 HydrophobicContact CG-CD1 4.27Å
241	F	98.9	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.9	170.6	-62.9	-106.6	0	0	0	108.4	V239 V266 H301 T303 K304 M305 L307 L367 Y370 L375	V239-F241 HydrophobicContact CB-CD2 4.25Å; V239-F241 HydrophobicContact CB-CE2 3.78Å; V239-F241 HydrophobicContact CG1-CD2 3.68Å; V239-F241 HydrophobicContact CG1-CE2 3.26Å; V239-F241 HydrophobicContact CG1-CZ 3.87Å; F241-V266 HydrophobicContact CB-CB 4.42Å; F241-V266 HydrophobicContact CD1-CB 3.58Å; F241-V266 HydrophobicContact CD1-CG1 3.57Å; F241-V266 HydrophobicContact CD1-CG2 3.93Å; F241-V266 HydrophobicContact CD2-CG2 4.48Å; F241-V266 HydrophobicContact CE1-CB 3.91Å; F241-V266 HydrophobicContact CE1-CG1 3.76Å; F241-V266 HydrophobicContact CE1-CG2 3.78Å; F241-V266 HydrophobicContact CE2-CG2 4.33Å; F241-V266 HydrophobicContact CG-CB 3.96Å; F241-V266 HydrophobicContact CG-CG1 4.42Å; F241-V266 HydrophobicContact CG-CG2 4.27Å; F241-V266 HydrophobicContact CZ-CG2 3.97Å; F241-H301 AromaticContact CD1-NE2 3.98Å; F241-T303 CarbonylContact C-O 3.35Å; F241-T303 HydrophobicContact CB-CG2 4.06Å; F241-K304 WeakPolarHBondContact O-CA 3.47Å; F241-M305 HydrophobicContact CB-CB 4.07Å; F241-M305 HydrophobicContact CD1-CE 4.35Å; F241-M305 HydrophobicContact CD2-CB 4.11Å; F241-M305 HydrophobicContact CD2-CE 3.6Å; F241-M305 HydrophobicContact CD2-CG 4.4Å; F241-M305 HydrophobicContact CE1-CE 4.21Å; F241-M305 HydrophobicContact CE2-CE 3.45Å; F241-M305 VanDerWaalsContact CE2-CE 3.45Å; F241-M305 HydrophobicContact CG-CB 4.29Å; F241-M305 HydrophobicContact CG-CE 4.09Å; F241-M305 HydrophobicContact CZ-CE 3.79Å; F241-M305 PolarHBondContact N-O 3.5Å; F241-M305 PolarHBondContact O-N 2.73Å; F241-M305 VanDerWaalsContact O-N 3.1Å; F241-L307 HydrophobicContact CE2-CD1 3.81Å; F241-L307 HydrophobicContact CE2-CG 3.99Å; F241-L307 HydrophobicContact CZ-CD1 4.34Å; F241-L367 HydrophobicContact CE1-CD2 3.93Å; F241-L367 HydrophobicContact CE2-CD2 4.26Å; F241-L367 HydrophobicContact CZ-CD2 3.38Å; F241-Y370 HydrophobicContact CD1-CE1 4.42Å; F241-Y370 HydrophobicContact CE1-CE1 4.25Å; F241-Y370 HydrophobicContact CE1-CE2 4.23Å; F241-Y370 AromaticContact CE1-CZ 3.87Å; F241-L375 HydrophobicContact CE1-CD1 4.15Å; F241-L375 HydrophobicContact CE1-CD2 4.4Å; F241-L375 HydrophobicContact CZ-CD1 4.23Å; F241-L375 HydrophobicContact CZ-CD2 3.8Å
242	N	98.8	Very high	97.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	14%	0.136	C	C	.	.			trans	-156.8	173.7	174.4	-138.4	-67.8	0	0	0	113.8	C244 F245 V266 H301 T303 K304 S321 N322 L323	N242-C244 PolarHBondContact OD1-N 3.32Å; N242-F245 HydrophobicContact CB-CD1 4.27Å; N242-F245 HydrophobicContact CB-CD2 4.36Å; N242-F245 HydrophobicContact CB-CE1 3.59Å; N242-F245 HydrophobicContact CB-CE2 3.68Å; N242-F245 HydrophobicContact CB-CZ 3.25Å; N242-V266 PolarHBondContact N-O 3.04Å; N242-V266 VanDerWaalsContact N-O 3.1Å; N242-H301 PolarHBondContact O-ND1 3.41Å; N242-T303 VanDerWaalsContact CA-O 3.29Å; N242-T303 WeakPolarHBondContact CA-O 3.3Å; N242-K304 WeakPolarHBondContact OD1-CE 3.46Å; N242-S321 PolarHBondContact ND2-O 3Å; N242-N322 WeakPolarHBondContact OD1-CA 3.28Å; N242-N322 PolarHBondContact OD1-OD1 2.99Å; N242-L323 HydrophobicContact CB-CD1 4.22Å
243	Y	97.9	Very high	97.9	Very high	63 Å²	63	27.1 Å²	27.1	25%	0.247	14%	0.135	C	C	.	.	S	Bend	trans	-89.3	-47.9	168.1	171.2	-113.3	0	0	0	111.6	T300 H301	Y243-T300 HydrophobicContact CD2-CG2 3.58Å; Y243-T300 HydrophobicContact CE2-CG2 3.7Å; Y243-H301 WeakPolarHBondContact CA-O 3.33Å; Y243-H301 WeakPolarHBondContact CB-O 3.27Å
244	C	96.8	Very high	98	Very high	34 Å²	34	27 Å²	27	23%	0.23	13%	0.133	C	C	.	.			trans	-130.2	139.7	-173.4	-170.3	0	0	0	0	112	N242 N322 L323	N242-C244 PolarHBondContact OD1-N 3.32Å; C244-N322 HydrophobicContact CB-CB 4.13Å; C244-N322 PolarHBondContact N-OD1 2.82Å; C244-L323 PolarHBondContact O-N 3.2Å
245	F	97.4	Very high	97.9	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.057	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-138.4	137.6	-173	-57.2	-99.5	0	0	0	111.7	Q240 N242 I247 M250 I265 H267 L277 L323	Q240-F245 HydrophobicContact CB-CE1 4.23Å; N242-F245 HydrophobicContact CB-CD1 4.27Å; N242-F245 HydrophobicContact CB-CD2 4.36Å; N242-F245 HydrophobicContact CB-CE1 3.59Å; N242-F245 HydrophobicContact CB-CE2 3.68Å; N242-F245 HydrophobicContact CB-CZ 3.25Å; F245-I247 HydrophobicContact CB-CD1 3.87Å; F245-I247 HydrophobicContact CD1-CD1 4.26Å; F245-I247 HydrophobicContact CG-CD1 4.33Å; F245-M250 HydrophobicContact CD1-SD 4.5Å; F245-I265 HydrophobicContact CD1-CD1 4.24Å; F245-I265 HydrophobicContact CD1-CG2 4.05Å; F245-I265 HydrophobicContact CD2-CG2 4.27Å; F245-I265 HydrophobicContact CE1-CD1 4.04Å; F245-I265 HydrophobicContact CE1-CG2 3.64Å; F245-I265 HydrophobicContact CE2-CG2 3.89Å; F245-I265 HydrophobicContact CG-CG2 4.35Å; F245-I265 HydrophobicContact CZ-CG2 3.54Å; F245-H267 HydrophobicContact CE2-CB 3.89Å; F245-L277 HydrophobicContact CB-CD1 3.9Å; F245-L277 HydrophobicContact CD2-CD1 4.22Å; F245-L277 HydrophobicContact CD2-CD2 4.44Å; F245-L277 HydrophobicContact CG-CD1 4.3Å; F245-L323 HydrophobicContact CD1-CB 4.01Å; F245-L323 HydrophobicContact CD1-CD1 3.76Å; F245-L323 HydrophobicContact CD1-CG 4.5Å; F245-L323 HydrophobicContact CE1-CD1 3.64Å
246	D	98	Very high	97.8	Very high	59 Å²	59	29 Å²	29	32%	0.316	15%	0.149	S	C	.	.			trans	-112.2	98.4	157.7	174.7	-22.1	0	0	0	105.8	P248 W249 M250 L323 I324	D246-P248 WeakPolarHBondContact OD1-CD 3.3Å; D246-W249 HydrophobicContact CB-CB 3.89Å; D246-W249 PolarHBondContact O-N 2.95Å; D246-W249 WeakPolarHBondContact OD1-CB 3.48Å; D246-W249 PolarHBondContact OD1-N 3.34Å; D246-M250 VanDerWaalsContact O-CB 3.29Å; D246-M250 WeakPolarHBondContact O-CB 3.23Å; D246-M250 PolarHBondContact O-N 2.8Å; D246-L323 PolarHBondContact N-O 3.16Å; D246-I324 HydrophobicContact CB-CG2 3.96Å
247	I	98.3	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-45.7	-173.2	-53.7	-65.2	0	0	0	111.4	F245 W249 M250 V251 I265 L277 Q280 F284 V287 F289	F245-I247 HydrophobicContact CB-CD1 3.87Å; F245-I247 HydrophobicContact CD1-CD1 4.26Å; F245-I247 HydrophobicContact CG-CD1 4.33Å; I247-W249 VanDerWaalsContact C-N 3.31Å; I247-W249 PolarHBondContact O-N 3.24Å; I247-M250 HydrophobicContact CD1-CE 4.42Å; I247-M250 HydrophobicContact CD1-SD 4.44Å; I247-M250 HydrophobicContact CG2-CE 4.39Å; I247-M250 PolarHBondContact O-N 3.48Å; I247-V251 HydrophobicContact CG2-CG2 4.12Å; I247-V251 WeakPolarHBondContact O-CG2 3.31Å; I247-V251 PolarHBondContact O-N 2.83Å; I247-I265 HydrophobicContact CD1-CD1 4Å; I247-I265 HydrophobicContact CD1-CG1 4.1Å; I247-L277 HydrophobicContact CD1-CD1 4.14Å; I247-L277 HydrophobicContact CG1-CD1 4.11Å; I247-Q280 HydrophobicContact CB-CB 4.08Å; I247-Q280 HydrophobicContact CG1-CB 4.01Å; I247-F284 HydrophobicContact CG2-CD2 3.76Å; I247-F284 HydrophobicContact CG2-CE2 4.14Å; I247-V287 HydrophobicContact CG2-CG1 4.4Å; I247-V287 HydrophobicContact CG2-CG2 4.4Å; I247-F289 HydrophobicContact CD1-CE1 4.39Å
248	P	97.9	Very high	97.6	Very high	44 Å²	44	29.3 Å²	29.3	29%	0.286	15%	0.152	S	C	.	.	H	α-helix	trans	-57.5	-34.9	172.9	-25.7	33.5	0	0	0	115.1	D246 K252 F284	D246-P248 WeakPolarHBondContact OD1-CD 3.3Å; P248-K252 VanDerWaalsContact O-CD 3.3Å; P248-K252 WeakPolarHBondContact O-CD 3.46Å; P248-K252 VanDerWaalsContact O-CG 3.25Å; P248-K252 WeakPolarHBondContact O-CG 3.45Å; P248-F284 HydrophobicContact CB-CE2 4.39Å; P248-F284 HydrophobicContact CB-CZ 4.29Å; P248-F284 HydrophobicContact CG-CE2 4.06Å; P248-F284 HydrophobicContact CG-CZ 4.42Å
249	W	97.3	Very high	97.5	Very high	27 Å²	27	34.6 Å²	34.6	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-73.4	-44.3	172.8	174.4	85.1	0	0	0	111.7	I224 D246 I247 K252 Q253 L323 R325 W328	I224-W249 HydrophobicContact CD1-CH2 4.43Å; I224-W249 HydrophobicContact CG2-CH2 3.82Å; I224-W249 HydrophobicContact CG2-CZ2 4.15Å; D246-W249 HydrophobicContact CB-CB 3.89Å; D246-W249 PolarHBondContact O-N 2.95Å; D246-W249 WeakPolarHBondContact OD1-CB 3.48Å; D246-W249 PolarHBondContact OD1-N 3.34Å; I247-W249 VanDerWaalsContact C-N 3.31Å; I247-W249 PolarHBondContact O-N 3.24Å; W249-K252 WeakPolarHBondContact O-CB 3.33Å; W249-K252 PolarHBondContact O-N 3.44Å; W249-Q253 HydrophobicContact CD2-CG 4.24Å; W249-Q253 HydrophobicContact CE3-CG 4.34Å; W249-Q253 HydrophobicContact CH2-CG 3.93Å; W249-Q253 HydrophobicContact CZ2-CG 3.83Å; W249-Q253 HydrophobicContact CZ3-CG 4.17Å; W249-Q253 WeakPolarHBondContact O-CG 3.37Å; W249-Q253 PolarHBondContact O-N 3.08Å; W249-Q253 PolarHBondContact O-NE2 3.17Å; W249-L323 HydrophobicContact CZ3-CB 4.44Å; W249-L323 HydrophobicContact CZ3-CD2 4.44Å; W249-R325 HydrophobicContact CD2-CB 4.47Å; W249-R325 HydrophobicContact CG-CB 4.39Å; W249-W328 HydrophobicContact CH2-CB 4.4Å; W249-W328 AromaticContact CH2-CD1 3.42Å; W249-W328 VanDerWaalsContact CH2-CD1 3.42Å; W249-W328 AromaticContact CH2-CG 3.94Å; W249-W328 HydrophobicContact CH2-CG 3.94Å; W249-W328 AromaticContact CH2-NE1 3.91Å; W249-W328 HydrophobicContact CZ2-CB 4.35Å; W249-W328 HydrophobicContact CZ2-CG 4.37Å
250	M	98.1	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-49.3	-177.9	-177.5	-154.4	73.5	0	0	111.4	Q240 F245 D246 I247 K252 Q253 F254 V263 I265 L323	Q240-M250 HydrophobicContact CG-SD 4.24Å; F245-M250 HydrophobicContact CD1-SD 4.5Å; D246-M250 VanDerWaalsContact O-CB 3.29Å; D246-M250 WeakPolarHBondContact O-CB 3.23Å; D246-M250 PolarHBondContact O-N 2.8Å; I247-M250 HydrophobicContact CD1-CE 4.42Å; I247-M250 HydrophobicContact CD1-SD 4.44Å; I247-M250 HydrophobicContact CG2-CE 4.39Å; I247-M250 PolarHBondContact O-N 3.48Å; M250-K252 PolarHBondContact O-N 3.48Å; M250-Q253 WeakPolarHBondContact O-CB 3.14Å; M250-Q253 PolarHBondContact O-N 3.16Å; M250-F254 HydrophobicContact CE-CE2 4.35Å; M250-F254 HydrophobicContact CG-CE2 4.43Å; M250-F254 WeakPolarHBondContact O-CD2 3.42Å; M250-V263 HydrophobicContact CE-CG1 4.14Å; M250-I265 HydrophobicContact CE-CD1 3.97Å; M250-I265 HydrophobicContact SD-CD1 3.76Å; M250-L323 HydrophobicContact CG-CB 4.47Å; M250-L323 HydrophobicContact CG-CD1 4.41Å; M250-L323 HydrophobicContact CG-CD2 4.42Å; M250-L323 HydrophobicContact SD-CD1 4.16Å
251	V	97.9	Very high	97.3	Very high	10 Å²	10	41.5 Å²	41.5	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-34.8	178.2	174.8	0	0	0	0	111.2	I247 Q253 F254 R259 F284 V287	I247-V251 HydrophobicContact CG2-CG2 4.12Å; I247-V251 WeakPolarHBondContact O-CG2 3.31Å; I247-V251 PolarHBondContact O-N 2.83Å; V251-Q253 PolarHBondContact O-N 2.65Å; V251-F254 PolarHBondContact O-N 2.7Å; V251-R259 HydrophobicContact CG1-CG 4.34Å; V251-R259 WeakPolarHBondContact O-CG 3.34Å; V251-F284 HydrophobicContact CB-CD1 4.24Å; V251-F284 HydrophobicContact CB-CE1 4.08Å; V251-F284 HydrophobicContact CG1-CD1 3.92Å; V251-F284 HydrophobicContact CG1-CE1 3.89Å; V251-F284 HydrophobicContact CG2-CD1 3.94Å; V251-F284 HydrophobicContact CG2-CD2 4.46Å; V251-F284 HydrophobicContact CG2-CE1 4.19Å; V251-F284 HydrophobicContact CG2-CG 4.08Å; V251-V287 HydrophobicContact CG2-CG2 4.3Å
252	K	96.9	Very high	97.3	Very high	135 Å²	135	44 Å²	44	59%	0.587	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.3	175.6	-70.6	171.9	-174.4	176.7	0	114.5	P248 W249 M250	P248-K252 VanDerWaalsContact O-CD 3.3Å; P248-K252 WeakPolarHBondContact O-CD 3.46Å; P248-K252 VanDerWaalsContact O-CG 3.25Å; P248-K252 WeakPolarHBondContact O-CG 3.45Å; W249-K252 WeakPolarHBondContact O-CB 3.33Å; W249-K252 PolarHBondContact O-N 3.44Å; M250-K252 PolarHBondContact O-N 3.48Å
253	Q	96.8	Very high	97.3	Very high	9 Å²	9	44 Å²	44	4%	0.042	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-18.4	175	-49.5	-41.5	-50	0	0	113.2	I224 R225 L228 W249 M250 V251	I224-Q253 HydrophobicContact CD1-CB 4.37Å; I224-Q253 HydrophobicContact CG1-CB 4.13Å; I224-Q253 HydrophobicContact CG2-CB 3.93Å; I224-Q253 HydrophobicContact CG2-CG 3.73Å; R225-Q253 HydrophobicContact CG-CB 4.36Å; L228-Q253 HydrophobicContact CD1-CB 4.27Å; W249-Q253 HydrophobicContact CD2-CG 4.24Å; W249-Q253 HydrophobicContact CE3-CG 4.34Å; W249-Q253 HydrophobicContact CH2-CG 3.93Å; W249-Q253 HydrophobicContact CZ2-CG 3.83Å; W249-Q253 HydrophobicContact CZ3-CG 4.17Å; W249-Q253 WeakPolarHBondContact O-CG 3.37Å; W249-Q253 PolarHBondContact O-N 3.08Å; W249-Q253 PolarHBondContact O-NE2 3.17Å; M250-Q253 WeakPolarHBondContact O-CB 3.14Å; M250-Q253 PolarHBondContact O-N 3.16Å; V251-Q253 PolarHBondContact O-N 2.65Å
254	F	97.4	Very high	97.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-69.5	144.2	168.7	-68.5	-99.6	0	0	0	110	L228 L235 M250 V251 F258 R259 V263	L228-F254 HydrophobicContact CD1-CD1 4.03Å; L228-F254 HydrophobicContact CD1-CD2 3.9Å; L228-F254 HydrophobicContact CD1-CE1 4.04Å; L228-F254 HydrophobicContact CD1-CE2 3.91Å; L228-F254 HydrophobicContact CD1-CG 3.96Å; L228-F254 HydrophobicContact CD1-CZ 3.98Å; L228-F254 HydrophobicContact CD2-CD1 4.32Å; L228-F254 HydrophobicContact CD2-CE1 3.9Å; L228-F254 HydrophobicContact CD2-CZ 4.25Å; L235-F254 HydrophobicContact CD2-CD1 3.92Å; L235-F254 HydrophobicContact CD2-CE1 3.7Å; M250-F254 HydrophobicContact CE-CE2 4.35Å; M250-F254 HydrophobicContact CG-CE2 4.43Å; M250-F254 WeakPolarHBondContact O-CD2 3.42Å; V251-F254 PolarHBondContact O-N 2.7Å; F254-F258 HydrophobicContact CD1-CB 4.38Å; F254-R259 HydrophobicContact CB-CG 3.9Å; F254-R259 PolarHBondContact O-NE 3.4Å; F254-R259 PolarHBondContact O-NH2 3.41Å; F254-V263 HydrophobicContact CE1-CG2 4.39Å; F254-V263 HydrophobicContact CE2-CG2 4.44Å; F254-V263 HydrophobicContact CZ-CG2 3.96Å
255	P	95.7	Very high	97.4	Very high	19 Å²	19	39.7 Å²	39.7	12%	0.123	20%	0.2	C	C	.	.			trans	-53.8	151.6	164.6	-24.6	33.7	0	0	0	111.9	L228 P230 E257 F258 R259	L228-P255 WeakPolarHBondContact O-CD 3.35Å; L228-P255 WeakPolarHBondContact O-CG 3.44Å; P230-P255 HydrophobicContact CG-CB 4.36Å; P230-P255 HydrophobicContact CG-CG 4.23Å; P255-E257 HydrophobicContact CB-CG 3.83Å; P255-E257 WeakPolarHBondContact CB-OE2 3.47Å; P255-E257 PolarHBondContact O-N 3.18Å; P255-F258 HydrophobicContact CB-CD2 4.18Å; P255-F258 HydrophobicContact CG-CD2 3.79Å; P255-F258 HydrophobicContact CG-CE2 4.26Å; P255-F258 PolarHBondContact O-N 3.36Å; P255-R259 WeakPolarHBondContact O-CG 3.34Å; P255-R259 PolarHBondContact O-N 3.06Å
256	S	95.9	Very high	97.5	Very high	83 Å²	83	39 Å²	39	58%	0.58	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-46.6	178.2	11.3	0	0	0	0	113.4	F258	S256-F258 VanDerWaalsContact C-N 3.32Å; S256-F258 PolarHBondContact O-N 2.94Å
257	E	96.4	Very high	97.5	Very high	94 Å²	94	36.3 Å²	36.3	44%	0.439	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.9	179.8	52.7	-89.2	-136.8	0	0	113.1	P230 P255 H260	P230-E257 HydrophobicContact CG-CG 4.33Å; P230-E257 VanDerWaalsContact CG-OE1 3.31Å; P230-E257 WeakPolarHBondContact CG-OE1 3.1Å; P255-E257 HydrophobicContact CB-CG 3.83Å; P255-E257 WeakPolarHBondContact CB-OE2 3.47Å; P255-E257 PolarHBondContact O-N 3.18Å; E257-H260 PolarHBondContact O-CE1 3.23Å; E257-H260 PolarHBondContact O-ND1 2.91Å
258	F	97.9	Very high	97.5	Very high	15 Å²	15	36.8 Å²	36.8	7%	0.066	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-5.7	-179.8	-55.7	-26.3	0	0	0	114.2	P230 T234 L235 F254 P255 S256 H260 C261	P230-F258 HydrophobicContact CB-CE2 3.98Å; P230-F258 HydrophobicContact CB-CZ 3.81Å; P230-F258 HydrophobicContact CG-CE2 3.8Å; P230-F258 HydrophobicContact CG-CZ 3.91Å; T234-F258 HydrophobicContact CG2-CE1 4.38Å; L235-F258 HydrophobicContact CB-CB 4.41Å; L235-F258 HydrophobicContact CB-CD1 4.09Å; L235-F258 HydrophobicContact CB-CD2 3.69Å; L235-F258 HydrophobicContact CB-CE1 4.29Å; L235-F258 HydrophobicContact CB-CE2 3.89Å; L235-F258 HydrophobicContact CB-CG 3.82Å; L235-F258 HydrophobicContact CB-CZ 4.21Å; L235-F258 HydrophobicContact CD2-CB 4.28Å; L235-F258 HydrophobicContact CD2-CD2 4.48Å; F254-F258 HydrophobicContact CD1-CB 4.38Å; P255-F258 HydrophobicContact CB-CD2 4.18Å; P255-F258 HydrophobicContact CG-CD2 3.79Å; P255-F258 HydrophobicContact CG-CE2 4.26Å; P255-F258 PolarHBondContact O-N 3.36Å; S256-F258 VanDerWaalsContact C-N 3.32Å; S256-F258 PolarHBondContact O-N 2.94Å; F258-H260 PolarHBondContact O-N 3.07Å; F258-C261 WeakPolarHBondContact O-CB 3.33Å; F258-C261 PolarHBondContact O-N 2.82Å; F258-C261 VanDerWaalsContact O-N 3.11Å
259	R	95.9	Very high	97.5	Very high	112 Å²	112	36.8 Å²	36.8	42%	0.423	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.1	179.2	-84.9	173.7	-156.8	151.7	13.2	116.1	V251 F254 P255 H286	V251-R259 HydrophobicContact CG1-CG 4.34Å; V251-R259 WeakPolarHBondContact O-CG 3.34Å; F254-R259 HydrophobicContact CB-CG 3.9Å; F254-R259 PolarHBondContact O-NE 3.4Å; F254-R259 PolarHBondContact O-NH2 3.41Å; P255-R259 WeakPolarHBondContact O-CG 3.34Å; P255-R259 PolarHBondContact O-N 3.06Å; R259-H286 PolarHBondContact O-CE1 2.83Å; R259-H286 PolarHBondContact O-NE2 2.84Å
260	H	95.5	Very high	97.3	Very high	133 Å²	133	40.3 Å²	40.3	62%	0.616	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-7.2	178.5	72.4	-82.4	0	0	0	113.1	E257 F258	E257-H260 PolarHBondContact O-CE1 3.23Å; E257-H260 PolarHBondContact O-ND1 2.91Å; F258-H260 PolarHBondContact O-N 3.07Å
261	C	98	Very high	97.2	Very high	14 Å²	14	50.3 Å²	50.3	10%	0.095	24%	0.239	C	C	.	.	S	Bend	trans	-64.9	146.4	174.5	-57.5	0	0	0	0	109.7	L235 K236 F258 H286	L235-C261 PolarHBondContact O-SG 3.46Å; K236-C261 WeakPolarHBondContact O-CB 3.29Å; F258-C261 WeakPolarHBondContact O-CB 3.33Å; F258-C261 PolarHBondContact O-N 2.82Å; F258-C261 VanDerWaalsContact O-N 3.11Å; C261-H286 PolarHBondContact O-CD2 2.86Å
262	P	98.6	Very high	97.1	Very high	53 Å²	53	55.6 Å²	55.6	34%	0.344	26%	0.263	S	S	.	.			trans	-66.8	145.5	-176.8	-11.6	24.5	0	0	0	112.3	K236 E237 S238 H286	K236-P262 WeakPolarHBondContact O-CD 3.46Å; E237-P262 HydrophobicContact CG-CB 3.7Å; E237-P262 HydrophobicContact CG-CG 4.04Å; E237-P262 WeakPolarHBondContact CG-O 3.35Å; S238-P262 PolarHBondContact N-O 2.91Å; S238-P262 VanDerWaalsContact N-O 3.08Å; P262-H286 WeakPolarHBondContact CA-O 3.19Å
263	V	98.7	Very high	97	Very high	4 Å²	4	50 Å²	50	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.7	-179.4	-175.1	0	0	0	0	109.4	S238 Q240 M250 F254 I265 H286 V287 R288	S238-V263 CarbonylContact O-C 3.44Å; S238-V263 WeakPolarHBondContact O-CA 3.37Å; Q240-V263 HydrophobicContact CG-CG1 3.76Å; M250-V263 HydrophobicContact CE-CG1 4.14Å; F254-V263 HydrophobicContact CE1-CG2 4.39Å; F254-V263 HydrophobicContact CE2-CG2 4.44Å; F254-V263 HydrophobicContact CZ-CG2 3.96Å; V263-I265 HydrophobicContact CG1-CD1 3.93Å; V263-H286 PolarHBondContact N-O 3.1Å; V263-V287 HydrophobicContact CB-CG2 4.49Å; V263-V287 CarbonylContact O-C 3.59Å; V263-V287 WeakPolarHBondContact O-CA 3.44Å; V263-R288 PolarHBondContact O-N 3.45Å
264	L	98.8	Very high	97.1	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.1	173.4	-178.4	65.2	0	0	0	110.9	S238 V239 Q240 V266 R288 C290 E374 L375	S238-L264 PolarHBondContact O-N 3.26Å; V239-L264 CarbonylContact C-O 3.57Å; V239-L264 WeakPolarHBondContact CA-O 3.46Å; V239-L264 HydrophobicContact CB-CB 4.48Å; V239-L264 HydrophobicContact CG1-CB 4.08Å; V239-L264 HydrophobicContact CG1-CD2 4.12Å; V239-L264 HydrophobicContact CG1-CG 4.17Å; V239-L264 WeakPolarHBondContact CG1-O 3.24Å; V239-L264 HydrophobicContact CG2-CB 4.26Å; V239-L264 HydrophobicContact CG2-CD2 4.34Å; Q240-L264 PolarHBondContact N-O 2.69Å; L264-V266 HydrophobicContact CD2-CG2 4.44Å; L264-V266 HydrophobicContact CG-CG2 4.35Å; L264-R288 HydrophobicContact CD1-CB 3.82Å; L264-C290 HydrophobicContact CD1-CB 3.87Å; L264-C290 HydrophobicContact CD2-CB 4.43Å; L264-C290 HydrophobicContact CG-CB 4.26Å; L264-E374 HydrophobicContact CD1-CB 4.22Å; L264-E374 HydrophobicContact CD2-CB 4.02Å; L264-E374 WeakPolarHBondContact CD2-O 3.29Å; L264-L375 HydrophobicContact CD2-CD2 3.9Å
265	I	98.9	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.9	178.1	-58	-57	0	0	0	109.7	Q240 F245 I247 M250 V263 H267 L277 V287 R288 F289 C290	Q240-I265 HydrophobicContact CB-CD1 4.05Å; F245-I265 HydrophobicContact CD1-CD1 4.24Å; F245-I265 HydrophobicContact CD1-CG2 4.05Å; F245-I265 HydrophobicContact CD2-CG2 4.27Å; F245-I265 HydrophobicContact CE1-CD1 4.04Å; F245-I265 HydrophobicContact CE1-CG2 3.64Å; F245-I265 HydrophobicContact CE2-CG2 3.89Å; F245-I265 HydrophobicContact CG-CG2 4.35Å; F245-I265 HydrophobicContact CZ-CG2 3.54Å; I247-I265 HydrophobicContact CD1-CD1 4Å; I247-I265 HydrophobicContact CD1-CG1 4.1Å; M250-I265 HydrophobicContact CE-CD1 3.97Å; M250-I265 HydrophobicContact SD-CD1 3.76Å; V263-I265 HydrophobicContact CG1-CD1 3.93Å; I265-H267 HydrophobicContact CG2-CB 4.49Å; I265-L277 HydrophobicContact CG2-CD2 4.46Å; I265-V287 HydrophobicContact CD1-CG1 4.15Å; I265-V287 HydrophobicContact CG1-CG1 3.46Å; I265-V287 VanDerWaalsContact CG1-CG1 3.46Å; I265-R288 WeakPolarHBondContact CB-O 3.47Å; I265-R288 PolarHBondContact N-O 3.1Å; I265-F289 HydrophobicContact CB-CD1 3.61Å; I265-F289 HydrophobicContact CB-CE1 3.85Å; I265-F289 HydrophobicContact CB-CG 4.33Å; I265-F289 HydrophobicContact CG1-CD1 4.11Å; I265-F289 HydrophobicContact CG1-CE1 3.88Å; I265-F289 HydrophobicContact CG1-CZ 4.41Å; I265-F289 HydrophobicContact CG2-CD1 3.7Å; I265-F289 HydrophobicContact CG2-CE1 3.84Å; I265-F289 WeakPolarHBondContact O-CA 3.33Å; I265-C290 PolarHBondContact O-N 2.64Å
266	V	98.9	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.2	176.1	-174.4	0	0	0	0	109.7	V239 Q240 F241 N242 L264 C290 H301 Y370 L375	V239-V266 HydrophobicContact CG1-CG2 3.51Å; Q240-V266 PolarHBondContact O-N 3.34Å; F241-V266 HydrophobicContact CB-CB 4.42Å; F241-V266 HydrophobicContact CD1-CB 3.58Å; F241-V266 HydrophobicContact CD1-CG1 3.57Å; F241-V266 HydrophobicContact CD1-CG2 3.93Å; F241-V266 HydrophobicContact CD2-CG2 4.48Å; F241-V266 HydrophobicContact CE1-CB 3.91Å; F241-V266 HydrophobicContact CE1-CG1 3.76Å; F241-V266 HydrophobicContact CE1-CG2 3.78Å; F241-V266 HydrophobicContact CE2-CG2 4.33Å; F241-V266 HydrophobicContact CG-CB 3.96Å; F241-V266 HydrophobicContact CG-CG1 4.42Å; F241-V266 HydrophobicContact CG-CG2 4.27Å; F241-V266 HydrophobicContact CZ-CG2 3.97Å; N242-V266 PolarHBondContact N-O 3.04Å; N242-V266 VanDerWaalsContact N-O 3.1Å; L264-V266 HydrophobicContact CD2-CG2 4.44Å; L264-V266 HydrophobicContact CG-CG2 4.35Å; V266-C290 WeakPolarHBondContact CA-O 3.24Å; V266-C290 HydrophobicContact CG2-CB 4.04Å; V266-H301 PolarHBondContact O-CE1 3.23Å; V266-H301 VanDerWaalsContact O-CE1 3.25Å; V266-Y370 HydrophobicContact CG1-CD1 4.15Å; V266-Y370 HydrophobicContact CG1-CE1 3.61Å; V266-L375 HydrophobicContact CG2-CD2 4.12Å
267	H	98.8	Very high	97.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.3	-168.6	72.9	85.1	0	0	0	113.4	F245 I265 D269 L277 C290 A292	F245-H267 HydrophobicContact CE2-CB 3.89Å; I265-H267 HydrophobicContact CG2-CB 4.49Å; H267-D269 PolarHBondContact ND1-N 3.16Å; H267-L277 HydrophobicContact CB-CD2 3.7Å; H267-L277 VanDerWaalsContact CG-CD2 3.44Å; H267-C290 PolarHBondContact CD2-O 3.46Å; H267-C290 PolarHBondContact N-O 2.96Å; H267-A292 PolarHBondContact O-N 2.77Å
268	G	98.1	Very high	97.3	Very high	11 Å²	11	54.1 Å²	54.1	11%	0.113	26%	0.257	C	S	.	.			trans	-95.4	-12	174.2	0	0	0	0	0	115.2	H301	G268-H301 VanDerWaalsContact CA-CB 3.43Å
269	D	96.3	Very high	97.3	Very high	43 Å²	43	60.1 Å²	60.1	23%	0.23	29%	0.285	C	S	.	.			trans	-51.4	138.6	-173	-94.9	-1.2	0	0	0	114	H267 A273 K274 L277 Q291	H267-D269 PolarHBondContact ND1-N 3.16Å; D269-A273 HydrophobicContact CB-CB 4Å; D269-A273 VanDerWaalsContact CG-CB 3.43Å; D269-A273 WeakPolarHBondContact OD1-CB 3.47Å; D269-K274 HydrophobicContact CB-CB 4.39Å; D269-L277 HydrophobicContact CB-CD2 4.43Å; D269-Q291 PolarHBondContact O-NE2 3.34Å
270	K	94.8	Very high	97.4	Very high	101 Å²	101	56.9 Å²	56.9	44%	0.439	27%	0.274	S	S	.	.			trans	-122.6	166.4	176.6	-61.5	-172.7	-179	-174.8	0	110.8	E272 A273 K274 L294	K270-E272 PolarHBondContact O-N 2.94Å; K270-A273 WeakPolarHBondContact O-CB 3.41Å; K270-A273 PolarHBondContact O-N 3.47Å; K270-K274 PolarHBondContact O-N 2.82Å; K270-K274 VanDerWaalsContact O-N 3.15Å; K270-L294 PolarHBondContact NZ-O 3.47Å
271	R	95.3	Very high	97.5	Very high	210 Å²	210	50.7 Å²	50.7	79%	0.792	25%	0.247	S	C	*	.	H	α-helix	trans	45.4	-124.1	171.8	-56.9	-178.6	-178.5	167.4	-0.8	112.8	A273 K274 A275	R271-A273 VanDerWaalsContact C-N 3.26Å; R271-A273 PolarHBondContact O-N 2.86Å; R271-K274 PolarHBondContact O-N 3.26Å; R271-A275 PolarHBondContact O-N 2.84Å
272	E	95.8	Very high	97.5	Very high	122 Å²	122	57.2 Å²	57.2	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-69.4	-23.5	-175.3	-47	71.8	-154.2	0	0	112.3	K270 R276	K270-E272 PolarHBondContact O-N 2.94Å; E272-R276 VanDerWaalsContact O-CG 3.26Å; E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 3.01Å; E272-R276 VanDerWaalsContact O-N 3.15Å; E272-R276 PolarHBondContact O-NE 3.46Å; E272-R276 PolarHBondContact O-NH1 2.88Å
273	A	95.1	Very high	97.4	Very high	18 Å²	18	59.1 Å²	59.1	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-49.3	172.8	0	0	0	0	0	110.3	D269 K270 R271 A275 R276 L277	D269-A273 HydrophobicContact CB-CB 4Å; D269-A273 VanDerWaalsContact CG-CB 3.43Å; D269-A273 WeakPolarHBondContact OD1-CB 3.47Å; K270-A273 WeakPolarHBondContact O-CB 3.41Å; K270-A273 PolarHBondContact O-N 3.47Å; R271-A273 VanDerWaalsContact C-N 3.26Å; R271-A273 PolarHBondContact O-N 2.86Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 3.39Å; A273-R276 PolarHBondContact O-N 3.14Å; A273-R276 VanDerWaalsContact O-N 3.1Å; A273-L277 PolarHBondContact O-N 3.21Å
274	K	97.6	Very high	97.4	Very high	68 Å²	68	60.9 Å²	60.9	30%	0.296	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-45.9	173.6	-177.1	176.5	-178	179.5	0	111.3	D269 K270 R271 R276 L277 L278	D269-K274 HydrophobicContact CB-CB 4.39Å; K270-K274 PolarHBondContact O-N 2.82Å; K270-K274 VanDerWaalsContact O-N 3.15Å; R271-K274 PolarHBondContact O-N 3.26Å; K274-R276 VanDerWaalsContact C-N 3.34Å; K274-R276 PolarHBondContact O-N 2.99Å; K274-L277 PolarHBondContact O-N 3.21Å; K274-L278 HydrophobicContact CG-CD1 3.98Å; K274-L278 HydrophobicContact CG-CG 4.26Å; K274-L278 WeakPolarHBondContact O-CG 3.48Å; K274-L278 PolarHBondContact O-N 2.79Å
275	A	97.7	Very high	97.3	Very high	57 Å²	57	66.6 Å²	66.6	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-57.7	-44	177.6	0	0	0	0	0	112.5	R271 A273 Q279	R271-A275 PolarHBondContact O-N 2.84Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 3.39Å; A275-Q279 WeakPolarHBondContact O-CB 3.29Å; A275-Q279 PolarHBondContact O-N 3.46Å
276	R	97.9	Very high	97.3	Very high	109 Å²	109	68.4 Å²	68.4	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-71.3	-28	177.1	-68.5	178.9	-54.7	-107.9	4.3	113.7	E272 A273 K274 Q280	E272-R276 VanDerWaalsContact O-CG 3.26Å; E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 3.01Å; E272-R276 VanDerWaalsContact O-N 3.15Å; E272-R276 PolarHBondContact O-NE 3.46Å; E272-R276 PolarHBondContact O-NH1 2.88Å; A273-R276 PolarHBondContact O-N 3.14Å; A273-R276 VanDerWaalsContact O-N 3.1Å; K274-R276 VanDerWaalsContact C-N 3.34Å; K274-R276 PolarHBondContact O-N 2.99Å; R276-Q280 WeakPolarHBondContact O-CG 3.44Å; R276-Q280 PolarHBondContact O-N 2.87Å; R276-Q280 PolarHBondContact O-NE2 2.92Å; R276-Q280 VanDerWaalsContact O-NE2 3.12Å
277	L	97.8	Very high	97.3	Very high	4 Å²	4	69 Å²	69	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-71.4	-48.7	173.5	-179.2	58.3	0	0	0	110.7	F245 I247 I265 H267 D269 A273 K274 Q279 Q280 G281 F289	F245-L277 HydrophobicContact CB-CD1 3.9Å; F245-L277 HydrophobicContact CD2-CD1 4.22Å; F245-L277 HydrophobicContact CD2-CD2 4.44Å; F245-L277 HydrophobicContact CG-CD1 4.3Å; I247-L277 HydrophobicContact CD1-CD1 4.14Å; I247-L277 HydrophobicContact CG1-CD1 4.11Å; I265-L277 HydrophobicContact CG2-CD2 4.46Å; H267-L277 HydrophobicContact CB-CD2 3.7Å; H267-L277 VanDerWaalsContact CG-CD2 3.44Å; D269-L277 HydrophobicContact CB-CD2 4.43Å; A273-L277 PolarHBondContact O-N 3.21Å; K274-L277 PolarHBondContact O-N 3.21Å; L277-Q279 VanDerWaalsContact C-N 3.29Å; L277-Q279 PolarHBondContact O-N 2.97Å; L277-Q280 WeakPolarHBondContact O-CB 3.33Å; L277-Q280 PolarHBondContact O-N 3.02Å; L277-Q280 VanDerWaalsContact O-N 3.16Å; L277-G281 PolarHBondContact O-N 2.96Å; L277-F289 HydrophobicContact CD1-CE1 4.05Å; L277-F289 HydrophobicContact CD2-CD1 4.29Å; L277-F289 HydrophobicContact CD2-CE1 4.33Å; L277-F289 HydrophobicContact CG-CD1 4.12Å; L277-F289 HydrophobicContact CG-CE1 3.74Å
278	L	97.9	Very high	97.3	Very high	57 Å²	57	75.1 Å²	75.1	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-62.1	-35.1	175.6	-65.6	177.8	0	0	0	112.6	K274 G281 Q282 F289	K274-L278 HydrophobicContact CG-CD1 3.98Å; K274-L278 HydrophobicContact CG-CG 4.26Å; K274-L278 WeakPolarHBondContact O-CG 3.48Å; K274-L278 PolarHBondContact O-N 2.79Å; L278-G281 PolarHBondContact O-N 3.48Å; L278-Q282 PolarHBondContact O-N 2.87Å; L278-Q282 PolarHBondContact O-NE2 2.87Å; L278-F289 HydrophobicContact CD2-CB 3.85Å; L278-F289 HydrophobicContact CD2-CD1 4.03Å; L278-F289 HydrophobicContact CD2-CD2 3.5Å; L278-F289 VanDerWaalsContact CD2-CD2 3.5Å; L278-F289 HydrophobicContact CD2-CE2 4.04Å; L278-F289 HydrophobicContact CD2-CG 3.5Å
279	Q	98	Very high	97.3	Very high	141 Å²	141	76.6 Å²	76.6	66%	0.659	37%	0.372	S	S	*	.	H	α-helix	trans	-62.7	-40.4	174.4	-171	-179.7	25.2	0	0	112.2	A275 L277 G281 Q282	A275-Q279 WeakPolarHBondContact O-CB 3.29Å; A275-Q279 PolarHBondContact O-N 3.46Å; L277-Q279 VanDerWaalsContact C-N 3.29Å; L277-Q279 PolarHBondContact O-N 2.97Å; Q279-G281 PolarHBondContact O-N 2.84Å; Q279-Q282 PolarHBondContact O-N 2.85Å
280	Q	97.6	Very high	97.4	Very high	43 Å²	43	74.6 Å²	74.6	20%	0.201	36%	0.361	C	S	.	.	H	α-helix	trans	-67.4	-24.9	175.2	-72.7	173.5	87.1	0	0	113	I247 R276 L277 P283	I247-Q280 HydrophobicContact CB-CB 4.08Å; I247-Q280 HydrophobicContact CG1-CB 4.01Å; R276-Q280 WeakPolarHBondContact O-CG 3.44Å; R276-Q280 PolarHBondContact O-N 2.87Å; R276-Q280 PolarHBondContact O-NE2 2.92Å; R276-Q280 VanDerWaalsContact O-NE2 3.12Å; L277-Q280 WeakPolarHBondContact O-CB 3.33Å; L277-Q280 PolarHBondContact O-N 3.02Å; L277-Q280 VanDerWaalsContact O-N 3.16Å; Q280-P283 WeakPolarHBondContact O-CD 3.33Å
281	G	97.3	Very high	97.6	Very high	4 Å²	4	72.8 Å²	72.8	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-78.4	-21.7	176.1	0	0	0	0	0	115.1	L277 L278 Q279 P283 F284	L277-G281 PolarHBondContact O-N 2.96Å; L278-G281 PolarHBondContact O-N 3.48Å; Q279-G281 PolarHBondContact O-N 2.84Å; G281-P283 VanDerWaalsContact C-CD 3.4Å; G281-P283 VanDerWaalsContact C-N 3.33Å; G281-P283 VanDerWaalsContact O-N 3.15Å; G281-F284 PolarHBondContact O-N 3.36Å
282	Q	97.1	Very high	97.7	Very high	151 Å²	151	62.9 Å²	62.9	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.4	-174	-63.3	-60.7	-70.5	0	0	115.3	L278 Q279 F284	L278-Q282 PolarHBondContact O-N 2.87Å; L278-Q282 PolarHBondContact O-NE2 2.87Å; Q279-Q282 PolarHBondContact O-N 2.85Å; Q282-F284 PolarHBondContact O-N 2.86Å
283	P	98.1	Very high	97.7	Very high	93 Å²	93	61.5 Å²	61.5	60%	0.604	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.4	177.4	-18	33.4	0	0	0	115	Q280 G281	Q280-P283 WeakPolarHBondContact O-CD 3.33Å; G281-P283 VanDerWaalsContact C-CD 3.4Å; G281-P283 VanDerWaalsContact C-N 3.33Å; G281-P283 VanDerWaalsContact O-N 3.15Å
284	F	98.1	Very high	97.8	Very high	40 Å²	40	61.1 Å²	61.1	18%	0.175	31%	0.305	C	S	.	.			trans	-127.9	80	-168.3	-51.4	-76.1	0	0	0	110.6	I247 P248 V251 G281 Q282 H286 V287	I247-F284 HydrophobicContact CG2-CD2 3.76Å; I247-F284 HydrophobicContact CG2-CE2 4.14Å; P248-F284 HydrophobicContact CB-CE2 4.39Å; P248-F284 HydrophobicContact CB-CZ 4.29Å; P248-F284 HydrophobicContact CG-CE2 4.06Å; P248-F284 HydrophobicContact CG-CZ 4.42Å; V251-F284 HydrophobicContact CB-CD1 4.24Å; V251-F284 HydrophobicContact CB-CE1 4.08Å; V251-F284 HydrophobicContact CG1-CD1 3.92Å; V251-F284 HydrophobicContact CG1-CE1 3.89Å; V251-F284 HydrophobicContact CG2-CD1 3.94Å; V251-F284 HydrophobicContact CG2-CD2 4.46Å; V251-F284 HydrophobicContact CG2-CE1 4.19Å; V251-F284 HydrophobicContact CG2-CG 4.08Å; G281-F284 PolarHBondContact O-N 3.36Å; Q282-F284 PolarHBondContact O-N 2.86Å; F284-H286 PolarHBondContact O-N 3.1Å; F284-V287 HydrophobicContact CB-CB 4.19Å; F284-V287 HydrophobicContact CB-CG2 3.55Å; F284-V287 HydrophobicContact CG-CG2 4.48Å; F284-V287 WeakPolarHBondContact O-CB 3.2Å; F284-V287 PolarHBondContact O-N 3.25Å
285	P	97.2	Very high	97.5	Very high	126 Å²	126	64.3 Å²	64.3	82%	0.818	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13	-171.9	25.9	-35.4	0	0	0	114.8	V287	P285-V287 VanDerWaalsContact C-N 3.32Å
286	H	98.1	Very high	97.3	Very high	37 Å²	37	63 Å²	63	17%	0.171	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.9	171.5	60.7	-100	0	0	0	113.2	R259 C261 P262 V263 F284	R259-H286 PolarHBondContact O-CE1 2.83Å; R259-H286 PolarHBondContact O-NE2 2.84Å; C261-H286 PolarHBondContact O-CD2 2.86Å; P262-H286 WeakPolarHBondContact CA-O 3.19Å; V263-H286 PolarHBondContact N-O 3.1Å; F284-H286 PolarHBondContact O-N 3.1Å
287	V	98.6	Very high	97.1	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.3	179.8	-176.4	0	0	0	0	110.1	I247 V251 V263 I265 F284 P285 F289	I247-V287 HydrophobicContact CG2-CG1 4.4Å; I247-V287 HydrophobicContact CG2-CG2 4.4Å; V251-V287 HydrophobicContact CG2-CG2 4.3Å; V263-V287 HydrophobicContact CB-CG2 4.49Å; V263-V287 CarbonylContact O-C 3.59Å; V263-V287 WeakPolarHBondContact O-CA 3.44Å; I265-V287 HydrophobicContact CD1-CG1 4.15Å; I265-V287 HydrophobicContact CG1-CG1 3.46Å; I265-V287 VanDerWaalsContact CG1-CG1 3.46Å; F284-V287 HydrophobicContact CB-CB 4.19Å; F284-V287 HydrophobicContact CB-CG2 3.55Å; F284-V287 HydrophobicContact CG-CG2 4.48Å; F284-V287 WeakPolarHBondContact O-CB 3.2Å; F284-V287 PolarHBondContact O-N 3.25Å; P285-V287 VanDerWaalsContact C-N 3.32Å; V287-F289 HydrophobicContact CG1-CE1 4.43Å; V287-F289 HydrophobicContact CG1-CE2 3.94Å; V287-F289 HydrophobicContact CG1-CZ 3.78Å
288	R	98.4	Very high	96.9	Very high	130 Å²	130	65.5 Å²	65.5	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	160.5	173.9	-69.9	177.6	62.2	175.7	-4.6	110.5	V263 L264 I265	V263-R288 PolarHBondContact O-N 3.45Å; L264-R288 HydrophobicContact CD1-CB 3.82Å; I265-R288 WeakPolarHBondContact CB-O 3.47Å; I265-R288 PolarHBondContact N-O 3.1Å
289	F	98.6	Very high	96.7	Very high	42 Å²	42	63.5 Å²	63.5	18%	0.184	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.9	-179.1	-63.7	-92.5	0	0	0	111.3	I247 I265 L277 L278 V287	I247-F289 HydrophobicContact CD1-CE1 4.39Å; I265-F289 HydrophobicContact CB-CD1 3.61Å; I265-F289 HydrophobicContact CB-CE1 3.85Å; I265-F289 HydrophobicContact CB-CG 4.33Å; I265-F289 HydrophobicContact CG1-CD1 4.11Å; I265-F289 HydrophobicContact CG1-CE1 3.88Å; I265-F289 HydrophobicContact CG1-CZ 4.41Å; I265-F289 HydrophobicContact CG2-CD1 3.7Å; I265-F289 HydrophobicContact CG2-CE1 3.84Å; I265-F289 WeakPolarHBondContact O-CA 3.33Å; L277-F289 HydrophobicContact CD1-CE1 4.05Å; L277-F289 HydrophobicContact CD2-CD1 4.29Å; L277-F289 HydrophobicContact CD2-CE1 4.33Å; L277-F289 HydrophobicContact CG-CD1 4.12Å; L277-F289 HydrophobicContact CG-CE1 3.74Å; L278-F289 HydrophobicContact CD2-CB 3.85Å; L278-F289 HydrophobicContact CD2-CD1 4.03Å; L278-F289 HydrophobicContact CD2-CD2 3.5Å; L278-F289 VanDerWaalsContact CD2-CD2 3.5Å; L278-F289 HydrophobicContact CD2-CE2 4.04Å; L278-F289 HydrophobicContact CD2-CG 3.5Å; V287-F289 HydrophobicContact CG1-CE1 4.43Å; V287-F289 HydrophobicContact CG1-CE2 3.94Å; V287-F289 HydrophobicContact CG1-CZ 3.78Å
290	C	98.4	Very high	96.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.6	175.9	159.7	0	0	0	0	108.2	L264 I265 V266 H267 T372 E374	L264-C290 HydrophobicContact CD1-CB 3.87Å; L264-C290 HydrophobicContact CD2-CB 4.43Å; L264-C290 HydrophobicContact CG-CB 4.26Å; I265-C290 PolarHBondContact O-N 2.64Å; V266-C290 WeakPolarHBondContact CA-O 3.24Å; V266-C290 HydrophobicContact CG2-CB 4.04Å; H267-C290 PolarHBondContact CD2-O 3.46Å; H267-C290 PolarHBondContact N-O 2.96Å; C290-T372 VanDerWaalsContact SG-CG2 3.52Å; C290-E374 HydrophobicContact CB-CB 4.03Å; C290-E374 HydrophobicContact CB-CG 4.31Å
291	Q	98.4	Very high	96.8	Very high	62 Å²	62	56.2 Å²	56.2	29%	0.29	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.7	-177.7	-172.8	-177.1	6.4	0	0	110.8	D269	D269-Q291 PolarHBondContact O-NE2 3.34Å
292	A	98	Very high	96.8	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	30%	0.299	C	S	.	.			trans	-65.5	136.7	175.6	0	0	0	0	0	111.5	H267 L294 H301 Y370 Y574	H267-A292 PolarHBondContact O-N 2.77Å; A292-L294 PolarHBondContact O-N 2.78Å; A292-H301 HydrophobicContact CB-CB 4.22Å; A292-Y370 HydrophobicContact CB-CD1 3.89Å; A292-Y370 HydrophobicContact CB-CE1 3.7Å; A292-Y574 HydrophobicContact CB-CD2 4.16Å; A292-Y574 HydrophobicContact CB-CE2 3.75Å
293	K	96.4	Very high	96.9	Very high	93 Å²	93	49.7 Å²	49.7	40%	0.404	27%	0.265	S	S	.	.			trans	-78.7	120	-176.8	-69.4	167.1	-177.2	165.2	0	110.3	R371 Y574	K293-R371 PolarHBondContact NZ-O 2.84Å; K293-Y574 VanDerWaalsContact O-CE2 3.3Å; K293-Y574 WeakPolarHBondContact O-CE2 3.28Å; K293-Y574 PolarHBondContact O-OH 3.34Å
294	L	96.1	Very high	96.9	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	24%	0.237	C	C	.	.			trans	-123.5	66.1	-175.2	-70.8	173.8	0	0	0	108.6	K270 A292 I296 H301 P399 Y574	K270-L294 PolarHBondContact NZ-O 3.47Å; A292-L294 PolarHBondContact O-N 2.78Å; L294-I296 VanDerWaalsContact C-N 3.33Å; L294-H301 HydrophobicContact CD1-CB 4.39Å; L294-P399 HydrophobicContact CD2-CG 3.93Å; L294-Y574 HydrophobicContact CD2-CD2 3.81Å; L294-Y574 HydrophobicContact CD2-CE2 3.99Å
295	D	92.5	Very high	97	Very high	136 Å²	136	43.5 Å²	43.5	73%	0.727	23%	0.229	S	C	*	.			trans	-84.6	-15.1	-166.1	-52.9	-28.2	0	0	0	112
