A0A087YN69_POEFO Loading...

Apoptosis-inducing factor 1, mitochondrial

Functions both as NADH oxidoreductase and as regulator of apoptosis. In response to apoptotic stimuli, it is released from the mitochondrion intermembrane space into the cytosol and to the nucleus, where it functions as a proapoptotic factor in a caspase-independent pathway. Release into the cytoplasm is mediated upon binding to poly-ADP-ribose chains. The soluble form (AIFsol) found in the nucleus induces 'parthanatos' i.e. caspase-independent fragmentation of chromosomal DNA. Binds to DNA in a sequence-independent manner. Interacts with EIF3G, and thereby inhibits the EIF3 machinery and protein synthesis, and activates caspase-7 to amplify apoptosis. Plays a critical role in caspase-independent, pyknotic cell death in hydrogen peroxide-exposed cells. In contrast, participates in normal mitochondrial metabolism. Plays an important role in the regulation of respiratory chain biogenesis by interacting with CHCHD4 and controlling CHCHD4 mitochondrial import.

AlphaFold DB , UniProt , Accession A0A087YN69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 aa.

Structure Viewer

Loading PAE data...

(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	Very low	37.7	Very low	238 Å²	238	159.5 Å²	159.5	100%	1.172	79%	0.79	S	S	*	*				0	82.6	0	-64.6	175.7	-170.9	0	0	107.3
2	L	28.3	Very low	37.8	Very low	159 Å²	159	151.4 Å²	151.4	83%	0.832	77%	0.767	S	S	*	*				49.9	90.8	100.5	-76.3	159.4	0	0	0	111.8
3	T	34.3	Very low	37.9	Very low	120 Å²	120	147.2 Å²	147.2	74%	0.736	76%	0.756	S	S	*	*				92	103.1	103.3	47.5	0	0	0	0	114.1
4	C	34.6	Very low	37.8	Very low	113 Å²	113	145.9 Å²	145.9	76%	0.764	75%	0.75	S	S	*	*			trans	-165	57.2	142.8	-120.7	0	0	0	0	112.1
5	R	38.7	Very low	37.7	Very low	247 Å²	247	141.7 Å²	141.7	93%	0.932	75%	0.746	S	S	*	*	S	Bend	trans	-95.7	5.6	169.9	-96.9	-175.9	178	-174.8	0.2	113.7
6	A	40.8	Very low	37.6	Very low	82 Å²	82	146.3 Å²	146.3	68%	0.678	75%	0.75	S	S	*	*	S	Bend	trans	-94.5	-14.9	-178.6	0	0	0	0	0	114.5
7	V	40.3	Very low	37.5	Very low	89 Å²	89	141.9 Å²	141.9	54%	0.539	74%	0.741	S	S	.	*	S	Bend	trans	-85.6	-23.1	-175	-178.5	0	0	0	0	112.7	L11	V7-L11 HydrophobicContact CG1-CD1 4.23Å
8	W	37.2	Very low	37.2	Very low	227 Å²	227	140 Å²	140	86%	0.86	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-11.3	-176.8	-138.2	-28	0	0	0	114.9
9	K	42.7	Very low	37.2	Very low	192 Å²	192	137.3 Å²	137.3	84%	0.835	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-4.2	176.4	-87.3	-173	175.1	-175.7	0	114.8
10	K	44.8	Very low	37	Very low	183 Å²	183	136 Å²	136	80%	0.796	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-10	174.1	-81.8	-168.7	173.6	-173.6	0	115.3
11	L	38.6	Very low	36.9	Very low	105 Å²	105	135.9 Å²	135.9	55%	0.55	74%	0.736	S	S	.	*	S	Bend	trans	-103.2	-8.1	179.7	-74.9	166	0	0	0	114.6	V7	V7-L11 HydrophobicContact CG1-CD1 4.23Å
12	A	38.8	Very low	36.8	Very low	62 Å²	62	130.5 Å²	130.5	51%	0.512	72%	0.72	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-22.6	179.7	0	0	0	0	0	116.2
13	P	38.8	Very low	37	Very low	96 Å²	96	134 Å²	134	62%	0.623	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-14.5	175.2	-13.1	29.9	0	0	0	115.1
14	L	36.3	Very low	37	Very low	129 Å²	129	136.4 Å²	136.4	68%	0.675	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-15.1	-175.6	-82.8	158.4	0	0	0	114
15	A	36.6	Very low	36.9	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	73%	0.731	S	S	*	*	S	Bend	trans	-93.3	5.9	176.8	0	0	0	0	0	114.3
16	R	36	Very low	36.7	Very low	216 Å²	216	133.8 Å²	133.8	82%	0.815	73%	0.727	S	S	*	*	S	Bend	trans	-116.2	5.4	176	-76.5	-172.8	-169.3	-178.8	3.9	114.9
17	A	35.1	Very low	36.3	Very low	71 Å²	71	141.1 Å²	141.1	59%	0.587	74%	0.737	S	S	*	*	S	Bend	trans	-100.6	-5.6	175.6	0	0	0	0	0	114.2
18	S	32.6	Very low	35.8	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	76%	0.758	S	S	*	*	S	Bend	trans	-105.7	9.5	-174.9	-54.6	0	0	0	0	115
19	S	37.1	Very low	35.4	Very low	89 Å²	89	143.4 Å²	143.4	62%	0.622	76%	0.759	S	S	*	*	S	Bend	trans	-121.7	14.4	-173.8	66.9	0	0	0	0	115.9
20	T	33.8	Very low	34.8	Very low	110 Å²	110	137.6 Å²	137.6	68%	0.675	75%	0.753	S	S	*	*	S	Bend	trans	-119.5	1.5	177.8	29.2	0	0	0	0	115.3
21	V	35.1	Very low	34	Very low	134 Å²	134	140.6 Å²	140.6	81%	0.812	76%	0.76	S	S	*	*	S	Bend	trans	-100.6	-9.2	175.3	-178	0	0	0	0	112.8
22	C	32.3	Very low	33.5	Very low	125 Å²	125	142.6 Å²	142.6	85%	0.845	77%	0.771	S	S	*	*	S	Bend	trans	-101.9	18	-176.9	-119.9	0	0	0	0	115.2
23	R	32.7	Very low	33	Very low	233 Å²	233	147.6 Å²	147.6	88%	0.879	79%	0.789	S	S	*	*	S	Bend	trans	-129.1	16.1	-178.2	-110.9	-175.1	-175.3	-172.6	2.2	116.8
24	Q	34.6	Very low	32.6	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	80%	0.798	S	S	*	*	S	Bend	trans	-120.3	-2.3	176.2	-77.2	-174.9	-20	0	0	116.2
25	N	32.4	Very low	32.3	Very low	165 Å²	165	153.1 Å²	153.1	88%	0.882	81%	0.81	S	S	*	*	S	Bend	trans	-102	19.2	177	-77.2	-5.9	0	0	0	115.1
26	V	34.2	Very low	32.1	Very low	140 Å²	140	156 Å²	156	85%	0.848	82%	0.819	S	S	*	*	S	Bend	trans	-122.2	65.8	167.8	-171.4	0	0	0	0	109
27	R	32	Very low	31.9	Very low	237 Å²	237	151.8 Å²	151.8	89%	0.894	82%	0.819	S	S	*	*			trans	-166.4	78.1	161.8	-108.6	-180	-172.5	-168.4	1.9	109.5
28	R	29.6	Very low	31.7	Very low	257 Å²	257	156.5 Å²	156.5	97%	0.97	83%	0.834	S	S	*	*			trans	179.8	82.6	146.3	-102	170.1	-175	-170.6	1.4	109.7
29	A	30.4	Very low	31.6	Very low	107 Å²	107	157.3 Å²	157.3	88%	0.884	84%	0.838	S	S	*	*	S	Bend	trans	-132.8	119.8	147.7	0	0	0	0	0	105.7
30	G	28.3	Very low	31.2	Very low	69 Å²	69	159.3 Å²	159.3	71%	0.711	85%	0.846	S	S	*	*			trans	108.1	88.9	170.6	0	0	0	0	0	115.5
31	W	27.8	Very low	31.1	Very low	247 Å²	247	160 Å²	160	94%	0.936	85%	0.853	S	S	*	*			trans	-159.4	102.6	132.3	-100.4	-27.3	0	0	0	110.5
32	N	28.8	Very low	30.7	Very low	147 Å²	147	159.2 Å²	159.2	79%	0.786	85%	0.848	S	S	*	*				163.2	97.8	128.8	-83.4	-9.7	0	0	0	109.1
33	N	29	Very low	30.5	Very low	167 Å²	167	157.8 Å²	157.8	89%	0.893	85%	0.845	S	S	*	*				-177	127.1	120.3	-92.7	-16.8	0	0	0	110.2
34	A	29.5	Very low	30.3	Very low	98 Å²	98	155.1 Å²	155.1	81%	0.81	84%	0.842	S	S	*	*			trans	-70.8	131.7	-179.5	0	0	0	0	0	111
35	R	29.9	Very low	29.9	Very low	243 Å²	243	155.5 Å²	155.5	92%	0.917	85%	0.846	S	S	*	*			trans	-169.2	119.1	145.3	-103.4	165.5	-170.2	-167.1	3.3	108.5
36	T	33.2	Very low	29.8	Very low	144 Å²	144	153 Å²	153	88%	0.883	84%	0.841	S	S	*	*			trans	-64.5	143.7	177.4	3.2	0	0	0	0	111.7
37	P	31.9	Very low	30	Very low	126 Å²	126	153 Å²	153	82%	0.818	84%	0.842	S	S	*	*			trans	-127.8	147.1	140.7	29.1	-13.5	0	0	0	113
38	L	31.3	Very low	30	Very low	170 Å²	170	145 Å²	145	89%	0.89	83%	0.833	S	S	*	*			trans	-72.1	156.2	176.4	-87.4	126.5	0	0	0	112.8
39	C	29.6	Very low	30.5	Very low	125 Å²	125	139.1 Å²	139.1	85%	0.845	83%	0.828	S	S	*	*			trans	80	106.1	166.6	-85.3	0	0	0	0	118.6
40	V	28.6	Very low	31.2	Very low	132 Å²	132	141.2 Å²	141.2	80%	0.8	83%	0.83	S	S	*	*			trans	-113.3	131.4	161.8	175.9	0	0	0	0	107.3
41	P	31.7	Very low	31.4	Very low	124 Å²	124	141.6 Å²	141.6	81%	0.805	83%	0.834	S	S	*	*			trans	-88.9	133.3	158	28.2	-18.8	0	0	0	110.6
42	V	28	Very low	31.5	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.715	83%	0.828	S	S	*	*			trans	-64.9	126.9	-175.3	175	0	0	0	0	111.4	H44	V42-H44 PolarHBondContact O-N 3.46Å
43	A	26.7	Very low	32.4	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	83%	0.833	S	S	*	*			trans	-81	111.7	164.8	0	0	0	0	0	109.4	M45	A43-M45 PolarHBondContact O-N 3.49Å
44	H	28.1	Very low	33.1	Very low	178 Å²	178	126.9 Å²	126.9	82%	0.824	82%	0.819	S	S	*	*			trans	-73.1	117.6	165.6	-90.9	-83.4	0	0	0	109.6	V42	V42-H44 PolarHBondContact O-N 3.46Å
45	M	27.5	Very low	34.1	Very low	177 Å²	177	127 Å²	127	87%	0.872	81%	0.806	S	S	*	*			trans	-78.9	117.8	160.6	-74.8	-144.5	65.6	0	0	109	A43	A43-M45 PolarHBondContact O-N 3.49Å
46	S	29.2	Very low	35.1	Very low	113 Å²	113	122.1 Å²	122.1	79%	0.79	80%	0.798	S	S	*	*			trans	-105.8	121.5	167.2	-176	0	0	0	0	109.3
47	T	39.9	Very low	35.9	Very low	139 Å²	139	121.7 Å²	121.7	85%	0.853	79%	0.79	S	S	*	*			trans	-82.5	126.7	166.9	44.5	0	0	0	0	109.9
48	G	31.3	Very low	36.7	Very low	69 Å²	69	122.4 Å²	122.4	71%	0.711	78%	0.78	S	S	*	*			trans	-177.9	153.6	170.4	0	0	0	0	0	112.6
49	P	39.2	Very low	37.6	Very low	134 Å²	134	122.5 Å²	122.5	87%	0.87	77%	0.77	S	S	*	*				-110.3	174.6	-125.9	38.7	-33.2	0	0	0	117.3
50	V	46.1	Very low	38.8	Very low	152 Å²	152	119.6 Å²	119.6	92%	0.921	76%	0.755	S	S	*	*			trans	-37.5	131	174.3	-177.4	0	0	0	0	115.5
51	G	31.9	Very low	40.1	Very low	77 Å²	77	119.1 Å²	119.1	79%	0.794	75%	0.747	S	S	*	*			trans	165.1	128.1	156.6	0	0	0	0	0	114.6
52	G	31	Very low	41.1	Very low	79 Å²	79	118.6 Å²	118.6	81%	0.814	74%	0.737	S	S	*	*			trans	110.7	96.6	153.9	0	0	0	0	0	116	S54	G52-S54 PolarHBondContact O-N 3.21Å
53	G	46.8	Very low	42.7	Very low	86 Å²	86	117.4 Å²	117.4	89%	0.887	73%	0.73	S	S	*	*			trans	-70	123.1	170.8	0	0	0	0	0	112.4
54	S	43.9	Very low	44	Very low	87 Å²	87	114.5 Å²	114.5	61%	0.608	71%	0.709	S	S	*	*			trans	-161.8	-5.6	151.3	63.2	0	0	0	0	115	G52	G52-S54 PolarHBondContact O-N 3.21Å
55	D	51.1	Low	45.6	Very low	99 Å²	99	108.9 Å²	108.9	53%	0.529	69%	0.693	S	S	.	*	S	Bend	trans	-98	-9.6	-169.3	-69.4	-21.3	0	0	0	115.8	L57	D55-L57 VanDerWaalsContact C-N 3.3Å; D55-L57 PolarHBondContact O-N 3.34Å
56	N	50.9	Low	47.3	Very low	141 Å²	141	104.7 Å²	104.7	75%	0.754	68%	0.681	S	S	*	*	H	α-helix	trans	-71.9	-22.7	177.7	-70.4	-22.2	0	0	0	113.3	A60	N56-A60 WeakPolarHBondContact O-CB 3.5Å; N56-A60 PolarHBondContact O-N 3.46Å; N56-A60 VanDerWaalsContact O-N 3.08Å
57	L	49.7	Very low	49.1	Very low	135 Å²	135	106.4 Å²	106.4	71%	0.707	68%	0.675	S	S	*	*	H	α-helix	trans	-74	-36.4	179.3	-146.6	86.6	0	0	0	111.6	D55 L61	D55-L57 VanDerWaalsContact C-N 3.3Å; D55-L57 PolarHBondContact O-N 3.34Å; L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 3.41Å
58	K	47.3	Very low	50.8	Low	142 Å²	142	104.1 Å²	104.1	62%	0.617	66%	0.661	S	S	*	*	H	α-helix	trans	-70.7	-39.1	179	-67.6	178.3	-176.8	169.3	0	111.7	L61 L62	K58-L61 PolarHBondContact O-N 3.24Å; K58-L62 WeakPolarHBondContact O-CB 3.42Å; K58-L62 WeakPolarHBondContact O-CG 3.3Å; K58-L62 PolarHBondContact O-N 3.38Å
59	Y	50.8	Low	52.7	Low	171 Å²	171	102.8 Å²	102.8	67%	0.671	65%	0.647	S	S	*	*	H	α-helix	trans	-68.1	-42	173.9	-93.7	-85	0	0	0	112.4	L61 L62 V63	Y59-L61 VanDerWaalsContact C-N 3.31Å; Y59-L61 PolarHBondContact O-N 2.86Å; Y59-L62 PolarHBondContact O-N 3.18Å; Y59-V63 WeakPolarHBondContact O-CB 3.38Å; Y59-V63 VanDerWaalsContact O-CG2 3.26Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.64Å