296	I	93.7	Very high	97.1	Very high	28 Å²	28	37.5 Å²	37.5	14%	0.144	19%	0.19	C	C	.	.	S	Bend	trans	-87.1	129.4	168.4	-58.9	-179.5	0	0	0	109.4	L294 G299 M570 V571 R572	L294-I296 VanDerWaalsContact C-N 3.33Å; I296-G299 PolarHBondContact O-N 3.12Å; I296-G299 VanDerWaalsContact O-N 3.12Å; I296-M570 HydrophobicContact CG2-SD 4.36Å; I296-V571 WeakPolarHBondContact CD1-O 3.22Å; I296-R572 HydrophobicContact CG2-CB 4.38Å; I296-R572 HydrophobicContact CG2-CG 3.93Å
297	A	93.1	Very high	97.1	Very high	63 Å²	63	35.8 Å²	35.8	52%	0.521	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	143.6	178	0	0	0	0	0	112.2	G299 R572	A297-G299 PolarHBondContact O-N 2.61Å; A297-R572 WeakPolarHBondContact O-CD 3.44Å; A297-R572 PolarHBondContact O-NH1 2.99Å
298	F	92.7	Very high	97.1	Very high	103 Å²	103	35.1 Å²	35.1	45%	0.452	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	14.3	-173.8	-44.1	-73.2	0	0	0	115.1	S41	S41-F298 PolarHBondContact OG-O 3.21Å
299	G	95	Very high	97.1	Very high	16 Å²	16	31.9 Å²	31.9	17%	0.165	17%	0.166	C	C	.	.			trans	-68.7	146.1	168	0	0	0	0	0	113.3	I296 A297 R572	I296-G299 PolarHBondContact O-N 3.12Å; I296-G299 VanDerWaalsContact O-N 3.12Å; A297-G299 PolarHBondContact O-N 2.61Å; G299-R572 WeakPolarHBondContact CA-O 3.28Å
300	T	97.4	Very high	97.1	Very high	29 Å²	29	30.2 Å²	30.2	18%	0.178	16%	0.158	C	C	.	.			trans	-128.9	142.2	176.5	-55.6	0	0	0	0	110.7	Y243 H302 S573 Y574	Y243-T300 HydrophobicContact CD2-CG2 3.58Å; Y243-T300 HydrophobicContact CE2-CG2 3.7Å; T300-H302 HydrophobicContact CG2-CB 4.05Å; T300-H302 PolarHBondContact O-N 2.97Å; T300-S573 PolarHBondContact N-OG 3.49Å; T300-S573 CarbonylContact O-C 3.51Å; T300-S573 VanDerWaalsContact O-CA 3.23Å; T300-S573 WeakPolarHBondContact O-CA 2.99Å; T300-S573 WeakPolarHBondContact O-CB 3.17Å; T300-S573 PolarHBondContact O-OG 2.99Å; T300-Y574 PolarHBondContact O-N 2.85Å
301	H	98.7	Very high	97.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-85.2	98.8	163.6	-178.1	-95.4	0	0	0	108.1	F241 N242 Y243 V266 G268 A292 L294 Y370 Y574	F241-H301 AromaticContact CD1-NE2 3.98Å; N242-H301 PolarHBondContact O-ND1 3.41Å; Y243-H301 WeakPolarHBondContact CA-O 3.33Å; Y243-H301 WeakPolarHBondContact CB-O 3.27Å; V266-H301 PolarHBondContact O-CE1 3.23Å; V266-H301 VanDerWaalsContact O-CE1 3.25Å; G268-H301 VanDerWaalsContact CA-CB 3.43Å; A292-H301 HydrophobicContact CB-CB 4.22Å; L294-H301 HydrophobicContact CD1-CB 4.39Å; H301-Y370 AromaticContact CD2-CE1 3.75Å; H301-Y370 PolarHBondContact CD2-OH 2.91Å; H301-Y370 AromaticContact NE2-CE1 3.53Å; H301-Y370 AromaticContact NE2-CZ 3.63Å; H301-Y370 PolarHBondContact NE2-OH 2.91Å; H301-Y574 HydrophobicContact CB-CD2 4.4Å; H301-Y574 AromaticContact CD2-CD2 3.77Å; H301-Y574 AromaticContact CD2-CG 3.84Å
302	H	98.7	Very high	97.1	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.088	19%	0.193	C	C	.	.			trans	-115.2	-13.6	-168.9	-168	-112.5	0	0	0	113.7	T300 K304 S551 Y574 E575	T300-H302 HydrophobicContact CG2-CB 4.05Å; T300-H302 PolarHBondContact O-N 2.97Å; H302-K304 PolarHBondContact CD2-NZ 2.95Å; H302-K304 PolarHBondContact NE2-NZ 3.39Å; H302-K304 WeakPolarHBondContact O-CG 3.12Å; H302-K304 PolarHBondContact O-NZ 3.42Å; H302-S551 PolarHBondContact CE1-O 3.42Å; H302-S551 PolarHBondContact ND1-O 3.07Å; H302-S551 VanDerWaalsContact ND1-O 3.1Å; H302-S551 WeakPolarHBondContact O-CB 3.42Å; H302-Y574 CarbonylContact C-O 3.59Å; H302-Y574 WeakPolarHBondContact CA-O 3.44Å; H302-Y574 PolarHBondContact N-O 3.44Å; H302-E575 WeakPolarHBondContact CB-OE2 3.19Å; H302-E575 IonicContact CE1-OE2 3.29Å; H302-E575 IonicContact CG-OE1 2.7Å; H302-E575 IonicContact CG-OE2 3.93Å; H302-E575 IonicContact ND1-OE1 3.21Å; H302-E575 PolarHBondContact ND1-OE1 3.06Å; H302-E575 IonicContact ND1-OE2 3.09Å; H302-E575 PolarHBondContact ND1-OE2 2.8Å
303	T	98.9	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.			trans	-43.5	138.6	164	-66.4	0	0	0	0	113.5	F241 N242 M305 Y366 Y574 E575 L576	F241-T303 CarbonylContact C-O 3.35Å; F241-T303 HydrophobicContact CB-CG2 4.06Å; N242-T303 VanDerWaalsContact CA-O 3.29Å; N242-T303 WeakPolarHBondContact CA-O 3.3Å; T303-M305 HydrophobicContact CG2-CB 4.23Å; T303-Y366 WeakPolarHBondContact CB-OH 3.45Å; T303-Y366 HydrophobicContact CG2-CE1 4.27Å; T303-Y366 PolarHBondContact OG1-OH 3.49Å; T303-Y574 PolarHBondContact N-O 2.87Å; T303-Y574 PolarHBondContact OG1-O 2.91Å; T303-E575 VanDerWaalsContact OG1-CA 3.29Å; T303-E575 WeakPolarHBondContact OG1-CA 3.42Å; T303-E575 PolarHBondContact OG1-N 3.37Å; T303-L576 HydrophobicContact CG2-CB 3.72Å; T303-L576 HydrophobicContact CG2-CD2 3.99Å; T303-L576 PolarHBondContact OG1-N 2.97Å
304	K	98.9	Very high	97.2	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.174	C	C	.	.			trans	-135.5	97.5	-177.3	-72.6	170.7	179.2	71.6	0	108.5	F241 N242 H302 L319 T320 S321 N322	F241-K304 WeakPolarHBondContact O-CA 3.47Å; N242-K304 WeakPolarHBondContact OD1-CE 3.46Å; H302-K304 PolarHBondContact CD2-NZ 2.95Å; H302-K304 PolarHBondContact NE2-NZ 3.39Å; H302-K304 WeakPolarHBondContact O-CG 3.12Å; H302-K304 PolarHBondContact O-NZ 3.42Å; K304-L319 HydrophobicContact CB-CG 4.3Å; K304-L319 WeakPolarHBondContact CB-O 3.49Å; K304-L319 WeakPolarHBondContact O-CD2 3.47Å; K304-L319 PolarHBondContact O-N 3.23Å; K304-T320 VanDerWaalsContact CD-C 3.46Å; K304-T320 WeakPolarHBondContact CD-O 3.49Å; K304-S321 WeakPolarHBondContact CD-O 3.36Å; K304-N322 WeakPolarHBondContact CE-OD1 3.43Å
305	M	98.9	Very high	97.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.7	-171.5	179.7	172.1	68.4	0	0	111	F241 T303 L307 V316 I317 I318 L363 L367 L576	F241-M305 HydrophobicContact CB-CB 4.07Å; F241-M305 HydrophobicContact CD1-CE 4.35Å; F241-M305 HydrophobicContact CD2-CB 4.11Å; F241-M305 HydrophobicContact CD2-CE 3.6Å; F241-M305 HydrophobicContact CD2-CG 4.4Å; F241-M305 HydrophobicContact CE1-CE 4.21Å; F241-M305 HydrophobicContact CE2-CE 3.45Å; F241-M305 VanDerWaalsContact CE2-CE 3.45Å; F241-M305 HydrophobicContact CG-CB 4.29Å; F241-M305 HydrophobicContact CG-CE 4.09Å; F241-M305 HydrophobicContact CZ-CE 3.79Å; F241-M305 PolarHBondContact N-O 3.5Å; F241-M305 PolarHBondContact O-N 2.73Å; F241-M305 VanDerWaalsContact O-N 3.1Å; T303-M305 HydrophobicContact CG2-CB 4.23Å; M305-L307 HydrophobicContact CE-CD1 4.47Å; M305-L307 HydrophobicContact CE-CD2 4.03Å; M305-L307 HydrophobicContact CE-CG 4.22Å; M305-L307 HydrophobicContact CG-CD2 4.35Å; M305-L307 HydrophobicContact SD-CD2 4.01Å; M305-V316 HydrophobicContact CG-CG1 4.33Å; M305-V316 HydrophobicContact SD-CG1 4Å; M305-I317 CarbonylContact C-O 3.52Å; M305-I317 WeakPolarHBondContact CA-O 3.45Å; M305-I317 WeakPolarHBondContact CG-O 3.34Å; M305-I318 HydrophobicContact CG-CG1 4.1Å; M305-I318 HydrophobicContact SD-CG1 4.14Å; M305-L363 HydrophobicContact CE-CD1 4.16Å; M305-L363 HydrophobicContact SD-CD1 3.96Å; M305-L367 HydrophobicContact CE-CD2 4.08Å; M305-L576 HydrophobicContact CB-CD2 4.17Å; M305-L576 HydrophobicContact CE-CD2 4.14Å; M305-L576 HydrophobicContact CG-CD2 4.34Å; M305-L576 HydrophobicContact SD-CD2 3.44Å; M305-L576 WeakPolarHBondContact SD-CD2 3.4Å
306	M	98.9	Very high	97.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.3	165.8	-46.5	-173.9	175.7	0	0	109.1	I224 I227 V239 L308 I317 L319 L323 W328	I224-M306 HydrophobicContact CD1-CE 3.84Å; I224-M306 HydrophobicContact CG1-CE 4.17Å; I227-M306 HydrophobicContact CG2-SD 3.92Å; V239-M306 WeakPolarHBondContact O-CA 3.48Å; M306-L308 HydrophobicContact CB-CD2 4.14Å; M306-L308 HydrophobicContact CB-CG 4.16Å; M306-I317 HydrophobicContact CB-CB 4.13Å; M306-I317 HydrophobicContact CG-CB 4.42Å; M306-I317 PolarHBondContact N-O 3.29Å; M306-I317 PolarHBondContact O-N 2.84Å; M306-I317 HydrophobicContact SD-CD1 4.47Å; M306-L319 HydrophobicContact CE-CD1 4.15Å; M306-L319 HydrophobicContact CE-CD2 4.32Å; M306-L319 HydrophobicContact CG-CD2 3.96Å; M306-L323 HydrophobicContact CE-CD2 4.27Å; M306-W328 HydrophobicContact CE-CZ2 4.37Å
307	L	98.9	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.2	160.5	-58.3	-179.7	0	0	0	106.6	S238 V239 F241 M305 F314 V316 L367 W378 I382	S238-L307 CarbonylContact C-O 3.52Å; S238-L307 WeakPolarHBondContact CA-O 3.37Å; S238-L307 WeakPolarHBondContact CB-O 3.44Å; V239-L307 HydrophobicContact CB-CB 4.02Å; V239-L307 HydrophobicContact CB-CD1 4.27Å; V239-L307 HydrophobicContact CB-CG 4.31Å; V239-L307 HydrophobicContact CG2-CB 4.07Å; V239-L307 HydrophobicContact CG2-CD1 4.06Å; V239-L307 HydrophobicContact CG2-CG 4.48Å; V239-L307 PolarHBondContact N-O 3.27Å; V239-L307 PolarHBondContact O-N 2.97Å; F241-L307 HydrophobicContact CE2-CD1 3.81Å; F241-L307 HydrophobicContact CE2-CG 3.99Å; F241-L307 HydrophobicContact CZ-CD1 4.34Å; M305-L307 HydrophobicContact CE-CD1 4.47Å; M305-L307 HydrophobicContact CE-CD2 4.03Å; M305-L307 HydrophobicContact CE-CG 4.22Å; M305-L307 HydrophobicContact CG-CD2 4.35Å; M305-L307 HydrophobicContact SD-CD2 4.01Å; L307-F314 HydrophobicContact CB-CE1 4.46Å; L307-F314 HydrophobicContact CB-CZ 3.91Å; L307-F314 HydrophobicContact CD1-CZ 4.46Å; L307-F314 HydrophobicContact CD2-CE1 4.11Å; L307-F314 HydrophobicContact CD2-CZ 4.17Å; L307-F314 HydrophobicContact CG-CZ 4.4Å; L307-V316 HydrophobicContact CD2-CG1 4.2Å; L307-V316 HydrophobicContact CD2-CG2 3.95Å; L307-L367 HydrophobicContact CD1-CD1 4.24Å; L307-L367 HydrophobicContact CD1-CD2 4.4Å; L307-W378 HydrophobicContact CB-CE3 3.93Å; L307-W378 HydrophobicContact CB-CZ3 3.88Å; L307-W378 HydrophobicContact CD1-CB 4.34Å; L307-W378 HydrophobicContact CD1-CE3 4.12Å; L307-I382 HydrophobicContact CD1-CD1 4.24Å; L307-I382 HydrophobicContact CD2-CD1 4.4Å
308	L	98.8	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.9	-176.7	-56	178.8	0	0	0	108.3	I227 L228 L235 M306 Y310 F314 R315 I317	I227-L308 HydrophobicContact CG2-CD1 4.3Å; L228-L308 HydrophobicContact CD2-CD1 4.44Å; L228-L308 HydrophobicContact CD2-CD2 4.03Å; L235-L308 HydrophobicContact CD1-CB 4.02Å; L235-L308 HydrophobicContact CD1-CD2 4.16Å; M306-L308 HydrophobicContact CB-CD2 4.14Å; M306-L308 HydrophobicContact CB-CG 4.16Å; L308-Y310 HydrophobicContact CB-CE1 4.26Å; L308-Y310 HydrophobicContact CB-CE2 3.9Å; L308-Y310 WeakPolarHBondContact CD1-OH 3.26Å; L308-F314 CarbonylContact O-C 3.53Å; L308-F314 WeakPolarHBondContact O-CA 3.18Å; L308-R315 HydrophobicContact CB-CB 4.46Å; L308-R315 PolarHBondContact N-O 3.05Å; L308-R315 PolarHBondContact O-N 3.27Å; L308-I317 HydrophobicContact CD1-CD1 3.75Å
309	W	98.7	Very high	98.4	Very high	62 Å²	62	18.2 Å²	18.2	24%	0.235	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.9	177.8	-179.1	43.7	0	0	0	110.1	K236 E237 F314 W378 H385	K236-W309 HydrophobicContact CB-CD2 4.31Å; K236-W309 HydrophobicContact CB-CE3 3.9Å; K236-W309 HydrophobicContact CB-CZ3 4.27Å; K236-W309 HydrophobicContact CD-CD2 4.13Å; K236-W309 HydrophobicContact CD-CE3 4.15Å; K236-W309 HydrophobicContact CD-CH2 4.02Å; K236-W309 HydrophobicContact CD-CZ2 3.97Å; K236-W309 HydrophobicContact CD-CZ3 4.11Å; K236-W309 PolarHBondContact N-O 3.36Å; E237-W309 HydrophobicContact CB-CE3 4.22Å; E237-W309 PolarHBondContact N-O 3.4Å; E237-W309 PolarHBondContact O-N 3.03Å; W309-F314 HydrophobicContact CB-CD2 3.91Å; W309-F314 HydrophobicContact CB-CE2 4.18Å; W309-F314 AromaticContact CD1-CD2 3.97Å; W309-F314 HydrophobicContact CG-CD2 4.2Å; W309-W378 HydrophobicContact CB-CH2 4.06Å; W309-W378 HydrophobicContact CB-CZ3 3.94Å; W309-H385 AromaticContact CD1-CE1 3.99Å; W309-H385 AromaticContact NE1-CE1 3.78Å; W309-H385 AromaticContact NE1-NE2 3.96Å
310	Y	98.5	Very high	98.6	Very high	6 Å²	6	17.4 Å²	17.4	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-174.8	-170.6	-47.6	-86.1	0	0	0	112.5	G233 T234 L235 K236 L308 E312 G313 R315 L340	G233-Y310 WeakPolarHBondContact O-CD1 3.5Å; T234-Y310 CarbonylContact O-C 3.56Å; T234-Y310 WeakPolarHBondContact O-CA 3.48Å; T234-Y310 WeakPolarHBondContact O-CB 3.19Å; L235-Y310 HydrophobicContact CB-CD1 4.12Å; L235-Y310 HydrophobicContact CB-CE1 4.43Å; L235-Y310 HydrophobicContact CD1-CD1 3.83Å; L235-Y310 HydrophobicContact CD1-CE1 3.78Å; K236-Y310 WeakPolarHBondContact CD-O 3.3Å; K236-Y310 VanDerWaalsContact CE-O 3.31Å; K236-Y310 WeakPolarHBondContact CE-O 3.3Å; K236-Y310 PolarHBondContact NZ-O 3.21Å; L308-Y310 HydrophobicContact CB-CE1 4.26Å; L308-Y310 HydrophobicContact CB-CE2 3.9Å; L308-Y310 WeakPolarHBondContact CD1-OH 3.26Å; Y310-E312 WeakPolarHBondContact CB-OE2 3.37Å; Y310-G313 PolarHBondContact N-O 2.7Å; Y310-R315 HydrophobicContact CE2-CB 3.66Å; Y310-R315 PolarHBondContact OH-NE 2.76Å; Y310-L340 HydrophobicContact CD2-CD1 4.02Å; Y310-L340 HydrophobicContact CE2-CD1 4.26Å
311	E	97.9	Very high	98.6	Very high	133 Å²	133	16 Å²	16	62%	0.621	7%	0.072	S	C	*	.	S	Bend	trans	-70.2	-38.7	164.6	-72.6	-175.4	-168.2	0	0	112.3	T234 K236	T234-E311 HydrophobicContact CG2-CG 4.13Å; T234-E311 PolarHBondContact O-N 3.47Å; K236-E311 VanDerWaalsContact CE-CG 3.45Å; K236-E311 HydrophobicContact CG-CG 4.48Å
312	E	97.6	Very high	98.6	Very high	87 Å²	87	16.5 Å²	16.5	41%	0.407	8%	0.075	S	C	.	.	S	Bend	trans	-88.1	-12.5	-170.4	-47.1	84	169.9	0	0	113.4	G233 T234 Y310 L340	G233-E312 WeakPolarHBondContact CA-OE2 3.5Å; T234-E312 VanDerWaalsContact CB-OE1 3.29Å; T234-E312 WeakPolarHBondContact CB-OE1 3.5Å; T234-E312 VanDerWaalsContact N-CD 3.32Å; T234-E312 PolarHBondContact N-OE1 2.88Å; T234-E312 PolarHBondContact N-OE2 3.36Å; T234-E312 PolarHBondContact OG1-OE1 2.92Å; Y310-E312 WeakPolarHBondContact CB-OE2 3.37Å; E312-L340 HydrophobicContact CB-CD2 3.94Å
313	G	97.8	Very high	98.6	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.031	7%	0.071	C	C	.	.			trans	154.5	-147.6	-179	0	0	0	0	0	114	Y310 F341	Y310-G313 PolarHBondContact N-O 2.7Å; G313-F341 CarbonylContact C-O 3.39Å; G313-F341 VanDerWaalsContact CA-O 3.24Å; G313-F341 WeakPolarHBondContact CA-O 3.38Å
314	F	98.5	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.7	-175.2	-165.4	-87.6	0	0	0	111.5	L307 L308 W309 V316 F341 W378 R381 I382 H385	L307-F314 HydrophobicContact CB-CE1 4.46Å; L307-F314 HydrophobicContact CB-CZ 3.91Å; L307-F314 HydrophobicContact CD1-CZ 4.46Å; L307-F314 HydrophobicContact CD2-CE1 4.11Å; L307-F314 HydrophobicContact CD2-CZ 4.17Å; L307-F314 HydrophobicContact CG-CZ 4.4Å; L308-F314 CarbonylContact O-C 3.53Å; L308-F314 WeakPolarHBondContact O-CA 3.18Å; W309-F314 HydrophobicContact CB-CD2 3.91Å; W309-F314 HydrophobicContact CB-CE2 4.18Å; W309-F314 AromaticContact CD1-CD2 3.97Å; W309-F314 HydrophobicContact CG-CD2 4.2Å; F314-V316 HydrophobicContact CD1-CG2 4.24Å; F314-V316 HydrophobicContact CE1-CG2 3.83Å; F314-F341 HydrophobicContact CB-CB 4.38Å; F314-F341 HydrophobicContact CD1-CD2 4.42Å; F314-F341 PolarHBondContact N-O 2.88Å; F314-F341 WeakPolarHBondContact O-CB 3.1Å; F314-F341 PolarHBondContact O-N 3.37Å; F314-W378 AromaticContact CE2-CE3 3.71Å; F314-W378 HydrophobicContact CE2-CE3 3.71Å; F314-W378 AromaticContact CE2-CZ3 3.61Å; F314-W378 HydrophobicContact CE2-CZ3 3.61Å; F314-W378 AromaticContact CZ-CE3 3.95Å; F314-W378 HydrophobicContact CZ-CE3 3.95Å; F314-W378 HydrophobicContact CZ-CZ3 4.06Å; F314-R381 HydrophobicContact CE2-CB 4.23Å; F314-I382 HydrophobicContact CD1-CG1 4.42Å; F314-I382 HydrophobicContact CE1-CD1 4.13Å; F314-I382 HydrophobicContact CE1-CG1 3.6Å; F314-I382 HydrophobicContact CE2-CG1 4.23Å; F314-I382 HydrophobicContact CZ-CD1 3.95Å; F314-I382 HydrophobicContact CZ-CG1 3.48Å; F314-I382 VanDerWaalsContact CZ-CG1 3.48Å; F314-H385 HydrophobicContact CB-CB 4.23Å
315	R	98.4	Very high	98.4	Very high	16 Å²	16	20.3 Å²	20.3	6%	0.06	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.4	176.6	-169.4	-174.2	-52	-70.8	1.3	111.5	F232 L308 Y310 I317 M337 S338	F232-R315 PolarHBondContact O-NH2 3.33Å; L308-R315 HydrophobicContact CB-CB 4.46Å; L308-R315 PolarHBondContact N-O 3.05Å; L308-R315 PolarHBondContact O-N 3.27Å; Y310-R315 HydrophobicContact CE2-CB 3.66Å; Y310-R315 PolarHBondContact OH-NE 2.76Å; R315-I317 HydrophobicContact CG-CG1 4.29Å; R315-M337 HydrophobicContact CG-CG 4.29Å; R315-S338 WeakPolarHBondContact CA-OG 3.35Å; R315-S338 VanDerWaalsContact CG-OG 3.28Å; R315-S338 WeakPolarHBondContact CG-OG 3.5Å; R315-S338 PolarHBondContact NH1-O 3.27Å; R315-S338 VanDerWaalsContact NH1-O 3.11Å
316	V	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.3	174	-177.2	0	0	0	0	108.4	M305 L307 F314 I318 W336 S338 F341 F359 L363	M305-V316 HydrophobicContact CG-CG1 4.33Å; M305-V316 HydrophobicContact SD-CG1 4Å; L307-V316 HydrophobicContact CD2-CG1 4.2Å; L307-V316 HydrophobicContact CD2-CG2 3.95Å; F314-V316 HydrophobicContact CD1-CG2 4.24Å; F314-V316 HydrophobicContact CE1-CG2 3.83Å; V316-I318 HydrophobicContact CG1-CD1 4.3Å; V316-I318 HydrophobicContact CG1-CG1 4.15Å; V316-W336 HydrophobicContact CB-CZ3 4.16Å; V316-W336 HydrophobicContact CG1-CZ3 3.97Å; V316-S338 PolarHBondContact N-OG 3.48Å; V316-S338 WeakPolarHBondContact O-CB 3.42Å; V316-S338 PolarHBondContact O-N 2.73Å; V316-S338 PolarHBondContact O-OG 3.44Å; V316-F341 HydrophobicContact CB-CE2 4.41Å; V316-F341 HydrophobicContact CG2-CE2 4.02Å; V316-F359 HydrophobicContact CG1-CZ 4.27Å; V316-L363 HydrophobicContact CG1-CD2 4.36Å; V316-L363 HydrophobicContact CG2-CD2 3.76Å
317	I	98.8	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.1	175.7	-51	-176.8	0	0	0	108.1	I227 M305 M306 L308 R315 L319 M335 W336 M337	I227-I317 HydrophobicContact CG2-CD1 3.28Å; M305-I317 CarbonylContact C-O 3.52Å; M305-I317 WeakPolarHBondContact CA-O 3.45Å; M305-I317 WeakPolarHBondContact CG-O 3.34Å; M306-I317 HydrophobicContact CB-CB 4.13Å; M306-I317 HydrophobicContact CG-CB 4.42Å; M306-I317 PolarHBondContact N-O 3.29Å; M306-I317 PolarHBondContact O-N 2.84Å; M306-I317 HydrophobicContact SD-CD1 4.47Å; L308-I317 HydrophobicContact CD1-CD1 3.75Å; R315-I317 HydrophobicContact CG-CG1 4.29Å; I317-L319 HydrophobicContact CG2-CD2 4.16Å; I317-M335 HydrophobicContact CG2-CB 4.42Å; I317-W336 WeakPolarHBondContact CA-O 3.19Å; I317-W336 WeakPolarHBondContact CG2-O 3.45Å; I317-M337 HydrophobicContact CD1-CE 4.08Å; I317-M337 HydrophobicContact CD1-CG 4.22Å; I317-M337 HydrophobicContact CG1-CG 4.11Å
318	I	98.9	Very high	98	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.7	179.1	-64.1	168.3	0	0	0	107.1	M305 V316 M335 W336 F359 L394 L576 V578	M305-I318 HydrophobicContact CG-CG1 4.1Å; M305-I318 HydrophobicContact SD-CG1 4.14Å; V316-I318 HydrophobicContact CG1-CD1 4.3Å; V316-I318 HydrophobicContact CG1-CG1 4.15Å; I318-M335 CarbonylContact O-C 3.53Å; I318-M335 WeakPolarHBondContact O-CA 3.29Å; I318-W336 HydrophobicContact CB-CE3 4.24Å; I318-W336 HydrophobicContact CD1-CE3 4.1Å; I318-W336 HydrophobicContact CD1-CZ3 4.04Å; I318-W336 HydrophobicContact CG1-CE3 4.23Å; I318-W336 HydrophobicContact CG1-CZ3 4.4Å; I318-W336 PolarHBondContact N-O 2.91Å; I318-W336 PolarHBondContact O-N 3.07Å; I318-F359 HydrophobicContact CD1-CE2 4.4Å; I318-F359 HydrophobicContact CD1-CZ 4.21Å; I318-L394 HydrophobicContact CD1-CD1 3.65Å; I318-L576 HydrophobicContact CD1-CD2 3.88Å; I318-L576 HydrophobicContact CD1-CG 4.13Å; I318-L576 HydrophobicContact CG1-CD2 4Å; I318-L576 HydrophobicContact CG2-CG 4.35Å; I318-V578 HydrophobicContact CB-CG1 4.48Å; I318-V578 HydrophobicContact CD1-CG1 3.67Å
319	L	98.6	Very high	97.9	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	176.5	-165.3	65	148.3	0	0	0	112.3	K304 M306 I317 W328 G334 M335	K304-L319 HydrophobicContact CB-CG 4.3Å; K304-L319 WeakPolarHBondContact CB-O 3.49Å; K304-L319 WeakPolarHBondContact O-CD2 3.47Å; K304-L319 PolarHBondContact O-N 3.23Å; M306-L319 HydrophobicContact CE-CD1 4.15Å; M306-L319 HydrophobicContact CE-CD2 4.32Å; M306-L319 HydrophobicContact CG-CD2 3.96Å; I317-L319 HydrophobicContact CG2-CD2 4.16Å; L319-W328 HydrophobicContact CD1-CH2 3.94Å; L319-W328 HydrophobicContact CD1-CZ2 3.56Å; L319-G334 CarbonylContact C-O 3.59Å; L319-G334 WeakPolarHBondContact CA-O 3.44Å; L319-M335 HydrophobicContact CB-CB 3.64Å
320	T	98.8	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-111.2	-9.1	179.3	66.7	0	0	0	0	114.9	K304 Q333 G334 H530 I531 V549 T550	K304-T320 VanDerWaalsContact CD-C 3.46Å; K304-T320 WeakPolarHBondContact CD-O 3.49Å; T320-Q333 PolarHBondContact O-OE1 3.04Å; T320-Q333 WeakPolarHBondContact OG1-CA 3.21Å; T320-Q333 WeakPolarHBondContact OG1-CB 3.5Å; T320-Q333 PolarHBondContact OG1-OE1 3.37Å; T320-G334 PolarHBondContact N-O 2.89Å; T320-G334 PolarHBondContact OG1-N 3.28Å; T320-G334 PolarHBondContact OG1-O 3.12Å; T320-H530 PolarHBondContact O-CE1 3.48Å; T320-H530 PolarHBondContact O-ND1 2.92Å; T320-I531 HydrophobicContact CG2-CB 4.45Å; T320-I531 HydrophobicContact CG2-CG1 4.01Å; T320-I531 WeakPolarHBondContact OG1-CA 3.41Å; T320-V549 HydrophobicContact CG2-CG2 3.97Å; T320-T550 WeakPolarHBondContact CG2-O 3.43Å
321	S	98.6	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.			trans	-79.4	138	-175.9	-34.7	0	0	0	0	114	N242 K304 W328 Q333	N242-S321 PolarHBondContact ND2-O 3Å; K304-S321 WeakPolarHBondContact CD-O 3.36Å; S321-W328 VanDerWaalsContact CB-CE2 3.41Å; S321-Q333 WeakPolarHBondContact OG-CB 3.34Å; S321-Q333 VanDerWaalsContact OG-CG 3.28Å; S321-Q333 WeakPolarHBondContact OG-CG 3.23Å
322	N	98.7	Very high	97.9	Very high	10 Å²	10	12.2 Å²	12.2	5%	0.053	6%	0.059	C	C	.	.			trans	-70.9	161.4	160.8	-60.9	-82.3	0	0	0	111.1	N242 C244 K304 I324 D327 W328 H530	N242-N322 WeakPolarHBondContact OD1-CA 3.28Å; N242-N322 PolarHBondContact OD1-OD1 2.99Å; C244-N322 HydrophobicContact CB-CB 4.13Å; C244-N322 PolarHBondContact N-OD1 2.82Å; K304-N322 WeakPolarHBondContact CE-OD1 3.43Å; N322-I324 VanDerWaalsContact C-N 3.28Å; N322-I324 HydrophobicContact CB-CD1 4.28Å; N322-I324 HydrophobicContact CB-CG1 4.05Å; N322-I324 PolarHBondContact O-N 2.97Å; N322-I324 VanDerWaalsContact O-N 3.16Å; N322-D327 HydrophobicContact CB-CB 4.17Å; N322-D327 WeakPolarHBondContact CB-OD2 3.28Å; N322-D327 PolarHBondContact N-OD2 3.41Å; N322-D327 PolarHBondContact ND2-OD2 3.27Å; N322-W328 PolarHBondContact O-NE1 3.19Å; N322-H530 PolarHBondContact ND2-CE1 3.32Å
323	L	98.4	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-92.4	60.1	179.8	-71.9	168.6	0	0	0	111.2	I224 Q240 N242 C244 F245 D246 W249 M250 M306	I224-L323 HydrophobicContact CD1-CD2 3.38Å; Q240-L323 HydrophobicContact CB-CD1 3.8Å; Q240-L323 HydrophobicContact CG-CD1 4.27Å; N242-L323 HydrophobicContact CB-CD1 4.22Å; C244-L323 PolarHBondContact O-N 3.2Å; F245-L323 HydrophobicContact CD1-CB 4.01Å; F245-L323 HydrophobicContact CD1-CD1 3.76Å; F245-L323 HydrophobicContact CD1-CG 4.5Å; F245-L323 HydrophobicContact CE1-CD1 3.64Å; D246-L323 PolarHBondContact N-O 3.16Å; W249-L323 HydrophobicContact CZ3-CB 4.44Å; W249-L323 HydrophobicContact CZ3-CD2 4.44Å; M250-L323 HydrophobicContact CG-CB 4.47Å; M250-L323 HydrophobicContact CG-CD1 4.41Å; M250-L323 HydrophobicContact CG-CD2 4.42Å; M250-L323 HydrophobicContact SD-CD1 4.16Å; M306-L323 HydrophobicContact CE-CD2 4.27Å
324	I	97.4	Very high	98	Very high	39 Å²	39	8 Å²	8	20%	0.2	4%	0.038	C	C	.	.	S	Bend	trans	-140.1	150.3	178.3	62.9	179.7	0	0	0	109.8	D246 N322 A326 D327	D246-I324 HydrophobicContact CB-CG2 3.96Å; N322-I324 VanDerWaalsContact C-N 3.28Å; N322-I324 HydrophobicContact CB-CD1 4.28Å; N322-I324 HydrophobicContact CB-CG1 4.05Å; N322-I324 PolarHBondContact O-N 2.97Å; N322-I324 VanDerWaalsContact O-N 3.16Å; I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 2.8Å; I324-D327 HydrophobicContact CG1-CB 3.98Å; I324-D327 PolarHBondContact O-N 2.97Å
325	R	95.6	Very high	97.9	Very high	62 Å²	62	8 Å²	8	23%	0.234	4%	0.038	C	C	.	.	H	α-helix	trans	-54.1	-44.3	-177	-166.7	175.9	-175.2	-172.7	1	113.2	Y184 K185 E187 W249 D327 W328 Y329	Y184-R325 HydrophobicContact CD1-CG 4.06Å; Y184-R325 HydrophobicContact CE1-CB 4.06Å; Y184-R325 HydrophobicContact CE1-CG 3.73Å; K185-R325 PolarHBondContact O-NH2 3.18Å; E187-R325 IonicContact OE1-NH2 3.88Å; E187-R325 PolarHBondContact OE1-NH2 3.28Å; E187-R325 IonicContact OE2-CZ 3.66Å; E187-R325 IonicContact OE2-NE 3.66Å; E187-R325 IonicContact OE2-NH2 3.77Å; E187-R325 PolarHBondContact OE2-NH2 3.15Å; W249-R325 HydrophobicContact CD2-CB 4.47Å; W249-R325 HydrophobicContact CG-CB 4.39Å; R325-D327 PolarHBondContact O-N 3.11Å; R325-W328 PolarHBondContact O-N 3.2Å; R325-W328 VanDerWaalsContact O-N 3.08Å; R325-Y329 VanDerWaalsContact O-CB 3.23Å; R325-Y329 WeakPolarHBondContact O-CB 3.17Å; R325-Y329 PolarHBondContact O-N 2.97Å
326	A	94.9	Very high	97.9	Very high	19 Å²	19	7.5 Å²	7.5	16%	0.157	4%	0.037	C	C	.	.	H	α-helix	trans	-55.6	-36.8	-176.6	0	0	0	0	0	113.4	I324 W328 Y329 K331	I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 2.8Å; A326-W328 VanDerWaalsContact C-N 3.31Å; A326-W328 PolarHBondContact O-N 2.82Å; A326-Y329 PolarHBondContact O-N 2.91Å; A326-K331 VanDerWaalsContact O-CE 3.32Å; A326-K331 WeakPolarHBondContact O-CE 3.41Å
327	D	97.8	Very high	97.8	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-74.8	-19.6	-177.8	-102.1	49.8	0	0	0	113.8	N322 I324 R325 Q333 H530	N322-D327 HydrophobicContact CB-CB 4.17Å; N322-D327 WeakPolarHBondContact CB-OD2 3.28Å; N322-D327 PolarHBondContact N-OD2 3.41Å; N322-D327 PolarHBondContact ND2-OD2 3.27Å; I324-D327 HydrophobicContact CG1-CB 3.98Å; I324-D327 PolarHBondContact O-N 2.97Å; R325-D327 PolarHBondContact O-N 3.11Å; D327-Q333 VanDerWaalsContact CG-NE2 3.28Å; D327-Q333 VanDerWaalsContact O-CG 3.25Å; D327-Q333 WeakPolarHBondContact O-CG 3.46Å; D327-Q333 PolarHBondContact O-NE2 2.6Å; D327-Q333 PolarHBondContact OD2-NE2 2.87Å; D327-H530 IonicContact OD2-CE1 3.7Å; D327-H530 PolarHBondContact OD2-CE1 3.41Å; D327-H530 IonicContact OD2-CG 2.64Å; D327-H530 IonicContact OD2-ND1 3.52Å; D327-H530 PolarHBondContact OD2-ND1 2.99Å
328	W	97.3	Very high	97.7	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-105.8	-5.3	177.6	-68.1	83.8	0	0	0	113.4	N208 I224 I227 W249 M306 L319 S321 N322 R325 A326 M335	N208-W328 HydrophobicContact CB-CE3 4.3Å; N208-W328 HydrophobicContact CB-CZ3 4.49Å; I224-W328 HydrophobicContact CB-CD2 4.01Å; I224-W328 HydrophobicContact CB-CE3 4.01Å; I224-W328 HydrophobicContact CB-CH2 3.91Å; I224-W328 HydrophobicContact CB-CZ2 3.91Å; I224-W328 HydrophobicContact CB-CZ3 3.96Å; I224-W328 HydrophobicContact CD1-CZ2 4.29Å; I224-W328 HydrophobicContact CG1-CZ2 4.48Å; I224-W328 HydrophobicContact CG2-CD2 4.02Å; I224-W328 HydrophobicContact CG2-CE3 4.24Å; I224-W328 HydrophobicContact CG2-CG 4.32Å; I224-W328 VanDerWaalsContact N-CZ3 3.34Å; I227-W328 HydrophobicContact CD1-CH2 3.73Å; I227-W328 HydrophobicContact CD1-CZ3 4.09Å; W249-W328 HydrophobicContact CH2-CB 4.4Å; W249-W328 AromaticContact CH2-CD1 3.42Å; W249-W328 VanDerWaalsContact CH2-CD1 3.42Å; W249-W328 AromaticContact CH2-CG 3.94Å; W249-W328 HydrophobicContact CH2-CG 3.94Å; W249-W328 AromaticContact CH2-NE1 3.91Å; W249-W328 HydrophobicContact CZ2-CB 4.35Å; W249-W328 HydrophobicContact CZ2-CG 4.37Å; M306-W328 HydrophobicContact CE-CZ2 4.37Å; L319-W328 HydrophobicContact CD1-CH2 3.94Å; L319-W328 HydrophobicContact CD1-CZ2 3.56Å; S321-W328 VanDerWaalsContact CB-CE2 3.41Å; N322-W328 PolarHBondContact O-NE1 3.19Å; R325-W328 PolarHBondContact O-N 3.2Å; R325-W328 VanDerWaalsContact O-N 3.08Å; A326-W328 VanDerWaalsContact C-N 3.31Å; A326-W328 PolarHBondContact O-N 2.82Å; W328-M335 HydrophobicContact CH2-CE 4.39Å; W328-M335 HydrophobicContact CZ3-CE 4.12Å
329	Y	96.3	Very high	97.6	Very high	4 Å²	4	8 Å²	8	2%	0.016	4%	0.039	C	C	.	.	H	α-helix	trans	-87.8	-65.4	-172.9	174	-117.2	0	0	0	112.7	Y183 Y184 K185 E187 T211 R325 A326	Y183-Y329 HydrophobicContact CE1-CE1 4.41Å; Y184-Y329 AromaticContact CD1-CD1 3.75Å; Y184-Y329 HydrophobicContact CD1-CD1 3.75Å; Y184-Y329 AromaticContact CD1-CD2 3.94Å; Y184-Y329 HydrophobicContact CD1-CD2 3.94Å; Y184-Y329 AromaticContact CD1-CE1 3.85Å; Y184-Y329 HydrophobicContact CD1-CE1 3.85Å; Y184-Y329 HydrophobicContact CD1-CE2 4.03Å; Y184-Y329 AromaticContact CD1-CG 3.81Å; Y184-Y329 HydrophobicContact CD1-CG 3.81Å; Y184-Y329 AromaticContact CE1-CD1 3.93Å; Y184-Y329 HydrophobicContact CE1-CD1 3.93Å; Y184-Y329 HydrophobicContact CE1-CE1 4.38Å; Y184-Y329 HydrophobicContact CE1-CG 4.07Å; K185-Y329 PolarHBondContact N-OH 2.92Å; E187-Y329 WeakPolarHBondContact OE1-CD2 3.4Å; T211-Y329 HydrophobicContact CG2-CD2 4.17Å; T211-Y329 HydrophobicContact CG2-CE2 3.71Å; T211-Y329 PolarHBondContact N-O 2.72Å; R325-Y329 VanDerWaalsContact O-CB 3.23Å; R325-Y329 WeakPolarHBondContact O-CB 3.17Å; R325-Y329 PolarHBondContact O-N 2.97Å; A326-Y329 PolarHBondContact O-N 2.91Å
330	Q	97.6	Very high	97.5	Very high	4 Å²	4	11 Å²	11	2%	0.019	6%	0.055	C	C	.	.	S	Bend	trans	-132.4	12.3	-170.3	-79.3	-173.2	-30.9	0	0	115.7	T211 L488 E489 A527	T211-Q330 WeakPolarHBondContact O-CG 3.37Å; T211-Q330 PolarHBondContact O-NE2 3.28Å; Q330-L488 HydrophobicContact CB-CB 4.12Å; Q330-L488 HydrophobicContact CB-CD1 4.36Å; Q330-L488 HydrophobicContact CG-CB 4.18Å; Q330-L488 HydrophobicContact CG-CD1 4.19Å; Q330-L488 PolarHBondContact OE1-O 2.92Å; Q330-E489 HydrophobicContact CB-CG 3.7Å; Q330-A527 VanDerWaalsContact O-CA 3.24Å; Q330-A527 WeakPolarHBondContact O-CA 3.25Å; Q330-A527 WeakPolarHBondContact O-CB 3.32Å
331	K	98.4	Very high	97.4	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	6%	0.056	C	C	.	.	S	Bend	trans	-96.7	157.8	176.5	-58.4	-177.1	-153.6	-65.7	0	111.1	N208 A326 E489 S496 M528 H530	N208-K331 PolarHBondContact ND2-O 3.05Å; N208-K331 PolarHBondContact OD1-O 3.13Å; A326-K331 VanDerWaalsContact O-CE 3.32Å; A326-K331 WeakPolarHBondContact O-CE 3.41Å; K331-E489 VanDerWaalsContact CG-OE2 3.32Å; K331-E489 WeakPolarHBondContact CG-OE2 3.44Å; K331-E489 IonicContact NZ-OE1 2.92Å; K331-E489 PolarHBondContact NZ-OE1 3.3Å; K331-E489 IonicContact NZ-OE2 2.79Å; K331-E489 PolarHBondContact NZ-OE2 3.1Å; K331-S496 WeakPolarHBondContact CE-OG 3.1Å; K331-S496 PolarHBondContact NZ-OG 3.07Å; K331-M528 CarbonylContact C-O 3.55Å; K331-M528 WeakPolarHBondContact CA-O 3.43Å; K331-M528 WeakPolarHBondContact CB-O 3.46Å; K331-H530 HydrophobicContact CB-CB 4.42Å; K331-H530 HydrophobicContact CD-CB 4.14Å
332	T	98.8	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-90.4	115.8	165.8	-60.7	0	0	0	0	109.5	W517 R524 A527 M528 H530 I531	T332-W517 HydrophobicContact CG2-CH2 3.96Å; T332-W517 HydrophobicContact CG2-CZ2 3.96Å; T332-R524 WeakPolarHBondContact OG1-CB 3.47Å; T332-A527 WeakPolarHBondContact CB-O 3.46Å; T332-A527 PolarHBondContact OG1-O 3.35Å; T332-M528 PolarHBondContact N-O 2.96Å; T332-H530 PolarHBondContact O-N 3.41Å; T332-I531 HydrophobicContact CG2-CG2 4.05Å; T332-I531 PolarHBondContact O-N 2.96Å
333	Q	98.8	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.			trans	-119.3	158.1	176.5	-52.8	-79.1	11.1	0	0	109.3	L207 N208 T320 S321 D327 H530	L207-Q333 WeakPolarHBondContact CA-O 3.42Å; L207-Q333 WeakPolarHBondContact CD2-O 3.18Å; N208-Q333 HydrophobicContact CB-CB 4.13Å; N208-Q333 HydrophobicContact CB-CG 4.49Å; N208-Q333 PolarHBondContact N-O 2.73Å; N208-Q333 WeakPolarHBondContact OD1-CA 3.46Å; N208-Q333 WeakPolarHBondContact OD1-CB 3.22Å; N208-Q333 PolarHBondContact OD1-N 2.79Å; N208-Q333 PolarHBondContact OD1-O 3.18Å; T320-Q333 PolarHBondContact O-OE1 3.04Å; T320-Q333 WeakPolarHBondContact OG1-CA 3.21Å; T320-Q333 WeakPolarHBondContact OG1-CB 3.5Å; T320-Q333 PolarHBondContact OG1-OE1 3.37Å; S321-Q333 WeakPolarHBondContact OG-CB 3.34Å; S321-Q333 VanDerWaalsContact OG-CG 3.28Å; S321-Q333 WeakPolarHBondContact OG-CG 3.23Å; D327-Q333 VanDerWaalsContact CG-NE2 3.28Å; D327-Q333 VanDerWaalsContact O-CG 3.25Å; D327-Q333 WeakPolarHBondContact O-CG 3.46Å; D327-Q333 PolarHBondContact O-NE2 2.6Å; D327-Q333 PolarHBondContact OD2-NE2 2.87Å; Q333-H530 PolarHBondContact NE2-ND1 3.35Å; Q333-H530 PolarHBondContact OE1-ND1 3.16Å
334	G	98	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.8	171.1	0	0	0	0	0	111.5	Y206 L319 T320	Y206-G334 CarbonylContact O-C 3.55Å; Y206-G334 WeakPolarHBondContact O-CA 3.39Å; L319-G334 CarbonylContact C-O 3.59Å; L319-G334 WeakPolarHBondContact CA-O 3.44Å; T320-G334 PolarHBondContact N-O 2.89Å; T320-G334 PolarHBondContact OG1-N 3.28Å; T320-G334 PolarHBondContact OG1-O 3.12Å
335	M	97.3	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.1	171.3	69.4	-159.5	82	0	0	111.3	F205 Y206 N208 L222 I227 I317 I318 L319 W328	F205-M335 WeakPolarHBondContact CA-O 3.38Å; F205-M335 WeakPolarHBondContact CD2-O 3.44Å; Y206-M335 HydrophobicContact CD2-CG 4.41Å; Y206-M335 PolarHBondContact N-O 2.91Å; Y206-M335 PolarHBondContact O-N 3.45Å; N208-M335 HydrophobicContact CB-CE 4.38Å; L222-M335 HydrophobicContact CB-CE 4.06Å; L222-M335 HydrophobicContact CB-SD 3.91Å; L222-M335 HydrophobicContact CD1-SD 3.97Å; I227-M335 HydrophobicContact CD1-CE 4.47Å; I227-M335 HydrophobicContact CD1-SD 3.57Å; I227-M335 VanDerWaalsContact CD1-SD 3.57Å; I227-M335 HydrophobicContact CG1-SD 4.36Å; I317-M335 HydrophobicContact CG2-CB 4.42Å; I318-M335 CarbonylContact O-C 3.53Å; I318-M335 WeakPolarHBondContact O-CA 3.29Å; L319-M335 HydrophobicContact CB-CB 3.64Å; W328-M335 HydrophobicContact CH2-CE 4.39Å; W328-M335 HydrophobicContact CZ3-CE 4.12Å
336	W	98.1	Very high	97.1	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.2	157.6	167.2	74.3	0	0	0	109.1	R204 V316 I317 I318 F359 T390 V392 V578	R204-W336 WeakPolarHBondContact O-CA 3.31Å; V316-W336 HydrophobicContact CB-CZ3 4.16Å; V316-W336 HydrophobicContact CG1-CZ3 3.97Å; I317-W336 WeakPolarHBondContact CA-O 3.19Å; I317-W336 WeakPolarHBondContact CG2-O 3.45Å; I318-W336 HydrophobicContact CB-CE3 4.24Å; I318-W336 HydrophobicContact CD1-CE3 4.1Å; I318-W336 HydrophobicContact CD1-CZ3 4.04Å; I318-W336 HydrophobicContact CG1-CE3 4.23Å; I318-W336 HydrophobicContact CG1-CZ3 4.4Å; I318-W336 PolarHBondContact N-O 2.91Å; I318-W336 PolarHBondContact O-N 3.07Å; W336-F359 AromaticContact CH2-CE1 3.97Å; W336-F359 HydrophobicContact CH2-CE1 3.97Å; W336-F359 AromaticContact CH2-CE2 3.8Å; W336-F359 HydrophobicContact CH2-CE2 3.8Å; W336-F359 AromaticContact CH2-CZ 3.44Å; W336-F359 HydrophobicContact CH2-CZ 3.44Å; W336-F359 VanDerWaalsContact CH2-CZ 3.44Å; W336-F359 HydrophobicContact CZ3-CE1 4.33Å; W336-F359 AromaticContact CZ3-CE2 3.9Å; W336-F359 HydrophobicContact CZ3-CE2 3.9Å; W336-F359 AromaticContact CZ3-CZ 3.48Å; W336-F359 HydrophobicContact CZ3-CZ 3.48Å; W336-F359 VanDerWaalsContact CZ3-CZ 3.48Å; W336-T390 HydrophobicContact CH2-CG2 4.18Å; W336-T390 HydrophobicContact CZ2-CG2 3.94Å; W336-V392 HydrophobicContact CD2-CG2 4.15Å; W336-V392 HydrophobicContact CH2-CG2 4.18Å; W336-V392 HydrophobicContact CZ2-CG2 3.64Å; W336-V578 HydrophobicContact CB-CG2 3.51Å; W336-V578 HydrophobicContact CD2-CG1 4.14Å; W336-V578 HydrophobicContact CD2-CG2 4.29Å; W336-V578 HydrophobicContact CE3-CG1 3.83Å; W336-V578 HydrophobicContact CG-CG2 3.84Å; W336-V578 HydrophobicContact CZ3-CG1 4.31Å
337	M	97	Very high	96.9	Very high	5 Å²	5	34 Å²	34	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.6	173.9	-177.7	-171.7	-73.2	0	0	109.3	R204 Y206 L222 I227 F232 R315 I317	R204-M337 WeakPolarHBondContact CB-O 3.32Å; R204-M337 WeakPolarHBondContact CD-O 3.49Å; R204-M337 PolarHBondContact O-N 3.46Å; Y206-M337 HydrophobicContact CD2-CB 4.32Å; Y206-M337 HydrophobicContact CE2-CB 4.04Å; L222-M337 HydrophobicContact CD1-CE 3.78Å; I227-M337 HydrophobicContact CG1-CE 4.18Å; F232-M337 HydrophobicContact CD1-CE 4.21Å; F232-M337 HydrophobicContact CD1-SD 3.82Å; F232-M337 HydrophobicContact CE1-CE 3.79Å; F232-M337 HydrophobicContact CE1-SD 3.42Å; F232-M337 WeakPolarHBondContact CE1-SD 3.39Å; F232-M337 HydrophobicContact CZ-CE 4.14Å; F232-M337 HydrophobicContact CZ-SD 4.28Å; R315-M337 HydrophobicContact CG-CG 4.29Å; I317-M337 HydrophobicContact CD1-CE 4.08Å; I317-M337 HydrophobicContact CD1-CG 4.22Å; I317-M337 HydrophobicContact CG1-CG 4.11Å
338	S	97.4	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.			trans	-69.4	162.5	177.1	76.3	0	0	0	0	113	R315 V316 F341	R315-S338 WeakPolarHBondContact CA-OG 3.35Å; R315-S338 VanDerWaalsContact CG-OG 3.28Å; R315-S338 WeakPolarHBondContact CG-OG 3.5Å; R315-S338 PolarHBondContact NH1-O 3.27Å; R315-S338 VanDerWaalsContact NH1-O 3.11Å; V316-S338 PolarHBondContact N-OG 3.48Å; V316-S338 WeakPolarHBondContact O-CB 3.42Å; V316-S338 PolarHBondContact O-N 2.73Å; V316-S338 PolarHBondContact O-OG 3.44Å; S338-F341 VanDerWaalsContact CB-CE2 3.41Å; S338-F341 VanDerWaalsContact OG-CE2 3.28Å; S338-F341 WeakPolarHBondContact OG-CE2 3.3Å
339	P	94.9	Very high	96.5	Very high	8 Å²	8	39 Å²	39	5%	0.052	23%	0.228	C	C	.	.			trans	-48.6	164.9	154	-23.4	34.2	0	0	0	112	F341 E389	P339-F341 HydrophobicContact CB-CD1 4.38Å; P339-F341 HydrophobicContact CB-CE1 4.24Å; P339-F341 HydrophobicContact CG-CE1 4.26Å; P339-F341 PolarHBondContact O-N 3.01Å; P339-E389 HydrophobicContact CB-CB 4.44Å; P339-E389 WeakPolarHBondContact CB-OE2 3.48Å; P339-E389 HydrophobicContact CG-CB 3.97Å
340	L	96.7	Very high	95.8	Very high	67 Å²	67	45.9 Å²	45.9	35%	0.351	26%	0.261	S	S	.	.			trans	-76.2	113.5	163.1	179.3	63.5	0	0	0	107.2	Y310 E312 P342	Y310-L340 HydrophobicContact CD2-CD1 4.02Å; Y310-L340 HydrophobicContact CE2-CD1 4.26Å; E312-L340 HydrophobicContact CB-CD2 3.94Å; L340-P342 WeakPolarHBondContact O-CD 3.46Å
341	F	98.1	Very high	95.4	Very high	2 Å²	2	50 Å²	50	1%	0.009	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-81.6	115.4	178.4	-60.3	-47.8	0	0	0	109.1	G313 F314 V316 S338 P339 H385 D386 L387 T390	G313-F341 CarbonylContact C-O 3.39Å; G313-F341 VanDerWaalsContact CA-O 3.24Å; G313-F341 WeakPolarHBondContact CA-O 3.38Å; F314-F341 HydrophobicContact CB-CB 4.38Å; F314-F341 HydrophobicContact CD1-CD2 4.42Å; F314-F341 PolarHBondContact N-O 2.88Å; F314-F341 WeakPolarHBondContact O-CB 3.1Å; F314-F341 PolarHBondContact O-N 3.37Å; V316-F341 HydrophobicContact CB-CE2 4.41Å; V316-F341 HydrophobicContact CG2-CE2 4.02Å; S338-F341 VanDerWaalsContact CB-CE2 3.41Å; S338-F341 VanDerWaalsContact OG-CE2 3.28Å; S338-F341 WeakPolarHBondContact OG-CE2 3.3Å; P339-F341 HydrophobicContact CB-CD1 4.38Å; P339-F341 HydrophobicContact CB-CE1 4.24Å; P339-F341 HydrophobicContact CG-CE1 4.26Å; P339-F341 PolarHBondContact O-N 3.01Å; F341-H385 HydrophobicContact CB-CB 4.25Å; F341-H385 PolarHBondContact O-CD2 3.25Å; F341-D386 WeakPolarHBondContact CA-O 3.3Å; F341-D386 WeakPolarHBondContact CB-O 3.32Å; F341-D386 WeakPolarHBondContact CD1-O 3.43Å; F341-L387 HydrophobicContact CB-CD1 4.2Å; F341-L387 HydrophobicContact CB-CG 4.5Å; F341-L387 HydrophobicContact CD1-CB 4.27Å; F341-L387 HydrophobicContact CD1-CG 4.02Å; F341-L387 HydrophobicContact CD2-CD1 4.1Å; F341-L387 HydrophobicContact CD2-CD2 4.38Å; F341-L387 HydrophobicContact CD2-CG 3.72Å; F341-L387 HydrophobicContact CE1-CB 4.1Å; F341-L387 HydrophobicContact CE1-CG 4.03Å; F341-L387 HydrophobicContact CE2-CD2 4.08Å; F341-L387 HydrophobicContact CE2-CG 3.72Å; F341-L387 HydrophobicContact CG-CD1 4.07Å; F341-L387 HydrophobicContact CG-CG 3.83Å; F341-L387 HydrophobicContact CZ-CB 4.23Å; F341-L387 HydrophobicContact CZ-CD2 4.37Å; F341-L387 HydrophobicContact CZ-CG 3.85Å; F341-T390 WeakPolarHBondContact CE1-OG1 3.27Å; F341-T390 VanDerWaalsContact CZ-OG1 3.25Å; F341-T390 WeakPolarHBondContact CZ-OG1 3.33Å