60	A	54.7	Low	54.1	Low	65 Å²	65	98.4 Å²	98.4	54%	0.537	63%	0.626	S	S	.	*	H	α-helix	trans	-64.3	-36.5	174.7	0	0	0	0	0	112.2	N56 G64	N56-A60 WeakPolarHBondContact O-CB 3.5Å; N56-A60 PolarHBondContact O-N 3.46Å; N56-A60 VanDerWaalsContact O-N 3.08Å; A60-G64 WeakPolarHBondContact O-CA 3.48Å; A60-G64 PolarHBondContact O-N 2.83Å
61	L	57.2	Low	55.2	Low	121 Å²	121	96 Å²	96	63%	0.634	61%	0.608	S	S	*	*	H	α-helix	trans	-74.9	-36.7	179.6	-153.9	147	0	0	0	111.9	L57 K58 Y59 A65	L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 3.41Å; K58-L61 PolarHBondContact O-N 3.24Å; Y59-L61 VanDerWaalsContact C-N 3.31Å; Y59-L61 PolarHBondContact O-N 2.86Å; L61-A65 WeakPolarHBondContact O-CB 2.72Å; L61-A65 PolarHBondContact O-N 2.96Å
62	L	52.6	Low	57.1	Low	114 Å²	114	95.6 Å²	95.6	60%	0.597	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-47.7	172.6	-83.8	166	0	0	0	112.2	K58 Y59 G64 A65 S66	K58-L62 WeakPolarHBondContact O-CB 3.42Å; K58-L62 WeakPolarHBondContact O-CG 3.3Å; K58-L62 PolarHBondContact O-N 3.38Å; Y59-L62 PolarHBondContact O-N 3.18Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-A65 PolarHBondContact O-N 2.89Å; L62-S66 PolarHBondContact O-N 2.97Å; L62-S66 PolarHBondContact O-OG 3.49Å; L62-S66 VanDerWaalsContact O-OG 3.13Å
63	V	60.3	Low	59	Low	93 Å²	93	100 Å²	100	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-65.9	-40.1	176.9	174.5	0	0	0	0	110.7	Y59 S66 F67	Y59-V63 WeakPolarHBondContact O-CB 3.38Å; Y59-V63 VanDerWaalsContact O-CG2 3.26Å; Y59-V63 WeakPolarHBondContact O-CG2 3.36Å; Y59-V63 PolarHBondContact O-N 2.64Å; V63-S66 PolarHBondContact O-N 3.38Å; V63-F67 WeakPolarHBondContact O-CB 3.37Å; V63-F67 PolarHBondContact O-N 3.31Å
64	G	54.8	Low	60	Low	33 Å²	33	98.1 Å²	98.1	34%	0.34	56%	0.559	S	S	.	*	H	α-helix	trans	-61.7	-44.2	174.3	0	0	0	0	0	112.6	A60 L62 F67 V68	A60-G64 WeakPolarHBondContact O-CA 3.48Å; A60-G64 PolarHBondContact O-N 2.83Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-F67 PolarHBondContact O-N 3.1Å; G64-V68 WeakPolarHBondContact O-CB 3.21Å; G64-V68 VanDerWaalsContact O-CG2 3.27Å; G64-V68 WeakPolarHBondContact O-CG2 3.39Å; G64-V68 PolarHBondContact O-N 2.84Å
65	A	60.6	Low	61.8	Low	59 Å²	59	96.9 Å²	96.9	49%	0.488	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-39.3	177.4	0	0	0	0	0	112.5	L61 L62 G69	L61-A65 WeakPolarHBondContact O-CB 2.72Å; L61-A65 PolarHBondContact O-N 2.96Å; L62-A65 PolarHBondContact O-N 2.89Å; A65-G69 PolarHBondContact O-N 2.8Å
66	S	63.5	Low	63.2	Low	89 Å²	89	97.4 Å²	97.4	62%	0.622	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-38.1	174.3	-60.6	0	0	0	0	112.4	L62 V63 G69 G70	L62-S66 PolarHBondContact O-N 2.97Å; L62-S66 PolarHBondContact O-OG 3.49Å; L62-S66 VanDerWaalsContact O-OG 3.13Å; V63-S66 PolarHBondContact O-N 3.38Å; S66-G69 PolarHBondContact O-N 3.12Å; S66-G70 PolarHBondContact O-N 3.14Å
67	F	67.2	Low	64.2	Low	149 Å²	149	93.1 Å²	93.1	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-69.2	-44	177.6	-151.7	-93.8	0	0	0	111.5	V63 G64 G70 L71	V63-F67 WeakPolarHBondContact O-CB 3.37Å; V63-F67 PolarHBondContact O-N 3.31Å; G64-F67 PolarHBondContact O-N 3.1Å; F67-G70 PolarHBondContact O-N 3.03Å; F67-L71 HydrophobicContact CD1-CD1 4.05Å; F67-L71 HydrophobicContact CE1-CD1 3.72Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.9Å
68	V	76.4	Confident	65.2	Low	92 Å²	92	92.4 Å²	92.4	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-40.5	174.8	173.8	0	0	0	0	111	G64 L71 T72	G64-V68 WeakPolarHBondContact O-CB 3.21Å; G64-V68 VanDerWaalsContact O-CG2 3.27Å; G64-V68 WeakPolarHBondContact O-CG2 3.39Å; G64-V68 PolarHBondContact O-N 2.84Å; V68-L71 PolarHBondContact O-N 2.81Å; V68-T72 WeakPolarHBondContact O-CB 3.28Å; V68-T72 PolarHBondContact O-N 2.95Å; V68-T72 PolarHBondContact O-OG1 2.9Å
69	G	71.8	Confident	66.5	Low	40 Å²	40	92.3 Å²	92.3	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-44.7	174.8	0	0	0	0	0	112.7	A65 S66 T72 Y73	A65-G69 PolarHBondContact O-N 2.8Å; S66-G69 PolarHBondContact O-N 3.12Å; G69-T72 PolarHBondContact O-N 2.78Å; G69-Y73 VanDerWaalsContact O-CB 3.31Å; G69-Y73 WeakPolarHBondContact O-CB 3.42Å; G69-Y73 PolarHBondContact O-N 3.11Å
70	G	67.4	Low	67.8	Low	43 Å²	43	85.4 Å²	85.4	44%	0.443	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-42.4	175.4	0	0	0	0	0	113	S66 F67 Y73 A74	S66-G70 PolarHBondContact O-N 3.14Å; F67-G70 PolarHBondContact O-N 3.03Å; G70-Y73 PolarHBondContact O-N 3.03Å; G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.28Å
71	L	69.6	Low	68.1	Low	101 Å²	101	86.5 Å²	86.5	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-39.3	176.5	-132.6	119.6	0	0	0	111.7	F67 V68 A74 V75	F67-L71 HydrophobicContact CD1-CD1 4.05Å; F67-L71 HydrophobicContact CE1-CD1 3.72Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.9Å; V68-L71 PolarHBondContact O-N 2.81Å; L71-A74 PolarHBondContact O-N 3.04Å; L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 VanDerWaalsContact O-CG2 3.22Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 2.92Å
72	T	71.5	Confident	68.7	Low	69 Å²	69	86.9 Å²	86.9	42%	0.423	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-42.5	176.4	-55.5	0	0	0	0	110.5	V68 G69 V75 I76	V68-T72 WeakPolarHBondContact O-CB 3.28Å; V68-T72 PolarHBondContact O-N 2.95Å; V68-T72 PolarHBondContact O-OG1 2.9Å; G69-T72 PolarHBondContact O-N 2.78Å; T72-V75 PolarHBondContact O-N 2.97Å; T72-I76 HydrophobicContact CG2-CD1 3.76Å; T72-I76 HydrophobicContact CG2-CG1 4.33Å; T72-I76 WeakPolarHBondContact O-CB 3.33Å; T72-I76 WeakPolarHBondContact O-CG1 3.33Å; T72-I76 PolarHBondContact O-N 2.82Å
73	Y	71.8	Confident	69.7	Low	172 Å²	172	87.9 Å²	87.9	68%	0.675	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-45.3	173.6	-177.3	-100	0	0	0	111.6	G69 G70 V75 I76 T77	G69-Y73 VanDerWaalsContact O-CB 3.31Å; G69-Y73 WeakPolarHBondContact O-CB 3.42Å; G69-Y73 PolarHBondContact O-N 3.11Å; G70-Y73 PolarHBondContact O-N 3.03Å; Y73-V75 PolarHBondContact O-N 3.39Å; Y73-I76 PolarHBondContact O-N 2.92Å; Y73-T77 VanDerWaalsContact O-CB 3.31Å; Y73-T77 WeakPolarHBondContact O-CB 3.19Å; Y73-T77 PolarHBondContact O-N 3.47Å; Y73-T77 PolarHBondContact O-OG1 3.12Å
74	A	67.3	Low	70.7	Confident	45 Å²	45	90 Å²	90	37%	0.372	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-43.7	176.1	0	0	0	0	0	111.9	G70 L71 T77 L78	G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 3.28Å; L71-A74 PolarHBondContact O-N 3.04Å; A74-T77 PolarHBondContact O-N 3.45Å; A74-L78 VanDerWaalsContact O-CB 3.3Å; A74-L78 WeakPolarHBondContact O-CB 3.22Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.36Å; A74-L78 PolarHBondContact O-N 2.94Å
75	V	80.6	Confident	71.7	Confident	61 Å²	61	94.1 Å²	94.1	37%	0.37	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-40.7	177.8	170.2	0	0	0	0	111.8	L71 T72 Y73 T77 K79	L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 VanDerWaalsContact O-CG2 3.22Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 2.92Å; T72-V75 PolarHBondContact O-N 2.97Å; Y73-V75 PolarHBondContact O-N 3.39Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-K79 HydrophobicContact CG1-CD 4.05Å; V75-K79 HydrophobicContact CG1-CG 4.37Å; V75-K79 VanDerWaalsContact O-CB 3.24Å; V75-K79 WeakPolarHBondContact O-CB 3.26Å; V75-K79 VanDerWaalsContact O-CG 3.31Å; V75-K79 WeakPolarHBondContact O-CG 3.26Å; V75-K79 PolarHBondContact O-N 3.08Å
76	I	80.7	Confident	72.7	Confident	110 Å²	110	95 Å²	95	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-42.3	175	-71.9	170.4	0	0	0	110.1	T72 Y73 K79 G80	T72-I76 HydrophobicContact CG2-CD1 3.76Å; T72-I76 HydrophobicContact CG2-CG1 4.33Å; T72-I76 WeakPolarHBondContact O-CB 3.33Å; T72-I76 WeakPolarHBondContact O-CG1 3.33Å; T72-I76 PolarHBondContact O-N 2.82Å; Y73-I76 PolarHBondContact O-N 2.92Å; I76-K79 PolarHBondContact O-N 3.05Å; I76-G80 PolarHBondContact O-N 3.28Å
77	T	71.9	Confident	73.5	Confident	52 Å²	52	95.6 Å²	95.6	32%	0.319	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-45.6	178.7	-50.2	0	0	0	0	110.9	Y73 A74 V75 G80 D81	Y73-T77 VanDerWaalsContact O-CB 3.31Å; Y73-T77 WeakPolarHBondContact O-CB 3.19Å; Y73-T77 PolarHBondContact O-N 3.47Å; Y73-T77 PolarHBondContact O-OG1 3.12Å; A74-T77 PolarHBondContact O-N 3.45Å; V75-T77 VanDerWaalsContact C-N 3.35Å; T77-G80 PolarHBondContact O-N 2.79Å; T77-D81 PolarHBondContact O-N 2.82Å
78	L	71.1	Confident	73.8	Confident	119 Å²	119	96.9 Å²	96.9	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-42.3	176.2	-74.3	166.6	0	0	0	112.5	A74 G80 D81 Q82	A74-L78 VanDerWaalsContact O-CB 3.3Å; A74-L78 WeakPolarHBondContact O-CB 3.22Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.36Å; A74-L78 PolarHBondContact O-N 2.94Å; L78-G80 VanDerWaalsContact C-N 3.35Å; L78-D81 PolarHBondContact O-N 2.99Å; L78-Q82 WeakPolarHBondContact O-CB 3.43Å; L78-Q82 PolarHBondContact O-N 3.15Å
79	K	74.1	Confident	73.9	Confident	140 Å²	140	97.4 Å²	97.4	61%	0.609	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	-36	174.5	-77.5	-176.4	176.3	-178.3	0	111.9	V75 I76 Q82 K83	V75-K79 HydrophobicContact CG1-CD 4.05Å; V75-K79 HydrophobicContact CG1-CG 4.37Å; V75-K79 VanDerWaalsContact O-CB 3.24Å; V75-K79 WeakPolarHBondContact O-CB 3.26Å; V75-K79 VanDerWaalsContact O-CG 3.31Å; V75-K79 WeakPolarHBondContact O-CG 3.26Å; V75-K79 PolarHBondContact O-N 3.08Å; I76-K79 PolarHBondContact O-N 3.05Å; K79-Q82 PolarHBondContact O-N 3.16Å; K79-K83 VanDerWaalsContact O-CB 3.26Å; K79-K83 WeakPolarHBondContact O-CB 3.37Å; K79-K83 PolarHBondContact O-N 3.38Å
80	G	77.9	Confident	74.2	Confident	27 Å²	27	99.1 Å²	99.1	28%	0.278	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-42.7	174.2	0	0	0	0	0	112.1	I76 T77 L78 K83 R84	I76-G80 PolarHBondContact O-N 3.28Å; T77-G80 PolarHBondContact O-N 2.79Å; L78-G80 VanDerWaalsContact C-N 3.35Å; G80-K83 PolarHBondContact O-N 3.27Å; G80-R84 WeakPolarHBondContact O-CB 3.44Å; G80-R84 WeakPolarHBondContact O-CG 3.47Å; G80-R84 PolarHBondContact O-N 2.96Å; G80-R84 PolarHBondContact O-NE 3.09Å
81	D	62	Low	74.8	Confident	87 Å²	87	102.2 Å²	102.2	47%	0.465	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-41.6	174.4	-83.4	2.1	0	0	0	112.3	T77 L78 K83 R84 H85	T77-D81 PolarHBondContact O-N 2.82Å; L78-D81 PolarHBondContact O-N 2.99Å; D81-K83 PolarHBondContact O-N 3.2Å; D81-R84 PolarHBondContact O-N 2.79Å; D81-R84 IonicContact OD1-CZ 3.91Å; D81-R84 IonicContact OD1-NE 3.75Å; D81-R84 IonicContact OD1-NH2 3.6Å; D81-R84 PolarHBondContact OD1-NH2 2.62Å; D81-H85 VanDerWaalsContact O-CB 3.25Å; D81-H85 WeakPolarHBondContact O-CB 3.2Å; D81-H85 PolarHBondContact O-N 3.35Å