342	P	97.9	Very high	95.3	Very high	71 Å²	71	51.5 Å²	51.5	46%	0.461	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-72.3	162	178.1	31.6	-35.1	0	0	0	110.7	L340 H385 D386	L340-P342 WeakPolarHBondContact O-CD 3.46Å; P342-H385 CarbonylContact O-C 3.53Å; P342-H385 VanDerWaalsContact O-CA 3.3Å; P342-H385 WeakPolarHBondContact O-CA 3.11Å; P342-H385 WeakPolarHBondContact O-CB 3.35Å; P342-H385 PolarHBondContact O-CD2 2.97Å; P342-D386 HydrophobicContact CG-CB 4.08Å; P342-D386 PolarHBondContact O-N 3.01Å
343	R	97.8	Very high	95.2	Very high	148 Å²	148	52.1 Å²	52.1	56%	0.558	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-73.7	139.5	172.4	-157.4	-178.8	-171.3	-154.2	3.8	109.9	E384	R343-E384 VanDerWaalsContact CG-O 3.29Å; R343-E384 WeakPolarHBondContact CG-O 3.39Å; R343-E384 IonicContact CZ-OE2 2.94Å; R343-E384 IonicContact NE-OE2 3.38Å; R343-E384 PolarHBondContact NE-OE2 2.95Å; R343-E384 IonicContact NH2-OE2 2.84Å; R343-E384 PolarHBondContact NH2-OE2 2.97Å
344	L	97.8	Very high	95.2	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.126	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.8	153.6	173.8	-74.9	165.7	0	0	0	111.2	E384 D386	L344-E384 WeakPolarHBondContact CB-O 3.33Å; L344-E384 PolarHBondContact N-O 2.99Å; L344-D386 HydrophobicContact CD2-CB 3.81Å; L344-D386 HydrophobicContact CG-CB 4.16Å
345	P	95.8	Very high	95.2	Very high	97 Å²	97	54.6 Å²	54.6	63%	0.63	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.1	169.3	-23.6	34	0	0	0	112.5	S348	P345-S348 VanDerWaalsContact O-CB 3.31Å; P345-S348 WeakPolarHBondContact O-CB 3.47Å; P345-S348 PolarHBondContact O-N 3.32Å; P345-S348 PolarHBondContact O-OG 3.07Å
346	E	92.4	Very high	95.2	Very high	184 Å²	184	59.7 Å²	59.7	86%	0.86	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	140.6	172.7	-63.7	-173.1	170.8	0	0	111.1	S348	E346-S348 VanDerWaalsContact C-N 3.32Å
347	G	90.8	Very high	95.2	Very high	88 Å²	88	59.4 Å²	59.4	91%	0.907	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	3.5	-174.8	0	0	0	0	0	115.5
348	S	94.3	Very high	95.3	Very high	48 Å²	48	63.7 Å²	63.7	34%	0.336	37%	0.37	S	S	.	.			trans	-58.2	149.6	171.2	-64.6	0	0	0	0	112.5	P345 E346	P345-S348 VanDerWaalsContact O-CB 3.31Å; P345-S348 WeakPolarHBondContact O-CB 3.47Å; P345-S348 PolarHBondContact O-N 3.32Å; P345-S348 PolarHBondContact O-OG 3.07Å; E346-S348 VanDerWaalsContact C-N 3.32Å
349	S	91.8	Very high	95.4	Very high	58 Å²	58	63.7 Å²	63.7	41%	0.406	37%	0.37	S	S	.	.			trans	-74.3	158.7	178.6	67.7	0	0	0	0	112	S351 S352	S349-S351 PolarHBondContact O-N 2.98Å; S349-S351 VanDerWaalsContact O-N 3.07Å; S349-S351 PolarHBondContact OG-OG 2.87Å; S349-S352 PolarHBondContact N-OG 3.47Å; S349-S352 VanDerWaalsContact O-CB 3.28Å; S349-S352 WeakPolarHBondContact O-CB 3.35Å; S349-S352 PolarHBondContact O-N 3.05Å; S349-S352 PolarHBondContact O-OG 3.33Å; S349-S352 PolarHBondContact OG-N 2.97Å; S349-S352 PolarHBondContact OG-OG 3.05Å
350	E	83	Confident	95.6	Very high	149 Å²	149	63.5 Å²	63.5	70%	0.696	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	173.6	-62.2	-159.3	109.9	0	0	113.4	K383	E350-K383 WeakPolarHBondContact OE1-CE 3.19Å; E350-K383 IonicContact OE1-NZ 2.69Å; E350-K383 PolarHBondContact OE1-NZ 2.77Å
351	S	88.4	Confident	95.6	Very high	91 Å²	91	65.3 Å²	65.3	64%	0.636	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.1	175.2	54.1	0	0	0	0	114.9	S349	S349-S351 PolarHBondContact O-N 2.98Å; S349-S351 VanDerWaalsContact O-N 3.07Å; S349-S351 PolarHBondContact OG-OG 2.87Å
352	S	95.9	Very high	95.7	Very high	35 Å²	35	65.6 Å²	65.6	25%	0.245	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	145	178.9	-67.9	0	0	0	0	111.7	S349 E354 K360	S349-S352 PolarHBondContact N-OG 3.47Å; S349-S352 VanDerWaalsContact O-CB 3.28Å; S349-S352 WeakPolarHBondContact O-CB 3.35Å; S349-S352 PolarHBondContact O-N 3.05Å; S349-S352 PolarHBondContact O-OG 3.33Å; S349-S352 PolarHBondContact OG-N 2.97Å; S349-S352 PolarHBondContact OG-OG 3.05Å; S352-E354 VanDerWaalsContact C-N 3.34Å; S352-E354 PolarHBondContact O-N 3.06Å; S352-K360 PolarHBondContact O-NZ 3.16Å
353	G	97.4	Very high	95.7	Very high	12 Å²	12	62.2 Å²	62.2	12%	0.124	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	28.3	179.5	0	0	0	0	0	115	K360 D386 L387 S388	G353-K360 VanDerWaalsContact O-CD 3.28Å; G353-K360 WeakPolarHBondContact O-CD 3.43Å; G353-D386 VanDerWaalsContact CA-CG 3.49Å; G353-D386 WeakPolarHBondContact CA-OD1 3.17Å; G353-L387 CarbonylContact O-C 3.56Å; G353-L387 WeakPolarHBondContact O-CA 3.32Å; G353-L387 PolarHBondContact O-N 3.24Å; G353-S388 PolarHBondContact O-N 2.64Å
354	E	98.3	Very high	95.7	Very high	48 Å²	48	56.5 Å²	56.5	22%	0.224	33%	0.33	C	S	.	.			trans	-84.4	147.8	169	179.3	60.1	-74.5	0	0	111.1	S352 F358 F359 K360 R361 S388	S352-E354 VanDerWaalsContact C-N 3.34Å; S352-E354 PolarHBondContact O-N 3.06Å; E354-F358 VanDerWaalsContact CD-CA 3.44Å; E354-F358 HydrophobicContact CG-CD1 3.98Å; E354-F358 WeakPolarHBondContact OE1-CA 3.43Å; E354-F359 PolarHBondContact OE1-N 3.25Å; E354-K360 WeakPolarHBondContact OE1-CB 3.43Å; E354-K360 PolarHBondContact OE1-N 3.46Å; E354-R361 WeakPolarHBondContact OE2-CB 3.47Å; E354-R361 PolarHBondContact OE2-N 3.19Å; E354-S388 WeakPolarHBondContact O-CA 3.23Å; E354-S388 VanDerWaalsContact O-CB 3.32Å; E354-S388 WeakPolarHBondContact O-CB 3.47Å
355	S	98.3	Very high	95.8	Very high	5 Å²	5	58.1 Å²	58.1	4%	0.035	34%	0.337	C	S	.	.			trans	-91.9	161.4	179.8	77.5	0	0	0	0	113.3	T357 F358 F359 S388 T390	S355-T357 PolarHBondContact O-N 3.21Å; S355-T357 PolarHBondContact OG-N 3.09Å; S355-T357 PolarHBondContact OG-OG1 2.98Å; S355-F358 PolarHBondContact O-N 2.82Å; S355-F358 PolarHBondContact OG-N 3.02Å; S355-F359 PolarHBondContact OG-N 3.33Å; S355-S388 WeakPolarHBondContact CB-O 3.35Å; S355-T390 VanDerWaalsContact CB-O 3.24Å; S355-T390 WeakPolarHBondContact CB-O 3.47Å; S355-T390 PolarHBondContact OG-O 2.55Å
356	P	97.7	Very high	95.9	Very high	106 Å²	106	53.5 Å²	53.5	69%	0.688	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.5	169.3	-24.2	35	0	0	0	114.5	S388	P356-S388 WeakPolarHBondContact CD-O 3.3Å
357	T	98.4	Very high	96.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.9	176.6	64.5	0	0	0	0	114	S355 F359 T390 V392 Y393 A584	S355-T357 PolarHBondContact O-N 3.21Å; S355-T357 PolarHBondContact OG-N 3.09Å; S355-T357 PolarHBondContact OG-OG1 2.98Å; T357-F359 PolarHBondContact O-N 2.96Å; T357-T390 PolarHBondContact OG1-O 2.99Å; T357-V392 VanDerWaalsContact CB-O 3.27Å; T357-V392 WeakPolarHBondContact CB-O 3.44Å; T357-V392 PolarHBondContact OG1-O 3.34Å; T357-Y393 VanDerWaalsContact CA-CE1 3.48Å; T357-Y393 HydrophobicContact CG2-CD1 4.09Å; T357-Y393 HydrophobicContact CG2-CD2 3.95Å; T357-Y393 HydrophobicContact CG2-CE1 3.9Å; T357-Y393 HydrophobicContact CG2-CE2 3.73Å; T357-Y393 HydrophobicContact CG2-CG 4.12Å; T357-Y393 VanDerWaalsContact O-CD1 3.29Å; T357-Y393 WeakPolarHBondContact O-CD1 3.33Å; T357-A584 HydrophobicContact CG2-CB 4.02Å
358	F	98.4	Very high	96.6	Very high	94 Å²	94	43 Å²	43	41%	0.412	24%	0.244	S	C	.	.			trans	55.6	30.7	-173.7	-63.3	-80.6	0	0	0	115	E354 S355 K360 R361 D362	E354-F358 VanDerWaalsContact CD-CA 3.44Å; E354-F358 HydrophobicContact CG-CD1 3.98Å; E354-F358 WeakPolarHBondContact OE1-CA 3.43Å; S355-F358 PolarHBondContact O-N 2.82Å; S355-F358 PolarHBondContact OG-N 3.02Å; F358-K360 VanDerWaalsContact C-N 3.28Å; F358-K360 PolarHBondContact O-N 2.91Å; F358-R361 VanDerWaalsContact CB-CZ 3.41Å; F358-D362 WeakPolarHBondContact O-CB 3.45Å; F358-D362 PolarHBondContact O-N 3.27Å
359	F	98.8	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-32.1	-174.1	-174.9	-85.3	0	0	0	112.5	V316 I318 W336 E354 S355 T357 L363 L387 T390 V392 L394 V578	V316-F359 HydrophobicContact CG1-CZ 4.27Å; I318-F359 HydrophobicContact CD1-CE2 4.4Å; I318-F359 HydrophobicContact CD1-CZ 4.21Å; W336-F359 AromaticContact CH2-CE1 3.97Å; W336-F359 HydrophobicContact CH2-CE1 3.97Å; W336-F359 AromaticContact CH2-CE2 3.8Å; W336-F359 HydrophobicContact CH2-CE2 3.8Å; W336-F359 AromaticContact CH2-CZ 3.44Å; W336-F359 HydrophobicContact CH2-CZ 3.44Å; W336-F359 VanDerWaalsContact CH2-CZ 3.44Å; W336-F359 HydrophobicContact CZ3-CE1 4.33Å; W336-F359 AromaticContact CZ3-CE2 3.9Å; W336-F359 HydrophobicContact CZ3-CE2 3.9Å; W336-F359 AromaticContact CZ3-CZ 3.48Å; W336-F359 HydrophobicContact CZ3-CZ 3.48Å; W336-F359 VanDerWaalsContact CZ3-CZ 3.48Å; E354-F359 PolarHBondContact OE1-N 3.25Å; S355-F359 PolarHBondContact OG-N 3.33Å; T357-F359 PolarHBondContact O-N 2.96Å; F359-L363 HydrophobicContact CE1-CB 4.37Å; F359-L363 HydrophobicContact CE1-CD2 3.88Å; F359-L363 HydrophobicContact CZ-CD2 4.5Å; F359-L363 VanDerWaalsContact O-CB 3.24Å; F359-L363 WeakPolarHBondContact O-CB 3.45Å; F359-L363 PolarHBondContact O-N 2.76Å; F359-L387 HydrophobicContact CD1-CD2 4.12Å; F359-L387 HydrophobicContact CE1-CD2 4.39Å; F359-T390 HydrophobicContact CB-CG2 3.63Å; F359-T390 HydrophobicContact CD1-CG2 3.88Å; F359-T390 HydrophobicContact CD2-CG2 3.67Å; F359-T390 HydrophobicContact CE1-CG2 4.48Å; F359-T390 HydrophobicContact CE2-CG2 4.28Å; F359-T390 HydrophobicContact CG-CG2 3.45Å; F359-T390 VanDerWaalsContact CG-CG2 3.45Å; F359-V392 HydrophobicContact CD2-CG2 4.25Å; F359-V392 HydrophobicContact CE2-CG2 4.23Å; F359-L394 HydrophobicContact CD2-CB 4.17Å; F359-L394 HydrophobicContact CD2-CD1 4.36Å; F359-L394 HydrophobicContact CE2-CB 4.32Å; F359-L394 HydrophobicContact CE2-CD1 3.67Å; F359-L394 HydrophobicContact CZ-CD1 4.16Å; F359-V578 HydrophobicContact CE2-CG1 4.19Å
360	K	98.8	Very high	97.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-68.3	-52.7	179.6	-173.8	170.7	172.9	170.2	0	110.7	S352 G353 E354 F358 D362 L363 L364 I382 K383 H385 L387	S352-K360 PolarHBondContact O-NZ 3.16Å; G353-K360 VanDerWaalsContact O-CD 3.28Å; G353-K360 WeakPolarHBondContact O-CD 3.43Å; E354-K360 WeakPolarHBondContact OE1-CB 3.43Å; E354-K360 PolarHBondContact OE1-N 3.46Å; F358-K360 VanDerWaalsContact C-N 3.28Å; F358-K360 PolarHBondContact O-N 2.91Å; K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 PolarHBondContact O-N 2.76Å; K360-L363 PolarHBondContact O-N 2.9Å; K360-L364 HydrophobicContact CG-CD1 3.92Å; K360-L364 WeakPolarHBondContact O-CB 3.38Å; K360-L364 WeakPolarHBondContact O-CD1 3.28Å; K360-L364 WeakPolarHBondContact O-CG 3.5Å; K360-L364 PolarHBondContact O-N 3.28Å; K360-I382 VanDerWaalsContact CE-O 3.23Å; K360-I382 WeakPolarHBondContact CE-O 3.44Å; K360-I382 HydrophobicContact CG-CG2 4.35Å; K360-K383 PolarHBondContact NZ-O 3.44Å; K360-H385 PolarHBondContact NZ-O 2.98Å; K360-L387 HydrophobicContact CB-CB 4.1Å; K360-L387 HydrophobicContact CB-CD2 4.11Å; K360-L387 HydrophobicContact CD-CB 4.36Å; K360-L387 HydrophobicContact CD-CD1 4.32Å; K360-L387 HydrophobicContact CG-CB 4.48Å; K360-L387 HydrophobicContact CG-CD2 4.19Å
361	R	98.3	Very high	97.7	Very high	105 Å²	105	42 Å²	42	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-53.7	-50.5	173.5	179.5	-163.6	71	-143.1	-6.7	111.1	E354 F358 L363 L364 E365	E354-R361 WeakPolarHBondContact OE2-CB 3.47Å; E354-R361 PolarHBondContact OE2-N 3.19Å; F358-R361 VanDerWaalsContact CB-CZ 3.41Å; R361-L363 VanDerWaalsContact C-N 3.35Å; R361-L363 PolarHBondContact O-N 3.17Å; R361-L364 PolarHBondContact O-N 3.23Å; R361-E365 WeakPolarHBondContact O-CB 3.45Å; R361-E365 PolarHBondContact O-N 3.46Å
362	D	98.7	Very high	98.1	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-31.9	-171.8	-66.1	-23.1	0	0	0	112.1	F358 K360 Y366 L394 R414	F358-D362 WeakPolarHBondContact O-CB 3.45Å; F358-D362 PolarHBondContact O-N 3.27Å; K360-D362 VanDerWaalsContact C-N 3.33Å; K360-D362 PolarHBondContact O-N 2.76Å; D362-Y366 VanDerWaalsContact O-CB 3.27Å; D362-Y366 WeakPolarHBondContact O-CB 3.13Å; D362-Y366 PolarHBondContact O-N 3.47Å; D362-L394 HydrophobicContact CB-CB 4.04Å; D362-L394 HydrophobicContact CB-CD2 4.14Å; D362-L394 WeakPolarHBondContact O-CD2 3.29Å; D362-R414 IonicContact OD1-NH1 2.64Å; D362-R414 IonicContact OD2-CZ 3.92Å; D362-R414 VanDerWaalsContact OD2-CZ 3.29Å; D362-R414 IonicContact OD2-NH1 2.86Å; D362-R414 PolarHBondContact OD2-NH1 2.75Å; D362-R414 VanDerWaalsContact OD2-NH1 3.09Å; D362-R414 IonicContact OD2-NH2 2.68Å; D362-R414 PolarHBondContact OD2-NH2 3.24Å
363	L	98.9	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-40.2	171	-179.6	60.2	0	0	0	112.1	M305 V316 F359 K360 R361 Y366 L367 I382 L394	M305-L363 HydrophobicContact CE-CD1 4.16Å; M305-L363 HydrophobicContact SD-CD1 3.96Å; V316-L363 HydrophobicContact CG1-CD2 4.36Å; V316-L363 HydrophobicContact CG2-CD2 3.76Å; F359-L363 HydrophobicContact CE1-CB 4.37Å; F359-L363 HydrophobicContact CE1-CD2 3.88Å; F359-L363 HydrophobicContact CZ-CD2 4.5Å; F359-L363 VanDerWaalsContact O-CB 3.24Å; F359-L363 WeakPolarHBondContact O-CB 3.45Å; F359-L363 PolarHBondContact O-N 2.76Å; K360-L363 PolarHBondContact O-N 2.9Å; R361-L363 VanDerWaalsContact C-N 3.35Å; R361-L363 PolarHBondContact O-N 3.17Å; L363-Y366 PolarHBondContact O-N 2.66Å; L363-L367 HydrophobicContact CD1-CD1 4.32Å; L363-L367 HydrophobicContact CD1-CG 4.33Å; L363-L367 HydrophobicContact CG-CD1 4.24Å; L363-L367 WeakPolarHBondContact O-CG 3.35Å; L363-L367 PolarHBondContact O-N 2.92Å; L363-I382 HydrophobicContact CD2-CD1 3.92Å; L363-I382 HydrophobicContact CG-CD1 4.25Å; L363-L394 HydrophobicContact CB-CD2 4.19Å
364	L	98.7	Very high	98.1	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-43.6	175.6	-70.7	166.1	0	0	0	111.4	K360 R361 L367 A368 I379 I382 K383	K360-L364 HydrophobicContact CG-CD1 3.92Å; K360-L364 WeakPolarHBondContact O-CB 3.38Å; K360-L364 WeakPolarHBondContact O-CD1 3.28Å; K360-L364 WeakPolarHBondContact O-CG 3.5Å; K360-L364 PolarHBondContact O-N 3.28Å; R361-L364 PolarHBondContact O-N 3.23Å; L364-L367 PolarHBondContact O-N 3.46Å; L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 3.46Å; L364-I379 HydrophobicContact CD2-CB 4.29Å; L364-I379 HydrophobicContact CD2-CG2 3.78Å; L364-I379 VanDerWaalsContact CD2-O 3.3Å; L364-I379 WeakPolarHBondContact CD2-O 3.32Å; L364-I382 HydrophobicContact CD2-CB 3.93Å; L364-I382 HydrophobicContact CD2-CG2 3.74Å; L364-I382 HydrophobicContact CG-CG2 3.97Å; L364-K383 HydrophobicContact CD1-CG 4.15Å; L364-K383 HydrophobicContact CD2-CG 4.1Å
365	E	98.4	Very high	98	Very high	58 Å²	58	41.1 Å²	41.1	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-41.8	174.1	-172	178.5	165.1	0	0	111.4	R361 L367 A368 S369 R409 W410	R361-E365 WeakPolarHBondContact O-CB 3.45Å; R361-E365 PolarHBondContact O-N 3.46Å; E365-L367 PolarHBondContact O-N 2.95Å; E365-A368 PolarHBondContact O-N 2.93Å; E365-S369 PolarHBondContact O-N 3.29Å; E365-R409 WeakPolarHBondContact OE1-CD 3.36Å; E365-R409 IonicContact OE1-CZ 3.75Å; E365-R409 IonicContact OE1-NE 3.81Å; E365-R409 IonicContact OE1-NH1 2.84Å; E365-R409 PolarHBondContact OE1-NH1 3.16Å; E365-R409 IonicContact OE2-NH1 2.69Å; E365-W410 HydrophobicContact CG-CH2 4Å; E365-W410 HydrophobicContact CG-CZ2 4.1Å
366	Y	98.9	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-46	176.1	-178.4	-107.8	0	0	0	112.5	T303 D362 L363 S369 Y370 A396 T398 W410 Y574 L576	T303-Y366 WeakPolarHBondContact CB-OH 3.45Å; T303-Y366 HydrophobicContact CG2-CE1 4.27Å; T303-Y366 PolarHBondContact OG1-OH 3.49Å; D362-Y366 VanDerWaalsContact O-CB 3.27Å; D362-Y366 WeakPolarHBondContact O-CB 3.13Å; D362-Y366 PolarHBondContact O-N 3.47Å; L363-Y366 PolarHBondContact O-N 2.66Å; Y366-S369 WeakPolarHBondContact O-CB 3.09Å; Y366-S369 PolarHBondContact O-N 3.44Å; Y366-S369 PolarHBondContact O-OG 3.32Å; Y366-Y370 HydrophobicContact CD1-CE2 4.38Å; Y366-Y370 AromaticContact CE1-CE2 3.82Å; Y366-Y370 HydrophobicContact CE1-CE2 3.82Å; Y366-Y370 AromaticContact CZ-CE2 3.9Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.43Å; Y366-Y370 PolarHBondContact OH-OH 3.43Å; Y366-Y370 VanDerWaalsContact OH-OH 3.1Å; Y366-A396 HydrophobicContact CD2-CB 3.57Å; Y366-A396 HydrophobicContact CE2-CB 3.91Å; Y366-A396 HydrophobicContact CG-CB 4.33Å; Y366-T398 HydrophobicContact CD2-CG2 3.7Å; Y366-T398 HydrophobicContact CE2-CG2 3.63Å; Y366-W410 HydrophobicContact CD2-CH2 4.41Å; Y366-W410 AromaticContact CD2-CZ3 3.87Å; Y366-W410 HydrophobicContact CD2-CZ3 3.87Å; Y366-Y574 HydrophobicContact CE2-CD1 4.45Å; Y366-L576 HydrophobicContact CD1-CD1 3.99Å; Y366-L576 HydrophobicContact CD1-CD2 4.25Å; Y366-L576 HydrophobicContact CD2-CD1 4.17Å; Y366-L576 HydrophobicContact CE1-CD1 3.95Å; Y366-L576 HydrophobicContact CE1-CD2 3.92Å; Y366-L576 HydrophobicContact CE1-CG 4.43Å; Y366-L576 HydrophobicContact CE2-CD1 4.13Å; Y366-L576 HydrophobicContact CG-CD1 4.1Å
367	L	98.8	Very high	97.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-42.7	177.7	-68.4	171.4	0	0	0	111.8	F241 M305 L307 L363 L364 E365 S369 Y370 L375 I379 I382	F241-L367 HydrophobicContact CE1-CD2 3.93Å; F241-L367 HydrophobicContact CE2-CD2 4.26Å; F241-L367 HydrophobicContact CZ-CD2 3.38Å; M305-L367 HydrophobicContact CE-CD2 4.08Å; L307-L367 HydrophobicContact CD1-CD1 4.24Å; L307-L367 HydrophobicContact CD1-CD2 4.4Å; L363-L367 HydrophobicContact CD1-CD1 4.32Å; L363-L367 HydrophobicContact CD1-CG 4.33Å; L363-L367 HydrophobicContact CG-CD1 4.24Å; L363-L367 WeakPolarHBondContact O-CG 3.35Å; L363-L367 PolarHBondContact O-N 2.92Å; L364-L367 PolarHBondContact O-N 3.46Å; E365-L367 PolarHBondContact O-N 2.95Å; L367-S369 PolarHBondContact O-N 3.24Å; L367-Y370 WeakPolarHBondContact O-CB 3.26Å; L367-Y370 WeakPolarHBondContact O-CD2 3.47Å; L367-Y370 PolarHBondContact O-N 2.84Å; L367-Y370 VanDerWaalsContact O-N 3.17Å; L367-L375 HydrophobicContact CD2-CD1 4.28Å; L367-I379 HydrophobicContact CB-CD1 3.96Å; L367-I379 HydrophobicContact CB-CG1 3.66Å; L367-I379 HydrophobicContact CD1-CG1 4.24Å; L367-I382 HydrophobicContact CD1-CD1 3.39Å
368	A	98.4	Very high	97.9	Very high	52 Å²	52	45.2 Å²	45.2	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-60.2	-27.3	176.5	0	0	0	0	0	113	L364 E365 Y370 R371 I379	L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 3.46Å; E365-A368 PolarHBondContact O-N 2.93Å; A368-Y370 PolarHBondContact O-N 2.89Å; A368-Y370 VanDerWaalsContact O-N 3.16Å; A368-R371 PolarHBondContact O-N 2.93Å; A368-R371 VanDerWaalsContact O-N 3.08Å; A368-I379 HydrophobicContact CB-CD1 4.31Å
369	S	98.1	Very high	97.9	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	177	82.3	0	0	0	0	114.4	E365 Y366 L367 R371 T398	E365-S369 PolarHBondContact O-N 3.29Å; Y366-S369 WeakPolarHBondContact O-CB 3.09Å; Y366-S369 PolarHBondContact O-N 3.44Å; Y366-S369 PolarHBondContact O-OG 3.32Å; L367-S369 PolarHBondContact O-N 3.24Å; S369-R371 VanDerWaalsContact C-N 3.29Å; S369-R371 PolarHBondContact O-N 3.32Å; S369-T398 WeakPolarHBondContact OG-CG2 3.49Å
370	Y	98.3	Very high	97.8	Very high	2 Å²	2	46 Å²	46	1%	0.008	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.8	177.8	-74.3	-107.9	0	0	0	112.5	F241 V266 A292 H301 Y366 L367 A368 T372 L375 Y574	F241-Y370 HydrophobicContact CD1-CE1 4.42Å; F241-Y370 HydrophobicContact CE1-CE1 4.25Å; F241-Y370 HydrophobicContact CE1-CE2 4.23Å; F241-Y370 AromaticContact CE1-CZ 3.87Å; V266-Y370 HydrophobicContact CG1-CD1 4.15Å; V266-Y370 HydrophobicContact CG1-CE1 3.61Å; A292-Y370 HydrophobicContact CB-CD1 3.89Å; A292-Y370 HydrophobicContact CB-CE1 3.7Å; H301-Y370 AromaticContact CD2-CE1 3.75Å; H301-Y370 PolarHBondContact CD2-OH 2.91Å; H301-Y370 AromaticContact NE2-CE1 3.53Å; H301-Y370 AromaticContact NE2-CZ 3.63Å; H301-Y370 PolarHBondContact NE2-OH 2.91Å; Y366-Y370 HydrophobicContact CD1-CE2 4.38Å; Y366-Y370 AromaticContact CE1-CE2 3.82Å; Y366-Y370 HydrophobicContact CE1-CE2 3.82Å; Y366-Y370 AromaticContact CZ-CE2 3.9Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.43Å; Y366-Y370 PolarHBondContact OH-OH 3.43Å; Y366-Y370 VanDerWaalsContact OH-OH 3.1Å; L367-Y370 WeakPolarHBondContact O-CB 3.26Å; L367-Y370 WeakPolarHBondContact O-CD2 3.47Å; L367-Y370 PolarHBondContact O-N 2.84Å; L367-Y370 VanDerWaalsContact O-N 3.17Å; A368-Y370 PolarHBondContact O-N 2.89Å; A368-Y370 VanDerWaalsContact O-N 3.16Å; Y370-T372 PolarHBondContact O-N 3.17Å; Y370-L375 HydrophobicContact CD1-CD1 4.11Å; Y370-L375 HydrophobicContact CD2-CD1 4.08Å; Y370-L375 HydrophobicContact CG-CD1 3.74Å; Y370-Y574 HydrophobicContact CD1-CE1 4.16Å; Y370-Y574 AromaticContact CD2-CE1 3.97Å; Y370-Y574 HydrophobicContact CD2-CE1 3.97Å; Y370-Y574 HydrophobicContact CE1-CD1 4.17Å; Y370-Y574 AromaticContact CE1-CE1 4Å; Y370-Y574 HydrophobicContact CE1-CE1 4Å; Y370-Y574 AromaticContact CE2-CD1 3.87Å; Y370-Y574 HydrophobicContact CE2-CD1 3.87Å; Y370-Y574 AromaticContact CE2-CE1 3.78Å; Y370-Y574 HydrophobicContact CE2-CE1 3.78Å; Y370-Y574 HydrophobicContact CG-CE1 4.15Å; Y370-Y574 AromaticContact CZ-CD1 3.67Å; Y370-Y574 AromaticContact CZ-CE1 3.8Å
371	R	96.8	Very high	97.7	Very high	206 Å²	206	47 Å²	47	78%	0.777	23%	0.231	S	C	*	.			trans	50.2	55.8	178.8	-55.8	173.7	-173.9	178.9	0.8	111.8	K293 A368 S369	K293-R371 PolarHBondContact NZ-O 2.84Å; A368-R371 PolarHBondContact O-N 2.93Å; A368-R371 VanDerWaalsContact O-N 3.08Å; S369-R371 VanDerWaalsContact C-N 3.29Å; S369-R371 PolarHBondContact O-N 3.32Å
372	T	95.3	Very high	97.7	Very high	18 Å²	18	42 Å²	42	11%	0.11	21%	0.212	C	C	.	.			trans	-146.5	129.4	-171.9	-151.8	0	0	0	0	110.1	C290 Y370 E374 L375	C290-T372 VanDerWaalsContact SG-CG2 3.52Å; Y370-T372 PolarHBondContact O-N 3.17Å; T372-E374 WeakPolarHBondContact CB-OE2 3.07Å; T372-E374 PolarHBondContact O-N 3.04Å; T372-E374 PolarHBondContact OG1-OE2 3.49Å; T372-L375 HydrophobicContact CG2-CB 4.45Å; T372-L375 HydrophobicContact CG2-CD1 4.08Å; T372-L375 HydrophobicContact CG2-CG 4.05Å; T372-L375 PolarHBondContact O-N 3.08Å
373	P	95.9	Very high	97.6	Very high	92 Å²	92	44.7 Å²	44.7	60%	0.597	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-68.4	-19.5	-167.7	27.7	-36.3	0	0	0	113.9	L375 D376	P373-L375 PolarHBondContact O-N 3.43Å; P373-L375 VanDerWaalsContact O-N 3.13Å; P373-D376 WeakPolarHBondContact CA-OD2 3.42Å; P373-D376 PolarHBondContact O-N 3.27Å; P373-D376 VanDerWaalsContact O-N 3.14Å
374	E	97.1	Very high	97.5	Very high	56 Å²	56	47.4 Å²	47.4	26%	0.262	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-63.4	-16.2	176.6	-55.4	89.8	158.4	0	0	113.3	L264 C290 T372	L264-E374 HydrophobicContact CD1-CB 4.22Å; L264-E374 HydrophobicContact CD2-CB 4.02Å; L264-E374 WeakPolarHBondContact CD2-O 3.29Å; C290-E374 HydrophobicContact CB-CB 4.03Å; C290-E374 HydrophobicContact CB-CG 4.31Å; T372-E374 WeakPolarHBondContact CB-OE2 3.07Å; T372-E374 PolarHBondContact O-N 3.04Å; T372-E374 PolarHBondContact OG1-OE2 3.49Å
375	L	98.3	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-102.9	-8.4	176.2	-64.7	-179.8	0	0	0	113.9	V239 F241 L264 V266 L367 Y370 T372 P373 E377 W378 I379	V239-L375 HydrophobicContact CG1-CD2 4.43Å; F241-L375 HydrophobicContact CE1-CD1 4.15Å; F241-L375 HydrophobicContact CE1-CD2 4.4Å; F241-L375 HydrophobicContact CZ-CD1 4.23Å; F241-L375 HydrophobicContact CZ-CD2 3.8Å; L264-L375 HydrophobicContact CD2-CD2 3.9Å; V266-L375 HydrophobicContact CG2-CD2 4.12Å; L367-L375 HydrophobicContact CD2-CD1 4.28Å; Y370-L375 HydrophobicContact CD1-CD1 4.11Å; Y370-L375 HydrophobicContact CD2-CD1 4.08Å; Y370-L375 HydrophobicContact CG-CD1 3.74Å; T372-L375 HydrophobicContact CG2-CB 4.45Å; T372-L375 HydrophobicContact CG2-CD1 4.08Å; T372-L375 HydrophobicContact CG2-CG 4.05Å; T372-L375 PolarHBondContact O-N 3.08Å; P373-L375 PolarHBondContact O-N 3.43Å; P373-L375 VanDerWaalsContact O-N 3.13Å; L375-E377 PolarHBondContact O-N 2.82Å; L375-W378 WeakPolarHBondContact O-CA 3.44Å; L375-W378 WeakPolarHBondContact O-CB 3.16Å; L375-W378 PolarHBondContact O-N 2.9Å; L375-I379 WeakPolarHBondContact O-CG1 3.24Å; L375-I379 PolarHBondContact O-N 3.19Å
376	D	97.2	Very high	97.5	Very high	96 Å²	96	45.7 Å²	45.7	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-66	-39.1	-177.4	-69.3	-20.9	0	0	0	111.7	P373 W378 I379 Q380	P373-D376 WeakPolarHBondContact CA-OD2 3.42Å; P373-D376 PolarHBondContact O-N 3.27Å; P373-D376 VanDerWaalsContact O-N 3.14Å; D376-W378 PolarHBondContact O-N 3.44Å; D376-I379 PolarHBondContact O-N 2.73Å; D376-Q380 WeakPolarHBondContact O-CB 3.23Å; D376-Q380 PolarHBondContact O-N 3.15Å
377	E	95.6	Very high	97.5	Very high	99 Å²	99	45.7 Å²	45.7	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-36.6	170.9	-69.2	-173	-137.1	0	0	112.1	L375 Q380 R381	L375-E377 PolarHBondContact O-N 2.82Å; E377-Q380 PolarHBondContact O-N 3.35Å; E377-R381 WeakPolarHBondContact O-CB 3.33Å; E377-R381 WeakPolarHBondContact O-CD 3.39Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 3.36Å; E377-R381 IonicContact OE2-CZ 3.75Å; E377-R381 IonicContact OE2-NH2 2.76Å; E377-R381 PolarHBondContact OE2-NH2 3.17Å
378	W	98.3	Very high	97.5	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-78.5	-35.3	-177.9	-72.8	94	0	0	0	112.4	E237 V239 L307 W309 F314 L375 D376 R381 I382	E237-W378 HydrophobicContact CB-CH2 3.9Å; E237-W378 HydrophobicContact CB-CZ2 3.84Å; E237-W378 HydrophobicContact CG-CH2 4.3Å; E237-W378 HydrophobicContact CG-CZ2 3.74Å; E237-W378 WeakPolarHBondContact OE1-CZ2 3.29Å; V239-W378 HydrophobicContact CG2-CD2 3.24Å; V239-W378 HydrophobicContact CG2-CE3 3.73Å; V239-W378 HydrophobicContact CG2-CG 3.63Å; V239-W378 HydrophobicContact CG2-CH2 3.97Å; V239-W378 HydrophobicContact CG2-CZ2 3.51Å; V239-W378 HydrophobicContact CG2-CZ3 4.07Å; L307-W378 HydrophobicContact CB-CE3 3.93Å; L307-W378 HydrophobicContact CB-CZ3 3.88Å; L307-W378 HydrophobicContact CD1-CB 4.34Å; L307-W378 HydrophobicContact CD1-CE3 4.12Å; W309-W378 HydrophobicContact CB-CH2 4.06Å; W309-W378 HydrophobicContact CB-CZ3 3.94Å; F314-W378 AromaticContact CE2-CE3 3.71Å; F314-W378 HydrophobicContact CE2-CE3 3.71Å; F314-W378 AromaticContact CE2-CZ3 3.61Å; F314-W378 HydrophobicContact CE2-CZ3 3.61Å; F314-W378 AromaticContact CZ-CE3 3.95Å; F314-W378 HydrophobicContact CZ-CE3 3.95Å; F314-W378 HydrophobicContact CZ-CZ3 4.06Å; L375-W378 WeakPolarHBondContact O-CA 3.44Å; L375-W378 WeakPolarHBondContact O-CB 3.16Å; L375-W378 PolarHBondContact O-N 2.9Å; D376-W378 PolarHBondContact O-N 3.44Å; W378-R381 PolarHBondContact O-N 3.05Å; W378-I382 WeakPolarHBondContact O-CD1 3.08Å; W378-I382 VanDerWaalsContact O-CG1 3.3Å; W378-I382 WeakPolarHBondContact O-CG1 3.44Å; W378-I382 PolarHBondContact O-N 2.99Å
379	I	98.4	Very high	97.4	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-47.6	167.1	-71.6	167.5	0	0	0	109.6	L364 L367 A368 L375 D376 I382 K383	L364-I379 HydrophobicContact CD2-CB 4.29Å; L364-I379 HydrophobicContact CD2-CG2 3.78Å; L364-I379 VanDerWaalsContact CD2-O 3.3Å; L364-I379 WeakPolarHBondContact CD2-O 3.32Å; L367-I379 HydrophobicContact CB-CD1 3.96Å; L367-I379 HydrophobicContact CB-CG1 3.66Å; L367-I379 HydrophobicContact CD1-CG1 4.24Å; A368-I379 HydrophobicContact CB-CD1 4.31Å; L375-I379 WeakPolarHBondContact O-CG1 3.24Å; L375-I379 PolarHBondContact O-N 3.19Å; D376-I379 PolarHBondContact O-N 2.73Å; I379-I382 PolarHBondContact O-N 2.96Å; I379-K383 PolarHBondContact O-N 2.93Å
380	Q	96.8	Very high	97.4	Very high	86 Å²	86	50.5 Å²	50.5	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-45	177.6	178.9	55.6	28.1	0	0	112.3	D376 E377 I382 K383 E384	D376-Q380 WeakPolarHBondContact O-CB 3.23Å; D376-Q380 PolarHBondContact O-N 3.15Å; E377-Q380 PolarHBondContact O-N 3.35Å; Q380-I382 VanDerWaalsContact C-N 3.29Å; Q380-I382 PolarHBondContact O-N 3.47Å; Q380-K383 WeakPolarHBondContact O-CB 3.25Å; Q380-K383 PolarHBondContact O-N 2.74Å; Q380-K383 VanDerWaalsContact O-N 3.11Å; Q380-E384 PolarHBondContact NE2-OE1 3.43Å; Q380-E384 PolarHBondContact O-N 2.96Å; Q380-E384 VanDerWaalsContact O-N 3.09Å
381	R	96.9	Very high	97.4	Very high	25 Å²	25	56.3 Å²	56.3	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-40.6	174.2	-69.3	161.7	-159.8	-163	1.7	111.5	E237 F314 E377 W378 E384 H385	E237-R381 VanDerWaalsContact CD-NH1 3.3Å; E237-R381 IonicContact OE1-NH1 3.8Å; E237-R381 IonicContact OE2-CZ 3.22Å; E237-R381 VanDerWaalsContact OE2-CZ 3.22Å; E237-R381 IonicContact OE2-NH1 2.7Å; E237-R381 PolarHBondContact OE2-NH1 3.22Å; E237-R381 IonicContact OE2-NH2 2.8Å; E237-R381 PolarHBondContact OE2-NH2 3.03Å; F314-R381 HydrophobicContact CE2-CB 4.23Å; E377-R381 WeakPolarHBondContact O-CB 3.33Å; E377-R381 WeakPolarHBondContact O-CD 3.39Å; E377-R381 WeakPolarHBondContact O-CG 3.28Å; E377-R381 PolarHBondContact O-N 3.36Å; E377-R381 IonicContact OE2-CZ 3.75Å; E377-R381 IonicContact OE2-NH2 2.76Å; E377-R381 PolarHBondContact OE2-NH2 3.17Å; W378-R381 PolarHBondContact O-N 3.05Å; R381-E384 PolarHBondContact O-N 3.37Å; R381-H385 PolarHBondContact O-ND1 2.87Å
382	I	98	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-36.6	176.1	-69.4	162	0	0	0	111.8	L307 F314 K360 L363 L364 L367 W378 I379 Q380 E384 H385 L387	L307-I382 HydrophobicContact CD1-CD1 4.24Å; L307-I382 HydrophobicContact CD2-CD1 4.4Å; F314-I382 HydrophobicContact CD1-CG1 4.42Å; F314-I382 HydrophobicContact CE1-CD1 4.13Å; F314-I382 HydrophobicContact CE1-CG1 3.6Å; F314-I382 HydrophobicContact CE2-CG1 4.23Å; F314-I382 HydrophobicContact CZ-CD1 3.95Å; F314-I382 HydrophobicContact CZ-CG1 3.48Å; F314-I382 VanDerWaalsContact CZ-CG1 3.48Å; K360-I382 VanDerWaalsContact CE-O 3.23Å; K360-I382 WeakPolarHBondContact CE-O 3.44Å; K360-I382 HydrophobicContact CG-CG2 4.35Å; L363-I382 HydrophobicContact CD2-CD1 3.92Å; L363-I382 HydrophobicContact CG-CD1 4.25Å; L364-I382 HydrophobicContact CD2-CB 3.93Å; L364-I382 HydrophobicContact CD2-CG2 3.74Å; L364-I382 HydrophobicContact CG-CG2 3.97Å; L367-I382 HydrophobicContact CD1-CD1 3.39Å; W378-I382 WeakPolarHBondContact O-CD1 3.08Å; W378-I382 VanDerWaalsContact O-CG1 3.3Å; W378-I382 WeakPolarHBondContact O-CG1 3.44Å; W378-I382 PolarHBondContact O-N 2.99Å; I379-I382 PolarHBondContact O-N 2.96Å; Q380-I382 VanDerWaalsContact C-N 3.29Å; Q380-I382 PolarHBondContact O-N 3.47Å; I382-E384 PolarHBondContact O-N 3.18Å; I382-H385 PolarHBondContact O-N 2.83Å; I382-L387 HydrophobicContact CG2-CD2 4.09Å
383	K	97.4	Very high	97.7	Very high	66 Å²	66	46.4 Å²	46.4	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-57.3	-38.5	171.3	-73	-175.1	178.3	-171.6	0	111.9	E350 K360 L364 I379 Q380 H385	E350-K383 WeakPolarHBondContact OE1-CE 3.19Å; E350-K383 IonicContact OE1-NZ 2.69Å; E350-K383 PolarHBondContact OE1-NZ 2.77Å; K360-K383 PolarHBondContact NZ-O 3.44Å; L364-K383 HydrophobicContact CD1-CG 4.15Å; L364-K383 HydrophobicContact CD2-CG 4.1Å; I379-K383 PolarHBondContact O-N 2.93Å; Q380-K383 WeakPolarHBondContact O-CB 3.25Å; Q380-K383 PolarHBondContact O-N 2.74Å; Q380-K383 VanDerWaalsContact O-N 3.11Å; K383-H385 VanDerWaalsContact C-N 3.34Å; K383-H385 PolarHBondContact O-N 3.19Å
384	E	97	Very high	97.8	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4	-178.1	-70.4	176.2	-150.4	0	0	115.9	R343 L344 Q380 R381 I382	R343-E384 VanDerWaalsContact CG-O 3.29Å; R343-E384 WeakPolarHBondContact CG-O 3.39Å; R343-E384 IonicContact CZ-OE2 2.94Å; R343-E384 IonicContact NE-OE2 3.38Å; R343-E384 PolarHBondContact NE-OE2 2.95Å; R343-E384 IonicContact NH2-OE2 2.84Å; R343-E384 PolarHBondContact NH2-OE2 2.97Å; L344-E384 WeakPolarHBondContact CB-O 3.33Å; L344-E384 PolarHBondContact N-O 2.99Å; Q380-E384 PolarHBondContact NE2-OE1 3.43Å; Q380-E384 PolarHBondContact O-N 2.96Å; Q380-E384 VanDerWaalsContact O-N 3.09Å; R381-E384 PolarHBondContact O-N 3.37Å; I382-E384 PolarHBondContact O-N 3.18Å
385	H	98.4	Very high	97.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-114.1	154.9	180	-67.9	78.7	0	0	0	112.7	W309 F314 F341 P342 K360 R381 I382 K383 L387	W309-H385 AromaticContact CD1-CE1 3.99Å; W309-H385 AromaticContact NE1-CE1 3.78Å; W309-H385 AromaticContact NE1-NE2 3.96Å; F314-H385 HydrophobicContact CB-CB 4.23Å; F341-H385 HydrophobicContact CB-CB 4.25Å; F341-H385 PolarHBondContact O-CD2 3.25Å; P342-H385 CarbonylContact O-C 3.53Å; P342-H385 VanDerWaalsContact O-CA 3.3Å; P342-H385 WeakPolarHBondContact O-CA 3.11Å; P342-H385 WeakPolarHBondContact O-CB 3.35Å; P342-H385 PolarHBondContact O-CD2 2.97Å; K360-H385 PolarHBondContact NZ-O 2.98Å; R381-H385 PolarHBondContact O-ND1 2.87Å; I382-H385 PolarHBondContact O-N 2.83Å; K383-H385 VanDerWaalsContact C-N 3.34Å; K383-H385 PolarHBondContact O-N 3.19Å; H385-L387 HydrophobicContact CB-CD1 3.95Å; H385-L387 WeakPolarHBondContact O-CD1 3.44Å
386	D	98.6	Very high	97.9	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.241	19%	0.19	C	C	.	.			trans	-90	112.3	177.9	-164.2	-35.8	0	0	0	110.6	F341 P342 L344 G353 S388	F341-D386 WeakPolarHBondContact CA-O 3.3Å; F341-D386 WeakPolarHBondContact CB-O 3.32Å; F341-D386 WeakPolarHBondContact CD1-O 3.43Å; P342-D386 HydrophobicContact CG-CB 4.08Å; P342-D386 PolarHBondContact O-N 3.01Å; L344-D386 HydrophobicContact CD2-CB 3.81Å; L344-D386 HydrophobicContact CG-CB 4.16Å; G353-D386 VanDerWaalsContact CA-CG 3.49Å; G353-D386 WeakPolarHBondContact CA-OD1 3.17Å; D386-S388 WeakPolarHBondContact OD1-CB 3.17Å; D386-S388 PolarHBondContact OD1-N 3.11Å; D386-S388 PolarHBondContact OD1-OG 3.12Å
387	L	98.6	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.			trans	-103.7	8.4	-178.9	-78.2	70.2	0	0	0	112.2	F341 G353 F359 K360 I382 H385 E389 T390	F341-L387 HydrophobicContact CB-CD1 4.2Å; F341-L387 HydrophobicContact CB-CG 4.5Å; F341-L387 HydrophobicContact CD1-CB 4.27Å; F341-L387 HydrophobicContact CD1-CG 4.02Å; F341-L387 HydrophobicContact CD2-CD1 4.1Å; F341-L387 HydrophobicContact CD2-CD2 4.38Å; F341-L387 HydrophobicContact CD2-CG 3.72Å; F341-L387 HydrophobicContact CE1-CB 4.1Å; F341-L387 HydrophobicContact CE1-CG 4.03Å; F341-L387 HydrophobicContact CE2-CD2 4.08Å; F341-L387 HydrophobicContact CE2-CG 3.72Å; F341-L387 HydrophobicContact CG-CD1 4.07Å; F341-L387 HydrophobicContact CG-CG 3.83Å; F341-L387 HydrophobicContact CZ-CB 4.23Å; F341-L387 HydrophobicContact CZ-CD2 4.37Å; F341-L387 HydrophobicContact CZ-CG 3.85Å; G353-L387 CarbonylContact O-C 3.56Å; G353-L387 WeakPolarHBondContact O-CA 3.32Å; G353-L387 PolarHBondContact O-N 3.24Å; F359-L387 HydrophobicContact CD1-CD2 4.12Å; F359-L387 HydrophobicContact CE1-CD2 4.39Å; K360-L387 HydrophobicContact CB-CB 4.1Å; K360-L387 HydrophobicContact CB-CD2 4.11Å; K360-L387 HydrophobicContact CD-CB 4.36Å; K360-L387 HydrophobicContact CD-CD1 4.32Å; K360-L387 HydrophobicContact CG-CB 4.48Å; K360-L387 HydrophobicContact CG-CD2 4.19Å; I382-L387 HydrophobicContact CG2-CD2 4.09Å; H385-L387 HydrophobicContact CB-CD1 3.95Å; H385-L387 WeakPolarHBondContact O-CD1 3.44Å; L387-E389 VanDerWaalsContact C-N 3.29Å; L387-E389 PolarHBondContact O-N 3.1Å; L387-T390 VanDerWaalsContact O-CB 3.31Å; L387-T390 WeakPolarHBondContact O-CB 3.18Å; L387-T390 PolarHBondContact O-N 2.81Å; L387-T390 PolarHBondContact O-OG1 3.03Å
388	S	98.1	Very high	98.1	Very high	47 Å²	47	30.9 Å²	30.9	33%	0.329	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28	-167.4	60.7	0	0	0	0	115.1	G353 E354 S355 P356 D386 T390	G353-S388 PolarHBondContact O-N 2.64Å; E354-S388 WeakPolarHBondContact O-CA 3.23Å; E354-S388 VanDerWaalsContact O-CB 3.32Å; E354-S388 WeakPolarHBondContact O-CB 3.47Å; S355-S388 WeakPolarHBondContact CB-O 3.35Å; P356-S388 WeakPolarHBondContact CD-O 3.3Å; D386-S388 WeakPolarHBondContact OD1-CB 3.17Å; D386-S388 PolarHBondContact OD1-N 3.11Å; D386-S388 PolarHBondContact OD1-OG 3.12Å; S388-T390 PolarHBondContact O-N 3.24Å; S388-T390 VanDerWaalsContact O-N 3.11Å
389	E	96.8	Very high	98.1	Very high	132 Å²	132	32 Å²	32	62%	0.617	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.3	173.8	-68.9	-156.2	154.6	0	0	114.3	P339 L387 R391	P339-E389 HydrophobicContact CB-CB 4.44Å; P339-E389 WeakPolarHBondContact CB-OE2 3.48Å; P339-E389 HydrophobicContact CG-CB 3.97Å; L387-E389 VanDerWaalsContact C-N 3.29Å; L387-E389 PolarHBondContact O-N 3.1Å; E389-R391 PolarHBondContact O-N 3.29Å; E389-R391 VanDerWaalsContact O-N 3.12Å
390	T	98.3	Very high	98.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.154	C	C	.	.			trans	-70.3	111.2	-172.3	-51.6	0	0	0	0	112.5	W336 F341 S355 T357 F359 L387 S388 V392	W336-T390 HydrophobicContact CH2-CG2 4.18Å; W336-T390 HydrophobicContact CZ2-CG2 3.94Å; F341-T390 WeakPolarHBondContact CE1-OG1 3.27Å; F341-T390 VanDerWaalsContact CZ-OG1 3.25Å; F341-T390 WeakPolarHBondContact CZ-OG1 3.33Å; S355-T390 VanDerWaalsContact CB-O 3.24Å; S355-T390 WeakPolarHBondContact CB-O 3.47Å; S355-T390 PolarHBondContact OG-O 2.55Å; T357-T390 PolarHBondContact OG1-O 2.99Å; F359-T390 HydrophobicContact CB-CG2 3.63Å; F359-T390 HydrophobicContact CD1-CG2 3.88Å; F359-T390 HydrophobicContact CD2-CG2 3.67Å; F359-T390 HydrophobicContact CE1-CG2 4.48Å; F359-T390 HydrophobicContact CE2-CG2 4.28Å; F359-T390 HydrophobicContact CG-CG2 3.45Å; F359-T390 VanDerWaalsContact CG-CG2 3.45Å; L387-T390 VanDerWaalsContact O-CB 3.31Å; L387-T390 WeakPolarHBondContact O-CB 3.18Å; L387-T390 PolarHBondContact O-N 2.81Å; L387-T390 PolarHBondContact O-OG1 3.03Å; S388-T390 PolarHBondContact O-N 3.24Å; S388-T390 VanDerWaalsContact O-N 3.11Å; T390-V392 HydrophobicContact CG2-CG2 3.81Å