82	Q	69.4	Low	75	Confident	129 Å²	129	102.7 Å²	102.7	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-64.4	-40.7	175.4	-166.8	-179.2	-0.9	0	0	111.5	L78 K79 H85 V86	L78-Q82 WeakPolarHBondContact O-CB 3.43Å; L78-Q82 PolarHBondContact O-N 3.15Å; K79-Q82 PolarHBondContact O-N 3.16Å; Q82-H85 PolarHBondContact O-N 3.23Å; Q82-V86 VanDerWaalsContact O-CG2 3.29Å; Q82-V86 WeakPolarHBondContact O-CG2 3.39Å; Q82-V86 PolarHBondContact O-N 2.82Å
83	K	73.8	Confident	74.8	Confident	136 Å²	136	103.7 Å²	103.7	59%	0.591	52%	0.515	S	S	*	.	H	α-helix	trans	-65.6	-45.4	176.3	-169.1	-179.9	-179.6	-166	0	111.4	K79 G80 D81 H85 V86 E87	K79-K83 VanDerWaalsContact O-CB 3.26Å; K79-K83 WeakPolarHBondContact O-CB 3.37Å; K79-K83 PolarHBondContact O-N 3.38Å; G80-K83 PolarHBondContact O-N 3.27Å; D81-K83 PolarHBondContact O-N 3.2Å; K83-H85 VanDerWaalsContact C-N 3.29Å; K83-H85 PolarHBondContact O-N 2.95Å; K83-V86 PolarHBondContact O-N 2.93Å; K83-E87 WeakPolarHBondContact CE-OE1 3.34Å; K83-E87 HydrophobicContact CG-CG 4.5Å; K83-E87 IonicContact NZ-OE1 3.8Å; K83-E87 WeakPolarHBondContact O-CB 3.43Å; K83-E87 WeakPolarHBondContact O-CG 3.3Å; K83-E87 PolarHBondContact O-N 3.39Å
84	R	81.9	Confident	74.3	Confident	138 Å²	138	99.5 Å²	99.5	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-37.5	174	-77.9	-175.3	-75.1	-147.8	1	112.4	G80 D81 R88	G80-R84 WeakPolarHBondContact O-CB 3.44Å; G80-R84 WeakPolarHBondContact O-CG 3.47Å; G80-R84 PolarHBondContact O-N 2.96Å; G80-R84 PolarHBondContact O-NE 3.09Å; D81-R84 PolarHBondContact O-N 2.79Å; D81-R84 IonicContact OD1-CZ 3.91Å; D81-R84 IonicContact OD1-NE 3.75Å; D81-R84 IonicContact OD1-NH2 3.6Å; D81-R84 PolarHBondContact OD1-NH2 2.62Å; R84-R88 WeakPolarHBondContact O-CB 3.37Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.3Å
85	H	75.7	Confident	74	Confident	119 Å²	119	106.2 Å²	106.2	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-47.3	175.2	-178.4	76.8	0	0	0	111.5	D81 Q82 K83 R88 M89	D81-H85 VanDerWaalsContact O-CB 3.25Å; D81-H85 WeakPolarHBondContact O-CB 3.2Å; D81-H85 PolarHBondContact O-N 3.35Å; Q82-H85 PolarHBondContact O-N 3.23Å; K83-H85 VanDerWaalsContact C-N 3.29Å; K83-H85 PolarHBondContact O-N 2.95Å; H85-R88 PolarHBondContact O-N 3.33Å; H85-M89 WeakPolarHBondContact O-CB 3.38Å; H85-M89 VanDerWaalsContact O-CG 3.3Å; H85-M89 WeakPolarHBondContact O-CG 3.42Å; H85-M89 PolarHBondContact O-N 2.62Å
86	V	80.4	Confident	72	Confident	76 Å²	76	112.6 Å²	112.6	46%	0.461	55%	0.55	S	S	.	.	H	α-helix	trans	-65.7	-42.4	177.6	171.9	0	0	0	0	111.4	Q82 K83 R88 M89 T90	Q82-V86 VanDerWaalsContact O-CG2 3.29Å; Q82-V86 WeakPolarHBondContact O-CG2 3.39Å; Q82-V86 PolarHBondContact O-N 2.82Å; K83-V86 PolarHBondContact O-N 2.93Å; V86-R88 PolarHBondContact O-N 2.98Å; V86-M89 PolarHBondContact O-N 3.14Å; V86-T90 VanDerWaalsContact O-CB 3.31Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 2.81Å; V86-T90 PolarHBondContact O-OG1 2.87Å
87	E	80.8	Confident	70.1	Confident	102 Å²	102	115.8 Å²	115.8	48%	0.477	56%	0.562	S	S	.	*	H	α-helix	trans	-59.2	-45.2	175.1	-77.6	171.8	178.3	0	0	111	K83 T90 E91	K83-E87 WeakPolarHBondContact CE-OE1 3.34Å; K83-E87 HydrophobicContact CG-CG 4.5Å; K83-E87 IonicContact NZ-OE1 3.8Å; K83-E87 WeakPolarHBondContact O-CB 3.43Å; K83-E87 WeakPolarHBondContact O-CG 3.3Å; K83-E87 PolarHBondContact O-N 3.39Å; E87-T90 PolarHBondContact O-N 3.44Å; E87-E91 WeakPolarHBondContact O-CB 3.27Å; E87-E91 PolarHBondContact O-N 3.45Å
88	R	72.8	Confident	68.3	Low	176 Å²	176	123.7 Å²	123.7	66%	0.664	59%	0.592	S	S	*	*	H	α-helix	trans	-65.9	-41.7	175.2	-77	-177.6	-178.6	-176.5	0.9	113.1	R84 H85 V86 T90 E91 I92	R84-R88 WeakPolarHBondContact O-CB 3.37Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 3.3Å; H85-R88 PolarHBondContact O-N 3.33Å; V86-R88 PolarHBondContact O-N 2.98Å; R88-T90 VanDerWaalsContact C-N 3.29Å; R88-T90 PolarHBondContact O-N 2.96Å; R88-E91 PolarHBondContact O-N 2.87Å; R88-I92 WeakPolarHBondContact O-CB 3.22Å; R88-I92 WeakPolarHBondContact O-CD1 3.37Å; R88-I92 WeakPolarHBondContact O-CG1 3.12Å; R88-I92 PolarHBondContact O-N 2.73Å
89	M	78.6	Confident	66.5	Low	103 Å²	103	122.7 Å²	122.7	51%	0.507	60%	0.595	S	S	.	*	H	α-helix	trans	-64.9	-36.3	175.8	-74.9	-62.8	-65.5	0	0	111.6	H85 V86 S93	H85-M89 WeakPolarHBondContact O-CB 3.38Å; H85-M89 VanDerWaalsContact O-CG 3.3Å; H85-M89 WeakPolarHBondContact O-CG 3.42Å; H85-M89 PolarHBondContact O-N 2.62Å; V86-M89 PolarHBondContact O-N 3.14Å; M89-S93 WeakPolarHBondContact O-CB 3.44Å; M89-S93 PolarHBondContact O-N 2.9Å; M89-S93 PolarHBondContact O-OG 3.1Å
90	T	79.3	Confident	64.8	Low	76 Å²	76	120.5 Å²	120.5	47%	0.466	60%	0.603	S	S	.	*	H	α-helix	trans	-68.4	-44.2	175.2	-51.8	0	0	0	0	110.4	V86 E87 R88 I92 S93 S94	V86-T90 VanDerWaalsContact O-CB 3.31Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 2.81Å; V86-T90 PolarHBondContact O-OG1 2.87Å; E87-T90 PolarHBondContact O-N 3.44Å; R88-T90 VanDerWaalsContact C-N 3.29Å; R88-T90 PolarHBondContact O-N 2.96Å; T90-I92 PolarHBondContact O-N 3.13Å; T90-S93 WeakPolarHBondContact CA-OG 3.26Å; T90-S93 PolarHBondContact O-N 2.55Å; T90-S93 PolarHBondContact O-OG 2.69Å; T90-S94 VanDerWaalsContact O-CB 3.29Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 2.82Å; T90-S94 PolarHBondContact O-OG 2.91Å
91	E	79.6	Confident	62.5	Low	108 Å²	108	124.3 Å²	124.3	51%	0.505	63%	0.626	S	S	.	*	H	α-helix	trans	-59.8	-45.4	175.2	-165.9	-173.3	161.5	0	0	111.5	E87 R88 S93 S94 R95	E87-E91 WeakPolarHBondContact O-CB 3.27Å; E87-E91 PolarHBondContact O-N 3.45Å; R88-E91 PolarHBondContact O-N 2.87Å; E91-S93 PolarHBondContact O-N 3.41Å; E91-S94 WeakPolarHBondContact CA-OG 3.19Å; E91-S94 PolarHBondContact O-N 2.96Å; E91-S94 PolarHBondContact O-OG 2.99Å; E91-R95 PolarHBondContact O-N 3.35Å; E91-R95 IonicContact OE1-NH2 3.8Å
92	I	72.9	Confident	61.2	Low	112 Å²	112	129 Å²	129	57%	0.574	65%	0.645	S	S	*	*	H	α-helix	trans	-62.2	-43.1	175.6	-69.4	163.4	0	0	0	111.2	R88 T90 S94 R95	R88-I92 WeakPolarHBondContact O-CB 3.22Å; R88-I92 WeakPolarHBondContact O-CD1 3.37Å; R88-I92 WeakPolarHBondContact O-CG1 3.12Å; R88-I92 PolarHBondContact O-N 2.73Å; T90-I92 PolarHBondContact O-N 3.13Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 2.62Å; I92-R95 PolarHBondContact O-N 2.85Å
93	S	68.9	Low	59.3	Low	90 Å²	90	130.2 Å²	130.2	63%	0.629	65%	0.654	S	S	*	*	H	α-helix	trans	-70.9	-27.4	178.1	73.6	0	0	0	0	113.6	M89 T90 E91 R95	M89-S93 WeakPolarHBondContact O-CB 3.44Å; M89-S93 PolarHBondContact O-N 2.9Å; M89-S93 PolarHBondContact O-OG 3.1Å; T90-S93 WeakPolarHBondContact CA-OG 3.26Å; T90-S93 PolarHBondContact O-N 2.55Å; T90-S93 PolarHBondContact O-OG 2.69Å; E91-S93 PolarHBondContact O-N 3.41Å; S93-R95 VanDerWaalsContact C-N 3.32Å
94	S	59.7	Low	57.1	Low	84 Å²	84	132.6 Å²	132.6	59%	0.587	67%	0.667	S	S	*	*	H	α-helix	trans	-78.7	-15.6	178.7	74.7	0	0	0	0	113.2	T90 E91 I92 K96	T90-S94 VanDerWaalsContact O-CB 3.29Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 2.82Å; T90-S94 PolarHBondContact O-OG 2.91Å; E91-S94 WeakPolarHBondContact CA-OG 3.19Å; E91-S94 PolarHBondContact O-N 2.96Å; E91-S94 PolarHBondContact O-OG 2.99Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 2.62Å; S94-K96 PolarHBondContact O-N 3.33Å
95	R	61.1	Low	54.7	Low	186 Å²	186	132.3 Å²	132.3	70%	0.702	68%	0.68	S	S	*	*	S	Bend	trans	-72.6	80.1	166.9	-70.8	-178.1	-176.4	-171.1	3	109.2	E91 I92 S93 Q97	E91-R95 PolarHBondContact O-N 3.35Å; E91-R95 IonicContact OE1-NH2 3.8Å; I92-R95 PolarHBondContact O-N 2.85Å; S93-R95 VanDerWaalsContact C-N 3.32Å; R95-Q97 PolarHBondContact O-N 2.66Å
96	K	39.5	Very low	52.5	Low	195 Å²	195	135.5 Å²	135.5	85%	0.848	70%	0.696	S	S	*	*			trans	-59.3	130.3	167.7	-104.2	-176.8	178	-179.7	0	110	S94 K98	S94-K96 PolarHBondContact O-N 3.33Å; K96-K98 PolarHBondContact O-N 2.99Å
97	Q	40.6	Very low	50.3	Low	176 Å²	176	137.3 Å²	137.3	82%	0.822	71%	0.709	S	S	*	*			trans	-30.4	117.2	161.6	-69.1	165.4	-60.4	0	0	112	R95 S99	R95-Q97 PolarHBondContact O-N 2.66Å; Q97-S99 PolarHBondContact O-N 3.37Å
98	K	33.3	Very low	48.1	Very low	219 Å²	219	138.8 Å²	138.8	95%	0.952	73%	0.727	S	S	*	*			trans	-69.6	83.9	145.2	-93.8	-177.7	173	179.5	0	106.3	K96	K96-K98 PolarHBondContact O-N 2.99Å
99	S	35	Very low	46	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	74%	0.736	S	S	*	*			trans	-68.3	129.4	168.3	179.3	0	0	0	0	108.4	Q97 S101	Q97-S99 PolarHBondContact O-N 3.37Å; S99-S101 PolarHBondContact O-N 3.14Å
100	A	37	Very low	43.7	Very low	94 Å²	94	136.7 Å²	136.7	78%	0.777	75%	0.751	S	S	*	*			trans	-45.6	130.5	163.4	0	0	0	0	0	111.1
101	S	29.9	Very low	41.4	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	77%	0.767	S	S	*	*			trans	-101.9	112.8	157.8	60.4	0	0	0	0	108	S99	S99-S101 PolarHBondContact O-N 3.14Å
102	Q	34.5	Very low	39	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.864	78%	0.777	S	S	*	*			trans	28.4	110.3	150.2	-69	175.7	-23.7	0	0	118.2
103	I	30.3	Very low	37	Very low	155 Å²	155	143.4 Å²	143.4	80%	0.795	79%	0.785	S	S	*	*			trans	-121.4	105	147.7	-60.5	178.7	0	0	0	106.6	T105	I103-T105 HydrophobicContact CG2-CG2 4.06Å
104	Q	27.9	Very low	35.4	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	79%	0.787	S	S	*	*			trans	-81.3	127.8	158.1	-82.1	176.1	-29.1	0	0	107.4
105	T	30.2	Very low	34.5	Very low	132 Å²	132	145.4 Å²	145.4	81%	0.81	79%	0.794	S	S	*	*			trans	-110.3	113.2	168.4	38.9	0	0	0	0	109.3	I103	I103-T105 HydrophobicContact CG2-CG2 4.06Å
106	E	29.5	Very low	32.9	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-90.1	159	161.3	-90.7	-171.1	167.7	0	0	110.6
107	P	35	Very low	32.4	Very low	113 Å²	113	142.7 Å²	142.7	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.3	156.8	-166.8	35.2	-33.6	0	0	0	112.6
108	P	35.1	Very low	31.8	Very low	133 Å²	133	140.4 Å²	140.4	86%	0.864	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.1	136.2	-178.3	32.5	-30.4	0	0	0	112.1
109	A	28.8	Very low	31.5	Very low	103 Å²	103	139.9 Å²	139.9	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-98.5	147.7	171.5	0	0	0	0	0	112.1
110	T	30.5	Very low	31.2	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.4	141.1	-177.2	-10.8	0	0	0	0	113.8
111	V	29.6	Very low	30.8	Very low	131 Å²	131	147.6 Å²	147.6	79%	0.794	81%	0.806	S	S	*	*			trans	-162.4	103.2	147.6	-178.6	0	0	0	0	107.8
112	M	29	Very low	30.7	Very low	149 Å²	149	147.1 Å²	147.1	73%	0.734	81%	0.808	S	S	*	*				60.9	134.2	96.9	-69.8	177.4	67.5	0	0	115.2
113	E	30.6	Very low	30.5	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	80%	0.802	S	S	*	*			cis	176.4	-176.7	14.8	-115.8	-169.8	176.4	0	0	108.7
114	P	35.9	Very low	30.3	Very low	105 Å²	105	140 Å²	140	68%	0.682	80%	0.804	S	S	*	*			cis	-139.3	-149.9	-29	43.9	-21.6	0	0	0	113.1
115	P	42.3	Very low	30.7	Very low	112 Å²	112	135.7 Å²	135.7	73%	0.727	80%	0.8	S	S	*	*				-130.7	-177.8	-114.8	36.9	-12.5	0	0	0	116.5
116	L	26.9	Very low	31.2	Very low	150 Å²	150	135.7 Å²	135.7	79%	0.785	80%	0.802	S	S	*	*			trans	154.2	139.7	152.5	-86.8	152.1	0	0	0	108
117	E	28.5	Very low	31.1	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	80%	0.803	S	S	*	*			cis	-168.2	151.7	-5.8	-141.7	172.6	-149.4	0	0	106.2
118	T	29	Very low	31	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	80%	0.804	S	S	*	*			trans	-70.6	147.4	-173.6	18.6	0	0	0	0	117
119	K	25.5	Very low	30.6	Very low	208 Å²	208	137.1 Å²	137.1	90%	0.904	81%	0.809	S	S	*	*				-164.2	140.4	125.8	-119.7	177.1	-179.9	-179.1	0	115.4
120	L	29.8	Very low	30.7	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	81%	0.807	S	S	*	*			trans	-76	160.5	-177	-73.2	100.5	0	0	0	114.5
121	E	27.7	Very low	30.6	Very low	201 Å²	201	135.6 Å²	135.6	94%	0.939	81%	0.809	S	S	*	*				-165	142.9	116.2	-107.2	169.5	-175.7	0	0	113.9
122	A	28.4	Very low	30.5	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	81%	0.808	S	S	*	*			trans	-84.6	-179.9	179.3	0	0	0	0	0	111.1
123	A	29.5	Very low	31.6	Very low	89 Å²	89	132.4 Å²	132.4	74%	0.736	81%	0.811	S	S	*	*			cis	-169.9	145.1	31.1	0	0	0	0	0	108.3
124	A	27.3	Very low	31.5	Very low	102 Å²	102	130.7 Å²	130.7	84%	0.843	82%	0.816	S	S	*	*				83.9	138	99	0	0	0	0	0	118.1
125	A	34.7	Very low	31.3	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	82%	0.823	S	S	*	*			trans	-70.4	175.8	176.4	0	0	0	0	0	114
126	P	40.7	Very low	30.6	Very low	133 Å²	133	135 Å²	135	86%	0.864	83%	0.826	S	S	*	*				-155.1	177.6	109	36.6	-15.8	0	0	0	118.2
127	D	28.7	Very low	30.7	Very low	165 Å²	165	132.8 Å²	132.8	88%	0.882	83%	0.829	S	S	*	*			trans	-80.1	171.1	-176.6	-78.9	-55.7	0	0	0	118
128	A	32.4	Very low	30.8	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	83%	0.832	S	S	*	*			trans	-19.4	148.9	168	0	0	0	0	0	123.6
129	E	27.9	Very low	31.8	Very low	205 Å²	205	132.3 Å²	132.3	96%	0.958	83%	0.827	S	S	*	*				-177.5	169.8	116.8	-122.3	179	168.1	0	0	114.1
130	A	30.6	Very low	33.1	Very low	97 Å²	97	127.6 Å²	127.6	80%	0.802	82%	0.818	S	S	*	*			trans	-89	164.3	-158.5	0	0	0	0	0	118.5
131	A	27.3	Very low	34.3	Very low	106 Å²	106	125.3 Å²	125.3	88%	0.876	81%	0.812	S	S	*	*			trans	158.3	145.9	133.7	0	0	0	0	0	114.4
132	A	28.1	Very low	34.8	Very low	93 Å²	93	121.6 Å²	121.6	77%	0.769	80%	0.803	S	S	*	*			trans	-108.2	-172.1	164.6	0	0	0	0	0	109.5
133	P	51.3	Low	34.9	Very low	121 Å²	121	124.2 Å²	124.2	79%	0.786	80%	0.803	S	S	*	*			cis	-136.4	177.9	-16.4	40.1	-21.6	0	0	0	115.3
134	S	28.4	Very low	35	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	81%	0.805	S	S	*	*			trans	153.3	123.7	146.4	65.7	0	0	0	0	111.6
135	E	31.9	Very low	36	Very low	179 Å²	179	128 Å²	128	84%	0.836	80%	0.798	S	S	*	*				83.2	121.2	74.8	-111.5	-172.8	-166.6	0	0	118.2
136	T	29.1	Very low	35.9	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	80%	0.801	S	S	*	*			trans	68.8	119.9	151.6	41.5	0	0	0	0	123.9
137	A	27	Very low	35.4	Very low	104 Å²	104	128.4 Å²	128.4	86%	0.86	79%	0.789	S	S	*	*				167.6	138.3	101.3	0	0	0	0	0	114
138	E	32.4	Very low	35.4	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	79%	0.79	S	S	*	*			trans	-91.3	-169	178.8	-126.9	-178	-171.4	0	0	111.5
139	P	49.1	Very low	35.2	Very low	104 Å²	104	129.3 Å²	129.3	68%	0.675	79%	0.786	S	S	*	*			cis	-143.7	-139.6	-2.8	31.3	-1.9	0	0	0	114.1
140	P	52.7	Low	35.2	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	78%	0.782	S	S	*	*				-128	-146.7	-87	45.7	-26.4	0	0	0	112.7
141	P	54.3	Low	35.1	Very low	104 Å²	104	125.4 Å²	125.4	68%	0.675	78%	0.782	S	S	*	*			cis	-143.2	177.8	-12.7	41.2	-20.5	0	0	0	119.5
142	V	38	Very low	35.2	Very low	123 Å²	123	129.3 Å²	129.3	75%	0.745	78%	0.782	S	S	*	*			trans	46.7	146.4	145.8	-79.8	0	0	0	0	123.6
143	D	30.9	Very low	35.3	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	79%	0.789	S	S	*	*			cis	-161.3	161.9	43.9	-102.4	-37.2	0	0	0	113.5
144	E	32.5	Very low	34.3	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	79%	0.79	S	S	*	*			trans	-122.7	165.1	165.9	-120.8	-170.6	-145.8	0	0	108.1
145	P	48.9	Very low	34.2	Very low	105 Å²	105	132.6 Å²	132.6	68%	0.682	79%	0.793	S	S	*	*				-165.7	170.4	67.3	41.7	-17.1	0	0	0	121.1
146	L	31	Very low	34.2	Very low	159 Å²	159	128.7 Å²	128.7	83%	0.832	79%	0.791	S	S	*	*			trans	42.9	156.9	130.1	-60.2	164.7	0	0	0	123.2
147	A	30.3	Very low	34.6	Very low	76 Å²	76	127.9 Å²	127.9	63%	0.628	79%	0.788	S	S	*	*			cis	-179.2	160.1	-8.5	0	0	0	0	0	111.5
148	E	29	Very low	34.7	Very low	193 Å²	193	130.7 Å²	130.7	90%	0.902	79%	0.787	S	S	*	*			trans	50.9	157.5	146.2	-69.6	175.6	-178.7	0	0	123.7
149	A	28.4	Very low	34.5	Very low	83 Å²	83	128.1 Å²	128.1	69%	0.686	79%	0.785	S	S	*	*			cis	-175.4	164.6	-17.4	0	0	0	0	0	111.5
150	S	27.8	Very low	33.9	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	79%	0.792	S	S	*	*			trans	73.2	149.8	161.8	75.4	0	0	0	0	120.3
151	A	29.3	Very low	32.9	Very low	95 Å²	95	129.9 Å²	129.9	79%	0.785	80%	0.796	S	S	*	*			cis	-161.8	-179.2	25.2	0	0	0	0	0	114.6
152	E	28.6	Very low	32	Very low	189 Å²	189	128.5 Å²	128.5	88%	0.883	80%	0.8	S	S	*	*			trans	-49.7	166.1	180	-67.6	160.3	133.4	0	0	117.7
153	E	29.6	Very low	31.6	Very low	198 Å²	198	128.9 Å²	128.9	93%	0.925	80%	0.802	S	S	*	*				-176.4	178.1	57.1	-149.5	178.2	-178.7	0	0	112.5
154	A	30.2	Very low	31.9	Very low	97 Å²	97	130.9 Å²	130.9	80%	0.802	81%	0.807	S	S	*	*			trans	-87	162	-155	0	0	0	0	0	121
155	A	27.4	Very low	32	Very low	107 Å²	107	131.6 Å²	131.6	88%	0.884	81%	0.81	S	S	*	*			trans	-170.2	139.2	144.2	0	0	0	0	0	113.7
156	A	31.8	Very low	31.4	Very low	97 Å²	97	131.3 Å²	131.3	80%	0.802	82%	0.817	S	S	*	*			trans	-102	168.1	172.2	0	0	0	0	0	110.7
157	P	38.1	Very low	31.7	Very low	111 Å²	111	127.8 Å²	127.8	72%	0.721	81%	0.811	S	S	*	*				-152.8	168	50.4	40	-17.2	0	0	0	119.8
158	L	28.8	Very low	32.2	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	82%	0.824	S	S	*	*			trans	53.5	132.2	149.7	-62.3	159.1	0	0	0	119.4
159	T	28.8	Very low	33	Very low	133 Å²	133	128 Å²	128	82%	0.816	82%	0.816	S	S	*	*				-161.3	150.6	51.8	46.4	0	0	0	0	114.2
160	D	36	Very low	33.9	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	82%	0.821	S	S	*	*			trans	-29.4	132.2	165.3	-168.1	14.7	0	0	0	119.6
161	A	31.7	Very low	35	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	81%	0.806	S	S	*	*			trans	-168.6	93.4	138.8	0	0	0	0	0	111.1
162	G	34.8	Very low	37.1	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	80%	0.801	S	S	*	*			trans	40.2	91.5	148	0	0	0	0	0	119.5
163	V	30.8	Very low	39.9	Very low	132 Å²	132	123.8 Å²	123.8	80%	0.8	77%	0.768	S	S	*	*			trans	-99.5	112.4	152.4	-179.8	0	0	0	0	106.5	E165	V163-E165 PolarHBondContact O-N 2.92Å
164	E	36.3	Very low	42.7	Very low	194 Å²	194	114.7 Å²	114.7	91%	0.907	73%	0.726	S	S	*	*			trans	-60.3	106	157.2	-85.5	-178.1	151.2	0	0	106.5	A166	E164-A166 PolarHBondContact O-N 3.44Å
165	E	33.5	Very low	45.8	Very low	181 Å²	181	114.3 Å²	114.3	85%	0.846	72%	0.718	S	S	*	*			trans	-54.6	108.2	164.8	-84.4	179.5	145.3	0	0	107.6	V163 A167	V163-E165 PolarHBondContact O-N 2.92Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.36Å
166	A	37.1	Very low	49.1	Very low	99 Å²	99	112.5 Å²	112.5	82%	0.818	69%	0.691	S	S	*	*			trans	-57	101.9	160.9	0	0	0	0	0	106.4	E164 D168	E164-A166 PolarHBondContact O-N 3.44Å; A166-D168 PolarHBondContact O-N 2.71Å; A166-D168 VanDerWaalsContact O-N 3.15Å
167	A	38.3	Very low	52.2	Low	86 Å²	86	107.9 Å²	107.9	71%	0.711	65%	0.653	S	S	*	*			trans	-51.5	123.8	173.5	0	0	0	0	0	108	E165 S169	E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.36Å; A167-S169 PolarHBondContact O-N 3.13Å
168	D	40.7	Very low	55.1	Low	169 Å²	169	104.3 Å²	104.3	90%	0.904	63%	0.63	S	S	*	*			trans	-57.3	85.3	174	-143.7	1.1	0	0	0	108.2	A166 K170	A166-D168 PolarHBondContact O-N 2.71Å; A166-D168 VanDerWaalsContact O-N 3.15Å; D168-K170 PolarHBondContact O-N 3.17Å
169	S	45.2	Very low	58.4	Low	105 Å²	105	97.5 Å²	97.5	73%	0.734	59%	0.593	S	S	*	*			trans	-74.7	98.7	-177.8	62	0	0	0	0	106.7	A167 P171	A167-S169 PolarHBondContact O-N 3.13Å; S169-P171 VanDerWaalsContact O-N 3.17Å
170	K	47.1	Very low	61.8	Low	185 Å²	185	91.2 Å²	91.2	80%	0.804	55%	0.554	S	S	*	*			trans	-43.3	127.5	164.3	-73.5	-178.7	178.8	179	0	107.8	D168 S172	D168-K170 PolarHBondContact O-N 3.17Å; K170-S172 PolarHBondContact O-N 3.17Å
171	P	51.8	Low	64.8	Low	83 Å²	83	83.8 Å²	83.8	54%	0.539	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-57.3	120.7	178.9	24.5	-33.4	0	0	0	108.1	S169 E260	S169-P171 VanDerWaalsContact O-N 3.17Å; P171-E260 HydrophobicContact CB-CB 3.96Å; P171-E260 VanDerWaalsContact CB-CD 3.45Å; P171-E260 HydrophobicContact CB-CG 3.92Å; P171-E260 WeakPolarHBondContact CB-OE2 3.31Å; P171-E260 VanDerWaalsContact CG-CD 3.47Å; P171-E260 HydrophobicContact CG-CG 4.46Å; P171-E260 WeakPolarHBondContact CG-OE2 3.14Å
172	S	73.5	Confident	68	Low	99 Å²	99	79.5 Å²	79.5	69%	0.692	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-91.1	125.7	-174.8	61.8	0	0	0	0	108.8	K170	K170-S172 PolarHBondContact O-N 3.17Å
173	L	86	Confident	71	Confident	36 Å²	36	76.5 Å²	76.5	19%	0.188	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-48	151.1	170.8	-71.3	172.1	0	0	0	111.7	S175 A259 E260 L273 M294	L173-S175 PolarHBondContact O-N 2.92Å; L173-A259 HydrophobicContact CD2-CB 3.93Å; L173-E260 HydrophobicContact CD2-CG 4.24Å; L173-L273 HydrophobicContact CD1-CD1 4.05Å; L173-L273 HydrophobicContact CD1-CD2 4.32Å; L173-L273 HydrophobicContact CD2-CD1 3.73Å; L173-M294 HydrophobicContact CB-CE 3.31Å; L173-M294 HydrophobicContact CB-SD 3.53Å; L173-M294 VanDerWaalsContact CB-SD 3.53Å; L173-M294 HydrophobicContact CD1-SD 3.6Å; L173-M294 HydrophobicContact CG-SD 4.23Å; L173-M294 WeakPolarHBondContact O-CE 3.29Å
174	P	89.2	Confident	74.2	Confident	6 Å²	6	70.7 Å²	70.7	4%	0.039	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.7	125.2	-172.6	26.4	-34.3	0	0	0	111.4	H176 L205 A259 M294	P174-H176 PolarHBondContact O-N 2.74Å; P174-L205 HydrophobicContact CG-CD2 3.96Å; P174-A259 VanDerWaalsContact CD-O 3.27Å; P174-A259 WeakPolarHBondContact CD-O 3.39Å; P174-M294 WeakPolarHBondContact O-CE 3.43Å
175	S	94.4	Very high	77.2	Confident	90 Å²	90	62 Å²	62	63%	0.629	38%	0.377	S	S	*	.	S	Bend	trans	-76.3	-11.2	174.8	59.6	0	0	0	0	113.4	L173 S297	L173-S175 PolarHBondContact O-N 2.92Å; S175-S297 PolarHBondContact O-N 3.32Å; S175-S297 PolarHBondContact O-OG 3.37Å