391	R	97.7	Very high	98.2	Very high	124 Å²	124	33.6 Å²	33.6	47%	0.468	16%	0.158	S	C	.	.			trans	-94.9	6.5	-180	-68.9	-176.2	169.4	-141.1	-9.4	115.5	E389 A584 F585	E389-R391 PolarHBondContact O-N 3.29Å; E389-R391 VanDerWaalsContact O-N 3.12Å; R391-A584 WeakPolarHBondContact CD-O 3.39Å; R391-A584 VanDerWaalsContact O-CB 3.3Å; R391-A584 WeakPolarHBondContact O-CB 3.24Å; R391-F585 HydrophobicContact CB-CD1 4.3Å; R391-F585 HydrophobicContact CB-CE1 3.69Å; R391-F585 HydrophobicContact CB-CE2 4.04Å; R391-F585 HydrophobicContact CB-CZ 3.54Å; R391-F585 HydrophobicContact CG-CE1 4.5Å; R391-F585 WeakPolarHBondContact O-CE2 3.32Å
392	V	98.8	Very high	98.3	Very high	3 Å²	3	34 Å²	34	2%	0.018	16%	0.16	C	C	.	.	S	Bend	trans	-110.3	147.1	176.8	-62.7	0	0	0	0	111.2	W336 T357 F359 T390 V578 Y580 F585	W336-V392 HydrophobicContact CD2-CG2 4.15Å; W336-V392 HydrophobicContact CH2-CG2 4.18Å; W336-V392 HydrophobicContact CZ2-CG2 3.64Å; T357-V392 VanDerWaalsContact CB-O 3.27Å; T357-V392 WeakPolarHBondContact CB-O 3.44Å; T357-V392 PolarHBondContact OG1-O 3.34Å; F359-V392 HydrophobicContact CD2-CG2 4.25Å; F359-V392 HydrophobicContact CE2-CG2 4.23Å; T390-V392 HydrophobicContact CG2-CG2 3.81Å; V392-V578 HydrophobicContact CB-CB 3.99Å; V392-V578 HydrophobicContact CB-CG1 4.5Å; V392-V578 HydrophobicContact CG2-CB 3.88Å; V392-V578 HydrophobicContact CG2-CG1 3.86Å; V392-Y580 HydrophobicContact CG1-CD1 3.64Å; V392-Y580 HydrophobicContact CG1-CD2 4.45Å; V392-Y580 HydrophobicContact CG1-CE1 3.42Å; V392-Y580 VanDerWaalsContact CG1-CE1 3.42Å; V392-Y580 HydrophobicContact CG1-CE2 4.27Å; V392-Y580 HydrophobicContact CG1-CG 4.17Å; V392-F585 HydrophobicContact CG1-CZ 4.28Å
393	Y	98.9	Very high	98.3	Very high	13 Å²	13	37.8 Å²	37.8	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.3	174.5	-63.9	-91.7	0	0	0	110.4	T357 L418 H422 V578 L579 V581 A584	T357-Y393 VanDerWaalsContact CA-CE1 3.48Å; T357-Y393 HydrophobicContact CG2-CD1 4.09Å; T357-Y393 HydrophobicContact CG2-CD2 3.95Å; T357-Y393 HydrophobicContact CG2-CE1 3.9Å; T357-Y393 HydrophobicContact CG2-CE2 3.73Å; T357-Y393 HydrophobicContact CG2-CG 4.12Å; T357-Y393 VanDerWaalsContact O-CD1 3.29Å; T357-Y393 WeakPolarHBondContact O-CD1 3.33Å; Y393-L418 HydrophobicContact CD1-CD2 3.55Å; Y393-L418 HydrophobicContact CE1-CD2 4.23Å; Y393-L418 HydrophobicContact CG-CD2 3.97Å; Y393-H422 AromaticContact CD1-CD2 3.88Å; Y393-H422 AromaticContact CE1-CD2 3.22Å; Y393-H422 WeakPolarHBondContact CE1-CD2 3.47Å; Y393-H422 AromaticContact CE1-CG 3.84Å; Y393-H422 AromaticContact CE1-NE2 3.39Å; Y393-H422 WeakPolarHBondContact CE1-NE2 3.32Å; Y393-H422 HydrophobicContact CE2-CB 4.26Å; Y393-H422 AromaticContact CZ-CD2 3.43Å; Y393-H422 VanDerWaalsContact CZ-CD2 3.43Å; Y393-H422 AromaticContact CZ-CG 3.57Å; Y393-H422 AromaticContact CZ-NE2 3.96Å; Y393-H422 VanDerWaalsContact OH-CG 3.31Å; Y393-V578 WeakPolarHBondContact O-CA 3.4Å; Y393-L579 PolarHBondContact N-O 2.87Å; Y393-L579 PolarHBondContact O-N 2.82Å; Y393-V581 HydrophobicContact CD2-CB 4.3Å; Y393-V581 HydrophobicContact CD2-CG2 3.76Å; Y393-V581 HydrophobicContact CE2-CB 3.99Å; Y393-V581 HydrophobicContact CE2-CG2 3.86Å; Y393-A584 HydrophobicContact CE2-CB 4.04Å
394	L	98.9	Very high	98.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.9	175.1	-160.8	69.5	0	0	0	110.6	I318 F359 D362 L363 R414 L576	I318-L394 HydrophobicContact CD1-CD1 3.65Å; F359-L394 HydrophobicContact CD2-CB 4.17Å; F359-L394 HydrophobicContact CD2-CD1 4.36Å; F359-L394 HydrophobicContact CE2-CB 4.32Å; F359-L394 HydrophobicContact CE2-CD1 3.67Å; F359-L394 HydrophobicContact CZ-CD1 4.16Å; D362-L394 HydrophobicContact CB-CB 4.04Å; D362-L394 HydrophobicContact CB-CD2 4.14Å; D362-L394 WeakPolarHBondContact O-CD2 3.29Å; L363-L394 HydrophobicContact CB-CD2 4.19Å; L394-R414 PolarHBondContact O-NE 2.93Å; L394-R414 PolarHBondContact O-NH2 3Å; L394-L576 HydrophobicContact CD1-CD1 3.73Å; L394-L576 HydrophobicContact CD1-CG 4.14Å; L394-L576 HydrophobicContact CD2-CD1 4.1Å; L394-L576 HydrophobicContact CG-CD1 3.92Å
395	V	98.9	Very high	98.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.9	170.4	-179.7	0	0	0	0	107.2	L415 L418 L548 W559 L576 G577 L579	V395-L415 HydrophobicContact CG1-CB 4.33Å; V395-L415 HydrophobicContact CG2-CD1 4.42Å; V395-L418 HydrophobicContact CG2-CD1 3.79Å; V395-L548 HydrophobicContact CB-CD1 4.14Å; V395-L548 HydrophobicContact CG2-CD1 4.18Å; V395-W559 HydrophobicContact CG1-CH2 4.34Å; V395-W559 HydrophobicContact CG1-CZ3 4.19Å; V395-L576 CarbonylContact O-C 3.41Å; V395-G577 PolarHBondContact N-O 2.8Å; V395-G577 PolarHBondContact O-N 3.39Å; V395-L579 HydrophobicContact CG2-CB 3.71Å; V395-L579 HydrophobicContact CG2-CD2 4.5Å
396	A	98.7	Very high	98.2	Very high	5 Å²	5	41.4 Å²	41.4	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.6	-169.9	0	0	0	0	0	111.5	Y366 W410 G411 E575 L576	Y366-A396 HydrophobicContact CD2-CB 3.57Å; Y366-A396 HydrophobicContact CE2-CB 3.91Å; Y366-A396 HydrophobicContact CG-CB 4.33Å; A396-W410 HydrophobicContact CB-CE3 3.73Å; A396-W410 HydrophobicContact CB-CZ3 3.68Å; A396-W410 CarbonylContact O-C 3.6Å; A396-W410 WeakPolarHBondContact O-CA 3.16Å; A396-G411 PolarHBondContact O-N 2.86Å; A396-E575 WeakPolarHBondContact CA-O 3.41Å; A396-L576 HydrophobicContact CB-CD1 3.57Å
397	S	98.9	Very high	98.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.3	166.9	-66.4	0	0	0	0	109.4	G411 A558 S573 Y574 E575	S397-G411 WeakPolarHBondContact OG-CA 3.31Å; S397-A558 VanDerWaalsContact CB-O 3.3Å; S397-A558 WeakPolarHBondContact CB-O 3.17Å; S397-A558 PolarHBondContact OG-O 2.91Å; S397-S573 CarbonylContact C-O 3.57Å; S397-S573 WeakPolarHBondContact CB-O 3.08Å; S397-Y574 VanDerWaalsContact O-CA 3.3Å; S397-Y574 WeakPolarHBondContact O-CA 3.45Å; S397-E575 PolarHBondContact N-O 3.36Å; S397-E575 PolarHBondContact O-N 3.02Å; S397-E575 VanDerWaalsContact O-N 3.07Å
398	T	98.6	Very high	98.1	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.025	25%	0.245	C	C	.	.			trans	-132.4	146.1	172.8	63.4	0	0	0	0	108.2	Y366 S369 G400 Y402 W410 V571 Y574	Y366-T398 HydrophobicContact CD2-CG2 3.7Å; Y366-T398 HydrophobicContact CE2-CG2 3.63Å; S369-T398 WeakPolarHBondContact OG-CG2 3.49Å; T398-G400 PolarHBondContact O-N 2.72Å; T398-Y402 PolarHBondContact O-OH 3.17Å; T398-Y402 VanDerWaalsContact O-OH 3.05Å; T398-Y402 PolarHBondContact OG1-OH 2.91Å; T398-W410 HydrophobicContact CG2-CD2 4.03Å; T398-W410 HydrophobicContact CG2-CE3 3.88Å; T398-W410 HydrophobicContact CG2-CH2 4.02Å; T398-W410 HydrophobicContact CG2-CZ2 4.15Å; T398-W410 HydrophobicContact CG2-CZ3 3.88Å; T398-W410 VanDerWaalsContact OG1-CE2 3.29Å; T398-W410 PolarHBondContact OG1-NE1 2.98Å; T398-V571 WeakPolarHBondContact O-CB 3.35Å; T398-V571 WeakPolarHBondContact O-CG1 3.18Å; T398-Y574 HydrophobicContact CG2-CD1 4.19Å; T398-Y574 HydrophobicContact CG2-CE1 4.28Å
399	P	98.5	Very high	98.1	Very high	26 Å²	26	47.1 Å²	47.1	17%	0.169	25%	0.248	C	C	.	.	S	Bend	trans	-67.5	126.3	-178.6	-19.4	31.5	0	0	0	111.7	L294 Y402 V571 R572 Y574	L294-P399 HydrophobicContact CD2-CG 3.93Å; P399-Y402 PolarHBondContact O-OH 2.8Å; P399-V571 WeakPolarHBondContact CA-O 3.48Å; P399-R572 WeakPolarHBondContact CB-O 3.5Å; P399-Y574 VanDerWaalsContact CD-CE2 3.48Å; P399-Y574 VanDerWaalsContact CD-CZ 3.44Å; P399-Y574 HydrophobicContact CG-CD2 3.65Å; P399-Y574 HydrophobicContact CG-CE1 4.49Å; P399-Y574 HydrophobicContact CG-CE2 3.53Å; P399-Y574 HydrophobicContact CG-CG 4.21Å
400	G	98.2	Very high	98.1	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-176.5	179	0	0	0	0	0	114.9	T398 Y402 M570 V571	T398-G400 PolarHBondContact O-N 2.72Å; G400-Y402 VanDerWaalsContact C-CE2 3.47Å; G400-Y402 PolarHBondContact N-OH 3Å; G400-M570 WeakPolarHBondContact O-CA 3.12Å; G400-V571 PolarHBondContact N-O 2.8Å; G400-V571 PolarHBondContact O-N 2.83Å
401	R	98.4	Very high	98.2	Very high	132 Å²	132	41.6 Å²	41.6	50%	0.498	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.2	172.4	-80.2	176.3	163.5	112	4.3	108.1	E563 Q568 I569 M570	R401-E563 IonicContact CZ-OE1 2.9Å; R401-E563 IonicContact CZ-OE2 3.2Å; R401-E563 IonicContact NE-OE1 3.9Å; R401-E563 IonicContact NE-OE2 3.73Å; R401-E563 PolarHBondContact NE-OE2 3.29Å; R401-E563 IonicContact NH2-OE1 3.25Å; R401-E563 PolarHBondContact NH2-OE1 3.25Å; R401-E563 IonicContact NH2-OE2 2.76Å; R401-E563 PolarHBondContact NH2-OE2 3.33Å; R401-Q568 HydrophobicContact CB-CG 4.2Å; R401-I569 WeakPolarHBondContact CA-O 3.45Å; R401-M570 HydrophobicContact CG-CB 3.9Å; R401-M570 HydrophobicContact CG-CG 3.72Å
402	Y	98.3	Very high	98.2	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.129	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144	-170.8	-49.3	-88.9	0	0	0	109.7	T398 P399 G400 D406 M407 W410 Q568 I569 V571	T398-Y402 PolarHBondContact O-OH 3.17Å; T398-Y402 VanDerWaalsContact O-OH 3.05Å; T398-Y402 PolarHBondContact OG1-OH 2.91Å; P399-Y402 PolarHBondContact O-OH 2.8Å; G400-Y402 VanDerWaalsContact C-CE2 3.47Å; G400-Y402 PolarHBondContact N-OH 3Å; Y402-D406 WeakPolarHBondContact CB-O 3.42Å; Y402-D406 HydrophobicContact CD1-CB 4.46Å; Y402-M407 WeakPolarHBondContact O-CG 3.24Å; Y402-W410 AromaticContact CD1-CD1 3.72Å; Y402-W410 AromaticContact CD1-NE1 3.95Å; Y402-W410 AromaticContact CE1-CD1 3.32Å; Y402-W410 AromaticContact CE1-NE1 3.35Å; Y402-W410 AromaticContact CE2-CD1 3.72Å; Y402-W410 AromaticContact CZ-CD1 3.33Å; Y402-W410 AromaticContact CZ-NE1 3.69Å; Y402-Q568 CarbonylContact O-C 3.5Å; Y402-Q568 VanDerWaalsContact O-CA 3.28Å; Y402-Q568 WeakPolarHBondContact O-CA 3.38Å; Y402-I569 HydrophobicContact CD2-CG2 4.25Å; Y402-I569 PolarHBondContact N-O 3.33Å; Y402-I569 PolarHBondContact O-N 3.2Å; Y402-V571 HydrophobicContact CE2-CB 4.37Å; Y402-V571 HydrophobicContact CE2-CG2 4.34Å
403	V	98.4	Very high	98.2	Very high	79 Å²	79	36.2 Å²	36.2	48%	0.479	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153	-172.8	-65.9	0	0	0	0	110.6	A405 D406 Q568	V403-A405 PolarHBondContact O-N 3.26Å; V403-D406 PolarHBondContact O-N 3.26Å; V403-Q568 HydrophobicContact CG1-CB 3.93Å; V403-Q568 HydrophobicContact CG1-CG 3.84Å
404	G	97.3	Very high	98.2	Very high	54 Å²	54	36.7 Å²	36.7	56%	0.557	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	58.7	-135.2	-178.2	0	0	0	0	0	112.2	D406 M407	G404-D406 PolarHBondContact O-N 3.06Å; G404-M407 WeakPolarHBondContact O-CB 3.22Å; G404-M407 VanDerWaalsContact O-CG 3.3Å; G404-M407 WeakPolarHBondContact O-CG 3.33Å; G404-M407 PolarHBondContact O-N 3.34Å
405	A	95.4	Very high	98.2	Very high	86 Å²	86	36.6 Å²	36.6	71%	0.711	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-60.1	-29	-179.7	0	0	0	0	0	113.5	V403 M407 E408	V403-A405 PolarHBondContact O-N 3.26Å; A405-M407 PolarHBondContact O-N 3.09Å; A405-E408 PolarHBondContact O-N 2.89Å
406	D	97.2	Very high	98.2	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.3	-16.3	-178.4	-68.8	-6.2	0	0	0	112.8	Y402 V403 G404 E408 R409	Y402-D406 WeakPolarHBondContact CB-O 3.42Å; Y402-D406 HydrophobicContact CD1-CB 4.46Å; V403-D406 PolarHBondContact O-N 3.26Å; G404-D406 PolarHBondContact O-N 3.06Å; D406-E408 PolarHBondContact O-N 3.22Å; D406-R409 VanDerWaalsContact CG-NE 3.26Å; D406-R409 WeakPolarHBondContact O-CB 3.41Å; D406-R409 PolarHBondContact O-N 2.84Å; D406-R409 VanDerWaalsContact O-N 3.16Å; D406-R409 IonicContact OD1-CZ 3.76Å; D406-R409 IonicContact OD1-NE 2.73Å; D406-R409 PolarHBondContact OD1-NE 2.84Å; D406-R409 IonicContact OD1-NH2 2.69Å; D406-R409 PolarHBondContact OD1-NH2 3.21Å; D406-R409 IonicContact OD2-NE 3.77Å; D406-R409 IonicContact OD2-NH2 2.77Å
407	M	98	Very high	98.1	Very high	24 Å²	24	42.5 Å²	42.5	12%	0.118	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.1	174.6	-64.8	177.6	64.3	0	0	112.6	Y402 G404 A405 L413 L562 I569	Y402-M407 WeakPolarHBondContact O-CG 3.24Å; G404-M407 WeakPolarHBondContact O-CB 3.22Å; G404-M407 VanDerWaalsContact O-CG 3.3Å; G404-M407 WeakPolarHBondContact O-CG 3.33Å; G404-M407 PolarHBondContact O-N 3.34Å; A405-M407 PolarHBondContact O-N 3.09Å; M407-L413 HydrophobicContact CB-CD1 3.91Å; M407-L413 HydrophobicContact CE-CD1 3.97Å; M407-L413 VanDerWaalsContact O-CB 3.22Å; M407-L413 WeakPolarHBondContact O-CB 3.27Å; M407-L562 HydrophobicContact CE-CD2 3.46Å; M407-L562 VanDerWaalsContact CE-CD2 3.46Å; M407-I569 HydrophobicContact CB-CG2 3.98Å; M407-I569 HydrophobicContact CE-CB 4.4Å; M407-I569 HydrophobicContact CG-CG2 4.07Å
408	E	97.8	Very high	98.1	Very high	86 Å²	86	42.7 Å²	42.7	40%	0.402	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-87.5	2.1	180	-53	-162.5	141.6	0	0	114.1	A405 D406 R414 K417	A405-E408 PolarHBondContact O-N 2.89Å; D406-E408 PolarHBondContact O-N 3.22Å; E408-R414 VanDerWaalsContact O-CA 3.24Å; E408-R414 WeakPolarHBondContact O-CA 3.34Å; E408-R414 WeakPolarHBondContact O-CB 3.43Å; E408-K417 HydrophobicContact CB-CB 4.29Å; E408-K417 HydrophobicContact CB-CD 3.94Å; E408-K417 VanDerWaalsContact OE2-CD 3.24Å; E408-K417 WeakPolarHBondContact OE2-CD 3.42Å; E408-K417 WeakPolarHBondContact OE2-CE 3.24Å; E408-K417 IonicContact OE2-NZ 3.89Å; E408-K417 PolarHBondContact OE2-NZ 2.65Å
409	R	97.6	Very high	98.1	Very high	101 Å²	101	42.5 Å²	42.5	38%	0.381	23%	0.225	S	C	.	.	S	Bend	trans	-73.1	-36.2	179.2	-68.7	177.4	-171	-111.2	9.1	113.2	E365 D406 R414	E365-R409 WeakPolarHBondContact OE1-CD 3.36Å; E365-R409 IonicContact OE1-CZ 3.75Å; E365-R409 IonicContact OE1-NE 3.81Å; E365-R409 IonicContact OE1-NH1 2.84Å; E365-R409 PolarHBondContact OE1-NH1 3.16Å; E365-R409 IonicContact OE2-NH1 2.69Å; D406-R409 VanDerWaalsContact CG-NE 3.26Å; D406-R409 WeakPolarHBondContact O-CB 3.41Å; D406-R409 PolarHBondContact O-N 2.84Å; D406-R409 VanDerWaalsContact O-N 3.16Å; D406-R409 IonicContact OD1-CZ 3.76Å; D406-R409 IonicContact OD1-NE 2.73Å; D406-R409 PolarHBondContact OD1-NE 2.84Å; D406-R409 IonicContact OD1-NH2 2.69Å; D406-R409 PolarHBondContact OD1-NH2 3.21Å; D406-R409 IonicContact OD2-NE 3.77Å; D406-R409 IonicContact OD2-NH2 2.77Å; R409-R414 WeakPolarHBondContact O-CB 3.46Å; R409-R414 WeakPolarHBondContact O-CD 3.3Å; R409-R414 WeakPolarHBondContact O-CG 3.48Å
410	W	98.5	Very high	98	Very high	18 Å²	18	46.3 Å²	46.3	7%	0.068	24%	0.237	C	C	.	.	S	Bend	trans	-129.9	163.8	-168.5	-49.1	112.6	0	0	0	114	E365 Y366 A396 T398 Y402 R414	E365-W410 HydrophobicContact CG-CH2 4Å; E365-W410 HydrophobicContact CG-CZ2 4.1Å; Y366-W410 HydrophobicContact CD2-CH2 4.41Å; Y366-W410 AromaticContact CD2-CZ3 3.87Å; Y366-W410 HydrophobicContact CD2-CZ3 3.87Å; A396-W410 HydrophobicContact CB-CE3 3.73Å; A396-W410 HydrophobicContact CB-CZ3 3.68Å; A396-W410 CarbonylContact O-C 3.6Å; A396-W410 WeakPolarHBondContact O-CA 3.16Å; T398-W410 HydrophobicContact CG2-CD2 4.03Å; T398-W410 HydrophobicContact CG2-CE3 3.88Å; T398-W410 HydrophobicContact CG2-CH2 4.02Å; T398-W410 HydrophobicContact CG2-CZ2 4.15Å; T398-W410 HydrophobicContact CG2-CZ3 3.88Å; T398-W410 VanDerWaalsContact OG1-CE2 3.29Å; T398-W410 PolarHBondContact OG1-NE1 2.98Å; Y402-W410 AromaticContact CD1-CD1 3.72Å; Y402-W410 AromaticContact CD1-NE1 3.95Å; Y402-W410 AromaticContact CE1-CD1 3.32Å; Y402-W410 AromaticContact CE1-NE1 3.35Å; Y402-W410 AromaticContact CE2-CD1 3.72Å; Y402-W410 AromaticContact CZ-CD1 3.33Å; Y402-W410 AromaticContact CZ-NE1 3.69Å; W410-R414 VanDerWaalsContact C-CB 3.45Å; W410-R414 WeakPolarHBondContact O-CB 3.31Å; W410-R414 PolarHBondContact O-N 2.88Å; W410-R414 VanDerWaalsContact O-N 3.16Å
411	G	98.6	Very high	98	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	59.7	-142.9	169.1	0	0	0	0	0	114.9	A396 S397 L413 R414 L415 W559	A396-G411 PolarHBondContact O-N 2.86Å; S397-G411 WeakPolarHBondContact OG-CA 3.31Å; G411-L413 VanDerWaalsContact C-N 3.28Å; G411-L413 PolarHBondContact O-N 2.97Å; G411-R414 WeakPolarHBondContact O-CB 3.35Å; G411-R414 PolarHBondContact O-N 3.33Å; G411-L415 PolarHBondContact O-N 3.01Å; G411-L415 VanDerWaalsContact O-N 3.15Å; G411-W559 CarbonylContact C-O 3.53Å; G411-W559 VanDerWaalsContact CA-O 3.31Å; G411-W559 WeakPolarHBondContact CA-O 3.43Å
412	H	98.7	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.1	-19.8	-172.6	81.5	92.4	0	0	0	112.9	R416 E455 F456 T459 W559	H412-R416 WeakPolarHBondContact O-CB 3.4Å; H412-R416 PolarHBondContact O-N 2.9Å; H412-E455 IonicContact NE2-OE2 2.94Å; H412-F456 HydrophobicContact CB-CD2 3.67Å; H412-F456 HydrophobicContact CB-CE2 3.88Å; H412-T459 HydrophobicContact CB-CG2 4.15Å; H412-T459 PolarHBondContact ND1-OG1 2.88Å; H412-T459 WeakPolarHBondContact O-CB 3.46Å; H412-T459 WeakPolarHBondContact O-CG2 3.41Å; H412-T459 PolarHBondContact O-OG1 2.86Å; H412-W559 HydrophobicContact CB-CB 4.39Å; H412-W559 HydrophobicContact CB-CD2 4.5Å; H412-W559 HydrophobicContact CB-CE3 3.8Å; H412-W559 HydrophobicContact CB-CZ3 4.46Å; H412-W559 PolarHBondContact CD2-O 2.7Å; H412-W559 PolarHBondContact N-O 2.94Å
413	L	98.6	Very high	97.8	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-78.5	-36.2	173.4	-66	-178.2	0	0	0	111.5	M407 G411 R416 K417 L562 I569	M407-L413 HydrophobicContact CB-CD1 3.91Å; M407-L413 HydrophobicContact CE-CD1 3.97Å; M407-L413 VanDerWaalsContact O-CB 3.22Å; M407-L413 WeakPolarHBondContact O-CB 3.27Å; G411-L413 VanDerWaalsContact C-N 3.28Å; G411-L413 PolarHBondContact O-N 2.97Å; L413-R416 VanDerWaalsContact CD2-NH1 3.33Å; L413-R416 WeakPolarHBondContact O-CB 3.34Å; L413-R416 PolarHBondContact O-N 2.85Å; L413-K417 WeakPolarHBondContact O-CB 3.45Å; L413-K417 PolarHBondContact O-N 2.67Å; L413-L562 HydrophobicContact CD1-CD2 4.22Å; L413-I569 HydrophobicContact CB-CD1 4.41Å; L413-I569 HydrophobicContact CD1-CB 4.07Å; L413-I569 HydrophobicContact CD1-CD1 3.67Å; L413-I569 HydrophobicContact CD1-CG1 4.44Å; L413-I569 HydrophobicContact CD1-CG2 4.17Å; L413-I569 HydrophobicContact CG-CD1 3.77Å
414	R	98.8	Very high	97.4	Very high	24 Å²	24	44.8 Å²	44.8	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-45.5	167.7	174.4	60.1	-169.5	-155.9	0.4	112.6	D362 L394 E408 R409 W410 G411 K417 L418	D362-R414 IonicContact OD1-NH1 2.64Å; D362-R414 IonicContact OD2-CZ 3.92Å; D362-R414 VanDerWaalsContact OD2-CZ 3.29Å; D362-R414 IonicContact OD2-NH1 2.86Å; D362-R414 PolarHBondContact OD2-NH1 2.75Å; D362-R414 VanDerWaalsContact OD2-NH1 3.09Å; D362-R414 IonicContact OD2-NH2 2.68Å; D362-R414 PolarHBondContact OD2-NH2 3.24Å; L394-R414 PolarHBondContact O-NE 2.93Å; L394-R414 PolarHBondContact O-NH2 3Å; E408-R414 VanDerWaalsContact O-CA 3.24Å; E408-R414 WeakPolarHBondContact O-CA 3.34Å; E408-R414 WeakPolarHBondContact O-CB 3.43Å; R409-R414 WeakPolarHBondContact O-CB 3.46Å; R409-R414 WeakPolarHBondContact O-CD 3.3Å; R409-R414 WeakPolarHBondContact O-CG 3.48Å; W410-R414 VanDerWaalsContact C-CB 3.45Å; W410-R414 WeakPolarHBondContact O-CB 3.31Å; W410-R414 PolarHBondContact O-N 2.88Å; W410-R414 VanDerWaalsContact O-N 3.16Å; G411-R414 WeakPolarHBondContact O-CB 3.35Å; G411-R414 PolarHBondContact O-N 3.33Å; R414-K417 PolarHBondContact O-N 3.33Å; R414-L418 HydrophobicContact CG-CD1 4.47Å; R414-L418 WeakPolarHBondContact O-CG 3.32Å; R414-L418 PolarHBondContact O-N 2.8Å; R414-L418 VanDerWaalsContact O-N 3.1Å
415	L	98.8	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-45.8	172.9	176.8	58.3	0	0	0	111.1	V395 G411 K417 L418 L419 T459 L460 L548 W559 L579	V395-L415 HydrophobicContact CG1-CB 4.33Å; V395-L415 HydrophobicContact CG2-CD1 4.42Å; G411-L415 PolarHBondContact O-N 3.01Å; G411-L415 VanDerWaalsContact O-N 3.15Å; L415-K417 VanDerWaalsContact C-N 3.32Å; L415-K417 PolarHBondContact O-N 3.16Å; L415-L418 PolarHBondContact O-N 2.84Å; L415-L419 HydrophobicContact CD1-CD1 3.96Å; L415-L419 HydrophobicContact CD1-CD2 4.47Å; L415-L419 HydrophobicContact CD1-CG 4Å; L415-L419 HydrophobicContact CG-CD1 4Å; L415-L419 HydrophobicContact CG-CG 4.45Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.24Å; L415-L419 PolarHBondContact O-N 3.49Å; L415-T459 HydrophobicContact CB-CG2 3.81Å; L415-T459 HydrophobicContact CD2-CG2 3.7Å; L415-T459 HydrophobicContact CG-CG2 3.65Å; L415-L460 HydrophobicContact CD2-CD2 3.92Å; L415-L548 HydrophobicContact CD2-CD2 4.16Å; L415-W559 HydrophobicContact CB-CZ3 4.17Å; L415-W559 HydrophobicContact CD2-CH2 3.74Å; L415-W559 HydrophobicContact CD2-CZ3 3.96Å; L415-L579 HydrophobicContact CD1-CD1 3.8Å; L415-L579 HydrophobicContact CD1-CD2 3.88Å; L415-L579 HydrophobicContact CD1-CG 4.4Å
416	R	98.1	Very high	96.7	Very high	59 Å²	59	42.8 Å²	42.8	22%	0.223	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-42.3	178.6	-167.3	-176.1	-64.4	171.6	-4.1	112.1	H412 L413 L419 Y420 E455 T459	H412-R416 WeakPolarHBondContact O-CB 3.4Å; H412-R416 PolarHBondContact O-N 2.9Å; L413-R416 VanDerWaalsContact CD2-NH1 3.33Å; L413-R416 WeakPolarHBondContact O-CB 3.34Å; L413-R416 PolarHBondContact O-N 2.85Å; R416-L419 PolarHBondContact O-N 2.83Å; R416-Y420 VanDerWaalsContact O-CB 3.32Å; R416-Y420 WeakPolarHBondContact O-CB 3.39Å; R416-Y420 PolarHBondContact O-N 3.33Å; R416-E455 PolarHBondContact NH2-O 2.77Å; R416-T459 HydrophobicContact CB-CG2 4.13Å; R416-T459 PolarHBondContact NE-OG1 3.18Å; R416-T459 PolarHBondContact NH2-OG1 2.93Å
417	K	98.2	Very high	96.2	Very high	73 Å²	73	45 Å²	45	32%	0.317	22%	0.219	S	C	.	.	H	α-helix	trans	-58.7	-54.6	175.8	178.8	171.8	-159.2	55.3	0	111.3	E408 L413 R414 L415 L419 Y420 D421	E408-K417 HydrophobicContact CB-CB 4.29Å; E408-K417 HydrophobicContact CB-CD 3.94Å; E408-K417 VanDerWaalsContact OE2-CD 3.24Å; E408-K417 WeakPolarHBondContact OE2-CD 3.42Å; E408-K417 WeakPolarHBondContact OE2-CE 3.24Å; E408-K417 IonicContact OE2-NZ 3.89Å; E408-K417 PolarHBondContact OE2-NZ 2.65Å; L413-K417 WeakPolarHBondContact O-CB 3.45Å; L413-K417 PolarHBondContact O-N 2.67Å; R414-K417 PolarHBondContact O-N 3.33Å; L415-K417 VanDerWaalsContact C-N 3.32Å; L415-K417 PolarHBondContact O-N 3.16Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 3.26Å; K417-Y420 PolarHBondContact O-N 3.15Å; K417-Y420 VanDerWaalsContact O-N 3.09Å; K417-D421 WeakPolarHBondContact CE-OD2 3.49Å; K417-D421 WeakPolarHBondContact CG-OD2 3.23Å; K417-D421 IonicContact NZ-OD2 2.98Å; K417-D421 PolarHBondContact NZ-OD2 3Å; K417-D421 WeakPolarHBondContact O-CB 3.28Å; K417-D421 PolarHBondContact O-N 3.37Å
418	L	98.6	Very high	95.8	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-38.8	-178.8	-69.7	171.6	0	0	0	112.2	Y393 V395 R414 L415 H422 L579	Y393-L418 HydrophobicContact CD1-CD2 3.55Å; Y393-L418 HydrophobicContact CE1-CD2 4.23Å; Y393-L418 HydrophobicContact CG-CD2 3.97Å; V395-L418 HydrophobicContact CG2-CD1 3.79Å; R414-L418 HydrophobicContact CG-CD1 4.47Å; R414-L418 WeakPolarHBondContact O-CG 3.32Å; R414-L418 PolarHBondContact O-N 2.8Å; R414-L418 VanDerWaalsContact O-N 3.1Å; L415-L418 PolarHBondContact O-N 2.84Å; L418-H422 VanDerWaalsContact O-CB 3.32Å; L418-H422 WeakPolarHBondContact O-CB 3.45Å; L418-H422 PolarHBondContact O-N 2.94Å; L418-L579 HydrophobicContact CB-CD2 3.71Å; L418-L579 HydrophobicContact CD1-CD2 4.02Å
419	L	98	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-45.7	173.8	-64.8	175.9	0	0	0	111.4	L415 R416 K417 T423 T459 T462 G464 W546 L579	L415-L419 HydrophobicContact CD1-CD1 3.96Å; L415-L419 HydrophobicContact CD1-CD2 4.47Å; L415-L419 HydrophobicContact CD1-CG 4Å; L415-L419 HydrophobicContact CG-CD1 4Å; L415-L419 HydrophobicContact CG-CG 4.45Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.24Å; L415-L419 PolarHBondContact O-N 3.49Å; R416-L419 PolarHBondContact O-N 2.83Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 3.26Å; L419-T423 HydrophobicContact CD2-CG2 3.74Å; L419-T423 WeakPolarHBondContact O-CB 3.41Å; L419-T423 PolarHBondContact O-N 3.25Å; L419-T423 VanDerWaalsContact O-N 3.08Å; L419-T423 PolarHBondContact O-OG1 2.65Å; L419-T459 WeakPolarHBondContact CD1-O 3.32Å; L419-T462 HydrophobicContact CB-CG2 3.91Å; L419-G464 PolarHBondContact O-N 3.45Å; L419-W546 HydrophobicContact CD1-CD2 4.47Å; L419-W546 HydrophobicContact CD1-CZ2 4.13Å; L419-W546 HydrophobicContact CD2-CB 4.05Å; L419-W546 VanDerWaalsContact CD2-CD1 3.41Å; L419-W546 HydrophobicContact CD2-CD2 3.74Å; L419-W546 HydrophobicContact CD2-CE3 4.5Å; L419-W546 HydrophobicContact CD2-CG 3.47Å; L419-W546 VanDerWaalsContact CD2-CG 3.47Å; L419-L579 HydrophobicContact CD2-CD1 4.41Å; L419-L579 HydrophobicContact CD2-CD2 4.27Å
420	Y	96.9	Very high	95	Very high	106 Å²	106	42.3 Å²	42.3	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-64	-40	178.9	178.7	-93.5	0	0	0	113.7	R416 K417 G464 K465	R416-Y420 VanDerWaalsContact O-CB 3.32Å; R416-Y420 WeakPolarHBondContact O-CB 3.39Å; R416-Y420 PolarHBondContact O-N 3.33Å; K417-Y420 PolarHBondContact O-N 3.15Å; K417-Y420 VanDerWaalsContact O-N 3.09Å; Y420-G464 WeakPolarHBondContact CD2-O 3.45Å; Y420-G464 CarbonylContact O-C 3.53Å; Y420-G464 WeakPolarHBondContact O-CA 3.45Å; Y420-K465 HydrophobicContact CD1-CD 4.48Å; Y420-K465 HydrophobicContact CD1-CG 4.3Å; Y420-K465 HydrophobicContact CD2-CG 4.36Å; Y420-K465 HydrophobicContact CE1-CD 3.74Å; Y420-K465 HydrophobicContact CE1-CG 3.84Å; Y420-K465 HydrophobicContact CE2-CB 3.91Å; Y420-K465 HydrophobicContact CE2-CG 3.92Å; Y420-K465 WeakPolarHBondContact O-CG 3.46Å
421	D	97.3	Very high	94.8	Very high	53 Å²	53	48 Å²	48	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-89.4	-20.9	-175.1	-77.8	-42.3	0	0	0	113.8	K417 K465	K417-D421 WeakPolarHBondContact CE-OD2 3.49Å; K417-D421 WeakPolarHBondContact CG-OD2 3.23Å; K417-D421 IonicContact NZ-OD2 2.98Å; K417-D421 PolarHBondContact NZ-OD2 3Å; K417-D421 WeakPolarHBondContact O-CB 3.28Å; K417-D421 PolarHBondContact O-N 3.37Å; D421-K465 WeakPolarHBondContact OD1-CE 3.33Å; D421-K465 IonicContact OD1-NZ 3.01Å; D421-K465 PolarHBondContact OD1-NZ 3.42Å
422	H	97.3	Very high	94.7	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.259	24%	0.238	S	C	.	.	H	α-helix	trans	-128.1	-14.1	-172.7	-52.6	-49.4	0	0	0	117	Y393 L418 V581 S583	Y393-H422 AromaticContact CD1-CD2 3.88Å; Y393-H422 AromaticContact CE1-CD2 3.22Å; Y393-H422 WeakPolarHBondContact CE1-CD2 3.47Å; Y393-H422 AromaticContact CE1-CG 3.84Å; Y393-H422 AromaticContact CE1-NE2 3.39Å; Y393-H422 WeakPolarHBondContact CE1-NE2 3.32Å; Y393-H422 HydrophobicContact CE2-CB 4.26Å; Y393-H422 AromaticContact CZ-CD2 3.43Å; Y393-H422 VanDerWaalsContact CZ-CD2 3.43Å; Y393-H422 AromaticContact CZ-CG 3.57Å; Y393-H422 AromaticContact CZ-NE2 3.96Å; Y393-H422 VanDerWaalsContact OH-CG 3.31Å; L418-H422 VanDerWaalsContact O-CB 3.32Å; L418-H422 WeakPolarHBondContact O-CB 3.45Å; L418-H422 PolarHBondContact O-N 2.94Å; H422-V581 HydrophobicContact CB-CG1 4.28Å; H422-V581 WeakPolarHBondContact O-CG1 3.35Å; H422-S583 PolarHBondContact O-OG 3.32Å
423	T	95.6	Very high	94.6	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	24%	0.242	C	C	.	.			trans	-90.3	165.6	167.1	66.5	0	0	0	0	111.1	L419 L463 G464 W546 V581	L419-T423 HydrophobicContact CD2-CG2 3.74Å; L419-T423 WeakPolarHBondContact O-CB 3.41Å; L419-T423 PolarHBondContact O-N 3.25Å; L419-T423 VanDerWaalsContact O-N 3.08Å; L419-T423 PolarHBondContact O-OG1 2.65Å; T423-L463 HydrophobicContact CG2-CD2 4.27Å; T423-L463 WeakPolarHBondContact OG1-CA 3.46Å; T423-G464 WeakPolarHBondContact O-CA 3.37Å; T423-G464 PolarHBondContact OG1-N 3.13Å; T423-W546 HydrophobicContact CG2-CB 4.49Å; T423-V581 HydrophobicContact CG2-CG1 3.64Å
424	N	90.6	Very high	94.6	Very high	107 Å²	107	48.9 Å²	48.9	57%	0.572	24%	0.239	S	C	*	.			trans	-109.3	150.6	171.4	-66.1	-76.3	0	0	0	109.9
425	P	89.3	Confident	94.6	Very high	69 Å²	69	47.8 Å²	47.8	45%	0.448	24%	0.235	S	C	.	.			trans	-59.1	148.8	166.3	-18.8	32.3	0	0	0	110.8
426	I	88.4	Confident	94.6	Very high	29 Å²	29	47.8 Å²	47.8	15%	0.149	24%	0.235	C	C	.	.			trans	-125.3	141.9	-175.4	-55.7	-179.3	0	0	0	109.1	E429 W432 L463 A545 T589	I426-E429 WeakPolarHBondContact O-CB 3.47Å; I426-E429 PolarHBondContact O-N 3.31Å; I426-W432 HydrophobicContact CD1-CE3 4.4Å; I426-W432 HydrophobicContact CD1-CH2 4.22Å; I426-W432 HydrophobicContact CD1-CZ2 4.44Å; I426-W432 HydrophobicContact CD1-CZ3 4.18Å; I426-W432 HydrophobicContact CG2-CH2 4.29Å; I426-W432 HydrophobicContact CG2-CZ2 3.58Å; I426-L463 HydrophobicContact CB-CD1 4.48Å; I426-L463 HydrophobicContact CD1-CD1 4.12Å; I426-L463 HydrophobicContact CG1-CD1 4.18Å; I426-A545 HydrophobicContact CD1-CB 3.5Å; I426-T589 HydrophobicContact CD1-CG2 4.19Å
427	P	87.5	Confident	94.7	Very high	109 Å²	109	45 Å²	45	71%	0.708	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	141.6	171.6	-25.7	35.5	0	0	0	112.5	E429 W432	P427-E429 PolarHBondContact O-N 2.69Å; P427-W432 PolarHBondContact O-NE1 2.99Å
428	D	88.4	Confident	94.7	Very high	78 Å²	78	41.5 Å²	41.5	42%	0.417	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	33.2	-177.1	-62.5	-14.9	0	0	0	114	E430 R431	D428-E430 VanDerWaalsContact CA-OE2 3.31Å; D428-E430 WeakPolarHBondContact CA-OE2 3.48Å; D428-E430 PolarHBondContact O-N 3.15Å; D428-R431 HydrophobicContact CB-CG 4.4Å; D428-R431 WeakPolarHBondContact O-CB 3.48Å; D428-R431 PolarHBondContact O-N 2.83Å; D428-R431 IonicContact OD1-CZ 2.81Å; D428-R431 IonicContact OD1-NH2 2.8Å; D428-R431 PolarHBondContact OD1-NH2 3.43Å; D428-R431 IonicContact OD2-CZ 3.24Å; D428-R431 IonicContact OD2-NE 3.94Å; D428-R431 IonicContact OD2-NH1 2.67Å; D428-R431 PolarHBondContact OD2-NH1 2.86Å; D428-R431 IonicContact OD2-NH2 2.91Å; D428-R431 PolarHBondContact OD2-NH2 2.89Å; D428-R431 VanDerWaalsContact OD2-NH2 3.09Å
429	E	88.8	Confident	94.7	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.047	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-55.2	-23.2	-177	58	154.6	-112	0	0	114.3	I426 P427 R431 W432 L463 F468 S470 R536	I426-E429 WeakPolarHBondContact O-CB 3.47Å; I426-E429 PolarHBondContact O-N 3.31Å; P427-E429 PolarHBondContact O-N 2.69Å; E429-R431 PolarHBondContact O-N 2.84Å; E429-W432 PolarHBondContact O-N 2.83Å; E429-L463 HydrophobicContact CB-CD1 4.18Å; E429-F468 HydrophobicContact CG-CD1 4.32Å; E429-S470 WeakPolarHBondContact OE1-CB 3.09Å; E429-S470 PolarHBondContact OE1-OG 3.15Å; E429-R536 PolarHBondContact O-NH2 2.78Å
430	E	90.7	Very high	94.7	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.318	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18.3	173.2	77.9	-67.4	162.3	0	0	114	D428 F468 P472	D428-E430 VanDerWaalsContact CA-OE2 3.31Å; D428-E430 WeakPolarHBondContact CA-OE2 3.48Å; D428-E430 PolarHBondContact O-N 3.15Å; E430-F468 HydrophobicContact CB-CE1 4.36Å; E430-P472 WeakPolarHBondContact O-CA 3.42Å; E430-P472 WeakPolarHBondContact O-CB 3.48Å
431	R	94.3	Very high	94.8	Very high	136 Å²	136	37.6 Å²	37.6	51%	0.513	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-97.1	-9.9	178.3	-51.4	-177	-155.1	148.5	22.8	113.1	D428 E429 P433 P539	D428-R431 HydrophobicContact CB-CG 4.4Å; D428-R431 WeakPolarHBondContact O-CB 3.48Å; D428-R431 PolarHBondContact O-N 2.83Å; D428-R431 IonicContact OD1-CZ 2.81Å; D428-R431 IonicContact OD1-NH2 2.8Å; D428-R431 PolarHBondContact OD1-NH2 3.43Å; D428-R431 IonicContact OD2-CZ 3.24Å; D428-R431 IonicContact OD2-NE 3.94Å; D428-R431 IonicContact OD2-NH1 2.67Å; D428-R431 PolarHBondContact OD2-NH1 2.86Å; D428-R431 IonicContact OD2-NH2 2.91Å; D428-R431 PolarHBondContact OD2-NH2 2.89Å; D428-R431 VanDerWaalsContact OD2-NH2 3.09Å; E429-R431 PolarHBondContact O-N 2.84Å; R431-P433 WeakPolarHBondContact O-CD 3.45Å; R431-P539 HydrophobicContact CB-CB 4.39Å; R431-P539 HydrophobicContact CB-CG 3.73Å
432	W	96.2	Very high	94.8	Very high	17 Å²	17	35.7 Å²	35.7	6%	0.064	19%	0.191	C	C	.	.	S	Bend	trans	-79.9	104.3	177.9	-74.2	60.6	0	0	0	109.3	I426 P427 E429 P472 R536 V537 S538 Q543 A545 T589	I426-W432 HydrophobicContact CD1-CE3 4.4Å; I426-W432 HydrophobicContact CD1-CH2 4.22Å; I426-W432 HydrophobicContact CD1-CZ2 4.44Å; I426-W432 HydrophobicContact CD1-CZ3 4.18Å; I426-W432 HydrophobicContact CG2-CH2 4.29Å; I426-W432 HydrophobicContact CG2-CZ2 3.58Å; P427-W432 PolarHBondContact O-NE1 2.99Å; E429-W432 PolarHBondContact O-N 2.83Å; W432-P472 VanDerWaalsContact O-CB 3.3Å; W432-P472 WeakPolarHBondContact O-CB 3.19Å; W432-R536 HydrophobicContact CB-CG 4.27Å; W432-R536 WeakPolarHBondContact O-CD 3.42Å; W432-R536 PolarHBondContact O-NE 3.48Å; W432-V537 CarbonylContact C-O 3.5Å; W432-V537 WeakPolarHBondContact CA-O 3.45Å; W432-V537 WeakPolarHBondContact CB-O 3.36Å; W432-S538 VanDerWaalsContact CE3-N 3.34Å; W432-Q543 HydrophobicContact CH2-CB 4.09Å; W432-Q543 HydrophobicContact CZ3-CB 4.4Å; W432-A545 HydrophobicContact CE3-CB 4.1Å; W432-A545 HydrophobicContact CZ3-CB 4.07Å; W432-T589 HydrophobicContact CH2-CG2 3.82Å; W432-T589 HydrophobicContact CZ3-CG2 4.33Å
433	P	97.3	Very high	94.8	Very high	14 Å²	14	34 Å²	34	9%	0.091	19%	0.185	C	C	.	.			trans	-64.2	146.3	-178.7	26.1	-36.8	0	0	0	112.8	R431 A473 V537	R431-P433 WeakPolarHBondContact O-CD 3.45Å; P433-A473 CarbonylContact C-O 3.56Å; P433-A473 VanDerWaalsContact CA-O 3.27Å; P433-A473 WeakPolarHBondContact CA-O 3.5Å; P433-A473 HydrophobicContact CB-CB 4.47Å; P433-V537 WeakPolarHBondContact CD-O 3.33Å; P433-V537 HydrophobicContact CG-CB 4.43Å; P433-V537 PolarHBondContact O-N 2.96Å
434	V	97.9	Very high	94.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.4	163.4	167.6	0	0	0	0	108	L460 T461 P472 A473 I474 H475	V434-L460 HydrophobicContact CB-CB 4.48Å; V434-L460 HydrophobicContact CG1-CB 3.64Å; V434-L460 HydrophobicContact CG1-CD1 3.59Å; V434-L460 HydrophobicContact CG1-CG 4.21Å; V434-L460 HydrophobicContact CG2-CB 3.96Å; V434-T461 HydrophobicContact CG2-CG2 3.98Å; V434-P472 HydrophobicContact CG2-CG 4.36Å; V434-A473 PolarHBondContact N-O 2.98Å; V434-I474 HydrophobicContact CB-CG1 4.25Å; V434-I474 HydrophobicContact CG1-CG1 4.46Å; V434-I474 CarbonylContact O-C 3.44Å; V434-I474 WeakPolarHBondContact O-CA 3.36Å; V434-H475 PolarHBondContact O-N 3.18Å
435	I	98.8	Very high	94.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.8	176	-55.6	-173.5	0	0	0	108.7	H475 L477 Y534 M535 V537 F611 L613 P615	I435-H475 WeakPolarHBondContact CA-O 3.31Å; I435-H475 HydrophobicContact CG1-CB 4.34Å; I435-L477 HydrophobicContact CG2-CD1 3.48Å; I435-L477 VanDerWaalsContact CG2-CD1 3.48Å; I435-Y534 CarbonylContact O-C 3.55Å; I435-Y534 WeakPolarHBondContact O-CA 3.43Å; I435-M535 HydrophobicContact CB-CE 4.05Å; I435-M535 HydrophobicContact CB-CG 4.01Å; I435-M535 HydrophobicContact CD1-CE 4.16Å; I435-M535 HydrophobicContact CG2-CE 3.88Å; I435-M535 PolarHBondContact N-O 2.77Å; I435-M535 PolarHBondContact O-N 3.22Å; I435-V537 HydrophobicContact CD1-CB 4.2Å; I435-V537 HydrophobicContact CD1-CG2 3.61Å; I435-V537 HydrophobicContact CG1-CG2 4.02Å; I435-F611 HydrophobicContact CG2-CE2 4.16Å; I435-F611 HydrophobicContact CG2-CZ 4.22Å; I435-L613 HydrophobicContact CD1-CD2 3.52Å; I435-P615 HydrophobicContact CD1-CG 3.64Å; I435-P615 HydrophobicContact CG1-CG 4.38Å; I435-P615 HydrophobicContact CG2-CG 4.34Å
436	G	98.8	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	173.7	0	0	0	0	0	110.2	H475 L476 L477	G436-H475 PolarHBondContact N-O 3.09Å; G436-L476 CarbonylContact O-C 3.48Å; G436-L476 WeakPolarHBondContact O-CA 3.49Å; G436-L477 PolarHBondContact O-N 3.47Å
437	Q	98.8	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.8	179	178.3	-78.1	-50.3	0	0	108.8	L477 W517 I531 K532 T533 F611	Q437-L477 HydrophobicContact CB-CB 3.91Å; Q437-L477 HydrophobicContact CG-CB 3.86Å; Q437-W517 HydrophobicContact CG-CZ3 4.28Å; Q437-I531 PolarHBondContact NE2-O 3.36Å; Q437-I531 PolarHBondContact OE1-O 3.32Å; Q437-K532 CarbonylContact O-C 3.36Å; Q437-K532 VanDerWaalsContact O-CA 3.28Å; Q437-K532 WeakPolarHBondContact O-CA 3.47Å; Q437-T533 PolarHBondContact N-O 3.35Å; Q437-T533 PolarHBondContact O-N 3.08Å; Q437-F611 HydrophobicContact CB-CE1 3.77Å; Q437-F611 HydrophobicContact CB-CZ 3.91Å; Q437-F611 HydrophobicContact CG-CD1 4.34Å; Q437-F611 HydrophobicContact CG-CE1 3.76Å; Q437-F611 HydrophobicContact CG-CZ 4.31Å
438	F	98.8	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.			trans	-153.4	171.5	-174.9	40.6	-92.3	0	0	0	111.9	S440 I441 L476 L477 Y478 K532 L554	F438-S440 VanDerWaalsContact CD2-O 3.31Å; F438-S440 WeakPolarHBondContact CD2-O 3.42Å; F438-I441 HydrophobicContact CD2-CG1 3.84Å; F438-I441 HydrophobicContact CE2-CD1 3.9Å; F438-I441 HydrophobicContact CE2-CG1 3.38Å; F438-I441 HydrophobicContact CZ-CG1 4.36Å; F438-L476 HydrophobicContact CE1-CB 4.26Å; F438-L476 HydrophobicContact CE1-CD2 4.03Å; F438-L476 HydrophobicContact CZ-CB 4.01Å; F438-L476 HydrophobicContact CZ-CD2 4.45Å; F438-L477 PolarHBondContact N-O 2.96Å; F438-Y478 HydrophobicContact CD2-CD2 4Å; F438-Y478 AromaticContact CE2-CD2 3.92Å; F438-Y478 HydrophobicContact CE2-CD2 3.92Å; F438-Y478 HydrophobicContact CE2-CG 4.21Å; F438-K532 HydrophobicContact CB-CB 4.5Å; F438-K532 HydrophobicContact CB-CG 4.13Å; F438-L554 HydrophobicContact CD1-CB 3.7Å; F438-L554 HydrophobicContact CD1-CD2 4.45Å; F438-L554 HydrophobicContact CD2-CB 4.04Å; F438-L554 HydrophobicContact CE1-CB 3.83Å; F438-L554 HydrophobicContact CE1-CD2 3.7Å; F438-L554 HydrophobicContact CE1-CG 4.27Å; F438-L554 HydrophobicContact CE2-CB 4.15Å; F438-L554 HydrophobicContact CE2-CD2 4.2Å; F438-L554 HydrophobicContact CG-CB 3.82Å; F438-L554 HydrophobicContact CZ-CB 4.04Å; F438-L554 HydrophobicContact CZ-CD2 3.54Å; F438-L554 HydrophobicContact CZ-CG 4.41Å
439	S	98.6	Very high	96.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.172	C	C	.	.	S	Bend	trans	-108.3	-8.6	179.3	87.5	0	0	0	0	113.3	L497 P529 H530 K532 N553	S439-L497 CarbonylContact O-C 3.55Å; S439-L497 WeakPolarHBondContact O-CA 3.25Å; S439-P529 WeakPolarHBondContact CB-O 3.33Å; S439-H530 PolarHBondContact OG-CD2 2.74Å; S439-K532 WeakPolarHBondContact OG-CE 3.38Å; S439-K532 PolarHBondContact OG-NZ 2.86Å; S439-N553 PolarHBondContact N-OD1 3.3Å; S439-N553 PolarHBondContact OG-OD1 3.29Å
440	S	98.7	Very high	96.4	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	20%	0.196	C	C	.	.			trans	-149.1	156	-179.5	178.6	0	0	0	0	110.8	F438 P498 N553 L554	F438-S440 VanDerWaalsContact CD2-O 3.31Å; F438-S440 WeakPolarHBondContact CD2-O 3.42Å; S440-P498 WeakPolarHBondContact CB-O 3.42Å; S440-P498 PolarHBondContact OG-O 3.17Å; S440-N553 PolarHBondContact N-OD1 3.35Å; S440-N553 WeakPolarHBondContact O-CB 3.48Å; S440-L554 PolarHBondContact O-N 2.86Å