176	H	97.4	Very high	80.3	Confident	68 Å²	68	54.1 Å²	54.1	32%	0.315	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.7	179.1	-177.7	76.4	0	0	0	111.1	P174 S297 D299	P174-H176 PolarHBondContact O-N 2.74Å; H176-S297 CarbonylContact C-O 3.57Å; H176-S297 WeakPolarHBondContact CA-O 3.5Å; H176-S297 WeakPolarHBondContact CB-OG 3.44Å; H176-S297 PolarHBondContact ND1-O 2.82Å; H176-S297 PolarHBondContact ND1-OG 3Å; H176-D299 IonicContact CE1-OD1 3.8Å; H176-D299 PolarHBondContact CE1-OD1 3.13Å; H176-D299 VanDerWaalsContact CE1-OD1 3.3Å; H176-D299 IonicContact NE2-OD1 3.46Å; H176-D299 IonicContact NE2-OD2 3.6Å
177	A	97.3	Very high	83.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.8	173.1	0	0	0	0	0	110.5	Y179 L205 I296 S297 Y298	A177-Y179 PolarHBondContact O-N 2.7Å; A177-L205 HydrophobicContact CB-CB 3.78Å; A177-L205 HydrophobicContact CB-CD2 4.2Å; A177-I296 HydrophobicContact CB-CG2 4.37Å; A177-S297 PolarHBondContact N-O 3.41Å; A177-Y298 VanDerWaalsContact O-CA 3.22Å; A177-Y298 WeakPolarHBondContact O-CA 3.42Å
178	P	98.3	Very high	86.1	Confident	36 Å²	36	45.7 Å²	45.7	23%	0.234	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-41.7	177.6	-27.9	36	0	0	0	112.6	K203 D299 K300	P178-K203 HydrophobicContact CG-CB 4.21Å; P178-D299 WeakPolarHBondContact O-CB 3.31Å; P178-D299 PolarHBondContact O-N 3.16Å; P178-K300 PolarHBondContact O-N 2.75Å
179	Y	98.9	Very high	88.9	Confident	20 Å²	20	38.7 Å²	38.7	8%	0.078	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.9	173	-56.5	-84	0	0	0	110.2	A177 I195 D199 A202 K203 V204 L205 K300 M514 T515	A177-Y179 PolarHBondContact O-N 2.7Å; Y179-I195 HydrophobicContact CD1-CD1 3.97Å; Y179-I195 HydrophobicContact CD1-CG1 4.44Å; Y179-I195 HydrophobicContact CD1-CG2 4.2Å; Y179-I195 HydrophobicContact CD2-CG2 3.8Å; Y179-I195 HydrophobicContact CE1-CG2 4.17Å; Y179-I195 HydrophobicContact CE2-CG2 3.79Å; Y179-I195 HydrophobicContact CG-CD1 4.15Å; Y179-I195 HydrophobicContact CG-CG2 4Å; Y179-D199 PolarHBondContact OH-OD2 2.92Å; Y179-A202 HydrophobicContact CD2-CB 3.99Å; Y179-A202 HydrophobicContact CE2-CB 3.7Å; Y179-K203 PolarHBondContact N-O 2.95Å; Y179-V204 HydrophobicContact CD2-CG2 4.32Å; Y179-V204 WeakPolarHBondContact O-CA 3.29Å; Y179-L205 PolarHBondContact O-N 3.13Å; Y179-K300 WeakPolarHBondContact CA-O 3.49Å; Y179-K300 HydrophobicContact CD1-CB 4.11Å; Y179-K300 HydrophobicContact CD1-CD 4.26Å; Y179-K300 HydrophobicContact CE1-CB 4.48Å; Y179-K300 HydrophobicContact CE1-CD 3.78Å; Y179-M514 HydrophobicContact CD1-CB 4.31Å; Y179-M514 HydrophobicContact CD1-CE 3.9Å; Y179-M514 HydrophobicContact CE1-CB 4.18Å; Y179-T515 HydrophobicContact CE1-CG2 4.3Å
180	L	98.9	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.7	176.4	177.6	68.2	0	0	0	110.6	I182 L205 V207 V288 Y298 K300 C301 L302	L180-I182 HydrophobicContact CD2-CG1 4.4Å; L180-I182 HydrophobicContact CG-CG1 4.33Å; L180-L205 HydrophobicContact CD1-CB 4.41Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; L180-L205 HydrophobicContact CD1-CG 4.35Å; L180-V207 HydrophobicContact CD1-CG2 3.77Å; L180-V288 HydrophobicContact CD2-CB 4.29Å; L180-V288 HydrophobicContact CD2-CG1 3.71Å; L180-V288 HydrophobicContact CD2-CG2 3.55Å; L180-Y298 HydrophobicContact CB-CG 4.32Å; L180-Y298 HydrophobicContact CD2-CD1 3.62Å; L180-Y298 HydrophobicContact CD2-CE1 4.4Å; L180-Y298 HydrophobicContact CD2-CG 4.16Å; L180-K300 PolarHBondContact N-O 2.67Å; L180-C301 CarbonylContact O-C 3.58Å; L180-C301 VanDerWaalsContact O-CA 3.25Å; L180-C301 WeakPolarHBondContact O-CA 3.4Å; L180-L302 PolarHBondContact O-N 2.91Å
181	L	98.9	Very high	93.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.1	177.5	-41.9	-175.2	0	0	0	109.7	S188 A191 A192 I195 V204 L205 I206 V207 L302 M514	L181-S188 VanDerWaalsContact CD1-O 3.3Å; L181-S188 WeakPolarHBondContact CD1-O 3.38Å; L181-A191 HydrophobicContact CD1-CB 4.11Å; L181-A192 HydrophobicContact CD1-CB 3.79Å; L181-I195 HydrophobicContact CD2-CD1 4.16Å; L181-V204 HydrophobicContact CD1-CG1 3.61Å; L181-V204 HydrophobicContact CD2-CG1 4.45Å; L181-V204 HydrophobicContact CG-CG1 3.79Å; L181-L205 PolarHBondContact N-O 2.68Å; L181-I206 HydrophobicContact CB-CG1 4.19Å; L181-I206 HydrophobicContact CD1-CD1 4.47Å; L181-I206 HydrophobicContact CD1-CG1 4.02Å; L181-I206 HydrophobicContact CG-CG1 4.4Å; L181-I206 WeakPolarHBondContact O-CA 3.47Å; L181-V207 PolarHBondContact O-N 2.68Å; L181-L302 HydrophobicContact CB-CB 4.46Å; L181-L302 HydrophobicContact CD2-CB 3.54Å; L181-L302 HydrophobicContact CD2-CD2 4.11Å; L181-L302 HydrophobicContact CD2-CG 4.46Å; L181-M514 HydrophobicContact CD2-CE 3.71Å; L181-M514 HydrophobicContact CD2-SD 4.41Å
182	I	98.9	Very high	96.1	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.1	-176.6	-52.9	176.4	0	0	0	109.5	L180 V278 V288 C301 L302 I303 A304 T305 L451	L180-I182 HydrophobicContact CD2-CG1 4.4Å; L180-I182 HydrophobicContact CG-CG1 4.33Å; I182-V278 HydrophobicContact CD1-CG1 4.28Å; I182-V278 HydrophobicContact CD1-CG2 4.43Å; I182-V278 HydrophobicContact CG1-CG2 4.24Å; I182-V278 HydrophobicContact CG2-CB 3.94Å; I182-V278 HydrophobicContact CG2-CG2 3.82Å; I182-V288 HydrophobicContact CD1-CG1 3.96Å; I182-C301 VanDerWaalsContact CD1-SG 3.58Å; I182-L302 PolarHBondContact N-O 2.92Å; I182-I303 HydrophobicContact CD1-CG1 4.49Å; I182-A304 CarbonylContact O-C 3.54Å; I182-A304 WeakPolarHBondContact O-CA 3.49Å; I182-A304 PolarHBondContact O-N 3.44Å; I182-T305 HydrophobicContact CG2-CG2 3.82Å; I182-T305 PolarHBondContact O-N 3.32Å; I182-L451 HydrophobicContact CD1-CD1 3.96Å; I182-L451 HydrophobicContact CG2-CD1 4Å
183	G	98.6	Very high	97.3	Very high	11 Å²	11	25.6 Å²	25.6	11%	0.113	14%	0.139	C	C	.	.	S	Bend	trans	105.2	133.4	-174.5	0	0	0	0	0	111.7	G185 S188 V207	G183-G185 PolarHBondContact O-N 3.29Å; G183-S188 WeakPolarHBondContact O-CB 3.21Å; G183-S188 PolarHBondContact O-OG 2.94Å; G183-V207 WeakPolarHBondContact CA-O 3.3Å; G183-V207 PolarHBondContact N-O 2.91Å
184	G	98.1	Very high	98	Very high	9 Å²	9	24.3 Å²	24.3	9%	0.093	13%	0.133	C	C	.	.	S	Bend	trans	-93.3	26.3	-176.5	0	0	0	0	0	115.6	T208 P214	G184-T208 WeakPolarHBondContact CA-OG1 3.12Å; G184-T208 PolarHBondContact N-OG1 2.93Å; G184-P214 VanDerWaalsContact O-CA 3.25Å; G184-P214 WeakPolarHBondContact O-CA 3.34Å; G184-P214 WeakPolarHBondContact O-CB 3.33Å
185	G	98.3	Very high	98.4	Very high	13 Å²	13	24 Å²	24	13%	0.134	13%	0.131	C	C	.	.	S	Bend	trans	-91.3	-170.2	-174.3	0	0	0	0	0	115.3	G183 A187 S188 F189	G183-G185 PolarHBondContact O-N 3.29Å; G185-A187 VanDerWaalsContact C-N 3.31Å; G185-A187 PolarHBondContact O-N 2.91Å; G185-S188 PolarHBondContact O-N 2.79Å; G185-F189 PolarHBondContact O-N 2.74Å
186	T	98.8	Very high	98.6	Very high	15 Å²	15	23 Å²	23	9%	0.092	11%	0.113	C	C	.	.	H	α-helix	trans	-49.7	-44.9	178.2	-51.7	0	0	0	0	113.8	F189 A190 F250 A503 V504	T186-F189 PolarHBondContact O-N 2.85Å; T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 2.88Å; T186-F250 HydrophobicContact CG2-CZ 3.95Å; T186-A503 HydrophobicContact CG2-CB 3.88Å; T186-V504 HydrophobicContact CG2-CG2 3.48Å; T186-V504 VanDerWaalsContact CG2-CG2 3.48Å
187	A	98.9	Very high	98.7	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-42.4	-176.7	0	0	0	0	0	112.5	G185 A190 A191 A304 A481 A503 G507	G185-A187 VanDerWaalsContact C-N 3.31Å; G185-A187 PolarHBondContact O-N 2.91Å; A187-A190 PolarHBondContact O-N 2.83Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.22Å; A187-A304 HydrophobicContact CB-CB 4Å; A187-A481 HydrophobicContact CB-CB 3.98Å; A187-A503 VanDerWaalsContact CA-O 3.31Å; A187-A503 WeakPolarHBondContact CA-O 3.42Å; A187-A503 HydrophobicContact CB-CB 4.22Å; A187-G507 WeakPolarHBondContact O-CA 3.36Å
188	S	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66	-40.9	175.1	-68.5	0	0	0	0	112.2	L181 G183 G185 A190 A191 A192 A304	L181-S188 VanDerWaalsContact CD1-O 3.3Å; L181-S188 WeakPolarHBondContact CD1-O 3.38Å; G183-S188 WeakPolarHBondContact O-CB 3.21Å; G183-S188 PolarHBondContact O-OG 2.94Å; G185-S188 PolarHBondContact O-N 2.79Å; S188-A190 PolarHBondContact O-N 2.9Å; S188-A191 PolarHBondContact O-N 2.9Å; S188-A192 WeakPolarHBondContact O-CB 3.45Å; S188-A192 PolarHBondContact O-N 2.85Å; S188-A304 VanDerWaalsContact OG-CB 3.22Å; S188-A304 WeakPolarHBondContact OG-CB 3.42Å
189	F	98.9	Very high	98.7	Very high	23 Å²	23	30 Å²	30	10%	0.101	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-46.6	175.8	-179	-96.5	0	0	0	111.6	G185 T186 A191 A192 R193 P214 F250 Q251	G185-F189 PolarHBondContact O-N 2.74Å; T186-F189 PolarHBondContact O-N 2.85Å; F189-A191 VanDerWaalsContact C-N 3.34Å; F189-A191 PolarHBondContact O-N 2.87Å; F189-A192 PolarHBondContact O-N 3.44Å; F189-R193 WeakPolarHBondContact O-CB 3.39Å; F189-R193 PolarHBondContact O-N 2.89Å; F189-P214 HydrophobicContact CB-CB 4.13Å; F189-P214 HydrophobicContact CD2-CB 4.2Å; F189-F250 HydrophobicContact CB-CD2 3.69Å; F189-F250 HydrophobicContact CB-CE2 4.03Å; F189-F250 HydrophobicContact CB-CG 4.33Å; F189-F250 HydrophobicContact CD1-CB 3.59Å; F189-F250 AromaticContact CD1-CD1 3.95Å; F189-F250 HydrophobicContact CD1-CD1 3.95Å; F189-F250 AromaticContact CD1-CD2 3.79Å; F189-F250 HydrophobicContact CD1-CD2 3.79Å; F189-F250 HydrophobicContact CD1-CE2 4.46Å; F189-F250 AromaticContact CD1-CG 3.52Å; F189-F250 HydrophobicContact CD1-CG 3.52Å; F189-F250 HydrophobicContact CD2-CB 3.67Å; F189-F250 HydrophobicContact CD2-CD2 4.04Å; F189-F250 HydrophobicContact CD2-CG 4.13Å; F189-F250 HydrophobicContact CE1-CB 3.43Å; F189-F250 VanDerWaalsContact CE1-CB 3.43Å; F189-F250 HydrophobicContact CE1-CD1 4.19Å; F189-F250 AromaticContact CE1-CG 3.84Å; F189-F250 HydrophobicContact CE1-CG 3.84Å; F189-F250 HydrophobicContact CE2-CB 3.51Å; F189-F250 HydrophobicContact CE2-CG 4.4Å; F189-F250 HydrophobicContact CG-CB 3.72Å; F189-F250 AromaticContact CG-CD2 3.53Å; F189-F250 HydrophobicContact CG-CD2 3.53Å; F189-F250 HydrophobicContact CG-CE2 4.28Å; F189-F250 AromaticContact CG-CG 3.69Å; F189-F250 HydrophobicContact CG-CG 3.69Å; F189-F250 HydrophobicContact CZ-CB 3.39Å; F189-F250 HydrophobicContact CZ-CG 4.27Å; F189-Q251 HydrophobicContact CE2-CB 4.35Å; F189-Q251 HydrophobicContact CE2-CG 3.9Å; F189-Q251 HydrophobicContact CZ-CB 4.39Å; F189-Q251 HydrophobicContact CZ-CG 4.41Å
190	A	98.9	Very high	98.6	Very high	10 Å²	10	33 Å²	33	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-39.3	177	0	0	0	0	0	112.4	T186 A187 S188 S194 V504	T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 2.88Å; A187-A190 PolarHBondContact O-N 2.83Å; S188-A190 PolarHBondContact O-N 2.9Å; A190-S194 WeakPolarHBondContact O-CB 3.34Å; A190-S194 PolarHBondContact O-N 2.83Å; A190-V504 WeakPolarHBondContact CB-O 3.48Å
191	A	98.9	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-47.8	175.3	0	0	0	0	0	112.1	L181 A187 S188 F189 R193 S194 I195 L302 G507	L181-A191 HydrophobicContact CD1-CB 4.11Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.22Å; S188-A191 PolarHBondContact O-N 2.9Å; F189-A191 VanDerWaalsContact C-N 3.34Å; F189-A191 PolarHBondContact O-N 2.87Å; A191-R193 VanDerWaalsContact C-N 3.34Å; A191-R193 PolarHBondContact O-N 2.56Å; A191-S194 PolarHBondContact O-N 2.82Å; A191-S194 VanDerWaalsContact O-N 3.1Å; A191-I195 VanDerWaalsContact O-CG1 3.25Å; A191-I195 WeakPolarHBondContact O-CG1 3.37Å; A191-I195 PolarHBondContact O-N 3.23Å; A191-L302 HydrophobicContact CB-CD2 3.33Å; A191-G507 WeakPolarHBondContact CA-O 3.44Å; A191-G507 VanDerWaalsContact CB-O 3.23Å; A191-G507 WeakPolarHBondContact CB-O 3.3Å
192	A	98.9	Very high	98.5	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-46.5	177.7	0	0	0	0	0	111.5	L181 S188 F189 S194 I195 R196 V204 I206 V270	L181-A192 HydrophobicContact CD1-CB 3.79Å; S188-A192 WeakPolarHBondContact O-CB 3.45Å; S188-A192 PolarHBondContact O-N 2.85Å; F189-A192 PolarHBondContact O-N 3.44Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 3.05Å; A192-I195 PolarHBondContact O-N 3.28Å; A192-R196 WeakPolarHBondContact O-CG 3.42Å; A192-R196 PolarHBondContact O-N 3.17Å; A192-V204 HydrophobicContact CB-CG1 4.01Å; A192-I206 HydrophobicContact CB-CD1 4.12Å; A192-V270 HydrophobicContact CB-CG1 4.01Å; A192-V270 HydrophobicContact CB-CG2 4.17Å
193	R	98.8	Very high	98.5	Very high	183 Å²	183	40.4 Å²	40.4	69%	0.691	21%	0.212	S	C	*	.	H	α-helix	trans	-59.2	-44.1	174.5	-177.2	176.4	178.1	154.5	0.1	111.7	F189 A191 A197	F189-R193 WeakPolarHBondContact O-CB 3.39Å; F189-R193 PolarHBondContact O-N 2.89Å; A191-R193 VanDerWaalsContact C-N 3.34Å; A191-R193 PolarHBondContact O-N 2.56Å; R193-A197 VanDerWaalsContact O-CB 3.29Å; R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 2.84Å
194	S	98.9	Very high	98.5	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-68.3	-36.5	-179.7	-167.9	0	0	0	0	113.5	A190 A191 A192 R198 R508 E512	A190-S194 WeakPolarHBondContact O-CB 3.34Å; A190-S194 PolarHBondContact O-N 2.83Å; A191-S194 PolarHBondContact O-N 2.82Å; A191-S194 VanDerWaalsContact O-N 3.1Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 3.05Å; S194-R198 WeakPolarHBondContact O-CG 3.26Å; S194-R198 PolarHBondContact O-N 3.33Å; S194-R508 WeakPolarHBondContact CB-O 3.12Å; S194-R508 PolarHBondContact OG-O 3.04Å; S194-E512 VanDerWaalsContact OG-CG 3.22Å; S194-E512 WeakPolarHBondContact OG-CG 3.42Å
195	I	98.9	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-54.9	175.6	-69.8	161.8	0	0	0	108.7	Y179 L181 A191 A192 A197 R198 D199 A202 V204 M514 T515	Y179-I195 HydrophobicContact CD1-CD1 3.97Å; Y179-I195 HydrophobicContact CD1-CG1 4.44Å; Y179-I195 HydrophobicContact CD1-CG2 4.2Å; Y179-I195 HydrophobicContact CD2-CG2 3.8Å; Y179-I195 HydrophobicContact CE1-CG2 4.17Å; Y179-I195 HydrophobicContact CE2-CG2 3.79Å; Y179-I195 HydrophobicContact CG-CD1 4.15Å; Y179-I195 HydrophobicContact CG-CG2 4Å; L181-I195 HydrophobicContact CD2-CD1 4.16Å; A191-I195 VanDerWaalsContact O-CG1 3.25Å; A191-I195 WeakPolarHBondContact O-CG1 3.37Å; A191-I195 PolarHBondContact O-N 3.23Å; A192-I195 PolarHBondContact O-N 3.28Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.38Å; I195-R198 PolarHBondContact O-N 2.91Å; I195-D199 PolarHBondContact O-N 2.81Å; I195-A202 HydrophobicContact CG2-CB 3.53Å; I195-V204 HydrophobicContact CB-CG2 4.27Å; I195-V204 HydrophobicContact CG2-CG2 3.75Å; I195-M514 HydrophobicContact CD1-CE 3.98Å; I195-M514 HydrophobicContact CD1-SD 4.22Å; I195-T515 HydrophobicContact CB-CG2 4.35Å; I195-T515 HydrophobicContact CG1-CG2 4.3Å; I195-T515 HydrophobicContact CG2-CG2 4.08Å
196	R	98.5	Very high	98.6	Very high	67 Å²	67	38.9 Å²	38.9	25%	0.253	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-33.1	179.9	-69.5	-70.1	-64.9	162.5	5.4	113.6	A192 R198 D199 P200 A202 V204 N267 V270	A192-R196 WeakPolarHBondContact O-CG 3.42Å; A192-R196 PolarHBondContact O-N 3.17Å; R196-R198 VanDerWaalsContact C-N 3.29Å; R196-R198 PolarHBondContact O-N 2.91Å; R196-D199 WeakPolarHBondContact CA-O 3.31Å; R196-D199 CarbonylContact O-C 3.44Å; R196-P200 VanDerWaalsContact NH1-C 3.33Å; R196-P200 PolarHBondContact NH1-O 3.5Å; R196-P200 PolarHBondContact NH2-O 3.01Å; R196-P200 WeakPolarHBondContact O-CA 3.26Å; R196-A202 VanDerWaalsContact CD-O 3.27Å; R196-A202 WeakPolarHBondContact CD-O 3.07Å; R196-A202 PolarHBondContact NH1-O 3.08Å; R196-V204 HydrophobicContact CG-CG2 4.44Å; R196-N267 VanDerWaalsContact CZ-O 3.28Å; R196-N267 PolarHBondContact NH1-O 3.03Å; R196-N267 PolarHBondContact NH2-O 3.15Å; R196-V270 HydrophobicContact CG-CG2 3.69Å
197	A	98.4	Very high	98.6	Very high	79 Å²	79	38.2 Å²	38.2	65%	0.653	19%	0.192	S	C	*	.	H	α-helix	trans	-69.4	-26.1	176.7	0	0	0	0	0	113.4	R193 I195	R193-A197 VanDerWaalsContact O-CB 3.29Å; R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 2.84Å; I195-A197 VanDerWaalsContact C-N 3.27Å; I195-A197 PolarHBondContact O-N 3.38Å
198	R	98.4	Very high	98.6	Very high	125 Å²	125	38 Å²	38	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-101.5	-26	-178.3	-68.4	178.5	57.8	72.4	7.4	113.1	S194 I195 R196 T515	S194-R198 WeakPolarHBondContact O-CG 3.26Å; S194-R198 PolarHBondContact O-N 3.33Å; I195-R198 PolarHBondContact O-N 2.91Å; R196-R198 VanDerWaalsContact C-N 3.29Å; R196-R198 PolarHBondContact O-N 2.91Å; R198-T515 HydrophobicContact CB-CG2 4.33Å; R198-T515 VanDerWaalsContact CD-OG1 3.26Å; R198-T515 WeakPolarHBondContact CD-OG1 3.35Å; R198-T515 PolarHBondContact NE-OG1 3.21Å
199	D	98.1	Very high	98.5	Very high	50 Å²	50	41.6 Å²	41.6	27%	0.267	21%	0.209	S	C	.	.			trans	-133.1	88.9	178.2	-179.4	-0	0	0	0	107.8	Y179 I195 R196 D201 A202 T515	Y179-D199 PolarHBondContact OH-OD2 2.92Å; I195-D199 PolarHBondContact O-N 2.81Å; R196-D199 WeakPolarHBondContact CA-O 3.31Å; R196-D199 CarbonylContact O-C 3.44Å; D199-D201 PolarHBondContact O-N 3.38Å; D199-D201 VanDerWaalsContact O-N 3.11Å; D199-D201 PolarHBondContact OD1-N 3.34Å; D199-A202 HydrophobicContact CB-CB 3.96Å; D199-A202 VanDerWaalsContact O-CB 3.22Å; D199-A202 WeakPolarHBondContact O-CB 3.49Å; D199-A202 PolarHBondContact O-N 2.93Å; D199-A202 PolarHBondContact OD1-N 2.85Å; D199-T515 HydrophobicContact CB-CG2 4.23Å
200	P	97.4	Very high	98.4	Very high	83 Å²	83	41.1 Å²	41.1	54%	0.539	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.7	-176.5	-25.2	36.2	0	0	0	115.2	R196 N267	R196-P200 VanDerWaalsContact NH1-C 3.33Å; R196-P200 PolarHBondContact NH1-O 3.5Å; R196-P200 PolarHBondContact NH2-O 3.01Å; R196-P200 WeakPolarHBondContact O-CA 3.26Å; P200-N267 VanDerWaalsContact O-O 3.05Å
201	D	97.4	Very high	98.3	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	1	178.5	-58.9	-41.3	0	0	0	112	D199 K203 G268	D199-D201 PolarHBondContact O-N 3.38Å; D199-D201 VanDerWaalsContact O-N 3.11Å; D199-D201 PolarHBondContact OD1-N 3.34Å; D201-K203 PolarHBondContact O-N 3.18Å; D201-G268 WeakPolarHBondContact O-CA 3.48Å
202	A	98.3	Very high	98.3	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	23%	0.233	C	C	.	.			trans	-58.5	134.9	-177.2	0	0	0	0	0	112.5	Y179 I195 R196 D199 V204 G269	Y179-A202 HydrophobicContact CD2-CB 3.99Å; Y179-A202 HydrophobicContact CE2-CB 3.7Å; I195-A202 HydrophobicContact CG2-CB 3.53Å; R196-A202 VanDerWaalsContact CD-O 3.27Å; R196-A202 WeakPolarHBondContact CD-O 3.07Å; R196-A202 PolarHBondContact NH1-O 3.08Å; D199-A202 HydrophobicContact CB-CB 3.96Å; D199-A202 VanDerWaalsContact O-CB 3.22Å; D199-A202 WeakPolarHBondContact O-CB 3.49Å; D199-A202 PolarHBondContact O-N 2.93Å; D199-A202 PolarHBondContact OD1-N 2.85Å; A202-V204 HydrophobicContact CB-CG2 4.22Å; A202-G269 PolarHBondContact O-N 3.46Å
203	K	98.6	Very high	98.3	Very high	59 Å²	59	47.2 Å²	47.2	26%	0.257	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	108.5	171	-69.4	168.3	-179.9	172.7	0	108.8	P178 Y179 D201 L262 S263 A265	P178-K203 HydrophobicContact CG-CB 4.21Å; Y179-K203 PolarHBondContact N-O 2.95Å; D201-K203 PolarHBondContact O-N 3.18Å; K203-L262 HydrophobicContact CB-CD1 4.1Å; K203-L262 HydrophobicContact CB-CG 4.13Å; K203-L262 VanDerWaalsContact CD-O 3.25Å; K203-L262 WeakPolarHBondContact CD-O 3.35Å; K203-L262 WeakPolarHBondContact CE-O 3.42Å; K203-L262 HydrophobicContact CG-CD1 4.3Å; K203-L262 HydrophobicContact CG-CG 4.48Å; K203-S263 PolarHBondContact NZ-O 3.23Å; K203-A265 VanDerWaalsContact CE-O 3.23Å; K203-A265 WeakPolarHBondContact CE-O 3.34Å
204	V	98.8	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.4	-174.8	-172.6	0	0	0	0	109.3	Y179 L181 A192 I195 R196 A202 G269 V270 A271	Y179-V204 HydrophobicContact CD2-CG2 4.32Å; Y179-V204 WeakPolarHBondContact O-CA 3.29Å; L181-V204 HydrophobicContact CD1-CG1 3.61Å; L181-V204 HydrophobicContact CD2-CG1 4.45Å; L181-V204 HydrophobicContact CG-CG1 3.79Å; A192-V204 HydrophobicContact CB-CG1 4.01Å; I195-V204 HydrophobicContact CB-CG2 4.27Å; I195-V204 HydrophobicContact CG2-CG2 3.75Å; R196-V204 HydrophobicContact CG-CG2 4.44Å; A202-V204 HydrophobicContact CB-CG2 4.22Å; V204-G269 PolarHBondContact N-O 3.08Å; V204-V270 HydrophobicContact CB-CG1 4.42Å; V204-V270 HydrophobicContact CB-CG2 4.24Å; V204-V270 WeakPolarHBondContact O-CA 2.99Å; V204-A271 PolarHBondContact O-N 3.3Å
205	L	98.8	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.9	173.6	-177.5	64.7	0	0	0	109.8	P174 A177 Y179 L180 L181 V207 A259 L262 A271 L273 I296	P174-L205 HydrophobicContact CG-CD2 3.96Å; A177-L205 HydrophobicContact CB-CB 3.78Å; A177-L205 HydrophobicContact CB-CD2 4.2Å; Y179-L205 PolarHBondContact O-N 3.13Å; L180-L205 HydrophobicContact CD1-CB 4.41Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; L180-L205 HydrophobicContact CD1-CG 4.35Å; L181-L205 PolarHBondContact N-O 2.68Å; L205-V207 HydrophobicContact CD2-CG2 4.18Å; L205-V207 HydrophobicContact CG-CG2 4.13Å; L205-A259 HydrophobicContact CD1-CB 4.33Å; L205-L262 HydrophobicContact CB-CD2 3.96Å; L205-L262 HydrophobicContact CD1-CD2 4.37Å; L205-A271 HydrophobicContact CD1-CB 4.07Å; L205-L273 HydrophobicContact CD1-CB 4.32Å; L205-I296 HydrophobicContact CD2-CD1 3.86Å; L205-I296 HydrophobicContact CD2-CG2 4.27Å
206	I	98.9	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.2	168.6	-58.9	179	0	0	0	108	L181 A192 P214 V270 A271 V272 L273	L181-I206 HydrophobicContact CB-CG1 4.19Å; L181-I206 HydrophobicContact CD1-CD1 4.47Å; L181-I206 HydrophobicContact CD1-CG1 4.02Å; L181-I206 HydrophobicContact CG-CG1 4.4Å; L181-I206 WeakPolarHBondContact O-CA 3.47Å; A192-I206 HydrophobicContact CB-CD1 4.12Å; I206-P214 HydrophobicContact CD1-CG 4.26Å; I206-V270 HydrophobicContact CD1-CG1 3.92Å; I206-V270 HydrophobicContact CG1-CG1 4.23Å; I206-A271 PolarHBondContact N-O 2.83Å; I206-V272 HydrophobicContact CB-CG1 4.28Å; I206-V272 HydrophobicContact CB-CG2 4.23Å; I206-V272 HydrophobicContact CD1-CG2 4.33Å; I206-V272 HydrophobicContact CG2-CG1 4.21Å; I206-V272 CarbonylContact O-C 3.59Å; I206-V272 WeakPolarHBondContact O-CA 3.48Å; I206-L273 PolarHBondContact O-N 3.39Å