441	I	98.7	Very high	96.7	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-132.7	126.3	-177.5	-61.5	154.1	0	0	0	108.3	F438 M444 Y478 Y499 Q507 L510 F514 L554	F438-I441 HydrophobicContact CD2-CG1 3.84Å; F438-I441 HydrophobicContact CE2-CD1 3.9Å; F438-I441 HydrophobicContact CE2-CG1 3.38Å; F438-I441 HydrophobicContact CZ-CG1 4.36Å; I441-M444 HydrophobicContact CG2-CE 3.98Å; I441-Y478 HydrophobicContact CD1-CD1 3.94Å; I441-Y478 HydrophobicContact CD1-CD2 3.91Å; I441-Y478 HydrophobicContact CD1-CE1 4.07Å; I441-Y478 HydrophobicContact CD1-CE2 4.06Å; I441-Y478 HydrophobicContact CD1-CG 3.86Å; I441-Y478 HydrophobicContact CG1-CD2 4.37Å; I441-Y478 HydrophobicContact CG1-CE2 4.49Å; I441-Y499 HydrophobicContact CB-CD2 3.6Å; I441-Y499 HydrophobicContact CB-CE2 3.77Å; I441-Y499 HydrophobicContact CB-CG 4Å; I441-Y499 HydrophobicContact CD1-CD1 3.56Å; I441-Y499 HydrophobicContact CD1-CD2 4.17Å; I441-Y499 HydrophobicContact CD1-CE1 3.63Å; I441-Y499 HydrophobicContact CD1-CE2 4.25Å; I441-Y499 HydrophobicContact CD1-CG 3.81Å; I441-Y499 HydrophobicContact CG1-CG 4.46Å; I441-Y499 HydrophobicContact CG2-CD2 3.95Å; I441-Y499 HydrophobicContact CG2-CE2 3.56Å; I441-Q507 VanDerWaalsContact CG2-NE2 3.31Å; I441-L510 HydrophobicContact CG2-CD2 3.79Å; I441-F514 HydrophobicContact CD1-CE1 4.18Å; I441-F514 HydrophobicContact CD1-CE2 4.45Å; I441-F514 HydrophobicContact CD1-CZ 3.64Å; I441-L554 WeakPolarHBondContact CA-O 3.22Å
442	G	97.8	Very high	96.8	Very high	13 Å²	13	29.1 Å²	29.1	13%	0.134	16%	0.157	C	C	.	.			trans	-93.9	179	172.6	0	0	0	0	0	113.3	M444 Q507 L554	G442-M444 PolarHBondContact O-N 2.95Å; G442-Q507 PolarHBondContact O-NE2 2.78Å; G442-Q507 PolarHBondContact O-OE1 3.5Å; G442-L554 PolarHBondContact N-O 3.48Å
443	S	96.8	Very high	96.7	Very high	19 Å²	19	29.8 Å²	29.8	13%	0.133	17%	0.166	C	C	.	.			trans	-68	127.6	171.5	-177.3	0	0	0	0	110.7	K556	S443-K556 WeakPolarHBondContact O-CE 3.29Å
444	M	93.9	Very high	96.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.186	C	C	.	.			trans	-119.9	3.8	178.1	-69	-177.8	-75	0	0	113.2	I441 G442 W451 W509 L510 L554	I441-M444 HydrophobicContact CG2-CE 3.98Å; G442-M444 PolarHBondContact O-N 2.95Å; M444-W451 HydrophobicContact CB-CE3 4.35Å; M444-W451 HydrophobicContact CG-CE3 3.63Å; M444-W451 HydrophobicContact CG-CZ3 4.05Å; M444-W451 HydrophobicContact SD-CE3 3.66Å; M444-W451 HydrophobicContact SD-CZ3 3.7Å; M444-W509 HydrophobicContact CB-CZ2 4.3Å; M444-L510 HydrophobicContact CE-CD1 3.53Å; M444-L510 HydrophobicContact CE-CD2 3.3Å; M444-L510 HydrophobicContact CE-CG 4.01Å; M444-L554 HydrophobicContact CE-CD2 3.7Å; M444-L554 HydrophobicContact CE-CG 4.05Å; M444-L554 HydrophobicContact SD-CD1 4.13Å; M444-L554 HydrophobicContact SD-CD2 3.89Å; M444-L554 HydrophobicContact SD-CG 3.71Å
445	G	94.2	Very high	96.3	Very high	21 Å²	21	32.5 Å²	32.5	22%	0.216	19%	0.191	C	C	.	.			trans	93.9	173.4	178	0	0	0	0	0	114.9	D447 W509	G445-D447 PolarHBondContact O-N 3.09Å; G445-W509 PolarHBondContact O-NE1 2.83Å
446	M	93.8	Very high	96.2	Very high	140 Å²	140	32.5 Å²	32.5	69%	0.69	19%	0.191	S	C	*	.	S	Bend	trans	-63.9	-20.9	-169.7	-62.2	-56.3	-63	0	0	115.1	W509	M446-W509 PolarHBondContact O-NE1 2.79Å
447	D	95.9	Very high	96.1	Very high	54 Å²	54	33.1 Å²	33.1	29%	0.289	19%	0.194	S	C	.	.	S	Bend	trans	-153.2	166.3	-179.7	74.2	83.1	0	0	0	111.3	G445 T449 K450	G445-D447 PolarHBondContact O-N 3.09Å; D447-T449 PolarHBondContact O-N 3.18Å; D447-T449 VanDerWaalsContact O-N 3.11Å; D447-T449 WeakPolarHBondContact OD1-CA 3.29Å; D447-T449 VanDerWaalsContact OD1-CB 3.23Å; D447-T449 WeakPolarHBondContact OD1-CB 3.4Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.39Å; D447-T449 PolarHBondContact OD1-N 2.86Å; D447-T449 PolarHBondContact OD1-OG1 3.13Å; D447-K450 PolarHBondContact O-N 3.11Å; D447-K450 WeakPolarHBondContact OD2-CE 3.2Å; D447-K450 WeakPolarHBondContact OD2-CG 3.47Å
448	K	94.6	Very high	95.8	Very high	85 Å²	85	36.6 Å²	36.6	37%	0.37	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-58.8	-27.2	-174.9	71.4	170.8	-175.1	166.1	0	114.5	K450 L452 A453 W509 Y513	K448-K450 VanDerWaalsContact C-N 3.28Å; K448-K450 PolarHBondContact O-N 2.68Å; K448-L452 PolarHBondContact O-N 3.32Å; K448-A453 HydrophobicContact CB-CB 4.33Å; K448-A453 HydrophobicContact CD-CB 4.26Å; K448-A453 HydrophobicContact CG-CB 4.17Å; K448-A453 WeakPolarHBondContact O-CB 3.37Å; K448-A453 PolarHBondContact O-N 3.42Å; K448-W509 HydrophobicContact CB-CE3 3.85Å; K448-W509 HydrophobicContact CB-CH2 4.07Å; K448-W509 HydrophobicContact CB-CZ3 3.6Å; K448-Y513 VanDerWaalsContact CD-OH 3.27Å; K448-Y513 WeakPolarHBondContact CD-OH 3.32Å
449	T	95.3	Very high	95.7	Very high	86 Å²	86	36.6 Å²	36.6	53%	0.528	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-73	-21.1	-175.6	71.9	0	0	0	0	112.8	D447 W451 G454	D447-T449 PolarHBondContact O-N 3.18Å; D447-T449 VanDerWaalsContact O-N 3.11Å; D447-T449 WeakPolarHBondContact OD1-CA 3.29Å; D447-T449 VanDerWaalsContact OD1-CB 3.23Å; D447-T449 WeakPolarHBondContact OD1-CB 3.4Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.39Å; D447-T449 PolarHBondContact OD1-N 2.86Å; D447-T449 PolarHBondContact OD1-OG1 3.13Å; T449-W451 VanDerWaalsContact C-N 3.34Å; T449-W451 PolarHBondContact O-N 3.01Å; T449-G454 WeakPolarHBondContact O-CA 3.41Å; T449-G454 PolarHBondContact O-N 3.19Å
450	K	95.4	Very high	95.6	Very high	126 Å²	126	36.6 Å²	36.6	55%	0.548	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.7	-26.1	-173.2	-61.4	-60.7	-177.5	176.1	0	115.3	D447 K448	D447-K450 PolarHBondContact O-N 3.11Å; D447-K450 WeakPolarHBondContact OD2-CE 3.2Å; D447-K450 WeakPolarHBondContact OD2-CG 3.47Å; K448-K450 VanDerWaalsContact C-N 3.28Å; K448-K450 PolarHBondContact O-N 2.68Å
451	W	97.2	Very high	95.4	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-158.3	-49.6	175.9	-175	75.5	0	0	0	112.4	M444 T449 E455 F456 L554 K556 W559 G560	M444-W451 HydrophobicContact CB-CE3 4.35Å; M444-W451 HydrophobicContact CG-CE3 3.63Å; M444-W451 HydrophobicContact CG-CZ3 4.05Å; M444-W451 HydrophobicContact SD-CE3 3.66Å; M444-W451 HydrophobicContact SD-CZ3 3.7Å; T449-W451 VanDerWaalsContact C-N 3.34Å; T449-W451 PolarHBondContact O-N 3.01Å; W451-E455 VanDerWaalsContact CD1-OE1 3.28Å; W451-E455 WeakPolarHBondContact O-CB 3.21Å; W451-E455 PolarHBondContact O-N 2.85Å; W451-F456 HydrophobicContact CD2-CB 4.24Å; W451-F456 HydrophobicContact CE3-CB 4.13Å; W451-F456 HydrophobicContact CH2-CB 3.89Å; W451-F456 AromaticContact CH2-CD1 3.72Å; W451-F456 HydrophobicContact CH2-CD1 3.72Å; W451-F456 AromaticContact CH2-CD2 3.87Å; W451-F456 HydrophobicContact CH2-CD2 3.87Å; W451-F456 HydrophobicContact CH2-CE1 4.19Å; W451-F456 HydrophobicContact CH2-CE2 4.34Å; W451-F456 AromaticContact CH2-CG 3.55Å; W451-F456 HydrophobicContact CH2-CG 3.55Å; W451-F456 HydrophobicContact CH2-CZ 4.49Å; W451-F456 HydrophobicContact CZ2-CB 3.99Å; W451-F456 HydrophobicContact CZ2-CD2 4.03Å; W451-F456 AromaticContact CZ2-CG 3.96Å; W451-F456 HydrophobicContact CZ2-CG 3.96Å; W451-F456 HydrophobicContact CZ3-CB 3.97Å; W451-F456 AromaticContact CZ3-CD1 3.76Å; W451-F456 HydrophobicContact CZ3-CD1 3.76Å; W451-F456 HydrophobicContact CZ3-CE1 4.43Å; W451-F456 AromaticContact CZ3-CG 3.89Å; W451-F456 HydrophobicContact CZ3-CG 3.89Å; W451-F456 PolarHBondContact O-N 3.15Å; W451-L554 HydrophobicContact CH2-CD1 4.46Å; W451-L554 HydrophobicContact CZ3-CD1 3.95Å; W451-K556 HydrophobicContact CD2-CG 3.98Å; W451-K556 HydrophobicContact CG-CD 4.31Å; W451-K556 HydrophobicContact CG-CG 3.9Å; W451-W559 HydrophobicContact CH2-CB 3.9Å; W451-W559 HydrophobicContact CH2-CG 4.33Å; W451-W559 HydrophobicContact CZ2-CB 3.67Å; W451-G560 WeakPolarHBondContact CZ2-O 3.49Å; W451-G560 PolarHBondContact NE1-O 2.95Å
452	L	95.9	Very high	95.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	20%	0.2	C	C	.	.	I	π-helix	trans	-60.8	-59.3	-173.2	178.9	59.6	0	0	0	112.1	K448 F456 Q457 I474 L476 W509 L510	K448-L452 PolarHBondContact O-N 3.32Å; L452-F456 HydrophobicContact CD1-CD1 3.99Å; L452-F456 PolarHBondContact O-N 2.85Å; L452-Q457 WeakPolarHBondContact O-CB 3.32Å; L452-Q457 PolarHBondContact O-N 3.38Å; L452-I474 HydrophobicContact CD1-CD1 4.47Å; L452-L476 HydrophobicContact CD2-CD1 4.45Å; L452-W509 HydrophobicContact CB-CH2 4.05Å; L452-W509 HydrophobicContact CD2-CH2 3.93Å; L452-W509 HydrophobicContact CD2-CZ3 3.85Å; L452-L510 HydrophobicContact CD2-CD1 4.07Å
453	A	93.4	Very high	95	Very high	30 Å²	30	35.2 Å²	35.2	25%	0.248	20%	0.195	C	C	.	.	I	π-helix	trans	-81.7	-30.1	177.6	0	0	0	0	0	112.7	K448	K448-A453 HydrophobicContact CB-CB 4.33Å; K448-A453 HydrophobicContact CD-CB 4.26Å; K448-A453 HydrophobicContact CG-CB 4.17Å; K448-A453 WeakPolarHBondContact O-CB 3.37Å; K448-A453 PolarHBondContact O-N 3.42Å
454	G	92.3	Very high	94.9	Very high	50 Å²	50	34.4 Å²	34.4	52%	0.515	19%	0.19	S	C	.	.	I	π-helix	trans	-69.4	-35.3	-178.9	0	0	0	0	0	114.2	T449	T449-G454 WeakPolarHBondContact O-CA 3.41Å; T449-G454 PolarHBondContact O-N 3.19Å
455	E	94.5	Very high	94.6	Very high	22 Å²	22	40.5 Å²	40.5	10%	0.103	22%	0.216	C	C	.	.	I	π-helix	trans	-132.2	-56.5	-170.6	-55	177.9	-121.6	0	0	112.8	H412 R416 W451 R458 T459 L562	H412-E455 IonicContact NE2-OE2 2.94Å; R416-E455 PolarHBondContact NH2-O 2.77Å; W451-E455 VanDerWaalsContact CD1-OE1 3.28Å; W451-E455 WeakPolarHBondContact O-CB 3.21Å; W451-E455 PolarHBondContact O-N 2.85Å; E455-R458 PolarHBondContact O-N 3.25Å; E455-T459 PolarHBondContact O-N 2.94Å; E455-L562 HydrophobicContact CG-CD1 4.11Å; E455-L562 VanDerWaalsContact OE2-CB 3.3Å; E455-L562 WeakPolarHBondContact OE2-CB 3.33Å; E455-L562 VanDerWaalsContact OE2-CG 3.25Å; E455-L562 WeakPolarHBondContact OE2-CG 3.37Å; E455-L562 PolarHBondContact OE2-N 3.18Å
456	F	97.3	Very high	93.8	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.215	C	C	.	.	I	π-helix	trans	-73.5	-38.8	-166.2	-170.9	-126.9	0	0	0	112.1	H412 W451 L452 R458 T459 L460 Y534 L554 W559	H412-F456 HydrophobicContact CB-CD2 3.67Å; H412-F456 HydrophobicContact CB-CE2 3.88Å; W451-F456 HydrophobicContact CD2-CB 4.24Å; W451-F456 HydrophobicContact CE3-CB 4.13Å; W451-F456 HydrophobicContact CH2-CB 3.89Å; W451-F456 AromaticContact CH2-CD1 3.72Å; W451-F456 HydrophobicContact CH2-CD1 3.72Å; W451-F456 AromaticContact CH2-CD2 3.87Å; W451-F456 HydrophobicContact CH2-CD2 3.87Å; W451-F456 HydrophobicContact CH2-CE1 4.19Å; W451-F456 HydrophobicContact CH2-CE2 4.34Å; W451-F456 AromaticContact CH2-CG 3.55Å; W451-F456 HydrophobicContact CH2-CG 3.55Å; W451-F456 HydrophobicContact CH2-CZ 4.49Å; W451-F456 HydrophobicContact CZ2-CB 3.99Å; W451-F456 HydrophobicContact CZ2-CD2 4.03Å; W451-F456 AromaticContact CZ2-CG 3.96Å; W451-F456 HydrophobicContact CZ2-CG 3.96Å; W451-F456 HydrophobicContact CZ3-CB 3.97Å; W451-F456 AromaticContact CZ3-CD1 3.76Å; W451-F456 HydrophobicContact CZ3-CD1 3.76Å; W451-F456 HydrophobicContact CZ3-CE1 4.43Å; W451-F456 AromaticContact CZ3-CG 3.89Å; W451-F456 HydrophobicContact CZ3-CG 3.89Å; W451-F456 PolarHBondContact O-N 3.15Å; L452-F456 HydrophobicContact CD1-CD1 3.99Å; L452-F456 PolarHBondContact O-N 2.85Å; F456-R458 PolarHBondContact O-N 3.01Å; F456-T459 WeakPolarHBondContact O-CA 3.36Å; F456-T459 VanDerWaalsContact O-CB 3.23Å; F456-T459 WeakPolarHBondContact O-CB 3.09Å; F456-T459 PolarHBondContact O-N 3.21Å; F456-L460 HydrophobicContact CD1-CD1 3.99Å; F456-L460 HydrophobicContact CE1-CD1 3.66Å; F456-L460 HydrophobicContact CE1-CG 4.33Å; F456-L460 HydrophobicContact CE2-CD2 4.31Å; F456-L460 HydrophobicContact CZ-CD1 4.04Å; F456-L460 HydrophobicContact CZ-CD2 4.06Å; F456-L460 HydrophobicContact CZ-CG 4.3Å; F456-L460 PolarHBondContact O-N 2.88Å; F456-L460 VanDerWaalsContact O-N 3.14Å; F456-Y534 AromaticContact CE1-CE1 3.96Å; F456-Y534 HydrophobicContact CE1-CE1 3.96Å; F456-Y534 HydrophobicContact CZ-CD1 4.36Å; F456-Y534 AromaticContact CZ-CE1 3.87Å; F456-Y534 HydrophobicContact CZ-CE1 3.87Å; F456-L554 HydrophobicContact CD1-CD1 3.93Å; F456-L554 HydrophobicContact CE1-CD1 3.57Å; F456-W559 HydrophobicContact CD2-CB 4.46Å; F456-W559 HydrophobicContact CD2-CG 4.36Å; F456-W559 HydrophobicContact CE2-CB 4.14Å; F456-W559 AromaticContact CE2-CD1 3.95Å; F456-W559 AromaticContact CE2-CD2 3.48Å; F456-W559 HydrophobicContact CE2-CD2 3.48Å; F456-W559 VanDerWaalsContact CE2-CD2 3.48Å; F456-W559 AromaticContact CE2-CE2 3.78Å; F456-W559 AromaticContact CE2-CE3 3.9Å; F456-W559 HydrophobicContact CE2-CE3 3.9Å; F456-W559 AromaticContact CE2-CG 3.6Å; F456-W559 HydrophobicContact CE2-CG 3.6Å; F456-W559 HydrophobicContact CE2-CZ2 4.39Å; F456-W559 HydrophobicContact CE2-CZ3 4.49Å; F456-W559 AromaticContact CZ-CD1 3.78Å; F456-W559 AromaticContact CZ-CD2 3.85Å; F456-W559 HydrophobicContact CZ-CD2 3.85Å; F456-W559 AromaticContact CZ-CE2 3.65Å; F456-W559 AromaticContact CZ-CG 3.91Å; F456-W559 HydrophobicContact CZ-CG 3.91Å; F456-W559 HydrophobicContact CZ-CZ2 4.21Å; F456-W559 AromaticContact CZ-NE1 3.61Å
457	Q	95.4	Very high	92.7	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-45.6	175.1	179.5	167.6	11.4	0	0	111.3	L452 T459 L460 T461 D471 I474	L452-Q457 WeakPolarHBondContact O-CB 3.32Å; L452-Q457 PolarHBondContact O-N 3.38Å; Q457-T459 PolarHBondContact O-N 3.08Å; Q457-T459 VanDerWaalsContact O-N 3.16Å; Q457-L460 CarbonylContact O-C 3.55Å; Q457-L460 PolarHBondContact O-N 2.8Å; Q457-T461 HydrophobicContact CG-CG2 3.72Å; Q457-T461 VanDerWaalsContact O-CG2 3.32Å; Q457-T461 WeakPolarHBondContact O-CG2 3.2Å; Q457-T461 PolarHBondContact O-N 3.4Å; Q457-T461 PolarHBondContact O-OG1 2.89Å; Q457-D471 PolarHBondContact NE2-OD1 3.21Å; Q457-I474 HydrophobicContact CB-CD1 4.07Å; Q457-I474 HydrophobicContact CG-CD1 3.79Å
458	R	93.6	Very high	91.5	Very high	73 Å²	73	42.3 Å²	42.3	28%	0.275	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-19.8	176.9	-176.9	53.9	-175.8	-173.9	0.5	113	E455 F456 T462 F468	E455-R458 PolarHBondContact O-N 3.25Å; F456-R458 PolarHBondContact O-N 3.01Å; R458-T462 PolarHBondContact O-OG1 3.34Å; R458-F468 PolarHBondContact NH1-O 2.82Å
459	T	96.6	Very high	90.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-55.2	164.5	-72.7	0	0	0	0	110.8	H412 L415 R416 L419 E455 F456 Q457 T461 T462	H412-T459 HydrophobicContact CB-CG2 4.15Å; H412-T459 PolarHBondContact ND1-OG1 2.88Å; H412-T459 WeakPolarHBondContact O-CB 3.46Å; H412-T459 WeakPolarHBondContact O-CG2 3.41Å; H412-T459 PolarHBondContact O-OG1 2.86Å; L415-T459 HydrophobicContact CB-CG2 3.81Å; L415-T459 HydrophobicContact CD2-CG2 3.7Å; L415-T459 HydrophobicContact CG-CG2 3.65Å; R416-T459 HydrophobicContact CB-CG2 4.13Å; R416-T459 PolarHBondContact NE-OG1 3.18Å; R416-T459 PolarHBondContact NH2-OG1 2.93Å; L419-T459 WeakPolarHBondContact CD1-O 3.32Å; E455-T459 PolarHBondContact O-N 2.94Å; F456-T459 WeakPolarHBondContact O-CA 3.36Å; F456-T459 VanDerWaalsContact O-CB 3.23Å; F456-T459 WeakPolarHBondContact O-CB 3.09Å; F456-T459 PolarHBondContact O-N 3.21Å; Q457-T459 PolarHBondContact O-N 3.08Å; Q457-T459 VanDerWaalsContact O-N 3.16Å; T459-T461 VanDerWaalsContact C-N 3.28Å; T459-T461 PolarHBondContact O-N 2.73Å; T459-T462 PolarHBondContact O-N 2.88Å
460	L	96.4	Very high	89.5	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-23.5	-174	-53.4	177	0	0	0	113.4	L415 V434 F456 Q457 Y534 W546	L415-L460 HydrophobicContact CD2-CD2 3.92Å; V434-L460 HydrophobicContact CB-CB 4.48Å; V434-L460 HydrophobicContact CG1-CB 3.64Å; V434-L460 HydrophobicContact CG1-CD1 3.59Å; V434-L460 HydrophobicContact CG1-CG 4.21Å; V434-L460 HydrophobicContact CG2-CB 3.96Å; F456-L460 HydrophobicContact CD1-CD1 3.99Å; F456-L460 HydrophobicContact CE1-CD1 3.66Å; F456-L460 HydrophobicContact CE1-CG 4.33Å; F456-L460 HydrophobicContact CE2-CD2 4.31Å; F456-L460 HydrophobicContact CZ-CD1 4.04Å; F456-L460 HydrophobicContact CZ-CD2 4.06Å; F456-L460 HydrophobicContact CZ-CG 4.3Å; F456-L460 PolarHBondContact O-N 2.88Å; F456-L460 VanDerWaalsContact O-N 3.14Å; Q457-L460 CarbonylContact O-C 3.55Å; Q457-L460 PolarHBondContact O-N 2.8Å; L460-Y534 HydrophobicContact CD1-CD1 4.38Å; L460-Y534 HydrophobicContact CD2-CD1 4.25Å; L460-W546 HydrophobicContact CB-CZ2 4.47Å; L460-W546 HydrophobicContact CD2-CH2 3.94Å; L460-W546 WeakPolarHBondContact O-CZ2 3.45Å
461	T	94.6	Very high	89	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-90.7	-11.9	179.7	67.1	0	0	0	0	114.2	V434 Q457 T459 L463 P472 R536	V434-T461 HydrophobicContact CG2-CG2 3.98Å; Q457-T461 HydrophobicContact CG-CG2 3.72Å; Q457-T461 VanDerWaalsContact O-CG2 3.32Å; Q457-T461 WeakPolarHBondContact O-CG2 3.2Å; Q457-T461 PolarHBondContact O-N 3.4Å; Q457-T461 PolarHBondContact O-OG1 2.89Å; T459-T461 VanDerWaalsContact C-N 3.28Å; T459-T461 PolarHBondContact O-N 2.73Å; T461-L463 PolarHBondContact O-N 2.78Å; T461-P472 HydrophobicContact CG2-CG 3.56Å; T461-R536 VanDerWaalsContact C-NH1 3.29Å; T461-R536 VanDerWaalsContact CA-NH1 3.34Å; T461-R536 PolarHBondContact O-NH1 3.11Å
462	T	95	Very high	88.7	Confident	6 Å²	6	44 Å²	44	4%	0.037	23%	0.231	C	C	.	.			trans	-62.9	127.9	176.8	-79.1	0	0	0	0	111.7	L419 R458 T459	L419-T462 HydrophobicContact CB-CG2 3.91Å; R458-T462 PolarHBondContact O-OG1 3.34Å; T459-T462 PolarHBondContact O-N 2.88Å
463	L	93.8	Very high	88.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.252	C	S	.	.			trans	-133.2	114.3	166.7	-69.5	175.1	0	0	0	109.8	T423 I426 E429 T461 S466 A545	T423-L463 HydrophobicContact CG2-CD2 4.27Å; T423-L463 WeakPolarHBondContact OG1-CA 3.46Å; I426-L463 HydrophobicContact CB-CD1 4.48Å; I426-L463 HydrophobicContact CD1-CD1 4.12Å; I426-L463 HydrophobicContact CG1-CD1 4.18Å; E429-L463 HydrophobicContact CB-CD1 4.18Å; T461-L463 PolarHBondContact O-N 2.78Å; L463-S466 WeakPolarHBondContact O-CB 3.4Å; L463-A545 HydrophobicContact CD1-CB 4.45Å; L463-A545 HydrophobicContact CD2-CB 3.93Å
464	G	93.1	Very high	88.9	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-149.9	-176.8	0	0	0	0	0	114	L419 Y420 T423 S466	L419-G464 PolarHBondContact O-N 3.45Å; Y420-G464 WeakPolarHBondContact CD2-O 3.45Å; Y420-G464 CarbonylContact O-C 3.53Å; Y420-G464 WeakPolarHBondContact O-CA 3.45Å; T423-G464 WeakPolarHBondContact O-CA 3.37Å; T423-G464 PolarHBondContact OG1-N 3.13Å; G464-S466 PolarHBondContact O-N 3.49Å
465	K	88.5	Confident	89.2	Confident	128 Å²	128	45.1 Å²	45.1	56%	0.557	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	28.7	-175.9	-49.9	-160.2	174.1	-161.8	0	113.5	Y420 D421 S467	Y420-K465 HydrophobicContact CD1-CD 4.48Å; Y420-K465 HydrophobicContact CD1-CG 4.3Å; Y420-K465 HydrophobicContact CD2-CG 4.36Å; Y420-K465 HydrophobicContact CE1-CD 3.74Å; Y420-K465 HydrophobicContact CE1-CG 3.84Å; Y420-K465 HydrophobicContact CE2-CB 3.91Å; Y420-K465 HydrophobicContact CE2-CG 3.92Å; Y420-K465 WeakPolarHBondContact O-CG 3.46Å; D421-K465 WeakPolarHBondContact OD1-CE 3.33Å; D421-K465 IonicContact OD1-NZ 3.01Å; D421-K465 PolarHBondContact OD1-NZ 3.42Å; K465-S467 PolarHBondContact O-N 2.86Å
466	S	78	Confident	89.4	Confident	27 Å²	27	44.3 Å²	44.3	19%	0.189	22%	0.224	C	C	.	.			trans	-65.1	125.3	-179.1	-171.1	0	0	0	0	112.1	L463 G464 F468	L463-S466 WeakPolarHBondContact O-CB 3.4Å; G464-S466 PolarHBondContact O-N 3.49Å; S466-F468 WeakPolarHBondContact OG-CB 3.28Å; S466-F468 PolarHBondContact OG-N 2.86Å
467	S	69.8	Low	89.4	Confident	117 Å²	117	44.4 Å²	44.4	82%	0.818	22%	0.224	S	C	*	.			trans	-73.3	-17.3	168.9	55.3	0	0	0	0	112.5	K465	K465-S467 PolarHBondContact O-N 2.86Å
468	F	71.8	Confident	89.6	Confident	110 Å²	110	43.8 Å²	43.8	48%	0.482	22%	0.221	S	C	.	.			trans	-65.9	151.5	179.8	-165.5	-125.7	0	0	0	111.7	E429 E430 R458 S466	E429-F468 HydrophobicContact CG-CD1 4.32Å; E430-F468 HydrophobicContact CB-CE1 4.36Å; R458-F468 PolarHBondContact NH1-O 2.82Å; S466-F468 WeakPolarHBondContact OG-CB 3.28Å; S466-F468 PolarHBondContact OG-N 2.86Å
469	R	72.8	Confident	89.8	Confident	206 Å²	206	40.3 Å²	40.3	78%	0.777	21%	0.208	S	C	*	.			trans	-127.2	73.3	-179.7	-64.6	-169.4	-178.5	-162.4	2.2	109.1
470	S	74	Confident	89.9	Confident	8 Å²	8	40.3 Å²	40.3	6%	0.056	21%	0.208	C	C	.	.			trans	-63.8	137.9	170	49	0	0	0	0	111.1	E429 P472	E429-S470 WeakPolarHBondContact OE1-CB 3.09Å; E429-S470 PolarHBondContact OE1-OG 3.15Å; S470-P472 VanDerWaalsContact O-CD 3.23Å; S470-P472 WeakPolarHBondContact O-CD 3.32Å
471	D	85.1	Confident	90.1	Very high	116 Å²	116	41.3 Å²	41.3	62%	0.62	21%	0.214	S	C	*	.			trans	-112.5	67.5	169.1	-171.6	-0.8	0	0	0	108.4	Q457	Q457-D471 PolarHBondContact NE2-OD1 3.21Å
472	P	91.5	Very high	90.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.013	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.3	157.6	179	33.1	-38.3	0	0	0	111	E430 W432 V434 T461 S470 I474	E430-P472 WeakPolarHBondContact O-CA 3.42Å; E430-P472 WeakPolarHBondContact O-CB 3.48Å; W432-P472 VanDerWaalsContact O-CB 3.3Å; W432-P472 WeakPolarHBondContact O-CB 3.19Å; V434-P472 HydrophobicContact CG2-CG 4.36Å; T461-P472 HydrophobicContact CG2-CG 3.56Å; S470-P472 VanDerWaalsContact O-CD 3.23Å; S470-P472 WeakPolarHBondContact O-CD 3.32Å; P472-I474 PolarHBondContact O-N 2.65Å
473	A	95.1	Very high	90.4	Very high	56 Å²	56	44 Å²	44	46%	0.463	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-54.1	133.7	175.3	0	0	0	0	0	112.1	P433 V434	P433-A473 CarbonylContact C-O 3.56Å; P433-A473 VanDerWaalsContact CA-O 3.27Å; P433-A473 WeakPolarHBondContact CA-O 3.5Å; P433-A473 HydrophobicContact CB-CB 4.47Å; V434-A473 PolarHBondContact N-O 2.98Å
474	I	97.2	Very high	90.6	Very high	10 Å²	10	44 Å²	44	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.2	169.5	-61.2	176.5	0	0	0	108.1	V434 L452 Q457 P472 L476 Y513	V434-I474 HydrophobicContact CB-CG1 4.25Å; V434-I474 HydrophobicContact CG1-CG1 4.46Å; V434-I474 CarbonylContact O-C 3.44Å; V434-I474 WeakPolarHBondContact O-CA 3.36Å; L452-I474 HydrophobicContact CD1-CD1 4.47Å; Q457-I474 HydrophobicContact CB-CD1 4.07Å; Q457-I474 HydrophobicContact CG-CD1 3.79Å; P472-I474 PolarHBondContact O-N 2.65Å; I474-L476 HydrophobicContact CG2-CD2 3.48Å; I474-L476 VanDerWaalsContact CG2-CD2 3.48Å; I474-L476 HydrophobicContact CG2-CG 3.84Å; I474-Y513 HydrophobicContact CB-CD1 4.05Å; I474-Y513 HydrophobicContact CB-CE1 4.2Å; I474-Y513 HydrophobicContact CG2-CD1 4.35Å
475	H	98.4	Very high	90.9	Very high	41 Å²	41	45.8 Å²	45.8	19%	0.19	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.2	169.4	-51.9	143.4	0	0	0	109.3	V434 I435 G436 L477 H515 P615	V434-H475 PolarHBondContact O-N 3.18Å; I435-H475 WeakPolarHBondContact CA-O 3.31Å; I435-H475 HydrophobicContact CG1-CB 4.34Å; G436-H475 PolarHBondContact N-O 3.09Å; H475-L477 HydrophobicContact CB-CD1 4.46Å; H475-H515 AromaticContact CD2-CE1 3.6Å; H475-H515 AromaticContact CD2-NE2 3.64Å; H475-H515 AromaticContact CG-CE1 3.95Å; H475-H515 AromaticContact CG-NE2 3.92Å; H475-P615 HydrophobicContact CB-CB 4.33Å; H475-P615 HydrophobicContact CB-CG 4.07Å
476	L	98.7	Very high	91.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.8	179.7	-62.2	-174.7	0	0	0	110	G436 F438 L452 I474 L510 Y513 F514 H515 L554	G436-L476 CarbonylContact O-C 3.48Å; G436-L476 WeakPolarHBondContact O-CA 3.49Å; F438-L476 HydrophobicContact CE1-CB 4.26Å; F438-L476 HydrophobicContact CE1-CD2 4.03Å; F438-L476 HydrophobicContact CZ-CB 4.01Å; F438-L476 HydrophobicContact CZ-CD2 4.45Å; L452-L476 HydrophobicContact CD2-CD1 4.45Å; I474-L476 HydrophobicContact CG2-CD2 3.48Å; I474-L476 VanDerWaalsContact CG2-CD2 3.48Å; I474-L476 HydrophobicContact CG2-CG 3.84Å; L476-L510 HydrophobicContact CD1-CD1 3.62Å; L476-Y513 HydrophobicContact CD1-CG 4.37Å; L476-Y513 PolarHBondContact N-O 2.98Å; L476-F514 HydrophobicContact CB-CD1 4Å; L476-F514 HydrophobicContact CB-CE1 4.43Å; L476-F514 HydrophobicContact CD1-CE1 4.41Å; L476-F514 CarbonylContact O-C 3.57Å; L476-F514 WeakPolarHBondContact O-CA 3.31Å; L476-H515 PolarHBondContact O-N 2.94Å; L476-L554 HydrophobicContact CD1-CD2 3.93Å; L476-L554 HydrophobicContact CD2-CD2 4.42Å
477	L	98.8	Very high	92.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.2	179.3	-75	71.7	0	0	0	110.2	I435 G436 Q437 F438 H475 H515 F611 P615	I435-L477 HydrophobicContact CG2-CD1 3.48Å; I435-L477 VanDerWaalsContact CG2-CD1 3.48Å; G436-L477 PolarHBondContact O-N 3.47Å; Q437-L477 HydrophobicContact CB-CB 3.91Å; Q437-L477 HydrophobicContact CG-CB 3.86Å; F438-L477 PolarHBondContact N-O 2.96Å; H475-L477 HydrophobicContact CB-CD1 4.46Å; L477-H515 WeakPolarHBondContact CA-O 3.38Å; L477-H515 HydrophobicContact CD1-CB 4.14Å; L477-H515 HydrophobicContact CG-CB 4.05Å; L477-F611 HydrophobicContact CD2-CD1 4.48Å; L477-F611 HydrophobicContact CD2-CD2 3.55Å; L477-F611 HydrophobicContact CD2-CE1 4.42Å; L477-F611 HydrophobicContact CD2-CE2 3.47Å; L477-F611 VanDerWaalsContact CD2-CE2 3.47Å; L477-F611 HydrophobicContact CD2-CG 4.07Å; L477-F611 HydrophobicContact CD2-CZ 3.93Å; L477-P615 HydrophobicContact CD1-CB 3.83Å; L477-P615 HydrophobicContact CD1-CG 3.84Å; L477-P615 HydrophobicContact CG-CB 4.33Å
478	Y	98.8	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.			trans	-144.6	136.2	176.9	-177	-104.7	0	0	0	109.3	F438 I441 S480 L497 Y499 H515 Y618 P624 W625	F438-Y478 HydrophobicContact CD2-CD2 4Å; F438-Y478 AromaticContact CE2-CD2 3.92Å; F438-Y478 HydrophobicContact CE2-CD2 3.92Å; F438-Y478 HydrophobicContact CE2-CG 4.21Å; I441-Y478 HydrophobicContact CD1-CD1 3.94Å; I441-Y478 HydrophobicContact CD1-CD2 3.91Å; I441-Y478 HydrophobicContact CD1-CE1 4.07Å; I441-Y478 HydrophobicContact CD1-CE2 4.06Å; I441-Y478 HydrophobicContact CD1-CG 3.86Å; I441-Y478 HydrophobicContact CG1-CD2 4.37Å; I441-Y478 HydrophobicContact CG1-CE2 4.49Å; Y478-S480 PolarHBondContact O-N 2.83Å; Y478-L497 PolarHBondContact OH-O 2.9Å; Y478-L497 VanDerWaalsContact OH-O 3.09Å; Y478-Y499 HydrophobicContact CE1-CD1 4.12Å; Y478-Y499 WeakPolarHBondContact OH-CB 3.49Å; Y478-H515 PolarHBondContact N-O 3.37Å; Y478-Y618 WeakPolarHBondContact O-CE1 3.22Å; Y478-Y618 PolarHBondContact O-OH 3.23Å; Y478-P624 HydrophobicContact CD1-CB 3.98Å; Y478-P624 HydrophobicContact CE1-CB 4Å; Y478-W625 HydrophobicContact CE1-CB 4.1Å; Y478-W625 WeakPolarHBondContact CE1-O 3.11Å; Y478-W625 PolarHBondContact OH-O 3.39Å; Y478-W625 VanDerWaalsContact OH-O 3.07Å
479	P	98.8	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.			trans	-58.9	130.7	-178	-27.4	37.5	0	0	0	113.1	D483 V484 L497 W517 M528 P529 Y618 W625	P479-D483 HydrophobicContact CB-CB 4.12Å; P479-V484 HydrophobicContact CB-CG2 3.81Å; P479-L497 HydrophobicContact CB-CD1 3.89Å; P479-L497 HydrophobicContact CG-CD1 3.8Å; P479-L497 HydrophobicContact CG-CD2 3.96Å; P479-W517 HydrophobicContact CG-CB 4.36Å; P479-M528 HydrophobicContact CB-SD 3.91Å; P479-M528 HydrophobicContact CG-SD 4.07Å; P479-P529 HydrophobicContact CG-CG 3.58Å; P479-Y618 PolarHBondContact O-OH 3.11Å; P479-W625 WeakPolarHBondContact O-CB 3.19Å; P479-W625 PolarHBondContact O-N 2.73Å
480	S	98.8	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-73.1	165.9	166.3	62.2	0	0	0	0	111.1	Y478 E482 D483 V484 R516 Y618 Q623	Y478-S480 PolarHBondContact O-N 2.83Å; S480-E482 PolarHBondContact O-N 3.18Å; S480-D483 PolarHBondContact N-OD2 2.85Å; S480-D483 PolarHBondContact O-N 2.85Å; S480-D483 VanDerWaalsContact O-N 3.12Å; S480-D483 PolarHBondContact OG-N 3.25Å; S480-D483 PolarHBondContact OG-OD2 3.15Å; S480-V484 PolarHBondContact O-N 2.77Å; S480-V484 VanDerWaalsContact O-N 3.14Å; S480-R516 WeakPolarHBondContact OG-CD 3.39Å; S480-R516 PolarHBondContact OG-NE 2.95Å; S480-R516 PolarHBondContact OG-NH2 3.33Å; S480-Y618 WeakPolarHBondContact CA-OH 3.22Å; S480-Y618 PolarHBondContact N-OH 3.28Å; S480-Q623 CarbonylContact C-O 3.58Å; S480-Q623 WeakPolarHBondContact CA-O 3.3Å; S480-Q623 WeakPolarHBondContact CB-O 3.47Å
481	V	98.8	Very high	97.2	Very high	24 Å²	24	21.7 Å²	21.7	15%	0.145	12%	0.118	C	C	.	.	H	α-helix	trans	-51.6	-40.1	170.2	-179.8	0	0	0	0	111.6	V484 R485 Y491 Q623 P624 Y631	V481-V484 PolarHBondContact O-N 2.89Å; V481-R485 VanDerWaalsContact O-CB 3.31Å; V481-R485 WeakPolarHBondContact O-CB 3.49Å; V481-R485 PolarHBondContact O-N 3.49Å; V481-Y491 HydrophobicContact CG1-CE1 4.44Å; V481-Q623 HydrophobicContact CG2-CB 4.01Å; V481-Q623 PolarHBondContact N-O 3.38Å; V481-P624 WeakPolarHBondContact CG2-O 3.22Å; V481-Y631 HydrophobicContact CB-CE1 4.28Å; V481-Y631 HydrophobicContact CG1-CD1 3.67Å; V481-Y631 HydrophobicContact CG1-CE1 3.73Å; V481-Y631 HydrophobicContact CG1-CG 4.12Å; V481-Y631 HydrophobicContact CG2-CD1 4.27Å; V481-Y631 HydrophobicContact CG2-CE1 3.45Å; V481-Y631 VanDerWaalsContact CG2-CE1 3.45Å; V481-Y631 WeakPolarHBondContact CG2-OH 3.3Å
482	E	98.5	Very high	97.7	Very high	67 Å²	67	17.3 Å²	17.3	31%	0.313	10%	0.097	S	C	.	.	H	α-helix	trans	-74	-33.1	-179.3	-179.6	62.1	-177.7	0	0	113	S480 V484 R485 T486	S480-E482 PolarHBondContact O-N 3.18Å; E482-V484 VanDerWaalsContact C-N 3.32Å; E482-R485 IonicContact OE1-CZ 3.46Å; E482-R485 IonicContact OE1-NH2 3.17Å; E482-R485 PolarHBondContact OE1-NH2 3.07Å; E482-R485 IonicContact OE2-CZ 3.55Å; E482-R485 VanDerWaalsContact OE2-CZ 3.25Å; E482-R485 IonicContact OE2-NE 2.91Å; E482-R485 PolarHBondContact OE2-NE 2.91Å; E482-R485 IonicContact OE2-NH2 3.37Å; E482-R485 PolarHBondContact OE2-NH2 2.71Å; E482-T486 WeakPolarHBondContact O-CB 3.47Å; E482-T486 WeakPolarHBondContact O-CG2 3.38Å; E482-T486 PolarHBondContact O-N 2.99Å; E482-T486 VanDerWaalsContact O-N 3.11Å; E482-T486 PolarHBondContact O-OG1 3.06Å; E482-T486 VanDerWaalsContact OE1-CG2 3.29Å; E482-T486 WeakPolarHBondContact OE1-CG2 3.49Å
483	D	98.7	Very high	98	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-62.7	-41.3	171.6	-63.6	-42.1	0	0	0	111.1	P479 S480 S487 R516 W517 K518 M528	P479-D483 HydrophobicContact CB-CB 4.12Å; S480-D483 PolarHBondContact N-OD2 2.85Å; S480-D483 PolarHBondContact O-N 2.85Å; S480-D483 VanDerWaalsContact O-N 3.12Å; S480-D483 PolarHBondContact OG-N 3.25Å; S480-D483 PolarHBondContact OG-OD2 3.15Å; D483-S487 PolarHBondContact O-N 2.84Å; D483-R516 VanDerWaalsContact CG-NE 3.25Å; D483-R516 IonicContact OD1-CZ 3.41Å; D483-R516 VanDerWaalsContact OD1-CZ 3.24Å; D483-R516 IonicContact OD1-NE 3.45Å; D483-R516 PolarHBondContact OD1-NE 3.42Å; D483-R516 IonicContact OD1-NH2 2.66Å; D483-R516 PolarHBondContact OD1-NH2 3.46Å; D483-R516 IonicContact OD2-CZ 2.72Å; D483-R516 IonicContact OD2-NE 2.89Å; D483-R516 PolarHBondContact OD2-NE 3.46Å; D483-R516 IonicContact OD2-NH2 3.25Å; D483-W517 HydrophobicContact CB-CB 4.42Å; D483-W517 PolarHBondContact OD2-N 3.16Å; D483-K518 IonicContact OD1-NZ 3.85Å; D483-K518 PolarHBondContact OD1-NZ 3.45Å; D483-M528 HydrophobicContact CB-CE 4.13Å; D483-M528 HydrophobicContact CB-SD 4.12Å; D483-M528 WeakPolarHBondContact O-CE 3.33Å
484	V	98.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.2	-48.3	179.5	-180	0	0	0	0	111.5	P479 S480 V481 E482 T486 S487 G490 A493 L497 M528 W625	P479-V484 HydrophobicContact CB-CG2 3.81Å; S480-V484 PolarHBondContact O-N 2.77Å; S480-V484 VanDerWaalsContact O-N 3.14Å; V481-V484 PolarHBondContact O-N 2.89Å; E482-V484 VanDerWaalsContact C-N 3.32Å; V484-T486 VanDerWaalsContact C-N 3.28Å; V484-T486 PolarHBondContact O-N 3.39Å; V484-S487 WeakPolarHBondContact O-CB 3.38Å; V484-S487 PolarHBondContact O-N 3.32Å; V484-S487 PolarHBondContact O-OG 2.91Å; V484-G490 CarbonylContact O-C 3.51Å; V484-G490 VanDerWaalsContact O-O 3.09Å; V484-A493 HydrophobicContact CG1-CB 4.32Å; V484-L497 HydrophobicContact CG2-CD1 3.46Å; V484-L497 VanDerWaalsContact CG2-CD1 3.46Å; V484-M528 HydrophobicContact CG2-SD 4.09Å; V484-W625 HydrophobicContact CB-CD2 4.23Å; V484-W625 HydrophobicContact CB-CE3 3.8Å; V484-W625 HydrophobicContact CB-CZ3 4.28Å; V484-W625 HydrophobicContact CG1-CD2 4.08Å; V484-W625 HydrophobicContact CG1-CE3 3.78Å; V484-W625 HydrophobicContact CG1-CH2 4.28Å; V484-W625 HydrophobicContact CG1-CZ3 3.89Å; V484-W625 HydrophobicContact CG2-CB 3.93Å; V484-W625 HydrophobicContact CG2-CD2 3.97Å; V484-W625 HydrophobicContact CG2-CE3 4.01Å; V484-W625 HydrophobicContact CG2-CG 3.92Å
485	R	98.6	Very high	98	Very high	42 Å²	42	15.5 Å²	15.5	16%	0.158	9%	0.086	C	C	.	.	H	α-helix	trans	-57.7	-39.9	179.3	-172.6	-172.8	72.8	96.4	-12.8	112.6	V481 E482 S487 Y491 E634 P635 D636 T637	V481-R485 VanDerWaalsContact O-CB 3.31Å; V481-R485 WeakPolarHBondContact O-CB 3.49Å; V481-R485 PolarHBondContact O-N 3.49Å; E482-R485 IonicContact OE1-CZ 3.46Å; E482-R485 IonicContact OE1-NH2 3.17Å; E482-R485 PolarHBondContact OE1-NH2 3.07Å; E482-R485 IonicContact OE2-CZ 3.55Å; E482-R485 VanDerWaalsContact OE2-CZ 3.25Å; E482-R485 IonicContact OE2-NE 2.91Å; E482-R485 PolarHBondContact OE2-NE 2.91Å; E482-R485 IonicContact OE2-NH2 3.37Å; E482-R485 PolarHBondContact OE2-NH2 2.71Å; R485-S487 VanDerWaalsContact C-N 3.31Å; R485-Y491 HydrophobicContact CB-CD1 4.3Å; R485-Y491 HydrophobicContact CB-CE1 3.67Å; R485-Y491 WeakPolarHBondContact CD-OH 3.49Å; R485-Y491 HydrophobicContact CG-CE1 3.89Å; R485-Y491 HydrophobicContact CG-CE2 4.13Å; R485-E634 IonicContact CZ-OE2 3.53Å; R485-E634 IonicContact NE-OE2 2.75Å; R485-E634 PolarHBondContact NE-OE2 2.93Å; R485-E634 IonicContact NH1-OE2 2.76Å; R485-E634 PolarHBondContact NH1-OE2 3.41Å; R485-E634 IonicContact NH2-OE2 2.91Å; R485-E634 PolarHBondContact NH2-OE2 3.2Å; R485-P635 WeakPolarHBondContact CD-O 3.23Å; R485-P635 WeakPolarHBondContact CG-O 3.27Å; R485-P635 PolarHBondContact NH1-O 3.02Å; R485-D636 HydrophobicContact CG-CB 4.18Å; R485-D636 WeakPolarHBondContact O-CA 3.38Å; R485-D636 WeakPolarHBondContact O-CB 3.34Å; R485-T637 PolarHBondContact O-N 3.35Å
486	T	98.3	Very high	98	Very high	39 Å²	39	15 Å²	15	24%	0.239	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.9	178.8	64.2	0	0	0	0	113.7	E482 V484 H526	E482-T486 WeakPolarHBondContact O-CB 3.47Å; E482-T486 WeakPolarHBondContact O-CG2 3.38Å; E482-T486 PolarHBondContact O-N 2.99Å; E482-T486 VanDerWaalsContact O-N 3.11Å; E482-T486 PolarHBondContact O-OG1 3.06Å; E482-T486 VanDerWaalsContact OE1-CG2 3.29Å; E482-T486 WeakPolarHBondContact OE1-CG2 3.49Å; V484-T486 VanDerWaalsContact C-N 3.28Å; V484-T486 PolarHBondContact O-N 3.39Å; T486-H526 PolarHBondContact O-ND1 3.25Å
487	S	98.6	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	9%	0.086	C	C	.	.	S	Bend	trans	-75.5	166.4	-179.7	79.9	0	0	0	0	113.5	D483 V484 R485 E489 G490 H526 T637	D483-S487 PolarHBondContact O-N 2.84Å; V484-S487 WeakPolarHBondContact O-CB 3.38Å; V484-S487 PolarHBondContact O-N 3.32Å; V484-S487 PolarHBondContact O-OG 2.91Å; R485-S487 VanDerWaalsContact C-N 3.31Å; S487-E489 PolarHBondContact O-N 3.46Å; S487-E489 PolarHBondContact OG-N 3Å; S487-G490 PolarHBondContact O-N 3.09Å; S487-G490 VanDerWaalsContact O-N 3.16Å; S487-G490 PolarHBondContact OG-N 2.84Å; S487-G490 PolarHBondContact OG-O 3.37Å; S487-H526 CarbonylContact C-O 3.57Å; S487-H526 VanDerWaalsContact CA-O 3.32Å; S487-H526 WeakPolarHBondContact CA-O 3.39Å; S487-H526 WeakPolarHBondContact CB-O 3.47Å; S487-T637 WeakPolarHBondContact O-CB 3.39Å; S487-T637 VanDerWaalsContact O-CG2 3.27Å; S487-T637 WeakPolarHBondContact O-CG2 3Å; S487-T637 PolarHBondContact O-OG1 2.63Å
488	L	97.3	Very high	97.9	Very high	39 Å²	39	17.2 Å²	17.2	20%	0.204	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.7	175.6	-69.4	174.9	0	0	0	113	V210 L213 Q330 H526 A527 H638	V210-L488 HydrophobicContact CG1-CD1 3.88Å; L213-L488 HydrophobicContact CD2-CD1 4.05Å; Q330-L488 HydrophobicContact CB-CB 4.12Å; Q330-L488 HydrophobicContact CB-CD1 4.36Å; Q330-L488 HydrophobicContact CG-CB 4.18Å; Q330-L488 HydrophobicContact CG-CD1 4.19Å; Q330-L488 PolarHBondContact OE1-O 2.92Å; L488-H526 HydrophobicContact CD2-CB 4.37Å; L488-H526 HydrophobicContact CG-CB 3.99Å; L488-H526 PolarHBondContact N-O 3.44Å; L488-A527 HydrophobicContact CD1-CB 4.11Å; L488-H638 PolarHBondContact O-NE2 2.52Å
489	E	96.5	Very high	97.9	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.014	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.6	178.1	-62.3	178.9	90.3	0	0	112.9	Y183 Q330 K331 S487 P492 A493 H638	Y183-E489 PolarHBondContact OH-OE1 2.94Å; Q330-E489 HydrophobicContact CB-CG 3.7Å; K331-E489 VanDerWaalsContact CG-OE2 3.32Å; K331-E489 WeakPolarHBondContact CG-OE2 3.44Å; K331-E489 IonicContact NZ-OE1 2.92Å; K331-E489 PolarHBondContact NZ-OE1 3.3Å; K331-E489 IonicContact NZ-OE2 2.79Å; K331-E489 PolarHBondContact NZ-OE2 3.1Å; S487-E489 PolarHBondContact O-N 3.46Å; S487-E489 PolarHBondContact OG-N 3Å; E489-P492 VanDerWaalsContact O-CD 3.31Å; E489-P492 WeakPolarHBondContact O-CD 3.32Å; E489-A493 HydrophobicContact CB-CB 3.9Å; E489-A493 HydrophobicContact CG-CB 4.48Å; E489-A493 WeakPolarHBondContact OE2-CB 3.3Å; E489-H638 PolarHBondContact O-CD2 3.2Å
490	G	97.8	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.104	C	C	.	.			trans	69.8	-151.1	-168.9	0	0	0	0	0	112.8	V484 S487 P492 A493 T637	V484-G490 CarbonylContact O-C 3.51Å; V484-G490 VanDerWaalsContact O-O 3.09Å; S487-G490 PolarHBondContact O-N 3.09Å; S487-G490 VanDerWaalsContact O-N 3.16Å; S487-G490 PolarHBondContact OG-N 2.84Å; S487-G490 PolarHBondContact OG-O 3.37Å; G490-P492 VanDerWaalsContact C-CD 3.41Å; G490-P492 VanDerWaalsContact C-N 3.3Å; G490-A493 PolarHBondContact O-N 2.9Å; G490-T637 WeakPolarHBondContact CA-OG1 3.4Å; G490-T637 PolarHBondContact N-OG1 3.08Å
491	Y	98.1	Very high	97.8	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.027	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.1	176.1	-73.8	-51.5	0	0	0	114.8	V481 R485 A493 G494 W625 Y631 E634 D636 W642	V481-Y491 HydrophobicContact CG1-CE1 4.44Å; R485-Y491 HydrophobicContact CB-CD1 4.3Å; R485-Y491 HydrophobicContact CB-CE1 3.67Å; R485-Y491 WeakPolarHBondContact CD-OH 3.49Å; R485-Y491 HydrophobicContact CG-CE1 3.89Å; R485-Y491 HydrophobicContact CG-CE2 4.13Å; Y491-A493 PolarHBondContact O-N 3Å; Y491-A493 VanDerWaalsContact O-N 3.13Å; Y491-G494 WeakPolarHBondContact O-CA 3.41Å; Y491-G494 PolarHBondContact O-N 2.86Å; Y491-W625 AromaticContact CD1-CH2 3.85Å; Y491-W625 HydrophobicContact CD1-CH2 3.85Å; Y491-W625 AromaticContact CD1-CZ3 3.52Å; Y491-W625 HydrophobicContact CD1-CZ3 3.52Å; Y491-W625 AromaticContact CE1-CZ3 3.92Å; Y491-W625 HydrophobicContact CE1-CZ3 3.92Å; Y491-Y631 HydrophobicContact CE1-CD2 4.35Å; Y491-Y631 HydrophobicContact CE1-CG 4.26Å; Y491-E634 PolarHBondContact OH-O 3.3Å; Y491-D636 HydrophobicContact CD2-CB 3.62Å; Y491-D636 HydrophobicContact CE2-CB 4.06Å; Y491-D636 HydrophobicContact CG-CB 4.04Å; Y491-D636 PolarHBondContact N-OD2 2.97Å; Y491-W642 HydrophobicContact CD1-CB 4.11Å; Y491-W642 HydrophobicContact CD2-CB 3.95Å; Y491-W642 HydrophobicContact CE2-CB 4.49Å; Y491-W642 HydrophobicContact CG-CB 3.74Å