207	V	98.8	Very high	98.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.1	173.2	-178.3	0	0	0	0	109	L180 L181 G183 L205 L273 R276 V278 L290	L180-V207 HydrophobicContact CD1-CG2 3.77Å; L181-V207 PolarHBondContact O-N 2.68Å; G183-V207 WeakPolarHBondContact CA-O 3.3Å; G183-V207 PolarHBondContact N-O 2.91Å; L205-V207 HydrophobicContact CD2-CG2 4.18Å; L205-V207 HydrophobicContact CG-CG2 4.13Å; V207-L273 HydrophobicContact CG2-CB 4.37Å; V207-L273 HydrophobicContact CG2-CD2 4.4Å; V207-R276 HydrophobicContact CG1-CB 4.12Å; V207-R276 WeakPolarHBondContact CG1-O 3.22Å; V207-V278 HydrophobicContact CB-CG2 4.25Å; V207-V278 HydrophobicContact CG1-CG2 3.9Å; V207-L290 HydrophobicContact CG1-CD2 3.95Å
208	T	98.3	Very high	98.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.179	C	C	.	.			trans	-138.7	137.3	-176.3	-171.6	0	0	0	0	111.9	G184 E210 V272 L273 T274 G275 R276	G184-T208 WeakPolarHBondContact CA-OG1 3.12Å; G184-T208 PolarHBondContact N-OG1 2.93Å; T208-E210 VanDerWaalsContact C-N 3.27Å; T208-E210 PolarHBondContact OG1-N 2.96Å; T208-V272 HydrophobicContact CG2-CG1 3.9Å; T208-L273 PolarHBondContact N-O 3.17Å; T208-T274 HydrophobicContact CG2-CG2 3.91Å; T208-T274 CarbonylContact O-C 3.57Å; T208-G275 PolarHBondContact O-N 2.84Å; T208-R276 CarbonylContact C-O 3.5Å; T208-R276 PolarHBondContact O-N 3.26Å
209	D	97.3	Very high	98.2	Very high	75 Å²	75	28.6 Å²	28.6	40%	0.401	16%	0.156	S	C	.	.	S	Bend	trans	-77.6	-16.3	177	68.5	-34.7	0	0	0	112.3	R276 K277 K331	D209-R276 PolarHBondContact N-O 3.16Å; D209-K277 HydrophobicContact CB-CB 4.01Å; D209-K277 HydrophobicContact CB-CG 4.34Å; D209-K331 IonicContact OD2-NZ 3.68Å
210	E	97.6	Very high	98.2	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.061	14%	0.144	C	C	.	.	S	Bend	trans	-74.8	145.4	172.6	-62.1	-170.5	-137.5	0	0	110.9	T208 D212 Y215 R217 T274 G275 K331	T208-E210 VanDerWaalsContact C-N 3.27Å; T208-E210 PolarHBondContact OG1-N 2.96Å; E210-D212 PolarHBondContact O-N 2.98Å; E210-Y215 VanDerWaalsContact OE2-CE1 3.3Å; E210-Y215 WeakPolarHBondContact OE2-CE1 3.33Å; E210-Y215 PolarHBondContact OE2-OH 2.86Å; E210-R217 IonicContact OE1-CZ 3.02Å; E210-R217 IonicContact OE1-NH1 3.37Å; E210-R217 IonicContact OE1-NH2 3.75Å; E210-R217 PolarHBondContact OE1-NH2 3.48Å; E210-T274 WeakPolarHBondContact O-CB 3.33Å; E210-G275 PolarHBondContact O-N 2.91Å; E210-K331 HydrophobicContact CG-CD 3.9Å; E210-K331 WeakPolarHBondContact OE1-CE 3.48Å; E210-K331 IonicContact OE1-NZ 2.96Å
211	P	97.3	Very high	98.3	Very high	79 Å²	79	22.7 Å²	22.7	51%	0.513	12%	0.121	S	C	.	.	S	Bend	trans	-72.1	-17.9	175.6	31.2	-35.1	0	0	0	112.3
212	D	98.1	Very high	98.3	Very high	22 Å²	22	18.5 Å²	18.5	12%	0.118	10%	0.098	C	C	.	.	S	Bend	trans	-87.5	148.9	-175.2	-55.4	-76	0	0	0	112.9	E210 Y215 Y249 I332	E210-D212 PolarHBondContact O-N 2.98Å; D212-Y215 HydrophobicContact CB-CD1 4.14Å; D212-Y215 HydrophobicContact CB-CE1 4.15Å; D212-Y249 HydrophobicContact CB-CE1 4.25Å; D212-Y249 PolarHBondContact OD1-OH 3.02Å; D212-I332 HydrophobicContact CB-CD1 4.06Å
213	L	98.6	Very high	98.2	Very high	40 Å²	40	18.6 Å²	18.6	21%	0.209	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-65	162.1	166.6	-69.3	175.6	0	0	0	111.4	Y215 Y249 P253 Y256 V272 T274	L213-Y215 WeakPolarHBondContact O-CD1 3.27Å; L213-Y215 PolarHBondContact O-N 3.4Å; L213-Y249 HydrophobicContact CB-CD1 4.18Å; L213-Y249 HydrophobicContact CB-CE1 4.34Å; L213-P253 HydrophobicContact CD1-CB 3.78Å; L213-P253 HydrophobicContact CD1-CG 3.94Å; L213-Y256 HydrophobicContact CD1-CD2 4.02Å; L213-Y256 HydrophobicContact CD1-CE2 4.03Å; L213-Y256 HydrophobicContact CD2-CD2 4.22Å; L213-Y256 HydrophobicContact CD2-CE2 4.3Å; L213-V272 HydrophobicContact CD2-CB 3.79Å; L213-V272 HydrophobicContact CD2-CG1 4.13Å; L213-V272 HydrophobicContact CD2-CG2 3.97Å; L213-T274 HydrophobicContact CD2-CG2 4.34Å
214	P	98.7	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-53.5	126.8	-178.6	-28.4	35.5	0	0	0	114.8	G184 F189 I206 F250 V272	G184-P214 VanDerWaalsContact O-CA 3.25Å; G184-P214 WeakPolarHBondContact O-CA 3.34Å; G184-P214 WeakPolarHBondContact O-CB 3.33Å; F189-P214 HydrophobicContact CB-CB 4.13Å; F189-P214 HydrophobicContact CD2-CB 4.2Å; I206-P214 HydrophobicContact CD1-CG 4.26Å; P214-F250 VanDerWaalsContact C-CD2 3.49Å; P214-F250 HydrophobicContact CB-CD2 3.88Å; P214-F250 HydrophobicContact CB-CE2 4.46Å; P214-F250 WeakPolarHBondContact O-CD2 3.4Å; P214-F250 PolarHBondContact O-N 3.09Å; P214-F250 VanDerWaalsContact O-N 3.12Å; P214-V272 HydrophobicContact CG-CG2 4.28Å
215	Y	98.8	Very high	98.1	Very high	6 Å²	6	16 Å²	16	2%	0.024	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-139.4	160.8	-176.4	69.4	-90.7	0	0	0	112.9	E210 D212 L213 R217 L220 I248 F250 K331 I332	E210-Y215 VanDerWaalsContact OE2-CE1 3.3Å; E210-Y215 WeakPolarHBondContact OE2-CE1 3.33Å; E210-Y215 PolarHBondContact OE2-OH 2.86Å; D212-Y215 HydrophobicContact CB-CD1 4.14Å; D212-Y215 HydrophobicContact CB-CE1 4.15Å; L213-Y215 WeakPolarHBondContact O-CD1 3.27Å; L213-Y215 PolarHBondContact O-N 3.4Å; Y215-R217 HydrophobicContact CE2-CG 4.02Å; Y215-R217 PolarHBondContact OH-NH1 3.07Å; Y215-L220 HydrophobicContact CE2-CD1 3.98Å; Y215-I248 WeakPolarHBondContact CA-O 3.4Å; Y215-I248 WeakPolarHBondContact CB-O 3.26Å; Y215-I248 HydrophobicContact CD2-CD1 3.79Å; Y215-I248 HydrophobicContact CD2-CG1 4.13Å; Y215-I248 HydrophobicContact CE2-CD1 4.43Å; Y215-F250 WeakPolarHBondContact O-CE2 3.46Å; Y215-K331 WeakPolarHBondContact OH-CA 3.47Å; Y215-I332 HydrophobicContact CD1-CD1 3.58Å; Y215-I332 HydrophobicContact CD1-CG1 4.46Å; Y215-I332 HydrophobicContact CD2-CD1 3.89Å; Y215-I332 HydrophobicContact CD2-CG1 4.11Å; Y215-I332 HydrophobicContact CE1-CD1 3.63Å; Y215-I332 HydrophobicContact CE1-CG1 4.17Å; Y215-I332 HydrophobicContact CE2-CD1 3.94Å; Y215-I332 HydrophobicContact CE2-CG1 3.79Å; Y215-I332 HydrophobicContact CG-CD1 3.72Å; Y215-I332 HydrophobicContact CG-CG1 4.44Å; Y215-I332 PolarHBondContact OH-N 2.88Å
216	M	98	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	10%	0.097	C	C	.	.			trans	-89.3	133.2	177	71.5	-170.1	74.3	0	0	111.8	P219 F238 I248 F250 I573	M216-P219 HydrophobicContact CG-CG 3.86Å; M216-P219 HydrophobicContact SD-CG 4.13Å; M216-F238 HydrophobicContact SD-CZ 4.49Å; M216-I248 HydrophobicContact CG-CG1 4.13Å; M216-I248 WeakPolarHBondContact CG-O 3.41Å; M216-I248 PolarHBondContact N-O 3.48Å; M216-I248 WeakPolarHBondContact O-CD1 3.35Å; M216-I248 WeakPolarHBondContact O-CG1 3.37Å; M216-F250 HydrophobicContact CB-CE1 3.7Å; M216-F250 HydrophobicContact CB-CZ 3.8Å; M216-F250 HydrophobicContact CE-CD1 4.15Å; M216-F250 HydrophobicContact CE-CE1 4.26Å; M216-I573 HydrophobicContact SD-CD1 3.79Å; M216-I573 HydrophobicContact SD-CG1 4.15Å
217	R	98.3	Very high	97.4	Very high	43 Å²	43	19.7 Å²	19.7	16%	0.162	11%	0.106	C	C	.	.	S	Bend	trans	-81.7	-29.4	-176.9	-57.2	-175.9	-174	-81.8	-4.3	116.3	E210 Y215 P219 L220 R330	E210-R217 IonicContact OE1-CZ 3.02Å; E210-R217 IonicContact OE1-NH1 3.37Å; E210-R217 IonicContact OE1-NH2 3.75Å; E210-R217 PolarHBondContact OE1-NH2 3.48Å; Y215-R217 HydrophobicContact CE2-CG 4.02Å; Y215-R217 PolarHBondContact OH-NH1 3.07Å; R217-P219 VanDerWaalsContact C-CD 3.46Å; R217-L220 HydrophobicContact CB-CD1 4.43Å; R217-L220 VanDerWaalsContact O-CB 3.29Å; R217-L220 WeakPolarHBondContact O-CB 3.42Å; R217-L220 WeakPolarHBondContact O-CG 3.38Å; R217-L220 PolarHBondContact O-N 3.05Å; R217-R330 PolarHBondContact NH1-O 2.71Å; R217-R330 VanDerWaalsContact NH1-O 3.13Å
218	P	98.2	Very high	96.9	Very high	20 Å²	20	26.1 Å²	26.1	13%	0.13	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-53.6	-38.9	-174.9	-27.4	34.3	0	0	0	116.4	L220 K222 H500 W528	P218-L220 PolarHBondContact O-N 2.77Å; P218-K222 PolarHBondContact O-NZ 3.37Å; P218-H500 HydrophobicContact CG-CB 4.34Å; P218-W528 HydrophobicContact CB-CZ2 3.92Å; P218-W528 HydrophobicContact CG-CH2 4.01Å; P218-W528 HydrophobicContact CG-CZ2 3.87Å
219	P	98.3	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64	-22	178.6	-24.9	36.4	0	0	0	114.4	M216 R217 S221 K222 L224 F238	M216-P219 HydrophobicContact CG-CG 3.86Å; M216-P219 HydrophobicContact SD-CG 4.13Å; R217-P219 VanDerWaalsContact C-CD 3.46Å; P219-S221 PolarHBondContact O-N 3.19Å; P219-K222 CarbonylContact O-C 3.54Å; P219-K222 PolarHBondContact O-N 3.35Å; P219-K222 VanDerWaalsContact O-N 3.1Å; P219-L224 HydrophobicContact CB-CD1 4.22Å; P219-L224 HydrophobicContact CB-CG 4.28Å; P219-L224 WeakPolarHBondContact O-CB 3.2Å; P219-L224 PolarHBondContact O-N 3.21Å; P219-F238 HydrophobicContact CB-CD1 3.92Å; P219-F238 HydrophobicContact CB-CD2 4.44Å; P219-F238 HydrophobicContact CB-CE1 3.71Å; P219-F238 HydrophobicContact CB-CE2 4.22Å; P219-F238 HydrophobicContact CB-CG 4.29Å; P219-F238 HydrophobicContact CB-CZ 3.86Å; P219-F238 HydrophobicContact CG-CD1 4.24Å; P219-F238 HydrophobicContact CG-CE1 3.51Å; P219-F238 HydrophobicContact CG-CE2 4.03Å; P219-F238 HydrophobicContact CG-CZ 3.37Å
220	L	98.4	Very high	96.1	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.7	-27	-177.2	-66.1	179.1	0	0	0	113.4	Y215 R217 P218 L224 W225 I248 F329 R330 I332 F335	Y215-L220 HydrophobicContact CE2-CD1 3.98Å; R217-L220 HydrophobicContact CB-CD1 4.43Å; R217-L220 VanDerWaalsContact O-CB 3.29Å; R217-L220 WeakPolarHBondContact O-CB 3.42Å; R217-L220 WeakPolarHBondContact O-CG 3.38Å; R217-L220 PolarHBondContact O-N 3.05Å; P218-L220 PolarHBondContact O-N 2.77Å; L220-L224 HydrophobicContact CD2-CD1 3.87Å; L220-W225 PolarHBondContact O-NE1 3.49Å; L220-I248 HydrophobicContact CD2-CD1 3.49Å; L220-I248 VanDerWaalsContact CD2-CD1 3.49Å; L220-I248 HydrophobicContact CG-CD1 3.94Å; L220-F329 HydrophobicContact CB-CE1 3.94Å; L220-F329 HydrophobicContact CB-CZ 4.26Å; L220-F329 WeakPolarHBondContact O-CZ 3.34Å; L220-R330 WeakPolarHBondContact CD1-O 3.48Å; L220-I332 HydrophobicContact CD2-CG1 4.05Å; L220-F335 HydrophobicContact CD2-CB 3.9Å; L220-F335 HydrophobicContact CD2-CG 4.31Å
221	S	98.1	Very high	95.9	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.049	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-110.7	5.3	177.4	53.4	0	0	0	0	113.3	P219 E359	P219-S221 PolarHBondContact O-N 3.19Å; S221-E359 WeakPolarHBondContact CB-OE2 3.21Å; S221-E359 PolarHBondContact OG-OE2 2.82Å