492	P	96.6	Very high	97.8	Very high	25 Å²	25	22.4 Å²	22.4	16%	0.162	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-50.5	-29	172.2	-34.3	37.9	0	0	0	116.9	H179 Y183 E489 G490 G494 G495	H179-P492 WeakPolarHBondContact NE2-CG 3.47Å; Y183-P492 HydrophobicContact CE2-CB 4.3Å; Y183-P492 HydrophobicContact CE2-CG 4.45Å; E489-P492 VanDerWaalsContact O-CD 3.31Å; E489-P492 WeakPolarHBondContact O-CD 3.32Å; G490-P492 VanDerWaalsContact C-CD 3.41Å; G490-P492 VanDerWaalsContact C-N 3.3Å; P492-G494 PolarHBondContact O-N 3.15Å; P492-G495 PolarHBondContact O-N 3.4Å; P492-G495 VanDerWaalsContact O-N 3.11Å
493	A	97.5	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.8	171.6	0	0	0	0	0	112.2	V484 E489 G490 Y491 G495 S496 M528	V484-A493 HydrophobicContact CG1-CB 4.32Å; E489-A493 HydrophobicContact CB-CB 3.9Å; E489-A493 HydrophobicContact CG-CB 4.48Å; E489-A493 WeakPolarHBondContact OE2-CB 3.3Å; G490-A493 PolarHBondContact O-N 2.9Å; Y491-A493 PolarHBondContact O-N 3Å; Y491-A493 VanDerWaalsContact O-N 3.13Å; A493-G495 PolarHBondContact O-N 3.41Å; A493-S496 WeakPolarHBondContact O-CB 3.32Å; A493-S496 PolarHBondContact O-N 2.91Å; A493-M528 HydrophobicContact CB-CB 3.89Å; A493-M528 HydrophobicContact CB-CG 3.63Å
494	G	97.3	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.7	178.6	0	0	0	0	0	115.3	Y491 P492 S496 L497 W625	Y491-G494 WeakPolarHBondContact O-CA 3.41Å; Y491-G494 PolarHBondContact O-N 2.86Å; P492-G494 PolarHBondContact O-N 3.15Å; G494-S496 PolarHBondContact O-N 3.05Å; G494-L497 PolarHBondContact O-N 2.96Å; G494-L497 VanDerWaalsContact O-N 3.08Å; G494-W625 VanDerWaalsContact CA-CZ2 3.46Å; G494-W625 PolarHBondContact O-NE1 2.9Å
495	G	95.2	Very high	97.7	Very high	30 Å²	30	25.4 Å²	25.4	31%	0.309	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-65.4	-23.4	170.1	0	0	0	0	0	113.4	P492 A493	P492-G495 PolarHBondContact O-N 3.4Å; P492-G495 VanDerWaalsContact O-N 3.11Å; A493-G495 PolarHBondContact O-N 3.41Å
496	S	96.8	Very high	97.6	Very high	29 Å²	29	26.9 Å²	26.9	20%	0.203	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-92.2	4	173.1	-54.6	0	0	0	0	113.3	K331 A493 G494 P498	K331-S496 WeakPolarHBondContact CE-OG 3.1Å; K331-S496 PolarHBondContact NZ-OG 3.07Å; A493-S496 WeakPolarHBondContact O-CB 3.32Å; A493-S496 PolarHBondContact O-N 2.91Å; G494-S496 PolarHBondContact O-N 3.05Å; S496-P498 VanDerWaalsContact O-CD 3.29Å; S496-P498 WeakPolarHBondContact O-CD 3.3Å
497	L	98.3	Very high	97.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	-118.1	60.7	-177.4	-63.9	171.9	0	0	0	112.3	S439 Y478 P479 V484 G494 Y499 M528 P529 W625	S439-L497 CarbonylContact O-C 3.55Å; S439-L497 WeakPolarHBondContact O-CA 3.25Å; Y478-L497 PolarHBondContact OH-O 2.9Å; Y478-L497 VanDerWaalsContact OH-O 3.09Å; P479-L497 HydrophobicContact CB-CD1 3.89Å; P479-L497 HydrophobicContact CG-CD1 3.8Å; P479-L497 HydrophobicContact CG-CD2 3.96Å; V484-L497 HydrophobicContact CG2-CD1 3.46Å; V484-L497 VanDerWaalsContact CG2-CD1 3.46Å; G494-L497 PolarHBondContact O-N 2.96Å; G494-L497 VanDerWaalsContact O-N 3.08Å; L497-Y499 PolarHBondContact O-N 2.89Å; L497-M528 HydrophobicContact CD1-CB 4.47Å; L497-M528 HydrophobicContact CD1-CG 4.46Å; L497-P529 WeakPolarHBondContact CD2-O 3.45Å; L497-W625 VanDerWaalsContact CB-CD1 3.47Å; L497-W625 HydrophobicContact CB-CG 4.36Å; L497-W625 HydrophobicContact CD1-CG 4.47Å; L497-W625 VanDerWaalsContact O-CD1 3.25Å
498	P	97.8	Very high	97.5	Very high	53 Å²	53	30.3 Å²	30.3	34%	0.344	16%	0.164	S	C	.	.			trans	-74.8	98.9	-170.4	28.3	-33.3	0	0	0	113	S440 S496	S440-P498 WeakPolarHBondContact CB-O 3.42Å; S440-P498 PolarHBondContact OG-O 3.17Å; S496-P498 VanDerWaalsContact O-CD 3.29Å; S496-P498 WeakPolarHBondContact O-CD 3.3Å
499	Y	98.6	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.			trans	-124.9	114.9	160.4	-177.8	-152.1	0	0	0	108.2	I441 Y478 L497 T503 A504 Q507 H511 F514 P624 I626 W627	I441-Y499 HydrophobicContact CB-CD2 3.6Å; I441-Y499 HydrophobicContact CB-CE2 3.77Å; I441-Y499 HydrophobicContact CB-CG 4Å; I441-Y499 HydrophobicContact CD1-CD1 3.56Å; I441-Y499 HydrophobicContact CD1-CD2 4.17Å; I441-Y499 HydrophobicContact CD1-CE1 3.63Å; I441-Y499 HydrophobicContact CD1-CE2 4.25Å; I441-Y499 HydrophobicContact CD1-CG 3.81Å; I441-Y499 HydrophobicContact CG1-CG 4.46Å; I441-Y499 HydrophobicContact CG2-CD2 3.95Å; I441-Y499 HydrophobicContact CG2-CE2 3.56Å; Y478-Y499 HydrophobicContact CE1-CD1 4.12Å; Y478-Y499 WeakPolarHBondContact OH-CB 3.49Å; L497-Y499 PolarHBondContact O-N 2.89Å; Y499-T503 HydrophobicContact CD2-CG2 4.47Å; Y499-T503 HydrophobicContact CE2-CG2 4.09Å; Y499-A504 HydrophobicContact CD1-CB 4.33Å; Y499-A504 HydrophobicContact CD2-CB 4.34Å; Y499-A504 HydrophobicContact CE1-CB 3.79Å; Y499-A504 HydrophobicContact CE2-CB 3.78Å; Y499-Q507 PolarHBondContact OH-NE2 2.98Å; Y499-H511 PolarHBondContact OH-NE2 3.3Å; Y499-F514 HydrophobicContact CE1-CE2 4.28Å; Y499-F514 HydrophobicContact CE1-CZ 4.3Å; Y499-P624 HydrophobicContact CD1-CB 4.43Å; Y499-P624 HydrophobicContact CE1-CB 4.34Å; Y499-P624 HydrophobicContact CE1-CG 4.35Å; Y499-I626 HydrophobicContact CD1-CG1 4.27Å; Y499-I626 WeakPolarHBondContact O-CA 3.4Å; Y499-W627 VanDerWaalsContact O-CD1 3.3Å; Y499-W627 PolarHBondContact O-N 2.68Å
500	S	98.3	Very high	97.5	Very high	5 Å²	5	31 Å²	31	4%	0.035	16%	0.163	C	C	.	.			trans	-85.9	153	-173.8	73.4	0	0	0	0	112.1	Q502 T503 A504 N628	S500-Q502 VanDerWaalsContact C-N 3.26Å; S500-Q502 PolarHBondContact O-N 3.29Å; S500-T503 PolarHBondContact O-N 2.96Å; S500-T503 WeakPolarHBondContact OG-CB 3.46Å; S500-T503 PolarHBondContact OG-N 2.87Å; S500-T503 PolarHBondContact OG-OG1 2.87Å; S500-T503 VanDerWaalsContact OG-OG1 3.06Å; S500-A504 VanDerWaalsContact O-CB 3.32Å; S500-A504 WeakPolarHBondContact O-CB 3.49Å; S500-A504 PolarHBondContact O-N 2.87Å; S500-N628 WeakPolarHBondContact CA-OD1 3.41Å
501	I	98.2	Very high	97.4	Very high	36 Å²	36	32.7 Å²	32.7	19%	0.185	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-36.3	175.8	-171.2	60.9	0	0	0	111.9	T503 A504 Q505 I626 N628 I629	I501-T503 VanDerWaalsContact C-N 3.34Å; I501-T503 PolarHBondContact O-N 3.38Å; I501-A504 PolarHBondContact O-N 3.06Å; I501-Q505 HydrophobicContact CD1-CG 3.89Å; I501-Q505 HydrophobicContact CG1-CG 4.09Å; I501-Q505 WeakPolarHBondContact O-CB 3.39Å; I501-Q505 VanDerWaalsContact O-CG 3.28Å; I501-Q505 WeakPolarHBondContact O-CG 3.49Å; I501-Q505 PolarHBondContact O-N 2.7Å; I501-I626 HydrophobicContact CB-CG2 3.78Å; I501-I626 HydrophobicContact CD1-CD1 3.95Å; I501-I626 HydrophobicContact CD1-CG2 4.34Å; I501-N628 PolarHBondContact N-OD1 3.26Å; I501-I629 HydrophobicContact CB-CG2 3.72Å; I501-I629 HydrophobicContact CD1-CG2 4.28Å; I501-I629 HydrophobicContact CG1-CG2 3.88Å; I501-I629 HydrophobicContact CG2-CG2 3.95Å
502	Q	97.9	Very high	97.4	Very high	91 Å²	91	37.2 Å²	37.2	43%	0.425	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-41.7	177	-64.7	77.1	12.1	0	0	111.6	S500 K506 N628	S500-Q502 VanDerWaalsContact C-N 3.26Å; S500-Q502 PolarHBondContact O-N 3.29Å; Q502-K506 WeakPolarHBondContact O-CG 3.28Å; Q502-N628 PolarHBondContact OE1-ND2 2.6Å
503	T	98	Very high	97.4	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-74.9	-43.3	174.4	-56.3	0	0	0	0	111.2	Y499 S500 I501 Q505 K506 Q507	Y499-T503 HydrophobicContact CD2-CG2 4.47Å; Y499-T503 HydrophobicContact CE2-CG2 4.09Å; S500-T503 PolarHBondContact O-N 2.96Å; S500-T503 WeakPolarHBondContact OG-CB 3.46Å; S500-T503 PolarHBondContact OG-N 2.87Å; S500-T503 PolarHBondContact OG-OG1 2.87Å; S500-T503 VanDerWaalsContact OG-OG1 3.06Å; I501-T503 VanDerWaalsContact C-N 3.34Å; I501-T503 PolarHBondContact O-N 3.38Å; T503-Q505 PolarHBondContact O-N 2.81Å; T503-K506 PolarHBondContact O-N 3.33Å; T503-Q507 WeakPolarHBondContact O-CG 3.46Å
504	A	98	Very high	97.5	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-38.7	-176.1	0	0	0	0	0	113.5	Y499 S500 I501 K506 Q507 I508 I626	Y499-A504 HydrophobicContact CD1-CB 4.33Å; Y499-A504 HydrophobicContact CD2-CB 4.34Å; Y499-A504 HydrophobicContact CE1-CB 3.79Å; Y499-A504 HydrophobicContact CE2-CB 3.78Å; S500-A504 VanDerWaalsContact O-CB 3.32Å; S500-A504 WeakPolarHBondContact O-CB 3.49Å; S500-A504 PolarHBondContact O-N 2.87Å; I501-A504 PolarHBondContact O-N 3.06Å; A504-K506 VanDerWaalsContact C-N 3.31Å; A504-K506 PolarHBondContact O-N 3.48Å; A504-Q507 CarbonylContact O-C 3.48Å; A504-Q507 PolarHBondContact O-N 3.33Å; A504-I508 PolarHBondContact O-N 3.16Å; A504-I626 HydrophobicContact CB-CD1 3.81Å; A504-I626 HydrophobicContact CB-CG1 4.41Å
505	Q	97.3	Very high	97.5	Very high	124 Å²	124	38.9 Å²	38.9	58%	0.579	21%	0.208	S	C	*	.	H	α-helix	trans	-64.9	-32	178.1	-76.1	173.8	-23	0	0	113	I501 T503 Q507	I501-Q505 HydrophobicContact CD1-CG 3.89Å; I501-Q505 HydrophobicContact CG1-CG 4.09Å; I501-Q505 WeakPolarHBondContact O-CB 3.39Å; I501-Q505 VanDerWaalsContact O-CG 3.28Å; I501-Q505 WeakPolarHBondContact O-CG 3.49Å; I501-Q505 PolarHBondContact O-N 2.7Å; T503-Q505 PolarHBondContact O-N 2.81Å; Q505-Q507 VanDerWaalsContact C-N 3.25Å; Q505-Q507 PolarHBondContact O-N 3.04Å
506	K	97.1	Very high	97.7	Very high	72 Å²	72	39.2 Å²	39.2	31%	0.313	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.1	178.1	-64.7	-179.8	-174.8	-176.4	0	113.6	D44 Q502 T503 A504	D44-K506 IonicContact OD1-NZ 2.73Å; D44-K506 PolarHBondContact OD1-NZ 2.88Å; D44-K506 IonicContact OD2-NZ 3.42Å; D44-K506 PolarHBondContact OD2-NZ 3.13Å; Q502-K506 WeakPolarHBondContact O-CG 3.28Å; T503-K506 PolarHBondContact O-N 3.33Å; A504-K506 VanDerWaalsContact C-N 3.31Å; A504-K506 PolarHBondContact O-N 3.48Å
507	Q	97.6	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.4	40.8	-172.5	68.5	-165.7	21	0	0	114.3	I441 G442 Y499 T503 A504 Q505 W509 L510	I441-Q507 VanDerWaalsContact CG2-NE2 3.31Å; G442-Q507 PolarHBondContact O-NE2 2.78Å; G442-Q507 PolarHBondContact O-OE1 3.5Å; Y499-Q507 PolarHBondContact OH-NE2 2.98Å; T503-Q507 WeakPolarHBondContact O-CG 3.46Å; A504-Q507 CarbonylContact O-C 3.48Å; A504-Q507 PolarHBondContact O-N 3.33Å; Q505-Q507 VanDerWaalsContact C-N 3.25Å; Q505-Q507 PolarHBondContact O-N 3.04Å; Q507-W509 HydrophobicContact CB-CZ2 4.43Å; Q507-W509 PolarHBondContact O-N 2.91Å; Q507-L510 HydrophobicContact CG-CB 4.49Å; Q507-L510 HydrophobicContact CG-CD2 4.36Å; Q507-L510 WeakPolarHBondContact O-CB 3.46Å; Q507-L510 PolarHBondContact O-N 2.91Å
508	I	96.9	Very high	97.8	Very high	111 Å²	111	39.7 Å²	39.7	57%	0.569	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-53.8	-30.2	178.7	-61.7	170.3	0	0	0	112.3	A504 L510 H511	A504-I508 PolarHBondContact O-N 3.16Å; I508-L510 PolarHBondContact O-N 3.01Å; I508-H511 WeakPolarHBondContact O-CB 3.37Å; I508-H511 PolarHBondContact O-N 2.79Å
509	W	97	Very high	97.8	Very high	56 Å²	56	37.1 Å²	37.1	21%	0.212	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-50.1	-32.9	173.5	65.2	-101.2	0	0	0	113.4	M444 G445 M446 K448 L452 Q507 H511 S512 Y513	M444-W509 HydrophobicContact CB-CZ2 4.3Å; G445-W509 PolarHBondContact O-NE1 2.83Å; M446-W509 PolarHBondContact O-NE1 2.79Å; K448-W509 HydrophobicContact CB-CE3 3.85Å; K448-W509 HydrophobicContact CB-CH2 4.07Å; K448-W509 HydrophobicContact CB-CZ3 3.6Å; L452-W509 HydrophobicContact CB-CH2 4.05Å; L452-W509 HydrophobicContact CD2-CH2 3.93Å; L452-W509 HydrophobicContact CD2-CZ3 3.85Å; Q507-W509 HydrophobicContact CB-CZ2 4.43Å; Q507-W509 PolarHBondContact O-N 2.91Å; W509-H511 VanDerWaalsContact C-N 3.27Å; W509-H511 PolarHBondContact O-N 3.35Å; W509-S512 PolarHBondContact O-OG 2.77Å; W509-Y513 HydrophobicContact CE3-CE2 4.21Å; W509-Y513 HydrophobicContact CZ3-CE2 4.16Å
510	L	97.5	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.8	-178.7	-179.1	70.9	0	0	0	112.3	I441 M444 L452 L476 Q507 I508 S512 Y513 F514	I441-L510 HydrophobicContact CG2-CD2 3.79Å; M444-L510 HydrophobicContact CE-CD1 3.53Å; M444-L510 HydrophobicContact CE-CD2 3.3Å; M444-L510 HydrophobicContact CE-CG 4.01Å; L452-L510 HydrophobicContact CD2-CD1 4.07Å; L476-L510 HydrophobicContact CD1-CD1 3.62Å; Q507-L510 HydrophobicContact CG-CB 4.49Å; Q507-L510 HydrophobicContact CG-CD2 4.36Å; Q507-L510 WeakPolarHBondContact O-CB 3.46Å; Q507-L510 PolarHBondContact O-N 2.91Å; I508-L510 PolarHBondContact O-N 3.01Å; L510-S512 PolarHBondContact O-N 2.9Å; L510-S512 VanDerWaalsContact O-N 3.13Å; L510-Y513 WeakPolarHBondContact O-CB 3.32Å; L510-Y513 PolarHBondContact O-N 3.32Å; L510-F514 HydrophobicContact CD1-CE1 4.5Å; L510-F514 HydrophobicContact CD2-CE1 3.91Å; L510-F514 HydrophobicContact CD2-CZ 3.66Å; L510-F514 HydrophobicContact CG-CE1 3.75Å; L510-F514 HydrophobicContact CG-CZ 3.81Å
511	H	96.6	Very high	97.3	Very high	37 Å²	37	48.5 Å²	48.5	17%	0.171	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.2	-21.8	-169.9	-55.4	-177.5	0	0	0	111.6	Y499 I508 W509 Y513 F514	Y499-H511 PolarHBondContact OH-NE2 3.3Å; I508-H511 WeakPolarHBondContact O-CB 3.37Å; I508-H511 PolarHBondContact O-N 2.79Å; W509-H511 VanDerWaalsContact C-N 3.27Å; W509-H511 PolarHBondContact O-N 3.35Å; H511-Y513 PolarHBondContact O-N 2.73Å; H511-F514 HydrophobicContact CB-CD2 3.99Å; H511-F514 HydrophobicContact CB-CE2 4.09Å; H511-F514 AromaticContact CD2-CE2 3.64Å; H511-F514 AromaticContact CG-CE2 3.89Å; H511-F514 WeakPolarHBondContact O-CB 3.27Å; H511-F514 PolarHBondContact O-N 2.91Å; H511-F514 VanDerWaalsContact O-N 3.11Å
512	S	96.2	Very high	97.1	Very high	101 Å²	101	46.8 Å²	46.8	71%	0.706	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-61.4	-19.7	171.4	65.1	0	0	0	0	114.6	W509 L510	W509-S512 PolarHBondContact O-OG 2.77Å; L510-S512 PolarHBondContact O-N 2.9Å; L510-S512 VanDerWaalsContact O-N 3.13Å
513	Y	97.8	Very high	97	Very high	45 Å²	45	43.2 Å²	43.2	18%	0.176	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-89.8	-4.6	176.7	-69	-97.7	0	0	0	113.2	K448 I474 L476 W509 L510 H511 H515	K448-Y513 VanDerWaalsContact CD-OH 3.27Å; K448-Y513 WeakPolarHBondContact CD-OH 3.32Å; I474-Y513 HydrophobicContact CB-CD1 4.05Å; I474-Y513 HydrophobicContact CB-CE1 4.2Å; I474-Y513 HydrophobicContact CG2-CD1 4.35Å; L476-Y513 HydrophobicContact CD1-CG 4.37Å; L476-Y513 PolarHBondContact N-O 2.98Å; W509-Y513 HydrophobicContact CE3-CE2 4.21Å; W509-Y513 HydrophobicContact CZ3-CE2 4.16Å; L510-Y513 WeakPolarHBondContact O-CB 3.32Å; L510-Y513 PolarHBondContact O-N 3.32Å; H511-Y513 PolarHBondContact O-N 2.73Å; Y513-H515 PolarHBondContact O-CE1 3.37Å; Y513-H515 PolarHBondContact O-ND1 2.96Å
514	F	98.6	Very high	97	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.2	-168	-68.4	-18.5	0	0	0	115	I441 L476 Y499 L510 H511 Y618 P624	I441-F514 HydrophobicContact CD1-CE1 4.18Å; I441-F514 HydrophobicContact CD1-CE2 4.45Å; I441-F514 HydrophobicContact CD1-CZ 3.64Å; L476-F514 HydrophobicContact CB-CD1 4Å; L476-F514 HydrophobicContact CB-CE1 4.43Å; L476-F514 HydrophobicContact CD1-CE1 4.41Å; L476-F514 CarbonylContact O-C 3.57Å; L476-F514 WeakPolarHBondContact O-CA 3.31Å; Y499-F514 HydrophobicContact CE1-CE2 4.28Å; Y499-F514 HydrophobicContact CE1-CZ 4.3Å; L510-F514 HydrophobicContact CD1-CE1 4.5Å; L510-F514 HydrophobicContact CD2-CE1 3.91Å; L510-F514 HydrophobicContact CD2-CZ 3.66Å; L510-F514 HydrophobicContact CG-CE1 3.75Å; L510-F514 HydrophobicContact CG-CZ 3.81Å; H511-F514 HydrophobicContact CB-CD2 3.99Å; H511-F514 HydrophobicContact CB-CE2 4.09Å; H511-F514 AromaticContact CD2-CE2 3.64Å; H511-F514 AromaticContact CG-CE2 3.89Å; H511-F514 WeakPolarHBondContact O-CB 3.27Å; H511-F514 PolarHBondContact O-N 2.91Å; H511-F514 VanDerWaalsContact O-N 3.11Å; F514-Y618 HydrophobicContact CB-CD1 3.92Å; F514-Y618 HydrophobicContact CB-CD2 3.84Å; F514-Y618 HydrophobicContact CB-CE1 3.78Å; F514-Y618 HydrophobicContact CB-CE2 3.68Å; F514-Y618 HydrophobicContact CB-CG 3.95Å; F514-Y618 AromaticContact CD2-CE2 3.89Å; F514-Y618 HydrophobicContact CD2-CE2 3.89Å; F514-Y618 HydrophobicContact CG-CE2 4.28Å; F514-Y618 WeakPolarHBondContact O-CD1 3.4Å; F514-Y618 PolarHBondContact O-N 2.81Å; F514-P624 HydrophobicContact CD2-CB 3.87Å; F514-P624 HydrophobicContact CD2-CG 4.28Å; F514-P624 HydrophobicContact CE2-CB 3.65Å; F514-P624 HydrophobicContact CE2-CG 3.98Å
515	H	98.8	Very high	97	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.06	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.8	-178.7	-67.1	67.3	0	0	0	109.5	H475 L476 L477 Y478 Y513 P615 T616 S617 Y618	H475-H515 AromaticContact CD2-CE1 3.6Å; H475-H515 AromaticContact CD2-NE2 3.64Å; H475-H515 AromaticContact CG-CE1 3.95Å; H475-H515 AromaticContact CG-NE2 3.92Å; L476-H515 PolarHBondContact O-N 2.94Å; L477-H515 WeakPolarHBondContact CA-O 3.38Å; L477-H515 HydrophobicContact CD1-CB 4.14Å; L477-H515 HydrophobicContact CG-CB 4.05Å; Y478-H515 PolarHBondContact N-O 3.37Å; Y513-H515 PolarHBondContact O-CE1 3.37Å; Y513-H515 PolarHBondContact O-ND1 2.96Å; H515-P615 HydrophobicContact CB-CB 3.91Å; H515-T616 CarbonylContact C-O 3.58Å; H515-T616 VanDerWaalsContact CA-O 3.26Å; H515-T616 WeakPolarHBondContact CA-O 3.26Å; H515-T616 WeakPolarHBondContact CB-O 3.34Å; H515-S617 WeakPolarHBondContact CD2-CA 3.18Å; H515-S617 PolarHBondContact CD2-N 3.07Å; H515-S617 VanDerWaalsContact CD2-N 3.34Å; H515-S617 PolarHBondContact CD2-OG 2.99Å; H515-S617 PolarHBondContact NE2-OG 3.44Å; H515-Y618 VanDerWaalsContact C-CE1 3.49Å
516	R	98.5	Very high	97	Very high	36 Å²	36	41.8 Å²	41.8	14%	0.136	20%	0.196	C	C	.	.			trans	-60.5	148.5	-176	-65.8	-72	-59.8	-117.2	4.5	111.2	S480 D483 K518 T616 Y618 D622	S480-R516 WeakPolarHBondContact OG-CD 3.39Å; S480-R516 PolarHBondContact OG-NE 2.95Å; S480-R516 PolarHBondContact OG-NH2 3.33Å; D483-R516 VanDerWaalsContact CG-NE 3.25Å; D483-R516 IonicContact OD1-CZ 3.41Å; D483-R516 VanDerWaalsContact OD1-CZ 3.24Å; D483-R516 IonicContact OD1-NE 3.45Å; D483-R516 PolarHBondContact OD1-NE 3.42Å; D483-R516 IonicContact OD1-NH2 2.66Å; D483-R516 PolarHBondContact OD1-NH2 3.46Å; D483-R516 IonicContact OD2-CZ 2.72Å; D483-R516 IonicContact OD2-NE 2.89Å; D483-R516 PolarHBondContact OD2-NE 3.46Å; D483-R516 IonicContact OD2-NH2 3.25Å; R516-K518 HydrophobicContact CB-CG 4.09Å; R516-K518 PolarHBondContact O-N 3.29Å; R516-T616 PolarHBondContact N-O 2.89Å; R516-Y618 HydrophobicContact CG-CD1 4.07Å; R516-Y618 HydrophobicContact CG-CE1 4.47Å; R516-D622 IonicContact CZ-OD1 2.9Å; R516-D622 IonicContact NE-OD1 2.74Å; R516-D622 IonicContact NH1-OD1 3.09Å; R516-D622 PolarHBondContact NH1-OD1 2.88Å; R516-D622 IonicContact NH1-OD2 3.64Å; R516-D622 PolarHBondContact NH1-OD2 3.4Å
517	W	98.6	Very high	97.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	18%	0.181	C	C	.	.			trans	-72.5	113.8	165.9	176	-109.2	0	0	0	109.9	T332 Q437 P479 D483 A519 R524 T525 A527 M528 P529 F611	T332-W517 HydrophobicContact CG2-CH2 3.96Å; T332-W517 HydrophobicContact CG2-CZ2 3.96Å; Q437-W517 HydrophobicContact CG-CZ3 4.28Å; P479-W517 HydrophobicContact CG-CB 4.36Å; D483-W517 HydrophobicContact CB-CB 4.42Å; D483-W517 PolarHBondContact OD2-N 3.16Å; W517-A519 HydrophobicContact CH2-CB 4.2Å; W517-A519 HydrophobicContact CZ2-CB 3.69Å; W517-R524 PolarHBondContact NE1-O 3.05Å; W517-T525 PolarHBondContact NE1-O 3.36Å; W517-A527 PolarHBondContact NE1-O 2.73Å; W517-M528 HydrophobicContact CG-CE 4.46Å; W517-P529 HydrophobicContact CD2-CB 4.05Å; W517-P529 HydrophobicContact CD2-CG 3.68Å; W517-P529 HydrophobicContact CE3-CB 3.8Å; W517-P529 HydrophobicContact CE3-CG 3.66Å; W517-P529 HydrophobicContact CG-CG 4.07Å; W517-P529 HydrophobicContact CH2-CB 3.92Å; W517-P529 HydrophobicContact CZ2-CB 4.15Å; W517-P529 HydrophobicContact CZ3-CB 3.72Å; W517-P529 HydrophobicContact CZ3-CG 4.14Å; W517-F611 HydrophobicContact CE3-CB 4.47Å; W517-F611 HydrophobicContact CH2-CB 4.02Å; W517-F611 HydrophobicContact CH2-CD1 4.13Å; W517-F611 HydrophobicContact CZ3-CB 3.82Å; W517-F611 AromaticContact CZ3-CD1 3.62Å; W517-F611 HydrophobicContact CZ3-CD1 3.62Å; W517-F611 HydrophobicContact CZ3-CG 4.06Å
518	K	98.3	Very high	97.2	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.17	18%	0.181	C	C	.	.			trans	-139.5	121.9	177.9	-63.9	-72.5	155.3	-98.1	0	108.7	D483 R516 T525 F611 D612	D483-K518 IonicContact OD1-NZ 3.85Å; D483-K518 PolarHBondContact OD1-NZ 3.45Å; R516-K518 HydrophobicContact CB-CG 4.09Å; R516-K518 PolarHBondContact O-N 3.29Å; K518-T525 HydrophobicContact CD-CG2 4.13Å; K518-F611 WeakPolarHBondContact O-CB 3.42Å; K518-D612 HydrophobicContact CB-CB 4.39Å; K518-D612 WeakPolarHBondContact O-CB 3.15Å; K518-D612 PolarHBondContact O-N 2.92Å
519	A	97.3	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.			trans	-147.1	51.9	-173	0	0	0	0	0	109.4	W517 R521 T522 G523 R524 T525 F611	W517-A519 HydrophobicContact CH2-CB 4.2Å; W517-A519 HydrophobicContact CZ2-CB 3.69Å; A519-R521 VanDerWaalsContact C-N 3.3Å; A519-R521 PolarHBondContact O-N 3.28Å; A519-T522 PolarHBondContact O-OG1 2.94Å; A519-G523 CarbonylContact O-C 3.59Å; A519-G523 PolarHBondContact O-N 2.91Å; A519-R524 HydrophobicContact CB-CB 4.09Å; A519-R524 PolarHBondContact O-N 3.08Å; A519-T525 PolarHBondContact N-OG1 2.87Å; A519-T525 PolarHBondContact O-N 2.95Å; A519-F611 HydrophobicContact CB-CB 4.01Å
520	R	95.5	Very high	97.3	Very high	160 Å²	160	31.1 Å²	31.1	60%	0.604	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-37.1	-178.4	-72.7	164.4	-71	-160	-6.2	110.9	T522 G523 T525 D612	R520-T522 VanDerWaalsContact C-N 3.29Å; R520-T522 PolarHBondContact O-N 3.49Å; R520-G523 PolarHBondContact O-N 3.08Å; R520-T525 PolarHBondContact N-OG1 3.38Å; R520-T525 VanDerWaalsContact N-OG1 3.12Å; R520-D612 IonicContact CZ-OD2 3.96Å; R520-D612 VanDerWaalsContact CZ-OD2 3.25Å; R520-D612 VanDerWaalsContact N-CG 3.32Å; R520-D612 PolarHBondContact N-OD1 2.85Å; R520-D612 PolarHBondContact N-OD2 3.32Å; R520-D612 VanDerWaalsContact N-OD2 3.12Å; R520-D612 IonicContact NE-OD2 3.8Å; R520-D612 PolarHBondContact NE-OD2 2.93Å; R520-D612 IonicContact NH2-OD2 3.07Å; R520-D612 PolarHBondContact NH2-OD2 2.84Å
521	R	91.5	Very high	97.4	Very high	83 Å²	83	31.1 Å²	31.1	31%	0.313	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.1	-177.2	-61.8	174	67.6	-147.2	-10.1	113	A519 D593 T594 D612	A519-R521 VanDerWaalsContact C-N 3.3Å; A519-R521 PolarHBondContact O-N 3.28Å; R521-D593 PolarHBondContact NH2-O 2.81Å; R521-T594 VanDerWaalsContact NH2-C 3.27Å; R521-T594 VanDerWaalsContact NH2-CB 3.26Å; R521-T594 PolarHBondContact NH2-O 3.1Å; R521-D612 WeakPolarHBondContact CG-OD1 3.43Å; R521-D612 PolarHBondContact N-OD1 3.34Å; R521-D612 VanDerWaalsContact N-OD1 3.1Å
522	T	93.3	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.4	173.9	50.2	0	0	0	0	113.1	L207 A519 R520 R524 P596 F597 P610	L207-T522 HydrophobicContact CD1-CG2 4.15Å; A519-T522 PolarHBondContact O-OG1 2.94Å; R520-T522 VanDerWaalsContact C-N 3.29Å; R520-T522 PolarHBondContact O-N 3.49Å; T522-R524 WeakPolarHBondContact O-CG 3.1Å; T522-R524 PolarHBondContact O-N 3.08Å; T522-R524 VanDerWaalsContact O-N 3.15Å; T522-R524 PolarHBondContact O-NH1 3.43Å; T522-P596 HydrophobicContact CG2-CB 4.46Å; T522-P596 HydrophobicContact CG2-CG 3.62Å; T522-F597 HydrophobicContact CG2-CE2 3.91Å; T522-P610 WeakPolarHBondContact CG2-O 3.37Å; T522-P610 PolarHBondContact OG1-O 2.78Å
523	G	96	Very high	97.6	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	3	-176.1	0	0	0	0	0	115.4	L213 A519 R520	L213-G523 WeakPolarHBondContact CD2-O 3.37Å; A519-G523 CarbonylContact O-C 3.59Å; A519-G523 PolarHBondContact O-N 2.91Å; R520-G523 PolarHBondContact O-N 3.08Å
524	R	98.1	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.097	C	C	.	.			trans	-99.7	11.1	-163.4	-82	168.8	179.4	74.8	-5	115	N208 V210 L213 F217 T332 W517 A519 T522 H526 A527	N208-R524 PolarHBondContact O-NH2 3.4Å; V210-R524 HydrophobicContact CG2-CG 4.38Å; L213-R524 HydrophobicContact CD1-CG 3.81Å; F217-R524 VanDerWaalsContact O-CZ 3.32Å; F217-R524 PolarHBondContact O-NH1 3.19Å; F217-R524 PolarHBondContact O-NH2 3.2Å; T332-R524 WeakPolarHBondContact OG1-CB 3.47Å; W517-R524 PolarHBondContact NE1-O 3.05Å; A519-R524 HydrophobicContact CB-CB 4.09Å; A519-R524 PolarHBondContact O-N 3.08Å; T522-R524 WeakPolarHBondContact O-CG 3.1Å; T522-R524 PolarHBondContact O-N 3.08Å; T522-R524 VanDerWaalsContact O-N 3.15Å; T522-R524 PolarHBondContact O-NH1 3.43Å; R524-H526 PolarHBondContact O-N 3.26Å; R524-H526 VanDerWaalsContact O-N 3.08Å; R524-A527 HydrophobicContact CB-CB 4.2Å; R524-A527 HydrophobicContact CG-CB 4.14Å; R524-A527 PolarHBondContact O-N 3.4Å
525	T	98.4	Very high	97.7	Very high	16 Å²	16	22.3 Å²	22.3	10%	0.098	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-34	176	-60.7	0	0	0	0	113.6	W517 K518 A519 R520 M528	W517-T525 PolarHBondContact NE1-O 3.36Å; K518-T525 HydrophobicContact CD-CG2 4.13Å; A519-T525 PolarHBondContact N-OG1 2.87Å; A519-T525 PolarHBondContact O-N 2.95Å; R520-T525 PolarHBondContact N-OG1 3.38Å; R520-T525 VanDerWaalsContact N-OG1 3.12Å; T525-M528 WeakPolarHBondContact O-CE 3.48Å
526	H	98.4	Very high	97.7	Very high	86 Å²	86	21.7 Å²	21.7	40%	0.398	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.6	178.9	-59	-83.3	0	0	0	113.2	T486 S487 L488 R524	T486-H526 PolarHBondContact O-ND1 3.25Å; S487-H526 CarbonylContact C-O 3.57Å; S487-H526 VanDerWaalsContact CA-O 3.32Å; S487-H526 WeakPolarHBondContact CA-O 3.39Å; S487-H526 WeakPolarHBondContact CB-O 3.47Å; L488-H526 HydrophobicContact CD2-CB 4.37Å; L488-H526 HydrophobicContact CG-CB 3.99Å; L488-H526 PolarHBondContact N-O 3.44Å; R524-H526 PolarHBondContact O-N 3.26Å; R524-H526 VanDerWaalsContact O-N 3.08Å
527	A	98.5	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-97.6	97.8	176.7	0	0	0	0	0	109.3	V210 Q330 T332 L488 W517 R524	V210-A527 HydrophobicContact CG1-CB 3.83Å; Q330-A527 VanDerWaalsContact O-CA 3.24Å; Q330-A527 WeakPolarHBondContact O-CA 3.25Å; Q330-A527 WeakPolarHBondContact O-CB 3.32Å; T332-A527 WeakPolarHBondContact CB-O 3.46Å; T332-A527 PolarHBondContact OG1-O 3.35Å; L488-A527 HydrophobicContact CD1-CB 4.11Å; W517-A527 PolarHBondContact NE1-O 2.73Å; R524-A527 HydrophobicContact CB-CB 4.2Å; R524-A527 HydrophobicContact CG-CB 4.14Å; R524-A527 PolarHBondContact O-N 3.4Å
528	M	98.8	Very high	97.5	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	9%	0.087	C	C	.	.			trans	-59.9	141.8	-166.9	-75.6	-58.7	102.3	0	0	113.2	K331 T332 P479 D483 V484 A493 L497 W517 T525 H530	K331-M528 CarbonylContact C-O 3.55Å; K331-M528 WeakPolarHBondContact CA-O 3.43Å; K331-M528 WeakPolarHBondContact CB-O 3.46Å; T332-M528 PolarHBondContact N-O 2.96Å; P479-M528 HydrophobicContact CB-SD 3.91Å; P479-M528 HydrophobicContact CG-SD 4.07Å; D483-M528 HydrophobicContact CB-CE 4.13Å; D483-M528 HydrophobicContact CB-SD 4.12Å; D483-M528 WeakPolarHBondContact O-CE 3.33Å; V484-M528 HydrophobicContact CG2-SD 4.09Å; A493-M528 HydrophobicContact CB-CB 3.89Å; A493-M528 HydrophobicContact CB-CG 3.63Å; L497-M528 HydrophobicContact CD1-CB 4.47Å; L497-M528 HydrophobicContact CD1-CG 4.46Å; W517-M528 HydrophobicContact CG-CE 4.46Å; T525-M528 WeakPolarHBondContact O-CE 3.48Å; M528-H530 PolarHBondContact O-N 3.17Å
529	P	98.8	Very high	97.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-75.8	118.4	-173.5	30.7	-35	0	0	0	111.7	S439 P479 L497 W517 I531	S439-P529 WeakPolarHBondContact CB-O 3.33Å; P479-P529 HydrophobicContact CG-CG 3.58Å; L497-P529 WeakPolarHBondContact CD2-O 3.45Å; W517-P529 HydrophobicContact CD2-CB 4.05Å; W517-P529 HydrophobicContact CD2-CG 3.68Å; W517-P529 HydrophobicContact CE3-CB 3.8Å; W517-P529 HydrophobicContact CE3-CG 3.66Å; W517-P529 HydrophobicContact CG-CG 4.07Å; W517-P529 HydrophobicContact CH2-CB 3.92Å; W517-P529 HydrophobicContact CZ2-CB 4.15Å; W517-P529 HydrophobicContact CZ3-CB 3.72Å; W517-P529 HydrophobicContact CZ3-CG 4.14Å; P529-I531 HydrophobicContact CB-CG2 4.15Å
530	H	98.8	Very high	97.3	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.056	13%	0.128	C	C	.	.			trans	-110.3	-4.9	159.9	-173.2	-95.2	0	0	0	112	T320 N322 D327 K331 T332 Q333 S439 M528 K532	T320-H530 PolarHBondContact O-CE1 3.48Å; T320-H530 PolarHBondContact O-ND1 2.92Å; N322-H530 PolarHBondContact ND2-CE1 3.32Å; D327-H530 IonicContact OD2-CE1 3.7Å; D327-H530 PolarHBondContact OD2-CE1 3.41Å; D327-H530 IonicContact OD2-CG 2.64Å; D327-H530 IonicContact OD2-ND1 3.52Å; D327-H530 PolarHBondContact OD2-ND1 2.99Å; K331-H530 HydrophobicContact CB-CB 4.42Å; K331-H530 HydrophobicContact CD-CB 4.14Å; T332-H530 PolarHBondContact O-N 3.41Å; Q333-H530 PolarHBondContact NE2-ND1 3.35Å; Q333-H530 PolarHBondContact OE1-ND1 3.16Å; S439-H530 PolarHBondContact OG-CD2 2.74Å; M528-H530 PolarHBondContact O-N 3.17Å; H530-K532 PolarHBondContact CD2-NZ 3.46Å; H530-K532 PolarHBondContact CE1-NZ 3.45Å; H530-K532 PolarHBondContact NE2-NZ 3.14Å; H530-K532 WeakPolarHBondContact O-CD 3.34Å; H530-K532 WeakPolarHBondContact O-CE 3.37Å; H530-K532 PolarHBondContact O-NZ 3Å
531	I	98.8	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.			trans	-57.3	151.7	156	-164.6	178.1	0	0	0	111.5	F205 L207 T320 T332 Q437 P529 T533 V549 P610	F205-I531 HydrophobicContact CE2-CD1 4.37Å; F205-I531 HydrophobicContact CZ-CD1 3.89Å; L207-I531 HydrophobicContact CD2-CD1 4.28Å; T320-I531 HydrophobicContact CG2-CB 4.45Å; T320-I531 HydrophobicContact CG2-CG1 4.01Å; T320-I531 WeakPolarHBondContact OG1-CA 3.41Å; T332-I531 HydrophobicContact CG2-CG2 4.05Å; T332-I531 PolarHBondContact O-N 2.96Å; Q437-I531 PolarHBondContact NE2-O 3.36Å; Q437-I531 PolarHBondContact OE1-O 3.32Å; P529-I531 HydrophobicContact CB-CG2 4.15Å; I531-T533 HydrophobicContact CD1-CG2 3.57Å; I531-T533 HydrophobicContact CG1-CG2 3.79Å; I531-V549 HydrophobicContact CD1-CG2 4.29Å; I531-V549 HydrophobicContact CG1-CG2 4.11Å; I531-P610 HydrophobicContact CD1-CB 4.47Å; I531-P610 HydrophobicContact CD1-CG 4.1Å
532	K	98.9	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.			trans	-129.8	130.7	166.2	-54.2	81.1	-179.6	159.8	0	108	Q437 F438 S439 H530 T550 S551 A552 N553	Q437-K532 CarbonylContact O-C 3.36Å; Q437-K532 VanDerWaalsContact O-CA 3.28Å; Q437-K532 WeakPolarHBondContact O-CA 3.47Å; F438-K532 HydrophobicContact CB-CB 4.5Å; F438-K532 HydrophobicContact CB-CG 4.13Å; S439-K532 WeakPolarHBondContact OG-CE 3.38Å; S439-K532 PolarHBondContact OG-NZ 2.86Å; H530-K532 PolarHBondContact CD2-NZ 3.46Å; H530-K532 PolarHBondContact CE1-NZ 3.45Å; H530-K532 PolarHBondContact NE2-NZ 3.14Å; H530-K532 WeakPolarHBondContact O-CD 3.34Å; H530-K532 WeakPolarHBondContact O-CE 3.37Å; H530-K532 PolarHBondContact O-NZ 3Å; K532-T550 HydrophobicContact CB-CG2 4.39Å; K532-T550 WeakPolarHBondContact CB-O 3.22Å; K532-T550 PolarHBondContact O-N 2.58Å; K532-T550 VanDerWaalsContact O-N 3.15Å; K532-S551 WeakPolarHBondContact CD-O 3.28Å; K532-A552 WeakPolarHBondContact CB-O 3.15Å; K532-N553 VanDerWaalsContact CE-CG 3.49Å; K532-N553 VanDerWaalsContact CE-ND2 3.32Å; K532-N553 WeakPolarHBondContact CE-ND2 3.21Å; K532-N553 WeakPolarHBondContact CE-OD1 3.4Å; K532-N553 WeakPolarHBondContact CG-OD1 3.39Å
533	T	98.9	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.5	-179.3	69.7	0	0	0	0	111.8	Q437 I531 F547 L548 P610 F611	Q437-T533 PolarHBondContact N-O 3.35Å; Q437-T533 PolarHBondContact O-N 3.08Å; I531-T533 HydrophobicContact CD1-CG2 3.57Å; I531-T533 HydrophobicContact CG1-CG2 3.79Å; T533-F547 HydrophobicContact CG2-CE1 4.38Å; T533-F547 HydrophobicContact CG2-CE2 4.33Å; T533-F547 HydrophobicContact CG2-CZ 3.67Å; T533-L548 CarbonylContact C-O 3.4Å; T533-L548 WeakPolarHBondContact CA-O 3.21Å; T533-L548 WeakPolarHBondContact CB-O 3.38Å; T533-P610 HydrophobicContact CG2-CG 4.31Å; T533-F611 WeakPolarHBondContact OG1-CE1 3.35Å
534	Y	98.9	Very high	97.8	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.7	172	-61.8	-96.9	0	0	0	109.1	I435 F456 L460 W546 F547 L548 T550 L554 W559	I435-Y534 CarbonylContact O-C 3.55Å; I435-Y534 WeakPolarHBondContact O-CA 3.43Å; F456-Y534 AromaticContact CE1-CE1 3.96Å; F456-Y534 HydrophobicContact CE1-CE1 3.96Å; F456-Y534 HydrophobicContact CZ-CD1 4.36Å; F456-Y534 AromaticContact CZ-CE1 3.87Å; F456-Y534 HydrophobicContact CZ-CE1 3.87Å; L460-Y534 HydrophobicContact CD1-CD1 4.38Å; L460-Y534 HydrophobicContact CD2-CD1 4.25Å; Y534-W546 WeakPolarHBondContact O-CZ3 3.47Å; Y534-F547 CarbonylContact O-C 3.54Å; Y534-L548 HydrophobicContact CD2-CD2 4.25Å; Y534-L548 PolarHBondContact N-O 3.42Å; Y534-L548 PolarHBondContact O-N 3.1Å; Y534-T550 HydrophobicContact CD2-CG2 4.06Å; Y534-T550 HydrophobicContact CE2-CG2 4.01Å; Y534-L554 PolarHBondContact OH-N 2.77Å; Y534-W559 AromaticContact CD2-CZ2 3.85Å; Y534-W559 HydrophobicContact CD2-CZ2 3.85Å; Y534-W559 AromaticContact CE2-CZ2 3.62Å; Y534-W559 HydrophobicContact CE2-CZ2 3.62Å; Y534-W559 AromaticContact CE2-NE1 3.85Å; Y534-W559 HydrophobicContact CG-CZ2 4.48Å; Y534-W559 AromaticContact CZ-NE1 3.55Å; Y534-W559 PolarHBondContact OH-NE1 3.35Å; Y534-W559 VanDerWaalsContact OH-NE1 3.16Å
535	M	98.8	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.6	178.9	57.2	-178	168.2	0	0	112.4	I435 V537 L544 W546 F547 V609 F611 L613	I435-M535 HydrophobicContact CB-CE 4.05Å; I435-M535 HydrophobicContact CB-CG 4.01Å; I435-M535 HydrophobicContact CD1-CE 4.16Å; I435-M535 HydrophobicContact CG2-CE 3.88Å; I435-M535 PolarHBondContact N-O 2.77Å; I435-M535 PolarHBondContact O-N 3.22Å; M535-V537 HydrophobicContact CB-CG2 4.45Å; M535-V537 HydrophobicContact CE-CG2 4.21Å; M535-V537 HydrophobicContact CG-CG2 3.73Å; M535-V537 HydrophobicContact SD-CG2 3.82Å; M535-L544 HydrophobicContact CB-CD2 4.43Å; M535-L544 HydrophobicContact CG-CD2 4.46Å; M535-L544 HydrophobicContact SD-CD2 3.66Å; M535-W546 WeakPolarHBondContact CA-O 3.01Å; M535-W546 WeakPolarHBondContact CB-O 3.45Å; M535-F547 HydrophobicContact CB-CB 4.44Å; M535-F547 HydrophobicContact CB-CD2 3.88Å; M535-F547 HydrophobicContact CG-CD2 4.31Å; M535-F547 HydrophobicContact SD-CD2 3.74Å; M535-F547 HydrophobicContact SD-CE2 3.98Å; M535-V609 HydrophobicContact CE-CG1 3.88Å; M535-V609 HydrophobicContact SD-CG1 4.26Å; M535-V609 HydrophobicContact SD-CG2 4.34Å; M535-F611 HydrophobicContact CE-CE2 3.41Å; M535-F611 VanDerWaalsContact CE-CE2 3.41Å; M535-F611 HydrophobicContact CE-CZ 3.46Å; M535-F611 VanDerWaalsContact CE-CZ 3.46Å; M535-L613 HydrophobicContact CE-CD1 4.29Å; M535-L613 HydrophobicContact CE-CD2 3.95Å
536	R	97.6	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.7	172	-176.4	77.4	170.1	-80.9	2.1	108.3	E429 W432 T461 L544 A545 W546	E429-R536 PolarHBondContact O-NH2 2.78Å; W432-R536 HydrophobicContact CB-CG 4.27Å; W432-R536 WeakPolarHBondContact O-CD 3.42Å; W432-R536 PolarHBondContact O-NE 3.48Å; T461-R536 VanDerWaalsContact C-NH1 3.29Å; T461-R536 VanDerWaalsContact CA-NH1 3.34Å; T461-R536 PolarHBondContact O-NH1 3.11Å; R536-L544 WeakPolarHBondContact O-CA 3.37Å; R536-A545 HydrophobicContact CB-CB 4.14Å; R536-A545 HydrophobicContact CG-CB 4.12Å; R536-A545 PolarHBondContact O-N 2.88Å; R536-W546 HydrophobicContact CB-CD2 4.35Å; R536-W546 HydrophobicContact CB-CG 4.46Å; R536-W546 HydrophobicContact CB-CZ2 3.97Å; R536-W546 VanDerWaalsContact CB-NE1 3.32Å; R536-W546 PolarHBondContact N-O 3.41Å
537	V	97.4	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.4	-165.8	-171.8	0	0	0	0	110.4	W432 P433 I435 M535 Q543 L544 I592 L613	W432-V537 CarbonylContact C-O 3.5Å; W432-V537 WeakPolarHBondContact CA-O 3.45Å; W432-V537 WeakPolarHBondContact CB-O 3.36Å; P433-V537 WeakPolarHBondContact CD-O 3.33Å; P433-V537 HydrophobicContact CG-CB 4.43Å; P433-V537 PolarHBondContact O-N 2.96Å; I435-V537 HydrophobicContact CD1-CB 4.2Å; I435-V537 HydrophobicContact CD1-CG2 3.61Å; I435-V537 HydrophobicContact CG1-CG2 4.02Å; M535-V537 HydrophobicContact CB-CG2 4.45Å; M535-V537 HydrophobicContact CE-CG2 4.21Å; M535-V537 HydrophobicContact CG-CG2 3.73Å; M535-V537 HydrophobicContact SD-CG2 3.82Å; V537-Q543 CarbonylContact C-O 3.58Å; V537-Q543 WeakPolarHBondContact CA-O 3.49Å; V537-Q543 WeakPolarHBondContact CG1-O 3.15Å; V537-L544 HydrophobicContact CB-CD2 4.32Å; V537-L544 HydrophobicContact CG1-CD2 4.26Å; V537-L544 HydrophobicContact CG2-CD2 3.66Å; V537-I592 HydrophobicContact CG1-CD1 4.1Å; V537-L613 HydrophobicContact CG1-CD1 4.22Å
538	S	97	Very high	97.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	9%	0.094	C	C	.	.			trans	-68.6	157	174.3	62	0	0	0	0	112.6	W432 D540 S541 T542 Q543	W432-S538 VanDerWaalsContact CE3-N 3.34Å; S538-D540 WeakPolarHBondContact CB-OD1 3.47Å; S538-D540 PolarHBondContact O-N 2.64Å; S538-D540 PolarHBondContact OG-OD1 3.26Å; S538-S541 PolarHBondContact O-N 2.89Å; S538-T542 PolarHBondContact OG-N 3.21Å; S538-T542 VanDerWaalsContact OG-N 3.15Å; S538-Q543 PolarHBondContact N-O 3.18Å; S538-Q543 PolarHBondContact OG-N 3.06Å; S538-Q543 PolarHBondContact OG-O 2.96Å
539	P	95.9	Very high	97.8	Very high	76 Å²	76	16.4 Å²	16.4	49%	0.494	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.7	-176.9	-21.4	31.4	0	0	0	113.9	R431	R431-P539 HydrophobicContact CB-CB 4.39Å; R431-P539 HydrophobicContact CB-CG 3.73Å
540	D	95.6	Very high	97.8	Very high	98 Å²	98	16.6 Å²	16.6	52%	0.524	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.9	177.6	67.6	-22.5	0	0	0	113.7	S538 T542	S538-D540 WeakPolarHBondContact CB-OD1 3.47Å; S538-D540 PolarHBondContact O-N 2.64Å; S538-D540 PolarHBondContact OG-OD1 3.26Å; D540-T542 VanDerWaalsContact C-N 3.28Å; D540-T542 HydrophobicContact CB-CG2 4.36Å; D540-T542 PolarHBondContact O-N 3.23Å; D540-T542 PolarHBondContact OD1-N 2.79Å; D540-T542 PolarHBondContact OD1-OG1 3.15Å; D540-T542 VanDerWaalsContact OD1-OG1 3.08Å; D540-T542 WeakPolarHBondContact OD2-CB 3.23Å; D540-T542 WeakPolarHBondContact OD2-CG2 3.45Å; D540-T542 PolarHBondContact OD2-OG1 2.82Å
541	S	95.6	Very high	97.8	Very high	21 Å²	21	16 Å²	16	15%	0.147	9%	0.093	C	C	.	.	S	Bend	trans	59	28.9	-176.5	-60.7	0	0	0	0	115.7	S538 I592	S538-S541 PolarHBondContact O-N 2.89Å; S541-I592 WeakPolarHBondContact O-CD1 3.41Å
542	T	95.6	Very high	97.8	Very high	64 Å²	64	16.1 Å²	16.1	39%	0.393	9%	0.093	S	C	.	.	S	Bend	trans	-98.6	-18.1	176	66.3	0	0	0	0	114.7	S538 D540 I592	S538-T542 PolarHBondContact OG-N 3.21Å; S538-T542 VanDerWaalsContact OG-N 3.15Å; D540-T542 VanDerWaalsContact C-N 3.28Å; D540-T542 HydrophobicContact CB-CG2 4.36Å; D540-T542 PolarHBondContact O-N 3.23Å; D540-T542 PolarHBondContact OD1-N 2.79Å; D540-T542 PolarHBondContact OD1-OG1 3.15Å; D540-T542 VanDerWaalsContact OD1-OG1 3.08Å; D540-T542 WeakPolarHBondContact OD2-CB 3.23Å; D540-T542 WeakPolarHBondContact OD2-CG2 3.45Å; D540-T542 PolarHBondContact OD2-OG1 2.82Å; T542-I592 PolarHBondContact O-N 3.08Å
543	Q	96.8	Very high	97.8	Very high	65 Å²	65	16.8 Å²	16.8	30%	0.304	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.9	-172.6	-70.5	168.5	78.4	0	0	113.7	W432 V537 S538 T589 F590	W432-Q543 HydrophobicContact CH2-CB 4.09Å; W432-Q543 HydrophobicContact CZ3-CB 4.4Å; V537-Q543 CarbonylContact C-O 3.58Å; V537-Q543 WeakPolarHBondContact CA-O 3.49Å; V537-Q543 WeakPolarHBondContact CG1-O 3.15Å; S538-Q543 PolarHBondContact N-O 3.18Å; S538-Q543 PolarHBondContact OG-N 3.06Å; S538-Q543 PolarHBondContact OG-O 2.96Å; Q543-T589 PolarHBondContact OE1-OG1 3.37Å; Q543-F590 CarbonylContact C-O 3.59Å; Q543-F590 WeakPolarHBondContact CA-O 3.35Å
544	L	97.2	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	172.8	-51.3	174	0	0	0	110.6	M535 R536 V537 F547 T589 F590 I592 F607 V609	M535-L544 HydrophobicContact CB-CD2 4.43Å; M535-L544 HydrophobicContact CG-CD2 4.46Å; M535-L544 HydrophobicContact SD-CD2 3.66Å; R536-L544 WeakPolarHBondContact O-CA 3.37Å; V537-L544 HydrophobicContact CB-CD2 4.32Å; V537-L544 HydrophobicContact CG1-CD2 4.26Å; V537-L544 HydrophobicContact CG2-CD2 3.66Å; L544-F547 HydrophobicContact CD1-CB 4.16Å; L544-F547 HydrophobicContact CD1-CD2 4.22Å; L544-T589 CarbonylContact O-C 3.36Å; L544-T589 WeakPolarHBondContact O-CA 3.39Å; L544-T589 WeakPolarHBondContact O-CB 3.11Å; L544-F590 HydrophobicContact CB-CB 4.25Å; L544-F590 HydrophobicContact CB-CD2 4.28Å; L544-F590 PolarHBondContact N-O 2.72Å; L544-F590 PolarHBondContact O-N 2.65Å; L544-I592 HydrophobicContact CD1-CG1 4.27Å; L544-I592 HydrophobicContact CD2-CD1 3.7Å; L544-I592 HydrophobicContact CD2-CG1 3.96Å; L544-I592 HydrophobicContact CG-CD1 4.01Å; L544-I592 HydrophobicContact CG-CG1 3.71Å; L544-F607 HydrophobicContact CD1-CB 3.94Å; L544-F607 HydrophobicContact CD1-CD1 3.8Å; L544-F607 HydrophobicContact CD1-CG 3.95Å; L544-V609 HydrophobicContact CD1-CG2 3.89Å; L544-V609 HydrophobicContact CD2-CG2 4.35Å
545	A	97.4	Very high	97.8	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-27.3	168.1	0	0	0	0	0	112.1	I426 W432 L463 R536 P582	I426-A545 HydrophobicContact CD1-CB 3.5Å; W432-A545 HydrophobicContact CE3-CB 4.1Å; W432-A545 HydrophobicContact CZ3-CB 4.07Å; L463-A545 HydrophobicContact CD1-CB 4.45Å; L463-A545 HydrophobicContact CD2-CB 3.93Å; R536-A545 HydrophobicContact CB-CB 4.14Å; R536-A545 HydrophobicContact CG-CB 4.12Å; R536-A545 PolarHBondContact O-N 2.88Å; A545-P582 WeakPolarHBondContact O-CD 3.41Å; A545-P582 WeakPolarHBondContact O-CG 3.15Å
546	W	98.5	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	161.5	172.1	54.7	-93.7	0	0	0	110	L419 T423 L460 Y534 M535 R536 L548 L579 Y580	L419-W546 HydrophobicContact CD1-CD2 4.47Å; L419-W546 HydrophobicContact CD1-CZ2 4.13Å; L419-W546 HydrophobicContact CD2-CB 4.05Å; L419-W546 VanDerWaalsContact CD2-CD1 3.41Å; L419-W546 HydrophobicContact CD2-CD2 3.74Å; L419-W546 HydrophobicContact CD2-CE3 4.5Å; L419-W546 HydrophobicContact CD2-CG 3.47Å; L419-W546 VanDerWaalsContact CD2-CG 3.47Å; T423-W546 HydrophobicContact CG2-CB 4.49Å; L460-W546 HydrophobicContact CB-CZ2 4.47Å; L460-W546 HydrophobicContact CD2-CH2 3.94Å; L460-W546 WeakPolarHBondContact O-CZ2 3.45Å; Y534-W546 WeakPolarHBondContact O-CZ3 3.47Å; M535-W546 WeakPolarHBondContact CA-O 3.01Å; M535-W546 WeakPolarHBondContact CB-O 3.45Å; R536-W546 HydrophobicContact CB-CD2 4.35Å; R536-W546 HydrophobicContact CB-CG 4.46Å; R536-W546 HydrophobicContact CB-CZ2 3.97Å; R536-W546 VanDerWaalsContact CB-NE1 3.32Å; R536-W546 PolarHBondContact N-O 3.41Å; W546-L548 HydrophobicContact CZ3-CB 4.26Å; W546-L579 HydrophobicContact CB-CD1 4.3Å; W546-L579 HydrophobicContact CD2-CD1 4.33Å; W546-L579 HydrophobicContact CE3-CD1 3.71Å; W546-L579 HydrophobicContact CZ3-CD1 4.46Å; W546-Y580 WeakPolarHBondContact CA-O 3.45Å; W546-Y580 WeakPolarHBondContact CB-O 3.41Å
547	F	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.5	175.4	-177.1	-87	0	0	0	110.7	F205 T533 Y534 M535 L544 V549 Y580 F607	F205-F547 HydrophobicContact CE1-CE1 4.42Å; F205-F547 HydrophobicContact CE1-CZ 4.3Å; F205-F547 HydrophobicContact CZ-CE1 4.34Å; F205-F547 HydrophobicContact CZ-CZ 4.28Å; T533-F547 HydrophobicContact CG2-CE1 4.38Å; T533-F547 HydrophobicContact CG2-CE2 4.33Å; T533-F547 HydrophobicContact CG2-CZ 3.67Å; Y534-F547 CarbonylContact O-C 3.54Å; M535-F547 HydrophobicContact CB-CB 4.44Å; M535-F547 HydrophobicContact CB-CD2 3.88Å; M535-F547 HydrophobicContact CG-CD2 4.31Å; M535-F547 HydrophobicContact SD-CD2 3.74Å; M535-F547 HydrophobicContact SD-CE2 3.98Å; L544-F547 HydrophobicContact CD1-CB 4.16Å; L544-F547 HydrophobicContact CD1-CD2 4.22Å; F547-V549 HydrophobicContact CE1-CB 4.16Å; F547-Y580 AromaticContact CD1-CD2 3.98Å; F547-Y580 HydrophobicContact CD1-CD2 3.98Å; F547-Y580 HydrophobicContact CD1-CE2 4.42Å; F547-Y580 PolarHBondContact N-O 2.81Å; F547-Y580 VanDerWaalsContact N-O 3.08Å; F547-Y580 WeakPolarHBondContact O-CB 3.32Å; F547-Y580 PolarHBondContact O-N 3.2Å; F547-F607 HydrophobicContact CB-CE1 4.08Å; F547-F607 HydrophobicContact CB-CZ 4.07Å; F547-F607 AromaticContact CD1-CE1 3.39Å; F547-F607 HydrophobicContact CD1-CE1 3.39Å; F547-F607 HydrophobicContact CD1-CE2 4.38Å; F547-F607 AromaticContact CD1-CZ 3.31Å; F547-F607 HydrophobicContact CD1-CZ 3.31Å; F547-F607 HydrophobicContact CD2-CD1 4.26Å; F547-F607 AromaticContact CD2-CE1 3.74Å; F547-F607 HydrophobicContact CD2-CE1 3.74Å; F547-F607 HydrophobicContact CD2-CZ 4.43Å; F547-F607 AromaticContact CE1-CE1 3.59Å; F547-F607 HydrophobicContact CE1-CE1 3.59Å; F547-F607 AromaticContact CE1-CZ 3.73Å; F547-F607 HydrophobicContact CE1-CZ 3.73Å; F547-F607 AromaticContact CE2-CE1 3.93Å; F547-F607 HydrophobicContact CE2-CE1 3.93Å; F547-F607 HydrophobicContact CG-CD1 4.21Å; F547-F607 AromaticContact CG-CE1 3.46Å; F547-F607 HydrophobicContact CG-CE1 3.46Å; F547-F607 VanDerWaalsContact CG-CE1 3.46Å; F547-F607 AromaticContact CG-CZ 3.7Å; F547-F607 HydrophobicContact CG-CZ 3.7Å; F547-F607 AromaticContact CZ-CE1 3.85Å; F547-F607 HydrophobicContact CZ-CE1 3.85Å; F547-F607 HydrophobicContact CZ-CZ 4.45Å
548	L	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.4	176.9	169.2	65	0	0	0	109.3	V395 L415 T533 Y534 W546 T550 W559 V578 L579	V395-L548 HydrophobicContact CB-CD1 4.14Å; V395-L548 HydrophobicContact CG2-CD1 4.18Å; L415-L548 HydrophobicContact CD2-CD2 4.16Å; T533-L548 CarbonylContact C-O 3.4Å; T533-L548 WeakPolarHBondContact CA-O 3.21Å; T533-L548 WeakPolarHBondContact CB-O 3.38Å; Y534-L548 HydrophobicContact CD2-CD2 4.25Å; Y534-L548 PolarHBondContact N-O 3.42Å; Y534-L548 PolarHBondContact O-N 3.1Å; W546-L548 HydrophobicContact CZ3-CB 4.26Å; L548-T550 HydrophobicContact CD2-CG2 4.19Å; L548-T550 HydrophobicContact CG-CG2 4.18Å; L548-W559 HydrophobicContact CD2-CH2 3.59Å; L548-W559 HydrophobicContact CD2-CZ2 4.08Å; L548-V578 WeakPolarHBondContact CA-O 3.1Å; L548-V578 VanDerWaalsContact CD1-O 3.31Å; L548-V578 WeakPolarHBondContact CD1-O 3.45Å; L548-L579 HydrophobicContact CB-CD1 4.07Å; L548-L579 HydrophobicContact CD1-CB 4.39Å
549	V	98.9	Very high	97.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.3	160.6	60.4	0	0	0	0	109.3	F205 T320 I531 F547 G577 V578 Y580	F205-V549 HydrophobicContact CD2-CG1 4.14Å; F205-V549 HydrophobicContact CE2-CB 4.07Å; F205-V549 HydrophobicContact CE2-CG1 4.06Å; F205-V549 HydrophobicContact CE2-CG2 4.06Å; T320-V549 HydrophobicContact CG2-CG2 3.97Å; I531-V549 HydrophobicContact CD1-CG2 4.29Å; I531-V549 HydrophobicContact CG1-CG2 4.11Å; F547-V549 HydrophobicContact CE1-CB 4.16Å; V549-G577 CarbonylContact O-C 3.55Å; V549-G577 WeakPolarHBondContact O-CA 3.37Å; V549-V578 HydrophobicContact CG1-CG2 3.76Å; V549-V578 PolarHBondContact N-O 2.73Å; V549-V578 PolarHBondContact O-N 3.11Å; V549-Y580 HydrophobicContact CG1-CE2 4.48Å
550	T	98.9	Very high	98	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	164.2	-172	-177.7	0	0	0	0	112.4	T320 K532 Y534 L548 A552 W559 L576	T320-T550 WeakPolarHBondContact CG2-O 3.43Å; K532-T550 HydrophobicContact CB-CG2 4.39Å; K532-T550 WeakPolarHBondContact CB-O 3.22Å; K532-T550 PolarHBondContact O-N 2.58Å; K532-T550 VanDerWaalsContact O-N 3.15Å; Y534-T550 HydrophobicContact CD2-CG2 4.06Å; Y534-T550 HydrophobicContact CE2-CG2 4.01Å; L548-T550 HydrophobicContact CD2-CG2 4.19Å; L548-T550 HydrophobicContact CG-CG2 4.18Å; T550-A552 VanDerWaalsContact C-N 3.33Å; T550-A552 HydrophobicContact CG2-CB 3.9Å; T550-A552 PolarHBondContact OG1-N 3.12Å; T550-W559 HydrophobicContact CG2-CZ2 4.45Å; T550-L576 CarbonylContact C-O 3.58Å; T550-L576 VanDerWaalsContact CA-O 3.3Å; T550-L576 WeakPolarHBondContact CA-O 3.44Å; T550-L576 PolarHBondContact OG1-O 3.41Å
551	S	98.9	Very high	98.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	7%	0.071	C	C	.	.	S	Bend	trans	-73.1	-24.5	161.8	62	0	0	0	0	112.6	H302 K532 N553 E575 L576	H302-S551 PolarHBondContact CE1-O 3.42Å; H302-S551 PolarHBondContact ND1-O 3.07Å; H302-S551 VanDerWaalsContact ND1-O 3.1Å; H302-S551 WeakPolarHBondContact O-CB 3.42Å; K532-S551 WeakPolarHBondContact CD-O 3.28Å; S551-N553 PolarHBondContact O-N 3.12Å; S551-E575 WeakPolarHBondContact CB-OE2 3.5Å; S551-E575 WeakPolarHBondContact OG-CA 3.49Å; S551-E575 PolarHBondContact OG-OE2 2.94Å; S551-L576 PolarHBondContact N-O 3.14Å; S551-L576 PolarHBondContact OG-N 3.13Å; S551-L576 PolarHBondContact OG-O 2.68Å
552	A	98.8	Very high	98.3	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.073	C	C	.	.			trans	-63.1	121.1	-171.4	0	0	0	0	0	113.4	K532 T550 A558 W559 E575	K532-A552 WeakPolarHBondContact CB-O 3.15Å; T550-A552 VanDerWaalsContact C-N 3.33Å; T550-A552 HydrophobicContact CG2-CB 3.9Å; T550-A552 PolarHBondContact OG1-N 3.12Å; A552-A558 HydrophobicContact CB-CB 4.17Å; A552-W559 HydrophobicContact CB-CD2 4.4Å; A552-W559 HydrophobicContact CB-CZ2 3.99Å; A552-E575 WeakPolarHBondContact CA-OE2 3.32Å; A552-E575 HydrophobicContact CB-CB 4.11Å; A552-E575 HydrophobicContact CB-CG 4.06Å; A552-E575 PolarHBondContact N-OE2 3.07Å
553	N	98.9	Very high	98.3	Very high	14 Å²	14	12.3 Å²	12.3	8%	0.075	7%	0.065	C	C	.	.			trans	-87.2	168.3	170.6	-81.5	-56.5	0	0	0	111.5	S439 S440 K532 S551 S555 W559	S439-N553 PolarHBondContact N-OD1 3.3Å; S439-N553 PolarHBondContact OG-OD1 3.29Å; S440-N553 PolarHBondContact N-OD1 3.35Å; S440-N553 WeakPolarHBondContact O-CB 3.48Å; K532-N553 VanDerWaalsContact CE-CG 3.49Å; K532-N553 VanDerWaalsContact CE-ND2 3.32Å; K532-N553 WeakPolarHBondContact CE-ND2 3.21Å; K532-N553 WeakPolarHBondContact CE-OD1 3.4Å; K532-N553 WeakPolarHBondContact CG-OD1 3.39Å; S551-N553 PolarHBondContact O-N 3.12Å; N553-S555 PolarHBondContact O-N 2.97Å; N553-W559 PolarHBondContact O-NE1 3.45Å
554	L	98.7	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-71.6	85.7	178.5	-173.5	67.8	0	0	0	111.4	F438 S440 I441 G442 M444 W451 F456 L476 Y534	F438-L554 HydrophobicContact CD1-CB 3.7Å; F438-L554 HydrophobicContact CD1-CD2 4.45Å; F438-L554 HydrophobicContact CD2-CB 4.04Å; F438-L554 HydrophobicContact CE1-CB 3.83Å; F438-L554 HydrophobicContact CE1-CD2 3.7Å; F438-L554 HydrophobicContact CE1-CG 4.27Å; F438-L554 HydrophobicContact CE2-CB 4.15Å; F438-L554 HydrophobicContact CE2-CD2 4.2Å; F438-L554 HydrophobicContact CG-CB 3.82Å; F438-L554 HydrophobicContact CZ-CB 4.04Å; F438-L554 HydrophobicContact CZ-CD2 3.54Å; F438-L554 HydrophobicContact CZ-CG 4.41Å; S440-L554 PolarHBondContact O-N 2.86Å; I441-L554 WeakPolarHBondContact CA-O 3.22Å; G442-L554 PolarHBondContact N-O 3.48Å; M444-L554 HydrophobicContact CE-CD2 3.7Å; M444-L554 HydrophobicContact CE-CG 4.05Å; M444-L554 HydrophobicContact SD-CD1 4.13Å; M444-L554 HydrophobicContact SD-CD2 3.89Å; M444-L554 HydrophobicContact SD-CG 3.71Å; W451-L554 HydrophobicContact CH2-CD1 4.46Å; W451-L554 HydrophobicContact CZ3-CD1 3.95Å; F456-L554 HydrophobicContact CD1-CD1 3.93Å; F456-L554 HydrophobicContact CE1-CD1 3.57Å; L476-L554 HydrophobicContact CD1-CD2 3.93Å; L476-L554 HydrophobicContact CD2-CD2 4.42Å; Y534-L554 PolarHBondContact OH-N 2.77Å
555	S	98.6	Very high	98.1	Very high	20 Å²	20	23.4 Å²	23.4	14%	0.14	12%	0.12	C	C	.	.	S	Bend	trans	-156.7	149.2	178.9	70.2	0	0	0	0	113.3	N553 A557 A558 W559	N553-S555 PolarHBondContact O-N 2.97Å; S555-A557 PolarHBondContact O-N 2.74Å; S555-A558 PolarHBondContact O-N 3.5Å; S555-A558 WeakPolarHBondContact OG-CB 3.46Å; S555-A558 PolarHBondContact OG-N 3.22Å; S555-W559 PolarHBondContact O-N 3.42Å
556	K	98.6	Very high	98	Very high	44 Å²	44	28.6 Å²	28.6	19%	0.191	15%	0.147	C	C	.	.	H	α-helix	trans	-54.9	-34	169	-59.8	-171.2	-60.7	176.7	0	112.7	D45 S443 W451 G560 A561	D45-K556 IonicContact OD2-NZ 3.8Å; D45-K556 PolarHBondContact OD2-NZ 2.86Å; S443-K556 WeakPolarHBondContact O-CE 3.29Å; W451-K556 HydrophobicContact CD2-CG 3.98Å; W451-K556 HydrophobicContact CG-CD 4.31Å; W451-K556 HydrophobicContact CG-CG 3.9Å; K556-G560 CarbonylContact O-C 3.11Å; K556-G560 WeakPolarHBondContact O-CA 3.44Å; K556-G560 PolarHBondContact O-N 2.97Å; K556-A561 HydrophobicContact CB-CB 4.15Å; K556-A561 HydrophobicContact CD-CB 4.11Å; K556-A561 HydrophobicContact CG-CB 4.19Å
557	A	98.4	Very high	97.9	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-42	-177.6	0	0	0	0	0	113.1	S555 R572 S573	S555-A557 PolarHBondContact O-N 2.74Å; A557-R572 HydrophobicContact CB-CB 3.97Å; A557-R572 HydrophobicContact CB-CG 4.33Å; A557-R572 PolarHBondContact O-N 2.87Å; A557-R572 VanDerWaalsContact O-N 3.09Å; A557-S573 PolarHBondContact O-N 3.37Å
558	A	98.5	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78.8	-46.6	179.2	0	0	0	0	0	112.5	S397 A552 S555 E575	S397-A558 VanDerWaalsContact CB-O 3.3Å; S397-A558 WeakPolarHBondContact CB-O 3.17Å; S397-A558 PolarHBondContact OG-O 2.91Å; A552-A558 HydrophobicContact CB-CB 4.17Å; S555-A558 PolarHBondContact O-N 3.5Å; S555-A558 WeakPolarHBondContact OG-CB 3.46Å; S555-A558 PolarHBondContact OG-N 3.22Å; A558-E575 HydrophobicContact CB-CG 3.81Å; A558-E575 VanDerWaalsContact CB-OE1 3.23Å; A558-E575 WeakPolarHBondContact CB-OE1 3.32Å
559	W	98.8	Very high	97.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-92	-19.6	-171.2	-82.1	111	0	0	0	114.7	V395 G411 H412 L415 W451 F456 Y534 L548 T550 A552 N553 S555	V395-W559 HydrophobicContact CG1-CH2 4.34Å; V395-W559 HydrophobicContact CG1-CZ3 4.19Å; G411-W559 CarbonylContact C-O 3.53Å; G411-W559 VanDerWaalsContact CA-O 3.31Å; G411-W559 WeakPolarHBondContact CA-O 3.43Å; H412-W559 HydrophobicContact CB-CB 4.39Å; H412-W559 HydrophobicContact CB-CD2 4.5Å; H412-W559 HydrophobicContact CB-CE3 3.8Å; H412-W559 HydrophobicContact CB-CZ3 4.46Å; H412-W559 PolarHBondContact CD2-O 2.7Å; H412-W559 PolarHBondContact N-O 2.94Å; L415-W559 HydrophobicContact CB-CZ3 4.17Å; L415-W559 HydrophobicContact CD2-CH2 3.74Å; L415-W559 HydrophobicContact CD2-CZ3 3.96Å; W451-W559 HydrophobicContact CH2-CB 3.9Å; W451-W559 HydrophobicContact CH2-CG 4.33Å; W451-W559 HydrophobicContact CZ2-CB 3.67Å; F456-W559 HydrophobicContact CD2-CB 4.46Å; F456-W559 HydrophobicContact CD2-CG 4.36Å; F456-W559 HydrophobicContact CE2-CB 4.14Å; F456-W559 AromaticContact CE2-CD1 3.95Å; F456-W559 AromaticContact CE2-CD2 3.48Å; F456-W559 HydrophobicContact CE2-CD2 3.48Å; F456-W559 VanDerWaalsContact CE2-CD2 3.48Å; F456-W559 AromaticContact CE2-CE2 3.78Å; F456-W559 AromaticContact CE2-CE3 3.9Å; F456-W559 HydrophobicContact CE2-CE3 3.9Å; F456-W559 AromaticContact CE2-CG 3.6Å; F456-W559 HydrophobicContact CE2-CG 3.6Å; F456-W559 HydrophobicContact CE2-CZ2 4.39Å; F456-W559 HydrophobicContact CE2-CZ3 4.49Å; F456-W559 AromaticContact CZ-CD1 3.78Å; F456-W559 AromaticContact CZ-CD2 3.85Å; F456-W559 HydrophobicContact CZ-CD2 3.85Å; F456-W559 AromaticContact CZ-CE2 3.65Å; F456-W559 AromaticContact CZ-CG 3.91Å; F456-W559 HydrophobicContact CZ-CG 3.91Å; F456-W559 HydrophobicContact CZ-CZ2 4.21Å; F456-W559 AromaticContact CZ-NE1 3.61Å; Y534-W559 AromaticContact CD2-CZ2 3.85Å; Y534-W559 HydrophobicContact CD2-CZ2 3.85Å; Y534-W559 AromaticContact CE2-CZ2 3.62Å; Y534-W559 HydrophobicContact CE2-CZ2 3.62Å; Y534-W559 AromaticContact CE2-NE1 3.85Å; Y534-W559 HydrophobicContact CG-CZ2 4.48Å; Y534-W559 AromaticContact CZ-NE1 3.55Å; Y534-W559 PolarHBondContact OH-NE1 3.35Å; Y534-W559 VanDerWaalsContact OH-NE1 3.16Å; L548-W559 HydrophobicContact CD2-CH2 3.59Å; L548-W559 HydrophobicContact CD2-CZ2 4.08Å; T550-W559 HydrophobicContact CG2-CZ2 4.45Å; A552-W559 HydrophobicContact CB-CD2 4.4Å; A552-W559 HydrophobicContact CB-CZ2 3.99Å; N553-W559 PolarHBondContact O-NE1 3.45Å; S555-W559 PolarHBondContact O-N 3.42Å
560	G	98.4	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.			trans	89.3	159.5	-171	0	0	0	0	0	113.5	W451 K556 M570	W451-G560 WeakPolarHBondContact CZ2-O 3.49Å; W451-G560 PolarHBondContact NE1-O 2.95Å; K556-G560 CarbonylContact O-C 3.11Å; K556-G560 WeakPolarHBondContact O-CA 3.44Å; K556-G560 PolarHBondContact O-N 2.97Å; G560-M570 CarbonylContact C-O 3.54Å; G560-M570 WeakPolarHBondContact CA-O 3.46Å
561	A	98.4	Very high	97.8	Very high	11 Å²	11	33.4 Å²	33.4	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.4	171	0	0	0	0	0	110.4	K556 M570	K556-A561 HydrophobicContact CB-CB 4.15Å; K556-A561 HydrophobicContact CD-CB 4.11Å; K556-A561 HydrophobicContact CG-CB 4.19Å; A561-M570 PolarHBondContact N-O 3.19Å; A561-M570 PolarHBondContact O-N 2.7Å
562	L	97.9	Very high	97.8	Very high	35 Å²	35	34.6 Å²	34.6	18%	0.183	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.4	178.7	-70.7	169.1	0	0	0	111.5	M407 L413 E455 N566 Q568 I569	M407-L562 HydrophobicContact CE-CD2 3.46Å; M407-L562 VanDerWaalsContact CE-CD2 3.46Å; L413-L562 HydrophobicContact CD1-CD2 4.22Å; E455-L562 HydrophobicContact CG-CD1 4.11Å; E455-L562 VanDerWaalsContact OE2-CB 3.3Å; E455-L562 WeakPolarHBondContact OE2-CB 3.33Å; E455-L562 VanDerWaalsContact OE2-CG 3.25Å; E455-L562 WeakPolarHBondContact OE2-CG 3.37Å; E455-L562 PolarHBondContact OE2-N 3.18Å; L562-N566 HydrophobicContact CD1-CB 4.03Å; L562-N566 HydrophobicContact CD2-CB 4.48Å; L562-Q568 CarbonylContact C-O 3.39Å; L562-Q568 WeakPolarHBondContact CA-O 3.41Å; L562-Q568 WeakPolarHBondContact CD2-O 3.43Å; L562-I569 HydrophobicContact CD2-CB 4.29Å
563	E	96.4	Very high	97.8	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	167.8	174.2	-69.9	-177.9	160.3	0	0	109.6	R401 N565 N566 T567 Q568 M570	R401-E563 IonicContact CZ-OE1 2.9Å; R401-E563 IonicContact CZ-OE2 3.2Å; R401-E563 IonicContact NE-OE1 3.9Å; R401-E563 IonicContact NE-OE2 3.73Å; R401-E563 PolarHBondContact NE-OE2 3.29Å; R401-E563 IonicContact NH2-OE1 3.25Å; R401-E563 PolarHBondContact NH2-OE1 3.25Å; R401-E563 IonicContact NH2-OE2 2.76Å; R401-E563 PolarHBondContact NH2-OE2 3.33Å; E563-N565 PolarHBondContact O-N 2.71Å; E563-N566 PolarHBondContact O-N 2.92Å; E563-T567 PolarHBondContact O-N 3.3Å; E563-Q568 HydrophobicContact CB-CB 4.33Å; E563-Q568 PolarHBondContact N-O 2.77Å; E563-Q568 PolarHBondContact O-N 3.35Å; E563-Q568 PolarHBondContact OE2-NE2 3.04Å; E563-M570 HydrophobicContact CG-CB 3.95Å; E563-M570 WeakPolarHBondContact OE1-CB 3.35Å; E563-M570 WeakPolarHBondContact OE1-CG 3.31Å; E563-M570 WeakPolarHBondContact OE2-CB 3.47Å
564	K	95.6	Very high	97.8	Very high	139 Å²	139	34.4 Å²	34.4	60%	0.604	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	59.9	172.9	-59.6	177.5	180	169.1	0	113.4	N566 T567 Q568	K564-N566 VanDerWaalsContact C-N 3.27Å; K564-N566 PolarHBondContact O-N 2.86Å; K564-T567 WeakPolarHBondContact O-CB 3.39Å; K564-T567 PolarHBondContact O-N 3.26Å; K564-T567 VanDerWaalsContact O-N 3.13Å; K564-T567 PolarHBondContact O-OG1 2.96Å; K564-Q568 HydrophobicContact CB-CB 4.39Å; K564-Q568 HydrophobicContact CD-CB 4.27Å
565	N	93.4	Very high	97.8	Very high	160 Å²	160	34.8 Å²	34.8	86%	0.856	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	43.5	179.1	-57.5	-17.8	0	0	0	113.2	E563 T567	E563-N565 PolarHBondContact O-N 2.71Å; N565-T567 VanDerWaalsContact C-N 3.26Å; N565-T567 PolarHBondContact O-N 2.95Å
566	N	95.4	Very high	97.8	Very high	111 Å²	111	33.9 Å²	33.9	59%	0.594	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	19.7	179.1	-52.9	-16	0	0	0	115.4	L562 E563 K564	L562-N566 HydrophobicContact CD1-CB 4.03Å; L562-N566 HydrophobicContact CD2-CB 4.48Å; E563-N566 PolarHBondContact O-N 2.92Å; K564-N566 VanDerWaalsContact C-N 3.27Å; K564-N566 PolarHBondContact O-N 2.86Å
567	T	97.1	Very high	97.8	Very high	85 Å²	85	31.8 Å²	31.8	52%	0.521	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.9	176.1	64.2	0	0	0	0	113.9	E563 K564 N565	E563-T567 PolarHBondContact O-N 3.3Å; K564-T567 WeakPolarHBondContact O-CB 3.39Å; K564-T567 PolarHBondContact O-N 3.26Å; K564-T567 VanDerWaalsContact O-N 3.13Å; K564-T567 PolarHBondContact O-OG1 2.96Å; N565-T567 VanDerWaalsContact C-N 3.26Å; N565-T567 PolarHBondContact O-N 2.95Å
568	Q	98	Very high	97.9	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.7	-179.3	-174.9	174.1	-83.4	0	0	109.2	R401 Y402 V403 L562 E563 K564	R401-Q568 HydrophobicContact CB-CG 4.2Å; Y402-Q568 CarbonylContact O-C 3.5Å; Y402-Q568 VanDerWaalsContact O-CA 3.28Å; Y402-Q568 WeakPolarHBondContact O-CA 3.38Å; V403-Q568 HydrophobicContact CG1-CB 3.93Å; V403-Q568 HydrophobicContact CG1-CG 3.84Å; L562-Q568 CarbonylContact C-O 3.39Å; L562-Q568 WeakPolarHBondContact CA-O 3.41Å; L562-Q568 WeakPolarHBondContact CD2-O 3.43Å; E563-Q568 HydrophobicContact CB-CB 4.33Å; E563-Q568 PolarHBondContact N-O 2.77Å; E563-Q568 PolarHBondContact O-N 3.35Å; E563-Q568 PolarHBondContact OE2-NE2 3.04Å; K564-Q568 HydrophobicContact CB-CB 4.39Å; K564-Q568 HydrophobicContact CD-CB 4.27Å
569	I	98.3	Very high	97.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135	163.5	-174	167.1	0	0	0	109.5	R401 Y402 M407 L413 L562 V571	R401-I569 WeakPolarHBondContact CA-O 3.45Å; Y402-I569 HydrophobicContact CD2-CG2 4.25Å; Y402-I569 PolarHBondContact N-O 3.33Å; Y402-I569 PolarHBondContact O-N 3.2Å; M407-I569 HydrophobicContact CB-CG2 3.98Å; M407-I569 HydrophobicContact CE-CB 4.4Å; M407-I569 HydrophobicContact CG-CG2 4.07Å; L413-I569 HydrophobicContact CB-CD1 4.41Å; L413-I569 HydrophobicContact CD1-CB 4.07Å; L413-I569 HydrophobicContact CD1-CD1 3.67Å; L413-I569 HydrophobicContact CD1-CG1 4.44Å; L413-I569 HydrophobicContact CD1-CG2 4.17Å; L413-I569 HydrophobicContact CG-CD1 3.77Å; L562-I569 HydrophobicContact CD2-CB 4.29Å; I569-V571 HydrophobicContact CG1-CG2 4.44Å
570	M	98.4	Very high	97.9	Very high	11 Å²	11	31.3 Å²	31.3	5%	0.054	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.8	177	-176.8	-80.4	-60.4	0	0	110	I296 G400 R401 G560 A561 E563 R572	I296-M570 HydrophobicContact CG2-SD 4.36Å; G400-M570 WeakPolarHBondContact O-CA 3.12Å; R401-M570 HydrophobicContact CG-CB 3.9Å; R401-M570 HydrophobicContact CG-CG 3.72Å; G560-M570 CarbonylContact C-O 3.54Å; G560-M570 WeakPolarHBondContact CA-O 3.46Å; A561-M570 PolarHBondContact N-O 3.19Å; A561-M570 PolarHBondContact O-N 2.7Å; E563-M570 HydrophobicContact CG-CB 3.95Å; E563-M570 WeakPolarHBondContact OE1-CB 3.35Å; E563-M570 WeakPolarHBondContact OE1-CG 3.31Å; E563-M570 WeakPolarHBondContact OE2-CB 3.47Å; M570-R572 HydrophobicContact CE-CG 4.16Å; M570-R572 HydrophobicContact SD-CG 3.47Å; M570-R572 WeakPolarHBondContact SD-CG 3.41Å
571	V	98.5	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.4	-180	178.9	0	0	0	0	107.7	I296 T398 P399 G400 Y402 I569	I296-V571 WeakPolarHBondContact CD1-O 3.22Å; T398-V571 WeakPolarHBondContact O-CB 3.35Å; T398-V571 WeakPolarHBondContact O-CG1 3.18Å; P399-V571 WeakPolarHBondContact CA-O 3.48Å; G400-V571 PolarHBondContact N-O 2.8Å; G400-V571 PolarHBondContact O-N 2.83Å; Y402-V571 HydrophobicContact CE2-CB 4.37Å; Y402-V571 HydrophobicContact CE2-CG2 4.34Å; I569-V571 HydrophobicContact CG1-CG2 4.44Å
572	R	98.6	Very high	97.8	Very high	27 Å²	27	31 Å²	31	10%	0.102	16%	0.158	C	C	.	.			trans	-98.6	-30.5	-176.9	-57.4	-172.7	-178.5	-98.3	7.3	113.2	S43 D45 I296 A297 G299 P399 A557 M570	S43-R572 VanDerWaalsContact OG-CZ 3.28Å; S43-R572 PolarHBondContact OG-NE 3.02Å; S43-R572 PolarHBondContact OG-NH2 2.86Å; D45-R572 IonicContact OD1-NH2 3.96Å; D45-R572 PolarHBondContact OD1-NH2 2.86Å; I296-R572 HydrophobicContact CG2-CB 4.38Å; I296-R572 HydrophobicContact CG2-CG 3.93Å; A297-R572 WeakPolarHBondContact O-CD 3.44Å; A297-R572 PolarHBondContact O-NH1 2.99Å; G299-R572 WeakPolarHBondContact CA-O 3.28Å; P399-R572 WeakPolarHBondContact CB-O 3.5Å; A557-R572 HydrophobicContact CB-CB 3.97Å; A557-R572 HydrophobicContact CB-CG 4.33Å; A557-R572 PolarHBondContact O-N 2.87Å; A557-R572 VanDerWaalsContact O-N 3.09Å; M570-R572 HydrophobicContact CE-CG 4.16Å; M570-R572 HydrophobicContact SD-CG 3.47Å; M570-R572 WeakPolarHBondContact SD-CG 3.41Å
573	S	98.7	Very high	97.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	-116.5	156.4	-167.6	-66.5	0	0	0	0	114.3	T300 S397 A557	T300-S573 PolarHBondContact N-OG 3.49Å; T300-S573 CarbonylContact O-C 3.51Å; T300-S573 VanDerWaalsContact O-CA 3.23Å; T300-S573 WeakPolarHBondContact O-CA 2.99Å; T300-S573 WeakPolarHBondContact O-CB 3.17Å; T300-S573 PolarHBondContact O-OG 2.99Å; S397-S573 CarbonylContact C-O 3.57Å; S397-S573 WeakPolarHBondContact CB-O 3.08Å; A557-S573 PolarHBondContact O-N 3.37Å
574	Y	98.9	Very high	97.7	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.027	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-82	123.3	160.6	-67	-88.3	0	0	0	109.6	A292 K293 L294 T300 H301 H302 T303 Y366 Y370 S397 T398 P399	A292-Y574 HydrophobicContact CB-CD2 4.16Å; A292-Y574 HydrophobicContact CB-CE2 3.75Å; K293-Y574 VanDerWaalsContact O-CE2 3.3Å; K293-Y574 WeakPolarHBondContact O-CE2 3.28Å; K293-Y574 PolarHBondContact O-OH 3.34Å; L294-Y574 HydrophobicContact CD2-CD2 3.81Å; L294-Y574 HydrophobicContact CD2-CE2 3.99Å; T300-Y574 PolarHBondContact O-N 2.85Å; H301-Y574 HydrophobicContact CB-CD2 4.4Å; H301-Y574 AromaticContact CD2-CD2 3.77Å; H301-Y574 AromaticContact CD2-CG 3.84Å; H302-Y574 CarbonylContact C-O 3.59Å; H302-Y574 WeakPolarHBondContact CA-O 3.44Å; H302-Y574 PolarHBondContact N-O 3.44Å; T303-Y574 PolarHBondContact N-O 2.87Å; T303-Y574 PolarHBondContact OG1-O 2.91Å; Y366-Y574 HydrophobicContact CE2-CD1 4.45Å; Y370-Y574 HydrophobicContact CD1-CE1 4.16Å; Y370-Y574 AromaticContact CD2-CE1 3.97Å; Y370-Y574 HydrophobicContact CD2-CE1 3.97Å; Y370-Y574 HydrophobicContact CE1-CD1 4.17Å; Y370-Y574 AromaticContact CE1-CE1 4Å; Y370-Y574 HydrophobicContact CE1-CE1 4Å; Y370-Y574 AromaticContact CE2-CD1 3.87Å; Y370-Y574 HydrophobicContact CE2-CD1 3.87Å; Y370-Y574 AromaticContact CE2-CE1 3.78Å; Y370-Y574 HydrophobicContact CE2-CE1 3.78Å; Y370-Y574 HydrophobicContact CG-CE1 4.15Å; Y370-Y574 AromaticContact CZ-CD1 3.67Å; Y370-Y574 AromaticContact CZ-CE1 3.8Å; S397-Y574 VanDerWaalsContact O-CA 3.3Å; S397-Y574 WeakPolarHBondContact O-CA 3.45Å; T398-Y574 HydrophobicContact CG2-CD1 4.19Å; T398-Y574 HydrophobicContact CG2-CE1 4.28Å; P399-Y574 VanDerWaalsContact CD-CE2 3.48Å; P399-Y574 VanDerWaalsContact CD-CZ 3.44Å; P399-Y574 HydrophobicContact CG-CD2 3.65Å; P399-Y574 HydrophobicContact CG-CE1 4.49Å; P399-Y574 HydrophobicContact CG-CE2 3.53Å; P399-Y574 HydrophobicContact CG-CG 4.21Å
575	E	98.9	Very high	97.7	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.4	172.9	-55.4	-77.2	-174.9	0	0	109.7	H302 T303 A396 S397 S551 A552 A558	H302-E575 WeakPolarHBondContact CB-OE2 3.19Å; H302-E575 IonicContact CE1-OE2 3.29Å; H302-E575 IonicContact CG-OE1 2.7Å; H302-E575 IonicContact CG-OE2 3.93Å; H302-E575 IonicContact ND1-OE1 3.21Å; H302-E575 PolarHBondContact ND1-OE1 3.06Å; H302-E575 IonicContact ND1-OE2 3.09Å; H302-E575 PolarHBondContact ND1-OE2 2.8Å; T303-E575 VanDerWaalsContact OG1-CA 3.29Å; T303-E575 WeakPolarHBondContact OG1-CA 3.42Å; T303-E575 PolarHBondContact OG1-N 3.37Å; A396-E575 WeakPolarHBondContact CA-O 3.41Å; S397-E575 PolarHBondContact N-O 3.36Å; S397-E575 PolarHBondContact O-N 3.02Å; S397-E575 VanDerWaalsContact O-N 3.07Å; S551-E575 WeakPolarHBondContact CB-OE2 3.5Å; S551-E575 WeakPolarHBondContact OG-CA 3.49Å; S551-E575 PolarHBondContact OG-OE2 2.94Å; A552-E575 WeakPolarHBondContact CA-OE2 3.32Å; A552-E575 HydrophobicContact CB-CB 4.11Å; A552-E575 HydrophobicContact CB-CG 4.06Å; A552-E575 PolarHBondContact N-OE2 3.07Å; A558-E575 HydrophobicContact CB-CG 3.81Å; A558-E575 VanDerWaalsContact CB-OE1 3.23Å; A558-E575 WeakPolarHBondContact CB-OE1 3.32Å
576	L	98.9	Very high	97.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.7	176.7	-158	61	0	0	0	111.6	T303 M305 I318 Y366 L394 V395 A396 T550 S551	T303-L576 HydrophobicContact CG2-CB 3.72Å; T303-L576 HydrophobicContact CG2-CD2 3.99Å; T303-L576 PolarHBondContact OG1-N 2.97Å; M305-L576 HydrophobicContact CB-CD2 4.17Å; M305-L576 HydrophobicContact CE-CD2 4.14Å; M305-L576 HydrophobicContact CG-CD2 4.34Å; M305-L576 HydrophobicContact SD-CD2 3.44Å; M305-L576 WeakPolarHBondContact SD-CD2 3.4Å; I318-L576 HydrophobicContact CD1-CD2 3.88Å; I318-L576 HydrophobicContact CD1-CG 4.13Å; I318-L576 HydrophobicContact CG1-CD2 4Å; I318-L576 HydrophobicContact CG2-CG 4.35Å; Y366-L576 HydrophobicContact CD1-CD1 3.99Å; Y366-L576 HydrophobicContact CD1-CD2 4.25Å; Y366-L576 HydrophobicContact CD2-CD1 4.17Å; Y366-L576 HydrophobicContact CE1-CD1 3.95Å; Y366-L576 HydrophobicContact CE1-CD2 3.92Å; Y366-L576 HydrophobicContact CE1-CG 4.43Å; Y366-L576 HydrophobicContact CE2-CD1 4.13Å; Y366-L576 HydrophobicContact CG-CD1 4.1Å; L394-L576 HydrophobicContact CD1-CD1 3.73Å; L394-L576 HydrophobicContact CD1-CG 4.14Å; L394-L576 HydrophobicContact CD2-CD1 4.1Å; L394-L576 HydrophobicContact CG-CD1 3.92Å; V395-L576 CarbonylContact O-C 3.41Å; A396-L576 HydrophobicContact CB-CD1 3.57Å; T550-L576 CarbonylContact C-O 3.58Å; T550-L576 VanDerWaalsContact CA-O 3.3Å; T550-L576 WeakPolarHBondContact CA-O 3.44Å; T550-L576 PolarHBondContact OG1-O 3.41Å; S551-L576 PolarHBondContact N-O 3.14Å; S551-L576 PolarHBondContact OG-N 3.13Å; S551-L576 PolarHBondContact OG-O 2.68Å
577	G	98.9	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	169.5	179.3	0	0	0	0	0	112.2	V395 V549	V395-G577 PolarHBondContact N-O 2.8Å; V395-G577 PolarHBondContact O-N 3.39Å; V549-G577 CarbonylContact O-C 3.55Å; V549-G577 WeakPolarHBondContact O-CA 3.37Å
578	V	98.9	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.7	179.7	-65.9	0	0	0	0	111.6	I318 W336 F359 V392 Y393 L548 V549 Y580	I318-V578 HydrophobicContact CB-CG1 4.48Å; I318-V578 HydrophobicContact CD1-CG1 3.67Å; W336-V578 HydrophobicContact CB-CG2 3.51Å; W336-V578 HydrophobicContact CD2-CG1 4.14Å; W336-V578 HydrophobicContact CD2-CG2 4.29Å; W336-V578 HydrophobicContact CE3-CG1 3.83Å; W336-V578 HydrophobicContact CG-CG2 3.84Å; W336-V578 HydrophobicContact CZ3-CG1 4.31Å; F359-V578 HydrophobicContact CE2-CG1 4.19Å; V392-V578 HydrophobicContact CB-CB 3.99Å; V392-V578 HydrophobicContact CB-CG1 4.5Å; V392-V578 HydrophobicContact CG2-CB 3.88Å; V392-V578 HydrophobicContact CG2-CG1 3.86Å; Y393-V578 WeakPolarHBondContact O-CA 3.4Å; L548-V578 WeakPolarHBondContact CA-O 3.1Å; L548-V578 VanDerWaalsContact CD1-O 3.31Å; L548-V578 WeakPolarHBondContact CD1-O 3.45Å; V549-V578 HydrophobicContact CG1-CG2 3.76Å; V549-V578 PolarHBondContact N-O 2.73Å; V549-V578 PolarHBondContact O-N 3.11Å; V578-Y580 HydrophobicContact CG2-CE2 3.95Å
579	L	98.9	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.7	179.5	178.7	73.9	0	0	0	110	Y393 V395 L415 L418 L419 W546 L548 V581	Y393-L579 PolarHBondContact N-O 2.87Å; Y393-L579 PolarHBondContact O-N 2.82Å; V395-L579 HydrophobicContact CG2-CB 3.71Å; V395-L579 HydrophobicContact CG2-CD2 4.5Å; L415-L579 HydrophobicContact CD1-CD1 3.8Å; L415-L579 HydrophobicContact CD1-CD2 3.88Å; L415-L579 HydrophobicContact CD1-CG 4.4Å; L418-L579 HydrophobicContact CB-CD2 3.71Å; L418-L579 HydrophobicContact CD1-CD2 4.02Å; L419-L579 HydrophobicContact CD2-CD1 4.41Å; L419-L579 HydrophobicContact CD2-CD2 4.27Å; W546-L579 HydrophobicContact CB-CD1 4.3Å; W546-L579 HydrophobicContact CD2-CD1 4.33Å; W546-L579 HydrophobicContact CE3-CD1 3.71Å; W546-L579 HydrophobicContact CZ3-CD1 4.46Å; L548-L579 HydrophobicContact CB-CD1 4.07Å; L548-L579 HydrophobicContact CD1-CB 4.39Å; L579-V581 HydrophobicContact CD2-CG2 3.69Å; L579-V581 HydrophobicContact CG-CG2 3.75Å
580	Y	98.8	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.8	169.8	-63.8	-94.8	0	0	0	109.1	Y203 V392 W546 F547 V549 V578 F585 F607	Y203-Y580 HydrophobicContact CD1-CD1 4.4Å; Y203-Y580 WeakPolarHBondContact O-CE1 3.42Å; Y203-Y580 PolarHBondContact O-OH 2.61Å; V392-Y580 HydrophobicContact CG1-CD1 3.64Å; V392-Y580 HydrophobicContact CG1-CD2 4.45Å; V392-Y580 HydrophobicContact CG1-CE1 3.42Å; V392-Y580 VanDerWaalsContact CG1-CE1 3.42Å; V392-Y580 HydrophobicContact CG1-CE2 4.27Å; V392-Y580 HydrophobicContact CG1-CG 4.17Å; W546-Y580 WeakPolarHBondContact CA-O 3.45Å; W546-Y580 WeakPolarHBondContact CB-O 3.41Å; F547-Y580 AromaticContact CD1-CD2 3.98Å; F547-Y580 HydrophobicContact CD1-CD2 3.98Å; F547-Y580 HydrophobicContact CD1-CE2 4.42Å; F547-Y580 PolarHBondContact N-O 2.81Å; F547-Y580 VanDerWaalsContact N-O 3.08Å; F547-Y580 WeakPolarHBondContact O-CB 3.32Å; F547-Y580 PolarHBondContact O-N 3.2Å; V549-Y580 HydrophobicContact CG1-CE2 4.48Å; V578-Y580 HydrophobicContact CG2-CE2 3.95Å; Y580-F585 AromaticContact CD1-CE2 3.91Å; Y580-F585 HydrophobicContact CD1-CE2 3.91Å; Y580-F585 AromaticContact CD1-CZ 3.72Å; Y580-F585 HydrophobicContact CD1-CZ 3.72Å; Y580-F585 HydrophobicContact CE1-CZ 4.16Å; Y580-F607 AromaticContact CD1-CE2 3.66Å; Y580-F607 HydrophobicContact CD1-CE2 3.66Å; Y580-F607 HydrophobicContact CD1-CZ 4.39Å; Y580-F607 AromaticContact CD2-CE2 3.98Å; Y580-F607 HydrophobicContact CD2-CE2 3.98Å; Y580-F607 AromaticContact CD2-CZ 3.93Å; Y580-F607 HydrophobicContact CD2-CZ 3.93Å; Y580-F607 AromaticContact CE1-CE2 3.97Å; Y580-F607 HydrophobicContact CE1-CE2 3.97Å; Y580-F607 HydrophobicContact CE2-CE2 4.27Å; Y580-F607 HydrophobicContact CE2-CZ 4.06Å; Y580-F607 AromaticContact CG-CE2 3.65Å; Y580-F607 HydrophobicContact CG-CE2 3.65Å; Y580-F607 HydrophobicContact CG-CZ 4.09Å
581	V	98.3	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.			trans	-121.6	128.4	176.5	-172.6	0	0	0	0	108.3	Y393 H422 T423 L579 S583 A584 F585 F590	Y393-V581 HydrophobicContact CD2-CB 4.3Å; Y393-V581 HydrophobicContact CD2-CG2 3.76Å; Y393-V581 HydrophobicContact CE2-CB 3.99Å; Y393-V581 HydrophobicContact CE2-CG2 3.86Å; H422-V581 HydrophobicContact CB-CG1 4.28Å; H422-V581 WeakPolarHBondContact O-CG1 3.35Å; T423-V581 HydrophobicContact CG2-CG1 3.64Å; L579-V581 HydrophobicContact CD2-CG2 3.69Å; L579-V581 HydrophobicContact CG-CG2 3.75Å; V581-S583 WeakPolarHBondContact CG1-OG 3.46Å; V581-S583 PolarHBondContact O-N 2.8Å; V581-S583 VanDerWaalsContact O-N 3.08Å; V581-A584 PolarHBondContact O-N 3.38Å; V581-A584 VanDerWaalsContact O-N 3.08Å; V581-F585 WeakPolarHBondContact O-CD2 3.36Å; V581-F590 VanDerWaalsContact C-CZ 3.5Å
582	P	96.9	Very high	97.1	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.026	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.6	-35.3	-173.9	-30.2	35.5	0	0	0	114.7	A545 A584 F585 S586 L587 K588 F590	A545-P582 WeakPolarHBondContact O-CD 3.41Å; A545-P582 WeakPolarHBondContact O-CG 3.15Å; P582-A584 VanDerWaalsContact C-N 3.34Å; P582-A584 PolarHBondContact O-N 2.8Å; P582-F585 CarbonylContact O-C 3.51Å; P582-F585 WeakPolarHBondContact O-CA 3.38Å; P582-F585 PolarHBondContact O-N 2.89Å; P582-S586 PolarHBondContact O-N 2.79Å; P582-L587 CarbonylContact C-O 3.6Å; P582-L587 HydrophobicContact CB-CB 3.95Å; P582-L587 VanDerWaalsContact CB-O 3.27Å; P582-L587 WeakPolarHBondContact CB-O 3.27Å; P582-L587 PolarHBondContact O-N 2.58Å; P582-K588 VanDerWaalsContact CB-C 3.48Å; P582-K588 WeakPolarHBondContact CB-O 3.49Å; P582-F590 HydrophobicContact CB-CE1 4.45Å; P582-F590 HydrophobicContact CB-CE2 4.49Å; P582-F590 HydrophobicContact CB-CZ 4.36Å; P582-F590 HydrophobicContact CG-CD2 3.85Å; P582-F590 HydrophobicContact CG-CE2 3.75Å; P582-F590 HydrophobicContact CG-CG 4.29Å; P582-F590 HydrophobicContact CG-CZ 4.1Å
583	S	95.9	Very high	96.5	Very high	48 Å²	48	27.6 Å²	27.6	34%	0.336	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-58.1	-39.6	179	51.6	0	0	0	0	113.5	H422 V581 F585 S586 L587	H422-S583 PolarHBondContact O-OG 3.32Å; V581-S583 WeakPolarHBondContact CG1-OG 3.46Å; V581-S583 PolarHBondContact O-N 2.8Å; V581-S583 VanDerWaalsContact O-N 3.08Å; S583-F585 PolarHBondContact O-N 3.18Å; S583-S586 PolarHBondContact O-N 2.94Å; S583-L587 PolarHBondContact N-O 3.01Å
584	A	97.1	Very high	95.6	Very high	19 Å²	19	33.1 Å²	33.1	16%	0.157	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.1	175.8	0	0	0	0	0	113.5	T357 R391 Y393 V581 P582	T357-A584 HydrophobicContact CG2-CB 4.02Å; R391-A584 WeakPolarHBondContact CD-O 3.39Å; R391-A584 VanDerWaalsContact O-CB 3.3Å; R391-A584 WeakPolarHBondContact O-CB 3.24Å; Y393-A584 HydrophobicContact CE2-CB 4.04Å; V581-A584 PolarHBondContact O-N 3.38Å; V581-A584 VanDerWaalsContact O-N 3.08Å; P582-A584 VanDerWaalsContact C-N 3.34Å; P582-A584 PolarHBondContact O-N 2.8Å
585	F	95.7	Very high	94.5	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.079	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-109.8	9.4	174.2	-62.3	-94.5	0	0	0	112.7	T202 Y203 R391 V392 Y580 V581 P582 S583 L587 F590	T202-F585 HydrophobicContact CG2-CD1 4.12Å; T202-F585 WeakPolarHBondContact O-CE1 3.34Å; Y203-F585 HydrophobicContact CD1-CD1 4.26Å; Y203-F585 HydrophobicContact CD1-CE1 4.08Å; Y203-F585 HydrophobicContact CD1-CZ 4.45Å; Y203-F585 HydrophobicContact CE1-CD1 4.26Å; R391-F585 HydrophobicContact CB-CD1 4.3Å; R391-F585 HydrophobicContact CB-CE1 3.69Å; R391-F585 HydrophobicContact CB-CE2 4.04Å; R391-F585 HydrophobicContact CB-CZ 3.54Å; R391-F585 HydrophobicContact CG-CE1 4.5Å; R391-F585 WeakPolarHBondContact O-CE2 3.32Å; V392-F585 HydrophobicContact CG1-CZ 4.28Å; Y580-F585 AromaticContact CD1-CE2 3.91Å; Y580-F585 HydrophobicContact CD1-CE2 3.91Å; Y580-F585 AromaticContact CD1-CZ 3.72Å; Y580-F585 HydrophobicContact CD1-CZ 3.72Å; Y580-F585 HydrophobicContact CE1-CZ 4.16Å; V581-F585 WeakPolarHBondContact O-CD2 3.36Å; P582-F585 CarbonylContact O-C 3.51Å; P582-F585 WeakPolarHBondContact O-CA 3.38Å; P582-F585 PolarHBondContact O-N 2.89Å; S583-F585 PolarHBondContact O-N 3.18Å; F585-L587 VanDerWaalsContact C-N 3.26Å; F585-L587 HydrophobicContact CB-CD1 4.32Å; F585-L587 HydrophobicContact CB-CG 4.45Å; F585-L587 PolarHBondContact O-N 3.42Å; F585-F590 HydrophobicContact CB-CE1 3.98Å; F585-F590 AromaticContact CD2-CE1 3.66Å; F585-F590 HydrophobicContact CD2-CE1 3.66Å; F585-F590 AromaticContact CD2-CZ 3.64Å; F585-F590 HydrophobicContact CD2-CZ 3.64Å; F585-F590 HydrophobicContact CE2-CE1 4.39Å; F585-F590 HydrophobicContact CE2-CZ 4.09Å; F585-F590 AromaticContact CG-CE1 3.87Å; F585-F590 HydrophobicContact CG-CE1 3.87Å; F585-F590 HydrophobicContact CG-CZ 4.33Å
586	S	94.6	Very high	93.2	Very high	106 Å²	106	37.4 Å²	37.4	74%	0.741	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	26.5	-175.8	-47.7	0	0	0	0	114.5	P582 S583	P582-S586 PolarHBondContact O-N 2.79Å; S583-S586 PolarHBondContact O-N 2.94Å
587	L	94.5	Very high	91.9	Very high	68 Å²	68	38.4 Å²	38.4	36%	0.356	22%	0.219	S	C	.	.			trans	-111.7	162.1	179	-63.3	174.1	0	0	0	111.6	P582 S583 F585 F590	P582-L587 CarbonylContact C-O 3.6Å; P582-L587 HydrophobicContact CB-CB 3.95Å; P582-L587 VanDerWaalsContact CB-O 3.27Å; P582-L587 WeakPolarHBondContact CB-O 3.27Å; P582-L587 PolarHBondContact O-N 2.58Å; S583-L587 PolarHBondContact N-O 3.01Å; F585-L587 VanDerWaalsContact C-N 3.26Å; F585-L587 HydrophobicContact CB-CD1 4.32Å; F585-L587 HydrophobicContact CB-CG 4.45Å; F585-L587 PolarHBondContact O-N 3.42Å; L587-F590 HydrophobicContact CD1-CD1 3.75Å; L587-F590 HydrophobicContact CD1-CE1 4.15Å
588	K	93.4	Very high	90.1	Very high	190 Å²	190	40.4 Å²	40.4	83%	0.826	23%	0.231	S	C	*	.	S	Bend	trans	-88.8	-39.4	170.2	-67.2	-174.5	178.7	-178	0	112.2	P582	P582-K588 VanDerWaalsContact CB-C 3.48Å; P582-K588 WeakPolarHBondContact CB-O 3.49Å
589	T	95.9	Very high	87.9	Confident	27 Å²	27	45.8 Å²	45.8	17%	0.166	28%	0.276	C	S	.	.	S	Bend	trans	-143.3	154.5	178.7	45.2	0	0	0	0	107.3	I426 W432 Q543 L544	I426-T589 HydrophobicContact CD1-CG2 4.19Å; W432-T589 HydrophobicContact CH2-CG2 3.82Å; W432-T589 HydrophobicContact CZ3-CG2 4.33Å; Q543-T589 PolarHBondContact OE1-OG1 3.37Å; L544-T589 CarbonylContact O-C 3.36Å; L544-T589 WeakPolarHBondContact O-CA 3.39Å; L544-T589 WeakPolarHBondContact O-CB 3.11Å
590	F	96.3	Very high	85.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126	166.4	-56.1	-67.3	0	0	0	108.8	Y203 Q543 L544 V581 P582 F585 L587 F607	Y203-F590 HydrophobicContact CD1-CE1 4.43Å; Y203-F590 AromaticContact CE1-CD1 3.66Å; Y203-F590 HydrophobicContact CE1-CD1 3.66Å; Y203-F590 AromaticContact CE1-CE1 3.66Å; Y203-F590 HydrophobicContact CE1-CE1 3.66Å; Q543-F590 CarbonylContact C-O 3.59Å; Q543-F590 WeakPolarHBondContact CA-O 3.35Å; L544-F590 HydrophobicContact CB-CB 4.25Å; L544-F590 HydrophobicContact CB-CD2 4.28Å; L544-F590 PolarHBondContact N-O 2.72Å; L544-F590 PolarHBondContact O-N 2.65Å; V581-F590 VanDerWaalsContact C-CZ 3.5Å; P582-F590 HydrophobicContact CB-CE1 4.45Å; P582-F590 HydrophobicContact CB-CE2 4.49Å; P582-F590 HydrophobicContact CB-CZ 4.36Å; P582-F590 HydrophobicContact CG-CD2 3.85Å; P582-F590 HydrophobicContact CG-CE2 3.75Å; P582-F590 HydrophobicContact CG-CG 4.29Å; P582-F590 HydrophobicContact CG-CZ 4.1Å; F585-F590 HydrophobicContact CB-CE1 3.98Å; F585-F590 AromaticContact CD2-CE1 3.66Å; F585-F590 HydrophobicContact CD2-CE1 3.66Å; F585-F590 AromaticContact CD2-CZ 3.64Å; F585-F590 HydrophobicContact CD2-CZ 3.64Å; F585-F590 HydrophobicContact CE2-CE1 4.39Å; F585-F590 HydrophobicContact CE2-CZ 4.09Å; F585-F590 AromaticContact CG-CE1 3.87Å; F585-F590 HydrophobicContact CG-CE1 3.87Å; F585-F590 HydrophobicContact CG-CZ 4.33Å; L587-F590 HydrophobicContact CD1-CD1 3.75Å; L587-F590 HydrophobicContact CD1-CE1 4.15Å; F590-F607 HydrophobicContact CB-CB 4Å; F590-F607 HydrophobicContact CG-CB 4.48Å; F590-F607 HydrophobicContact CG-CD2 4.5Å
591	P	95.6	Very high	83.4	Confident	56 Å²	56	55.8 Å²	55.8	36%	0.364	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	148	161.7	26.6	-28.2	0	0	0	108.9	G606 F607	P591-G606 CarbonylContact O-C 3.42Å; P591-G606 WeakPolarHBondContact O-CA 3.49Å; P591-F607 PolarHBondContact O-N 2.66Å
592	I	94.3	Very high	81	Confident	13 Å²	13	59.1 Å²	59.1	7%	0.067	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-87.6	133.4	178.4	-68.3	165.5	0	0	0	109.2	V537 S541 T542 L544 T594 V609 L613	V537-I592 HydrophobicContact CG1-CD1 4.1Å; S541-I592 WeakPolarHBondContact O-CD1 3.41Å; T542-I592 PolarHBondContact O-N 3.08Å; L544-I592 HydrophobicContact CD1-CG1 4.27Å; L544-I592 HydrophobicContact CD2-CD1 3.7Å; L544-I592 HydrophobicContact CD2-CG1 3.96Å; L544-I592 HydrophobicContact CG-CD1 4.01Å; L544-I592 HydrophobicContact CG-CG1 3.71Å; I592-T594 PolarHBondContact O-N 2.89Å; I592-V609 HydrophobicContact CD1-CG2 4.5Å; I592-V609 HydrophobicContact CG1-CG2 4.14Å; I592-V609 HydrophobicContact CG2-CB 4.33Å; I592-V609 HydrophobicContact CG2-CG2 3.93Å; I592-L613 HydrophobicContact CD1-CD1 3.78Å
593	D	87.3	Confident	78.9	Confident	12 Å²	12	63 Å²	63	6%	0.064	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.8	130.7	-179.1	-166.5	-10.1	0	0	0	111.2	R521 N595 T604 F607 P608	R521-D593 PolarHBondContact NH2-O 2.81Å; D593-N595 PolarHBondContact OD1-N 3.12Å; D593-T604 WeakPolarHBondContact OD1-CG2 3.38Å; D593-T604 WeakPolarHBondContact OD2-CB 3.37Å; D593-T604 WeakPolarHBondContact OD2-CG2 3.3Å; D593-T604 PolarHBondContact OD2-OG1 2.61Å; D593-F607 PolarHBondContact N-O 2.96Å; D593-P608 HydrophobicContact CB-CB 4.43Å
594	T	78.9	Confident	77.1	Confident	119 Å²	119	63.1 Å²	63.1	73%	0.73	40%	0.395	S	S	*	.	S	Bend	trans	-53	-46.6	166.1	127.8	0	0	0	0	113.4	R521 I592	R521-T594 VanDerWaalsContact NH2-C 3.27Å; R521-T594 VanDerWaalsContact NH2-CB 3.26Å; R521-T594 PolarHBondContact NH2-O 3.1Å; I592-T594 PolarHBondContact O-N 2.89Å
595	N	75.6	Confident	75.9	Confident	84 Å²	84	70.4 Å²	70.4	45%	0.449	42%	0.424	S	S	.	.			trans	-148.1	82.4	-162.2	-175.1	24.2	0	0	0	111.7	D593 F597 P598	D593-N595 PolarHBondContact OD1-N 3.12Å; N595-F597 PolarHBondContact O-N 2.86Å; N595-P598 WeakPolarHBondContact O-CD 3.23Å
596	P	71.5	Confident	75.6	Confident	21 Å²	21	69.8 Å²	69.8	14%	0.136	42%	0.423	C	S	.	.	S	Bend	trans	-67.3	-3.2	-170.9	28.5	-37.4	0	0	0	115.4	T522 P608	T522-P596 HydrophobicContact CG2-CB 4.46Å; T522-P596 HydrophobicContact CG2-CG 3.62Å; P596-P608 HydrophobicContact CB-CB 3.6Å
597	F	72.9	Confident	75.6	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.096	39%	0.388	C	S	.	.	S	Bend	trans	-131.5	75.3	171	-59.5	-63.3	0	0	0	109.3	L207 K216 F217 S219 A221 T522 N595	L207-F597 HydrophobicContact CB-CZ 4.36Å; L207-F597 HydrophobicContact CD1-CZ 4.1Å; L207-F597 HydrophobicContact CG-CZ 4.45Å; K216-F597 WeakPolarHBondContact O-CB 3.32Å; F217-F597 HydrophobicContact CD1-CD2 4.43Å; S219-F597 WeakPolarHBondContact O-CD1 3.4Å; A221-F597 HydrophobicContact CB-CE1 4.18Å; T522-F597 HydrophobicContact CG2-CE2 3.91Å; N595-F597 PolarHBondContact O-N 2.86Å
598	P	61.8	Low	75.6	Confident	41 Å²	41	62.5 Å²	62.5	27%	0.266	38%	0.377	S	S	.	.			trans	-68.1	140.6	-177.4	29.7	-34.6	0	0	0	111.1	N595 S600 T604	N595-P598 WeakPolarHBondContact O-CD 3.23Å; P598-S600 WeakPolarHBondContact CB-O 3.45Å; P598-S600 PolarHBondContact O-N 2.78Å; P598-T604 HydrophobicContact CG-CG2 4.39Å
599	A	51.2	Low	75.7	Confident	113 Å²	113	53.8 Å²	53.8	93%	0.934	34%	0.339	S	S	*	.	S	Bend	trans	-73.9	-4.5	-179.9	0	0	0	0	0	113.8
600	S	52.4	Low	75.7	Confident	78 Å²	78	52.5 Å²	52.5	55%	0.545	33%	0.332	S	S	.	.	S	Bend	trans	-139.7	156.8	176.4	56.9	0	0	0	0	109.6	P598 S602	P598-S600 WeakPolarHBondContact CB-O 3.45Å; P598-S600 PolarHBondContact O-N 2.78Å; S600-S602 PolarHBondContact O-N 3.38Å
601	S	51.8	Low	75.7	Confident	132 Å²	132	52.5 Å²	52.5	92%	0.923	33%	0.332	S	S	*	.			trans	-76.9	37.2	-176.9	61.4	0	0	0	0	113.9
602	S	48.4	Very low	75.8	Confident	70 Å²	70	50.2 Å²	50.2	49%	0.49	32%	0.316	S	S	.	.			trans	-75.8	123.1	168	56.1	0	0	0	0	109.2	S600 T604	S600-S602 PolarHBondContact O-N 3.38Å; S602-T604 PolarHBondContact O-N 2.64Å; S602-T604 VanDerWaalsContact O-N 3.1Å
603	S	51.9	Low	75.9	Confident	87 Å²	87	50.9 Å²	50.9	61%	0.608	32%	0.32	S	S	*	.			trans	-60	112.1	175.7	53.4	0	0	0	0	110.9	F605	S603-F605 PolarHBondContact O-N 3.41Å
604	T	58.6	Low	76.3	Confident	49 Å²	49	54.5 Å²	54.5	30%	0.301	34%	0.344	S	S	.	.			trans	-72.5	127.9	169.3	50.7	0	0	0	0	109.2	D593 P598 S602 G606	D593-T604 WeakPolarHBondContact OD1-CG2 3.38Å; D593-T604 WeakPolarHBondContact OD2-CB 3.37Å; D593-T604 WeakPolarHBondContact OD2-CG2 3.3Å; D593-T604 PolarHBondContact OD2-OG1 2.61Å; P598-T604 HydrophobicContact CG-CG2 4.39Å; S602-T604 PolarHBondContact O-N 2.64Å; S602-T604 VanDerWaalsContact O-N 3.1Å; T604-G606 VanDerWaalsContact C-N 3.29Å
605	F	72	Confident	77.2	Confident	172 Å²	172	49.6 Å²	49.6	75%	0.754	31%	0.314	S	S	*	.			trans	-78.6	-16	-178.3	-70.1	-88.2	0	0	0	112.8	Y203 S603	Y203-F605 PolarHBondContact OH-O 2.81Å; S603-F605 PolarHBondContact O-N 3.41Å
606	G	89.4	Confident	78.3	Confident	6 Å²	6	48.6 Å²	48.6	6%	0.062	31%	0.311	C	S	.	.	S	Bend	trans	-90.2	160.1	-177.1	0	0	0	0	0	114.3	Y203 P591 T604	Y203-G606 WeakPolarHBondContact CE2-O 3.41Å; P591-G606 CarbonylContact O-C 3.42Å; P591-G606 WeakPolarHBondContact O-CA 3.49Å; T604-G606 VanDerWaalsContact C-N 3.29Å
607	F	94.2	Very high	79.5	Confident	0 Å²	0	51 Å²	51	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-77.3	125.5	175.8	-164.9	-82.4	0	0	0	110.6	Y203 F205 L544 F547 Y580 F590 P591 D593 V609	Y203-F607 AromaticContact CD1-CD2 3.65Å; Y203-F607 HydrophobicContact CD1-CD2 3.65Å; Y203-F607 AromaticContact CD1-CE2 3.96Å; Y203-F607 HydrophobicContact CD1-CE2 3.96Å; Y203-F607 HydrophobicContact CD2-CD2 4.22Å; Y203-F607 AromaticContact CE1-CD2 3.94Å; Y203-F607 HydrophobicContact CE1-CD2 3.94Å; Y203-F607 HydrophobicContact CE2-CD2 4.48Å; Y203-F607 AromaticContact CG-CD2 3.8Å; Y203-F607 HydrophobicContact CG-CD2 3.8Å; Y203-F607 HydrophobicContact CG-CE2 4.02Å; F205-F607 HydrophobicContact CB-CZ 4.45Å; F205-F607 HydrophobicContact CD1-CE1 4.14Å; F205-F607 HydrophobicContact CD1-CZ 4.25Å; F205-F607 HydrophobicContact CG-CZ 4.42Å; L544-F607 HydrophobicContact CD1-CB 3.94Å; L544-F607 HydrophobicContact CD1-CD1 3.8Å; L544-F607 HydrophobicContact CD1-CG 3.95Å; F547-F607 HydrophobicContact CB-CE1 4.08Å; F547-F607 HydrophobicContact CB-CZ 4.07Å; F547-F607 AromaticContact CD1-CE1 3.39Å; F547-F607 HydrophobicContact CD1-CE1 3.39Å; F547-F607 HydrophobicContact CD1-CE2 4.38Å; F547-F607 AromaticContact CD1-CZ 3.31Å; F547-F607 HydrophobicContact CD1-CZ 3.31Å; F547-F607 HydrophobicContact CD2-CD1 4.26Å; F547-F607 AromaticContact CD2-CE1 3.74Å; F547-F607 HydrophobicContact CD2-CE1 3.74Å; F547-F607 HydrophobicContact CD2-CZ 4.43Å; F547-F607 AromaticContact CE1-CE1 3.59Å; F547-F607 HydrophobicContact CE1-CE1 3.59Å; F547-F607 AromaticContact CE1-CZ 3.73Å; F547-F607 HydrophobicContact CE1-CZ 3.73Å; F547-F607 AromaticContact CE2-CE1 3.93Å; F547-F607 HydrophobicContact CE2-CE1 3.93Å; F547-F607 HydrophobicContact CG-CD1 4.21Å; F547-F607 AromaticContact CG-CE1 3.46Å; F547-F607 HydrophobicContact CG-CE1 3.46Å; F547-F607 VanDerWaalsContact CG-CE1 3.46Å; F547-F607 AromaticContact CG-CZ 3.7Å; F547-F607 HydrophobicContact CG-CZ 3.7Å; F547-F607 AromaticContact CZ-CE1 3.85Å; F547-F607 HydrophobicContact CZ-CE1 3.85Å; F547-F607 HydrophobicContact CZ-CZ 4.45Å; Y580-F607 AromaticContact CD1-CE2 3.66Å; Y580-F607 HydrophobicContact CD1-CE2 3.66Å; Y580-F607 HydrophobicContact CD1-CZ 4.39Å; Y580-F607 AromaticContact CD2-CE2 3.98Å; Y580-F607 HydrophobicContact CD2-CE2 3.98Å; Y580-F607 AromaticContact CD2-CZ 3.93Å; Y580-F607 HydrophobicContact CD2-CZ 3.93Å; Y580-F607 AromaticContact CE1-CE2 3.97Å; Y580-F607 HydrophobicContact CE1-CE2 3.97Å; Y580-F607 HydrophobicContact CE2-CE2 4.27Å; Y580-F607 HydrophobicContact CE2-CZ 4.06Å; Y580-F607 AromaticContact CG-CE2 3.65Å; Y580-F607 HydrophobicContact CG-CE2 3.65Å; Y580-F607 HydrophobicContact CG-CZ 4.09Å; F590-F607 HydrophobicContact CB-CB 4Å; F590-F607 HydrophobicContact CG-CB 4.48Å; F590-F607 HydrophobicContact CG-CD2 4.5Å; P591-F607 PolarHBondContact O-N 2.66Å; D593-F607 PolarHBondContact N-O 2.96Å; F607-V609 HydrophobicContact CD1-CG2 4.32Å; F607-V609 PolarHBondContact O-N 3.01Å
608	P	93.3	Very high	80.8	Confident	21 Å²	21	51.7 Å²	51.7	14%	0.136	33%	0.331	C	S	.	.			trans	-79.9	82.4	-175.3	28.8	-31	0	0	0	112.1	F205 D593 P596	F205-P608 HydrophobicContact CD1-CG 4.24Å; F205-P608 WeakPolarHBondContact CE1-O 3.22Å; D593-P608 HydrophobicContact CB-CB 4.43Å; P596-P608 HydrophobicContact CB-CB 3.6Å
609	V	96.4	Very high	82.4	Confident	6 Å²	6	52 Å²	52	4%	0.036	33%	0.334	C	S	.	.			trans	-62	129	174.6	178.1	0	0	0	0	110.2	M535 L544 I592 F607 F611 L613	M535-V609 HydrophobicContact CE-CG1 3.88Å; M535-V609 HydrophobicContact SD-CG1 4.26Å; M535-V609 HydrophobicContact SD-CG2 4.34Å; L544-V609 HydrophobicContact CD1-CG2 3.89Å; L544-V609 HydrophobicContact CD2-CG2 4.35Å; I592-V609 HydrophobicContact CD1-CG2 4.5Å; I592-V609 HydrophobicContact CG1-CG2 4.14Å; I592-V609 HydrophobicContact CG2-CB 4.33Å; I592-V609 HydrophobicContact CG2-CG2 3.93Å; F607-V609 HydrophobicContact CD1-CG2 4.32Å; F607-V609 PolarHBondContact O-N 3.01Å; V609-F611 VanDerWaalsContact C-N 3.31Å; V609-F611 HydrophobicContact CG1-CD2 4.39Å; V609-F611 HydrophobicContact CG1-CE2 4.44Å; V609-F611 PolarHBondContact O-N 2.76Å; V609-L613 HydrophobicContact CG1-CD1 3.96Å; V609-L613 HydrophobicContact CG1-CG 4.3Å; V609-L613 HydrophobicContact CG2-CD1 4.38Å
610	P	95.8	Very high	84.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-75.2	-11.2	-168.1	24.4	-31.9	0	0	0	116.1	F205 L207 T522 I531 T533	F205-P610 HydrophobicContact CE1-CG 4.5Å; F205-P610 HydrophobicContact CZ-CG 4.46Å; L207-P610 HydrophobicContact CD1-CB 3.87Å; L207-P610 HydrophobicContact CD2-CB 3.88Å; T522-P610 WeakPolarHBondContact CG2-O 3.37Å; T522-P610 PolarHBondContact OG1-O 2.78Å; I531-P610 HydrophobicContact CD1-CB 4.47Å; I531-P610 HydrophobicContact CD1-CG 4.1Å; T533-P610 HydrophobicContact CG2-CG 4.31Å
611	F	97.1	Very high	86.5	Confident	1 Å²	1	55.6 Å²	55.6	0%	0.004	34%	0.344	C	S	.	.	S	Bend	trans	-137.3	170.9	-175.2	50.5	-105.5	0	0	0	112.4	I435 Q437 L477 W517 K518 A519 T533 M535 V609 L613	I435-F611 HydrophobicContact CG2-CE2 4.16Å; I435-F611 HydrophobicContact CG2-CZ 4.22Å; Q437-F611 HydrophobicContact CB-CE1 3.77Å; Q437-F611 HydrophobicContact CB-CZ 3.91Å; Q437-F611 HydrophobicContact CG-CD1 4.34Å; Q437-F611 HydrophobicContact CG-CE1 3.76Å; Q437-F611 HydrophobicContact CG-CZ 4.31Å; L477-F611 HydrophobicContact CD2-CD1 4.48Å; L477-F611 HydrophobicContact CD2-CD2 3.55Å; L477-F611 HydrophobicContact CD2-CE1 4.42Å; L477-F611 HydrophobicContact CD2-CE2 3.47Å; L477-F611 VanDerWaalsContact CD2-CE2 3.47Å; L477-F611 HydrophobicContact CD2-CG 4.07Å; L477-F611 HydrophobicContact CD2-CZ 3.93Å; W517-F611 HydrophobicContact CE3-CB 4.47Å; W517-F611 HydrophobicContact CH2-CB 4.02Å; W517-F611 HydrophobicContact CH2-CD1 4.13Å; W517-F611 HydrophobicContact CZ3-CB 3.82Å; W517-F611 AromaticContact CZ3-CD1 3.62Å; W517-F611 HydrophobicContact CZ3-CD1 3.62Å; W517-F611 HydrophobicContact CZ3-CG 4.06Å; K518-F611 WeakPolarHBondContact O-CB 3.42Å; A519-F611 HydrophobicContact CB-CB 4.01Å; T533-F611 WeakPolarHBondContact OG1-CE1 3.35Å; M535-F611 HydrophobicContact CE-CE2 3.41Å; M535-F611 VanDerWaalsContact CE-CE2 3.41Å; M535-F611 HydrophobicContact CE-CZ 3.46Å; M535-F611 VanDerWaalsContact CE-CZ 3.46Å; V609-F611 VanDerWaalsContact C-N 3.31Å; V609-F611 HydrophobicContact CG1-CD2 4.39Å; V609-F611 HydrophobicContact CG1-CE2 4.44Å; V609-F611 PolarHBondContact O-N 2.76Å; F611-L613 HydrophobicContact CD2-CD2 4.36Å; F611-L613 HydrophobicContact CE2-CD2 4.09Å
612	D	96.7	Very high	88.7	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.043	31%	0.305	C	S	.	.			trans	-72.2	142.9	-175.7	-59.7	-18.8	0	0	0	111.5	K518 R520 R521	K518-D612 HydrophobicContact CB-CB 4.39Å; K518-D612 WeakPolarHBondContact O-CB 3.15Å; K518-D612 PolarHBondContact O-N 2.92Å; R520-D612 IonicContact CZ-OD2 3.96Å; R520-D612 VanDerWaalsContact CZ-OD2 3.25Å; R520-D612 VanDerWaalsContact N-CG 3.32Å; R520-D612 PolarHBondContact N-OD1 2.85Å; R520-D612 PolarHBondContact N-OD2 3.32Å; R520-D612 VanDerWaalsContact N-OD2 3.12Å; R520-D612 IonicContact NE-OD2 3.8Å; R520-D612 PolarHBondContact NE-OD2 2.93Å; R520-D612 IonicContact NH2-OD2 3.07Å; R520-D612 PolarHBondContact NH2-OD2 2.84Å; R521-D612 WeakPolarHBondContact CG-OD1 3.43Å; R521-D612 PolarHBondContact N-OD1 3.34Å; R521-D612 VanDerWaalsContact N-OD1 3.1Å
613	L	96.5	Very high	91.1	Very high	26 Å²	26	52.3 Å²	52.3	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-127.8	147	173	-65	174.9	0	0	0	109.9	I435 M535 V537 I592 V609 F611 P615	I435-L613 HydrophobicContact CD1-CD2 3.52Å; M535-L613 HydrophobicContact CE-CD1 4.29Å; M535-L613 HydrophobicContact CE-CD2 3.95Å; V537-L613 HydrophobicContact CG1-CD1 4.22Å; I592-L613 HydrophobicContact CD1-CD1 3.78Å; V609-L613 HydrophobicContact CG1-CD1 3.96Å; V609-L613 HydrophobicContact CG1-CG 4.3Å; V609-L613 HydrophobicContact CG2-CD1 4.38Å; F611-L613 HydrophobicContact CD2-CD2 4.36Å; F611-L613 HydrophobicContact CE2-CD2 4.09Å; L613-P615 HydrophobicContact CD2-CG 4.09Å
614	P	96.6	Very high	93.3	Very high	88 Å²	88	48.2 Å²	48.2	57%	0.571	28%	0.278	S	S	*	.	S	Bend	cis	-65.5	155.3	-8.8	29.1	-35.9	0	0	0	112.2
615	P	97.6	Very high	95.2	Very high	17 Å²	17	45.9 Å²	45.9	11%	0.11	26%	0.264	C	S	.	.			trans	-58.8	141	178.6	-25.6	36.5	0	0	0	112.5	I435 H475 L477 H515 L613	I435-P615 HydrophobicContact CD1-CG 3.64Å; I435-P615 HydrophobicContact CG1-CG 4.38Å; I435-P615 HydrophobicContact CG2-CG 4.34Å; H475-P615 HydrophobicContact CB-CB 4.33Å; H475-P615 HydrophobicContact CB-CG 4.07Å; L477-P615 HydrophobicContact CD1-CB 3.83Å; L477-P615 HydrophobicContact CD1-CG 3.84Å; L477-P615 HydrophobicContact CG-CB 4.33Å; H515-P615 HydrophobicContact CB-CB 3.91Å; L613-P615 HydrophobicContact CD2-CG 4.09Å
616	T	97.9	Very high	96.5	Very high	63 Å²	63	38.3 Å²	38.3	39%	0.387	23%	0.231	S	C	.	.			trans	-86.8	113.9	175	-53.7	0	0	0	0	109.6	H515 R516	H515-T616 CarbonylContact C-O 3.58Å; H515-T616 VanDerWaalsContact CA-O 3.26Å; H515-T616 WeakPolarHBondContact CA-O 3.26Å; H515-T616 WeakPolarHBondContact CB-O 3.34Å; R516-T616 PolarHBondContact N-O 2.89Å
617	S	97.9	Very high	96.9	Very high	71 Å²	71	39.8 Å²	39.8	50%	0.497	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-61	157.1	178	-44.5	0	0	0	0	112.2	H515	H515-S617 WeakPolarHBondContact CD2-CA 3.18Å; H515-S617 PolarHBondContact CD2-N 3.07Å; H515-S617 VanDerWaalsContact CD2-N 3.34Å; H515-S617 PolarHBondContact CD2-OG 2.99Å; H515-S617 PolarHBondContact NE2-OG 3.44Å
618	Y	98.4	Very high	97	Very high	36 Å²	36	41.6 Å²	41.6	14%	0.141	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.2	140.6	170.4	-85.9	27.2	0	0	0	111.2	Y478 P479 S480 F514 H515 R516 D622 P624	Y478-Y618 WeakPolarHBondContact O-CE1 3.22Å; Y478-Y618 PolarHBondContact O-OH 3.23Å; P479-Y618 PolarHBondContact O-OH 3.11Å; S480-Y618 WeakPolarHBondContact CA-OH 3.22Å; S480-Y618 PolarHBondContact N-OH 3.28Å; F514-Y618 HydrophobicContact CB-CD1 3.92Å; F514-Y618 HydrophobicContact CB-CD2 3.84Å; F514-Y618 HydrophobicContact CB-CE1 3.78Å; F514-Y618 HydrophobicContact CB-CE2 3.68Å; F514-Y618 HydrophobicContact CB-CG 3.95Å; F514-Y618 AromaticContact CD2-CE2 3.89Å; F514-Y618 HydrophobicContact CD2-CE2 3.89Å; F514-Y618 HydrophobicContact CG-CE2 4.28Å; F514-Y618 WeakPolarHBondContact O-CD1 3.4Å; F514-Y618 PolarHBondContact O-N 2.81Å; H515-Y618 VanDerWaalsContact C-CE1 3.49Å; R516-Y618 HydrophobicContact CG-CD1 4.07Å; R516-Y618 HydrophobicContact CG-CE1 4.47Å; Y618-D622 HydrophobicContact CD1-CB 4.45Å; Y618-D622 HydrophobicContact CD2-CB 3.61Å; Y618-D622 HydrophobicContact CE2-CB 4.32Å; Y618-D622 HydrophobicContact CG-CB 3.69Å; Y618-P624 HydrophobicContact CE2-CB 4.29Å
619	S	96.8	Very high	97.3	Very high	48 Å²	48	42.9 Å²	42.9	34%	0.336	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-74	163	167.3	68.2	0	0	0	0	111.1	T621 D622	S619-T621 PolarHBondContact O-N 2.84Å; S619-T621 PolarHBondContact OG-OG1 2.92Å; S619-T621 VanDerWaalsContact OG-OG1 3.07Å; S619-D622 VanDerWaalsContact CB-OD2 3.3Å; S619-D622 WeakPolarHBondContact CB-OD2 3.21Å; S619-D622 PolarHBondContact N-OD2 2.72Å; S619-D622 WeakPolarHBondContact O-CB 3.48Å; S619-D622 PolarHBondContact O-N 2.98Å; S619-D622 VanDerWaalsContact OG-CG 3.22Å; S619-D622 PolarHBondContact OG-N 3.41Å; S619-D622 PolarHBondContact OG-OD2 3.4Å
620	P	94.8	Very high	97.3	Very high	141 Å²	141	46.5 Å²	46.5	92%	0.916	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.3	176.6	-24.9	35.1	0	0	0	115
621	T	95.4	Very high	97.4	Very high	125 Å²	125	48 Å²	48	77%	0.767	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-12	176.1	41.7	0	0	0	0	113.8	S619	S619-T621 PolarHBondContact O-N 2.84Å; S619-T621 PolarHBondContact OG-OG1 2.92Å; S619-T621 VanDerWaalsContact OG-OG1 3.07Å
622	D	97.7	Very high	97.3	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.107	31%	0.306	C	S	.	.			trans	-70.9	141.5	179	-82	-60.1	0	0	0	111.5	R516 Y618 S619	R516-D622 IonicContact CZ-OD1 2.9Å; R516-D622 IonicContact NE-OD1 2.74Å; R516-D622 IonicContact NH1-OD1 3.09Å; R516-D622 PolarHBondContact NH1-OD1 2.88Å; R516-D622 IonicContact NH1-OD2 3.64Å; R516-D622 PolarHBondContact NH1-OD2 3.4Å; Y618-D622 HydrophobicContact CD1-CB 4.45Å; Y618-D622 HydrophobicContact CD2-CB 3.61Å; Y618-D622 HydrophobicContact CE2-CB 4.32Å; Y618-D622 HydrophobicContact CG-CB 3.69Å; S619-D622 VanDerWaalsContact CB-OD2 3.3Å; S619-D622 WeakPolarHBondContact CB-OD2 3.21Å; S619-D622 PolarHBondContact N-OD2 2.72Å; S619-D622 WeakPolarHBondContact O-CB 3.48Å; S619-D622 PolarHBondContact O-N 2.98Å; S619-D622 VanDerWaalsContact OG-CG 3.22Å; S619-D622 PolarHBondContact OG-N 3.41Å; S619-D622 PolarHBondContact OG-OD2 3.4Å
623	Q	97.6	Very high	97.3	Very high	113 Å²	113	60.6 Å²	60.6	53%	0.528	35%	0.347	S	S	.	.			trans	-124	144.1	171.5	-65.2	-62.4	-66.2	0	0	108.7	S480 V481	S480-Q623 CarbonylContact C-O 3.58Å; S480-Q623 WeakPolarHBondContact CA-O 3.3Å; S480-Q623 WeakPolarHBondContact CB-O 3.47Å; V481-Q623 HydrophobicContact CG2-CB 4.01Å; V481-Q623 PolarHBondContact N-O 3.38Å
624	P	98.4	Very high	97.3	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.013	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-63.7	149.8	172.1	28.3	-34.2	0	0	0	109.9	Y478 V481 Y499 F514 Y618 I626	Y478-P624 HydrophobicContact CD1-CB 3.98Å; Y478-P624 HydrophobicContact CE1-CB 4Å; V481-P624 WeakPolarHBondContact CG2-O 3.22Å; Y499-P624 HydrophobicContact CD1-CB 4.43Å; Y499-P624 HydrophobicContact CE1-CB 4.34Å; Y499-P624 HydrophobicContact CE1-CG 4.35Å; F514-P624 HydrophobicContact CD2-CB 3.87Å; F514-P624 HydrophobicContact CD2-CG 4.28Å; F514-P624 HydrophobicContact CE2-CB 3.65Å; F514-P624 HydrophobicContact CE2-CG 3.98Å; Y618-P624 HydrophobicContact CE2-CB 4.29Å; P624-I626 HydrophobicContact CG-CD1 4.48Å; P624-I626 HydrophobicContact CG-CG1 4.49Å; P624-I626 PolarHBondContact O-N 2.78Å
625	W	98.8	Very high	97.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.357	C	S	.	.			trans	-60.7	130.3	167.1	176.7	-99.9	0	0	0	110.9	Y478 P479 V484 Y491 G494 L497 W627 Y631 W642	Y478-W625 HydrophobicContact CE1-CB 4.1Å; Y478-W625 WeakPolarHBondContact CE1-O 3.11Å; Y478-W625 PolarHBondContact OH-O 3.39Å; Y478-W625 VanDerWaalsContact OH-O 3.07Å; P479-W625 WeakPolarHBondContact O-CB 3.19Å; P479-W625 PolarHBondContact O-N 2.73Å; V484-W625 HydrophobicContact CB-CD2 4.23Å; V484-W625 HydrophobicContact CB-CE3 3.8Å; V484-W625 HydrophobicContact CB-CZ3 4.28Å; V484-W625 HydrophobicContact CG1-CD2 4.08Å; V484-W625 HydrophobicContact CG1-CE3 3.78Å; V484-W625 HydrophobicContact CG1-CH2 4.28Å; V484-W625 HydrophobicContact CG1-CZ3 3.89Å; V484-W625 HydrophobicContact CG2-CB 3.93Å; V484-W625 HydrophobicContact CG2-CD2 3.97Å; V484-W625 HydrophobicContact CG2-CE3 4.01Å; V484-W625 HydrophobicContact CG2-CG 3.92Å; Y491-W625 AromaticContact CD1-CH2 3.85Å; Y491-W625 HydrophobicContact CD1-CH2 3.85Å; Y491-W625 AromaticContact CD1-CZ3 3.52Å; Y491-W625 HydrophobicContact CD1-CZ3 3.52Å; Y491-W625 AromaticContact CE1-CZ3 3.92Å; Y491-W625 HydrophobicContact CE1-CZ3 3.92Å; G494-W625 VanDerWaalsContact CA-CZ2 3.46Å; G494-W625 PolarHBondContact O-NE1 2.9Å; L497-W625 VanDerWaalsContact CB-CD1 3.47Å; L497-W625 HydrophobicContact CB-CG 4.36Å; L497-W625 HydrophobicContact CD1-CG 4.47Å; L497-W625 VanDerWaalsContact O-CD1 3.25Å; W625-W627 HydrophobicContact CZ2-CB 4.39Å; W625-Y631 HydrophobicContact CD2-CE2 4.24Å; W625-Y631 HydrophobicContact CE3-CD2 4.08Å; W625-Y631 AromaticContact CE3-CE2 3.55Å; W625-Y631 HydrophobicContact CE3-CE2 3.55Å; W625-Y631 AromaticContact CH2-CD2 3.6Å; W625-Y631 HydrophobicContact CH2-CD2 3.6Å; W625-Y631 AromaticContact CH2-CE2 3.6Å; W625-Y631 HydrophobicContact CH2-CE2 3.6Å; W625-Y631 HydrophobicContact CZ2-CE2 4.24Å; W625-Y631 AromaticContact CZ3-CD2 3.27Å; W625-Y631 HydrophobicContact CZ3-CD2 3.27Å; W625-Y631 AromaticContact CZ3-CE2 3.19Å; W625-Y631 HydrophobicContact CZ3-CE2 3.19Å; W625-Y631 HydrophobicContact CZ3-CG 4.3Å; W625-W642 HydrophobicContact CH2-CB 4.24Å; W625-W642 AromaticContact CH2-CD1 3.59Å; W625-W642 AromaticContact CH2-CD2 3.9Å; W625-W642 HydrophobicContact CH2-CD2 3.9Å; W625-W642 AromaticContact CH2-CE2 3.99Å; W625-W642 AromaticContact CH2-CG 3.67Å; W625-W642 HydrophobicContact CH2-CG 3.67Å; W625-W642 AromaticContact CH2-NE1 3.79Å; W625-W642 HydrophobicContact CZ2-CD2 4.16Å; W625-W642 AromaticContact CZ2-CE2 3.81Å; W625-W642 HydrophobicContact CZ2-CG 4.3Å; W625-W642 HydrophobicContact CZ2-CZ2 4.25Å; W625-W642 AromaticContact CZ2-NE1 3.71Å
626	I	98.6	Very high	97.3	Very high	12 Å²	12	63 Å²	63	6%	0.062	35%	0.354	C	S	.	.			trans	-129.7	106.2	176.2	-64.1	177.3	0	0	0	107.3	Y499 I501 A504 P624 N628 I629 Y631	Y499-I626 HydrophobicContact CD1-CG1 4.27Å; Y499-I626 WeakPolarHBondContact O-CA 3.4Å; I501-I626 HydrophobicContact CB-CG2 3.78Å; I501-I626 HydrophobicContact CD1-CD1 3.95Å; I501-I626 HydrophobicContact CD1-CG2 4.34Å; A504-I626 HydrophobicContact CB-CD1 3.81Å; A504-I626 HydrophobicContact CB-CG1 4.41Å; P624-I626 HydrophobicContact CG-CD1 4.48Å; P624-I626 HydrophobicContact CG-CG1 4.49Å; P624-I626 PolarHBondContact O-N 2.78Å; I626-N628 VanDerWaalsContact C-N 3.26Å; I626-N628 PolarHBondContact O-N 2.76Å; I626-N628 VanDerWaalsContact O-N 3.15Å; I626-I629 HydrophobicContact CB-CD1 3.97Å; I626-I629 HydrophobicContact CB-CG1 3.98Å; I626-I629 HydrophobicContact CD1-CD1 4.44Å; I626-I629 HydrophobicContact CG2-CD1 4.13Å; I626-I629 HydrophobicContact CG2-CG1 3.94Å; I626-I629 HydrophobicContact CG2-CG2 4.24Å; I626-I629 WeakPolarHBondContact O-CG1 3.08Å; I626-I629 PolarHBondContact O-N 3.32Å; I626-Y631 PolarHBondContact N-OH 3.27Å; I626-Y631 WeakPolarHBondContact O-CE2 3.27Å; I626-Y631 PolarHBondContact O-OH 3.07Å
627	W	97.9	Very high	97.2	Very high	37 Å²	37	63.6 Å²	63.6	14%	0.14	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.4	-162.6	79.4	-78.7	0	0	0	114.9	W38 I40 Y499 W625 W642	W38-W627 HydrophobicContact CB-CH2 4.36Å; W38-W627 AromaticContact CD1-CZ3 3.89Å; I40-W627 HydrophobicContact CD1-CZ2 3.73Å; I40-W627 HydrophobicContact CG1-CZ2 3.92Å; Y499-W627 VanDerWaalsContact O-CD1 3.3Å; Y499-W627 PolarHBondContact O-N 2.68Å; W625-W627 HydrophobicContact CZ2-CB 4.39Å; W627-W642 WeakPolarHBondContact O-CZ2 3.31Å; W627-W642 PolarHBondContact O-NE1 2.74Å
628	N	97.6	Very high	97	Very high	38 Å²	38	64.7 Å²	64.7	20%	0.203	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	27.3	-175.7	71.9	-25.4	0	0	0	114.6	S500 I501 Q502 I626	S500-N628 WeakPolarHBondContact CA-OD1 3.41Å; I501-N628 PolarHBondContact N-OD1 3.26Å; Q502-N628 PolarHBondContact OE1-ND2 2.6Å; I626-N628 VanDerWaalsContact C-N 3.26Å; I626-N628 PolarHBondContact O-N 2.76Å; I626-N628 VanDerWaalsContact O-N 3.15Å
629	I	97.9	Very high	96.9	Very high	48 Å²	48	65.7 Å²	65.7	25%	0.246	38%	0.376	C	S	.	.	S	Bend	trans	-121.7	153.1	163	61.7	174.4	0	0	0	110.2	I501 I626 Y631	I501-I629 HydrophobicContact CB-CG2 3.72Å; I501-I629 HydrophobicContact CD1-CG2 4.28Å; I501-I629 HydrophobicContact CG1-CG2 3.88Å; I501-I629 HydrophobicContact CG2-CG2 3.95Å; I626-I629 HydrophobicContact CB-CD1 3.97Å; I626-I629 HydrophobicContact CB-CG1 3.98Å; I626-I629 HydrophobicContact CD1-CD1 4.44Å; I626-I629 HydrophobicContact CG2-CD1 4.13Å; I626-I629 HydrophobicContact CG2-CG1 3.94Å; I626-I629 HydrophobicContact CG2-CG2 4.24Å; I626-I629 WeakPolarHBondContact O-CG1 3.08Å; I626-I629 PolarHBondContact O-N 3.32Å; I629-Y631 HydrophobicContact CD1-CE1 4.13Å; I629-Y631 HydrophobicContact CG1-CE1 4.27Å; I629-Y631 HydrophobicContact CG1-CE2 4.16Å
630	P	97.7	Very high	96.8	Very high	82 Å²	82	66.4 Å²	66.4	53%	0.532	38%	0.377	S	S	.	.			trans	-77.1	143.8	179.8	30.7	-35.1	0	0	0	112.9	W642	P630-W642 CarbonylContact C-O 3.56Å; P630-W642 WeakPolarHBondContact CA-O 3.47Å; P630-W642 VanDerWaalsContact CA-O 3.23Å
631	Y	97.8	Very high	96.9	Very high	33 Å²	33	63.3 Å²	63.3	13%	0.129	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-122.9	101.3	168.7	-57	-75.3	0	0	0	109	V481 Y491 W625 I626 I629 V641 W642	V481-Y631 HydrophobicContact CB-CE1 4.28Å; V481-Y631 HydrophobicContact CG1-CD1 3.67Å; V481-Y631 HydrophobicContact CG1-CE1 3.73Å; V481-Y631 HydrophobicContact CG1-CG 4.12Å; V481-Y631 HydrophobicContact CG2-CD1 4.27Å; V481-Y631 HydrophobicContact CG2-CE1 3.45Å; V481-Y631 VanDerWaalsContact CG2-CE1 3.45Å; V481-Y631 WeakPolarHBondContact CG2-OH 3.3Å; Y491-Y631 HydrophobicContact CE1-CD2 4.35Å; Y491-Y631 HydrophobicContact CE1-CG 4.26Å; W625-Y631 HydrophobicContact CD2-CE2 4.24Å; W625-Y631 HydrophobicContact CE3-CD2 4.08Å; W625-Y631 AromaticContact CE3-CE2 3.55Å; W625-Y631 HydrophobicContact CE3-CE2 3.55Å; W625-Y631 AromaticContact CH2-CD2 3.6Å; W625-Y631 HydrophobicContact CH2-CD2 3.6Å; W625-Y631 AromaticContact CH2-CE2 3.6Å; W625-Y631 HydrophobicContact CH2-CE2 3.6Å; W625-Y631 HydrophobicContact CZ2-CE2 4.24Å; W625-Y631 AromaticContact CZ3-CD2 3.27Å; W625-Y631 HydrophobicContact CZ3-CD2 3.27Å; W625-Y631 AromaticContact CZ3-CE2 3.19Å; W625-Y631 HydrophobicContact CZ3-CE2 3.19Å; W625-Y631 HydrophobicContact CZ3-CG 4.3Å; I626-Y631 PolarHBondContact N-OH 3.27Å; I626-Y631 WeakPolarHBondContact O-CE2 3.27Å; I626-Y631 PolarHBondContact O-OH 3.07Å; I629-Y631 HydrophobicContact CD1-CE1 4.13Å; I629-Y631 HydrophobicContact CG1-CE1 4.27Å; I629-Y631 HydrophobicContact CG1-CE2 4.16Å; Y631-V641 WeakPolarHBondContact O-CB 3.17Å; Y631-W642 HydrophobicContact CD2-CB 4.06Å; Y631-W642 AromaticContact CD2-CD1 3.66Å; Y631-W642 HydrophobicContact CD2-CG 4.18Å; Y631-W642 PolarHBondContact N-O 2.9Å; Y631-W642 PolarHBondContact O-N 3.09Å
632	S	95.7	Very high	96.9	Very high	79 Å²	79	59.6 Å²	59.6	55%	0.552	33%	0.327	S	S	*	.			trans	-127.9	8.9	-171.8	58.1	0	0	0	0	114.5
633	Q	95	Very high	96.8	Very high	194 Å²	194	63.4 Å²	63.4	91%	0.907	35%	0.35	S	S	*	.	S	Bend	trans	-82.4	-38.8	-178.6	-65.3	177.6	-4.7	0	0	112.4
634	E	96.4	Very high	96.5	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.472	34%	0.336	S	S	.	.	S	Bend	trans	-129.2	149.5	175.1	-65.7	-167.9	180	0	0	109.8	R485 Y491	R485-E634 IonicContact CZ-OE2 3.53Å; R485-E634 IonicContact NE-OE2 2.75Å; R485-E634 PolarHBondContact NE-OE2 2.93Å; R485-E634 IonicContact NH1-OE2 2.76Å; R485-E634 PolarHBondContact NH1-OE2 3.41Å; R485-E634 IonicContact NH2-OE2 2.91Å; R485-E634 PolarHBondContact NH2-OE2 3.2Å; Y491-E634 PolarHBondContact OH-O 3.3Å
635	P	96.8	Very high	95.6	Very high	69 Å²	69	66.8 Å²	66.8	45%	0.448	39%	0.386	S	S	.	.			trans	-76.9	159	171.5	32.2	-34.4	0	0	0	112.2	R485 N640	R485-P635 WeakPolarHBondContact CD-O 3.23Å; R485-P635 WeakPolarHBondContact CG-O 3.27Å; R485-P635 PolarHBondContact NH1-O 3.02Å; P635-N640 CarbonylContact C-O 3.51Å; P635-N640 VanDerWaalsContact CA-O 3.28Å; P635-N640 WeakPolarHBondContact CA-O 3.1Å
636	D	97.6	Very high	95.4	Very high	11 Å²	11	70.1 Å²	70.1	6%	0.059	41%	0.405	C	S	.	.			trans	-80.7	-179	166.5	69.1	17.5	0	0	0	113.7	R485 Y491 H638 G639 N640	R485-D636 HydrophobicContact CG-CB 4.18Å; R485-D636 WeakPolarHBondContact O-CA 3.38Å; R485-D636 WeakPolarHBondContact O-CB 3.34Å; Y491-D636 HydrophobicContact CD2-CB 3.62Å; Y491-D636 HydrophobicContact CE2-CB 4.06Å; Y491-D636 HydrophobicContact CG-CB 4.04Å; Y491-D636 PolarHBondContact N-OD2 2.97Å; D636-H638 WeakPolarHBondContact OD1-CA 3.37Å; D636-H638 PolarHBondContact OD1-N 3.15Å; D636-H638 PolarHBondContact O-N 3.32Å; D636-G639 PolarHBondContact O-N 3.24Å; D636-G639 PolarHBondContact OD1-N 3.45Å; D636-G639 VanDerWaalsContact OD1-N 3.15Å; D636-N640 PolarHBondContact N-O 3.01Å; D636-N640 PolarHBondContact OD1-N 2.87Å
637	T	96.1	Very high	95.3	Very high	76 Å²	76	73.2 Å²	73.2	47%	0.466	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-14.8	176.4	45.3	0	0	0	0	115.2	R485 S487 G490	R485-T637 PolarHBondContact O-N 3.35Å; S487-T637 WeakPolarHBondContact O-CB 3.39Å; S487-T637 VanDerWaalsContact O-CG2 3.27Å; S487-T637 WeakPolarHBondContact O-CG2 3Å; S487-T637 PolarHBondContact O-OG1 2.63Å; G490-T637 WeakPolarHBondContact CA-OG1 3.4Å; G490-T637 PolarHBondContact N-OG1 3.08Å
638	H	94.5	Very high	95.1	Very high	93 Å²	93	75.2 Å²	75.2	43%	0.431	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	8.1	177.6	-59.7	-81.1	0	0	0	112.6	L488 E489 D636 N640	L488-H638 PolarHBondContact O-NE2 2.52Å; E489-H638 PolarHBondContact O-CD2 3.2Å; D636-H638 WeakPolarHBondContact OD1-CA 3.37Å; D636-H638 PolarHBondContact OD1-N 3.15Å; D636-H638 PolarHBondContact O-N 3.32Å; H638-N640 VanDerWaalsContact CB-ND2 3.27Å; H638-N640 WeakPolarHBondContact CB-ND2 3.4Å; H638-N640 PolarHBondContact O-ND2 3.25Å; H638-N640 VanDerWaalsContact O-ND2 3.15Å
639	G	95.6	Very high	95	Very high	57 Å²	57	77.4 Å²	77.4	59%	0.588	45%	0.453	S	S	*	.	S	Bend	trans	81.5	9.5	179.9	0	0	0	0	0	114.8	D636	D636-G639 PolarHBondContact O-N 3.24Å; D636-G639 PolarHBondContact OD1-N 3.45Å; D636-G639 VanDerWaalsContact OD1-N 3.15Å
640	N	94.2	Very high	94.8	Very high	64 Å²	64	79.2 Å²	79.2	34%	0.342	47%	0.466	S	S	.	.			trans	-98.4	163.1	-173.6	-58.5	-78.6	0	0	0	112.6	P635 D636 H638	P635-N640 CarbonylContact C-O 3.51Å; P635-N640 VanDerWaalsContact CA-O 3.28Å; P635-N640 WeakPolarHBondContact CA-O 3.1Å; D636-N640 PolarHBondContact N-O 3.01Å; D636-N640 PolarHBondContact OD1-N 2.87Å; H638-N640 VanDerWaalsContact CB-ND2 3.27Å; H638-N640 WeakPolarHBondContact CB-ND2 3.4Å; H638-N640 PolarHBondContact O-ND2 3.25Å; H638-N640 VanDerWaalsContact O-ND2 3.15Å
641	V	96.6	Very high	94.6	Very high	75 Å²	75	79 Å²	79	46%	0.455	46%	0.461	S	S	.	.			trans	-113.5	149.5	170.5	-68.8	0	0	0	0	109.9	Y631 V643	Y631-V641 WeakPolarHBondContact O-CB 3.17Å; V641-V643 HydrophobicContact CG2-CG2 4.24Å
642	W	96.9	Very high	94.3	Very high	47 Å²	47	82.3 Å²	82.3	18%	0.178	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-86.8	119.8	175.1	-171.7	-114.9	0	0	0	110.4	Y491 W625 W627 P630 Y631 P644	Y491-W642 HydrophobicContact CD1-CB 4.11Å; Y491-W642 HydrophobicContact CD2-CB 3.95Å; Y491-W642 HydrophobicContact CE2-CB 4.49Å; Y491-W642 HydrophobicContact CG-CB 3.74Å; W625-W642 HydrophobicContact CH2-CB 4.24Å; W625-W642 AromaticContact CH2-CD1 3.59Å; W625-W642 AromaticContact CH2-CD2 3.9Å; W625-W642 HydrophobicContact CH2-CD2 3.9Å; W625-W642 AromaticContact CH2-CE2 3.99Å; W625-W642 AromaticContact CH2-CG 3.67Å; W625-W642 HydrophobicContact CH2-CG 3.67Å; W625-W642 AromaticContact CH2-NE1 3.79Å; W625-W642 HydrophobicContact CZ2-CD2 4.16Å; W625-W642 AromaticContact CZ2-CE2 3.81Å; W625-W642 HydrophobicContact CZ2-CG 4.3Å; W625-W642 HydrophobicContact CZ2-CZ2 4.25Å; W625-W642 AromaticContact CZ2-NE1 3.71Å; W627-W642 WeakPolarHBondContact O-CZ2 3.31Å; W627-W642 PolarHBondContact O-NE1 2.74Å; P630-W642 CarbonylContact C-O 3.56Å; P630-W642 WeakPolarHBondContact CA-O 3.47Å; P630-W642 VanDerWaalsContact CA-O 3.23Å; Y631-W642 HydrophobicContact CD2-CB 4.06Å; Y631-W642 AromaticContact CD2-CD1 3.66Å; Y631-W642 HydrophobicContact CD2-CG 4.18Å; Y631-W642 PolarHBondContact N-O 2.9Å; Y631-W642 PolarHBondContact O-N 3.09Å; W642-P644 HydrophobicContact CZ2-CB 4.48Å
643	V	95.8	Very high	94.2	Very high	100 Å²	100	82.5 Å²	82.5	61%	0.606	48%	0.48	S	S	*	.			trans	-134.5	92.7	172.4	-174.7	0	0	0	0	107.8	V641	V641-V643 HydrophobicContact CG2-CG2 4.24Å
644	P	90.9	Very high	94.2	Very high	34 Å²	34	73.3 Å²	73.3	22%	0.221	44%	0.444	C	S	.	.			trans	-68.9	157.2	176.7	28.3	-29.9	0	0	0	110.7	W642	W642-P644 HydrophobicContact CZ2-CB 4.48Å
645	S	78.8	Confident	94	Very high	152 Å²	152	70.7 Å²	70.7	100%	1.063	44%	0.441	S	S	*	.			trans	-87	0	-175.7	-51.9	0	0	0	0	113.7

Retrieved 645 of 645 residues in 118.4 ms (Link to these results)

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