222	K	97.9	Very high	95.8	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.048	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-112.8	-171.5	-64.5	177.6	-173.6	64.5	0	110.5	P218 P219 L224 W225 F226 W241 E359 D530	P218-K222 PolarHBondContact O-NZ 3.37Å; P219-K222 CarbonylContact O-C 3.54Å; P219-K222 PolarHBondContact O-N 3.35Å; P219-K222 VanDerWaalsContact O-N 3.1Å; K222-L224 PolarHBondContact O-N 3.05Å; K222-L224 VanDerWaalsContact O-N 3.07Å; K222-W225 WeakPolarHBondContact O-CB 3.29Å; K222-W225 PolarHBondContact O-N 2.93Å; K222-F226 VanDerWaalsContact O-CD2 3.31Å; K222-F226 WeakPolarHBondContact O-CD2 3.37Å; K222-W241 HydrophobicContact CB-CZ2 4.34Å; K222-E359 WeakPolarHBondContact CE-OE1 3.47Å; K222-E359 IonicContact NZ-OE1 3.19Å; K222-E359 PolarHBondContact NZ-OE1 2.99Å; K222-E359 IonicContact NZ-OE2 3.94Å; K222-E359 PolarHBondContact NZ-OE2 3.04Å; K222-D530 HydrophobicContact CD-CB 4.21Å
223	E	97.5	Very high	95.6	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31.7	-166.1	-64.5	95	145.7	0	0	114.2	W225 F226 F238 W241	E223-W225 PolarHBondContact O-N 3.27Å; E223-W225 VanDerWaalsContact O-N 3.17Å; E223-F226 PolarHBondContact O-N 2.92Å; E223-F238 HydrophobicContact CB-CB 4.11Å; E223-F238 HydrophobicContact CB-CD2 3.42Å; E223-F238 VanDerWaalsContact CB-CD2 3.42Å; E223-F238 HydrophobicContact CB-CE2 4.14Å; E223-F238 HydrophobicContact CB-CG 4.06Å; E223-F238 HydrophobicContact CG-CD2 3.92Å; E223-F238 HydrophobicContact CG-CE2 4.23Å; E223-W241 HydrophobicContact CG-CD2 4.2Å; E223-W241 HydrophobicContact CG-CE3 4.3Å; E223-W241 HydrophobicContact CG-CH2 3.96Å; E223-W241 HydrophobicContact CG-CZ2 3.85Å; E223-W241 HydrophobicContact CG-CZ3 4.19Å
224	L	97.6	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.7	176.9	-76.9	169.2	0	0	0	113.3	P219 L220 K222 V232 F238 I248 F335	P219-L224 HydrophobicContact CB-CD1 4.22Å; P219-L224 HydrophobicContact CB-CG 4.28Å; P219-L224 WeakPolarHBondContact O-CB 3.2Å; P219-L224 PolarHBondContact O-N 3.21Å; L220-L224 HydrophobicContact CD2-CD1 3.87Å; K222-L224 PolarHBondContact O-N 3.05Å; K222-L224 VanDerWaalsContact O-N 3.07Å; L224-V232 HydrophobicContact CD2-CG2 3.54Å; L224-F238 HydrophobicContact CD2-CB 3.85Å; L224-F238 HydrophobicContact CD2-CD1 4.49Å; L224-F238 HydrophobicContact CG-CB 4.13Å; L224-I248 HydrophobicContact CD1-CD1 4.07Å; L224-F335 HydrophobicContact CB-CD2 4.38Å; L224-F335 HydrophobicContact CB-CE1 4.32Å; L224-F335 HydrophobicContact CB-CE2 3.69Å; L224-F335 HydrophobicContact CB-CZ 3.66Å; L224-F335 HydrophobicContact CD1-CD1 4.33Å; L224-F335 HydrophobicContact CD1-CE1 4.21Å; L224-F335 HydrophobicContact CD1-CZ 4.37Å; L224-F335 HydrophobicContact CD2-CE1 4.4Å; L224-F335 HydrophobicContact CD2-CZ 4.38Å; L224-F335 HydrophobicContact CG-CZ 4.37Å
225	W	96	Very high	95.3	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.023	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-86.5	-10.8	176.5	-66	90.2	0	0	0	113.9	L220 K222 E223 F329 F335 L338 D339 L360 A363 L364	L220-W225 PolarHBondContact O-NE1 3.49Å; K222-W225 WeakPolarHBondContact O-CB 3.29Å; K222-W225 PolarHBondContact O-N 2.93Å; E223-W225 PolarHBondContact O-N 3.27Å; E223-W225 VanDerWaalsContact O-N 3.17Å; W225-F329 HydrophobicContact CZ2-CE2 4.16Å; W225-F329 HydrophobicContact CZ2-CZ 4.38Å; W225-F335 HydrophobicContact CD2-CD2 4.5Å; W225-F335 HydrophobicContact CD2-CE2 4.18Å; W225-F335 AromaticContact CE2-CD2 3.69Å; W225-F335 AromaticContact CE2-CE2 3.82Å; W225-F335 HydrophobicContact CG-CE2 4.44Å; W225-F335 AromaticContact CZ2-CD2 3.75Å; W225-F335 HydrophobicContact CZ2-CD2 3.75Å; W225-F335 HydrophobicContact CZ2-CE2 4.14Å; W225-F335 AromaticContact NE1-CD2 3.62Å; W225-F335 AromaticContact NE1-CE2 3.86Å; W225-L338 HydrophobicContact CH2-CB 4.08Å; W225-L338 HydrophobicContact CH2-CD2 4.07Å; W225-L338 HydrophobicContact CH2-CG 3.81Å; W225-L338 HydrophobicContact CZ2-CB 4.35Å; W225-L338 HydrophobicContact CZ2-CD2 4.03Å; W225-L338 HydrophobicContact CZ2-CG 4.22Å; W225-D339 HydrophobicContact CH2-CB 3.93Å; W225-D339 HydrophobicContact CZ3-CB 4.14Å; W225-L360 HydrophobicContact CZ2-CD2 4.48Å; W225-A363 HydrophobicContact CB-CB 3.61Å; W225-A363 HydrophobicContact CD2-CB 4.12Å; W225-A363 HydrophobicContact CG-CB 3.64Å; W225-L364 HydrophobicContact CE3-CD2 4.02Å; W225-L364 HydrophobicContact CH2-CD2 3.89Å; W225-L364 HydrophobicContact CZ3-CD2 3.43Å; W225-L364 VanDerWaalsContact CZ3-CD2 3.43Å; W225-L364 HydrophobicContact CZ3-CG 4.5Å
226	F	93.8	Very high	95.2	Very high	48 Å²	48	37.1 Å²	37.1	21%	0.211	20%	0.202	C	C	.	.	S	Bend	trans	-102.3	27.7	-177.9	-71.6	-107.8	0	0	0	111.6	K222 E223 W241	K222-F226 VanDerWaalsContact O-CD2 3.31Å; K222-F226 WeakPolarHBondContact O-CD2 3.37Å; E223-F226 PolarHBondContact O-N 2.92Å; F226-W241 HydrophobicContact CB-CH2 4.41Å; F226-W241 HydrophobicContact CB-CZ3 3.88Å; F226-W241 HydrophobicContact CD1-CH2 4.2Å; F226-W241 AromaticContact CD1-CZ3 3.83Å; F226-W241 HydrophobicContact CD1-CZ3 3.83Å; F226-W241 AromaticContact CD2-CH2 3.67Å; F226-W241 HydrophobicContact CD2-CH2 3.67Å; F226-W241 AromaticContact CD2-CZ3 3.96Å; F226-W241 HydrophobicContact CD2-CZ3 3.96Å; F226-W241 HydrophobicContact CE1-CH2 4.4Å; F226-W241 HydrophobicContact CE1-CZ3 4.35Å; F226-W241 AromaticContact CE2-CH2 3.89Å; F226-W241 HydrophobicContact CE2-CH2 3.89Å; F226-W241 HydrophobicContact CE2-CZ3 4.47Å; F226-W241 AromaticContact CG-CH2 3.84Å; F226-W241 HydrophobicContact CG-CH2 3.84Å; F226-W241 AromaticContact CG-CZ3 3.62Å; F226-W241 HydrophobicContact CG-CZ3 3.62Å; F226-W241 HydrophobicContact CZ-CH2 4.26Å
227	S	90.6	Very high	95.2	Very high	28 Å²	28	42.3 Å²	42.3	20%	0.196	22%	0.222	C	C	.	.			trans	-111.9	131.6	177.6	-174.6	0	0	0	0	110.8	D229	S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.47Å; S227-D229 PolarHBondContact OG-N 3.01Å; S227-D229 VanDerWaalsContact OG-N 3.17Å
228	D	87.5	Confident	95.2	Very high	138 Å²	138	40.3 Å²	40.3	74%	0.738	21%	0.214	S	C	*	.			trans	-85.8	-8	169.5	-54.9	-44.1	0	0	0	112.1	P230	D228-P230 WeakPolarHBondContact O-CD 3.45Å
229	D	91.3	Very high	95.1	Very high	82 Å²	82	46.2 Å²	46.2	44%	0.439	24%	0.238	S	C	.	.			trans	-77.7	114.1	177.9	-176.5	-10.5	0	0	0	110.2	S227 S231 V232	S227-D229 VanDerWaalsContact C-N 3.31Å; S227-D229 WeakPolarHBondContact OG-CB 3.47Å; S227-D229 PolarHBondContact OG-N 3.01Å; S227-D229 VanDerWaalsContact OG-N 3.17Å; D229-S231 PolarHBondContact O-N 3.34Å; D229-S231 VanDerWaalsContact OD1-CB 3.28Å; D229-S231 WeakPolarHBondContact OD1-CB 3.46Å; D229-S231 PolarHBondContact OD1-N 2.83Å; D229-S231 PolarHBondContact OD1-OG 3.35Å; D229-S231 PolarHBondContact OD2-OG 2.83Å; D229-S231 VanDerWaalsContact OD2-OG 3.06Å; D229-V232 VanDerWaalsContact O-CB 3.31Å; D229-V232 WeakPolarHBondContact O-CB 3.46Å; D229-V232 WeakPolarHBondContact O-CG1 3.34Å; D229-V232 PolarHBondContact O-N 3.32Å
230	P	88	Confident	95.1	Very high	98 Å²	98	47 Å²	47	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.3	-180	27.7	-34.8	0	0	0	113	D228 V232 T233	D228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-V232 PolarHBondContact O-N 2.85Å; P230-T233 PolarHBondContact O-OG1 3.45Å
231	S	93.5	Very high	95	Very high	37 Å²	37	48 Å²	48	26%	0.259	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10	179.4	78.4	0	0	0	0	113.2	D229 T233 E234 T235	D229-S231 PolarHBondContact O-N 3.34Å; D229-S231 VanDerWaalsContact OD1-CB 3.28Å; D229-S231 WeakPolarHBondContact OD1-CB 3.46Å; D229-S231 PolarHBondContact OD1-N 2.83Å; D229-S231 PolarHBondContact OD1-OG 3.35Å; D229-S231 PolarHBondContact OD2-OG 2.83Å; D229-S231 VanDerWaalsContact OD2-OG 3.06Å; S231-T233 PolarHBondContact O-N 3.31Å; S231-T233 VanDerWaalsContact O-N 3.07Å; S231-E234 PolarHBondContact O-N 3.05Å; S231-T235 PolarHBondContact O-N 3.39Å; S231-T235 PolarHBondContact O-OG1 2.96Å
232	V	94.9	Very high	94.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-54.4	-30.9	178.9	72.8	0	0	0	0	112.9	L224 D229 P230 E234 L236	L224-V232 HydrophobicContact CD2-CG2 3.54Å; D229-V232 VanDerWaalsContact O-CB 3.31Å; D229-V232 WeakPolarHBondContact O-CB 3.46Å; D229-V232 WeakPolarHBondContact O-CG1 3.34Å; D229-V232 PolarHBondContact O-N 3.32Å; P230-V232 PolarHBondContact O-N 2.85Å; V232-E234 VanDerWaalsContact C-N 3.32Å; V232-L236 VanDerWaalsContact O-CA 3.28Å; V232-L236 WeakPolarHBondContact O-CA 3.36Å; V232-L236 PolarHBondContact O-N 3.19Å
233	T	93.6	Very high	94.7	Very high	29 Å²	29	51 Å²	51	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-26.3	178.9	57.3	0	0	0	0	113.5	P230 S231 F335 K336 D339	P230-T233 PolarHBondContact O-OG1 3.45Å; S231-T233 PolarHBondContact O-N 3.31Å; S231-T233 VanDerWaalsContact O-N 3.07Å; T233-F335 HydrophobicContact CG2-CE1 4.31Å; T233-F335 HydrophobicContact CG2-CZ 4.44Å; T233-K336 WeakPolarHBondContact O-CE 3.25Å; T233-D339 WeakPolarHBondContact CG2-OD2 3.18Å
234	E	94.7	Very high	94.6	Very high	159 Å²	159	57.2 Å²	57.2	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-92.8	-47.2	179.5	-61.9	179	175.4	0	0	110.5	S231 V232	S231-E234 PolarHBondContact O-N 3.05Å; V232-E234 VanDerWaalsContact C-N 3.32Å
235	T	96.4	Very high	94.6	Very high	60 Å²	60	62.1 Å²	62.1	37%	0.368	32%	0.322	S	S	.	.	H	α-helix	trans	-76.9	-31.5	-176.2	63.6	0	0	0	0	112.7	S231 R237	S231-T235 PolarHBondContact O-N 3.39Å; S231-T235 PolarHBondContact O-OG1 2.96Å; T235-R237 PolarHBondContact O-N 3.45Å; T235-R237 VanDerWaalsContact O-N 3.16Å; T235-R237 PolarHBondContact OG1-N 3.29Å
236	L	97.8	Very high	94.6	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	33%	0.331	C	S	.	.			trans	51.8	31.5	-171.7	-54.7	171.8	0	0	0	113	V232 I248 Y249 I332 F335	V232-L236 VanDerWaalsContact O-CA 3.28Å; V232-L236 WeakPolarHBondContact O-CA 3.36Å; V232-L236 PolarHBondContact O-N 3.19Å; L236-I248 HydrophobicContact CB-CB 4.42Å; L236-I248 HydrophobicContact CB-CG2 3.59Å; L236-I248 HydrophobicContact CD1-CG2 4.21Å; L236-I248 PolarHBondContact O-N 3.45Å; L236-I248 VanDerWaalsContact O-N 3.13Å; L236-Y249 HydrophobicContact CD1-CE2 4.23Å; L236-I332 HydrophobicContact CD1-CB 4.5Å; L236-I332 HydrophobicContact CD1-CD1 3.76Å; L236-I332 HydrophobicContact CD1-CG1 4.08Å; L236-I332 HydrophobicContact CD1-CG2 3.59Å; L236-I332 HydrophobicContact CD2-CG2 4.19Å; L236-F335 HydrophobicContact CD2-CD1 4.08Å; L236-F335 HydrophobicContact CD2-CE1 4.01Å
237	R	97.7	Very high	94.8	Very high	112 Å²	112	64.1 Å²	64.1	42%	0.423	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.2	171.3	-59.7	176.3	66.3	99.2	1.3	108	T235 E245 R246	T235-R237 PolarHBondContact O-N 3.45Å; T235-R237 VanDerWaalsContact O-N 3.16Å; T235-R237 PolarHBondContact OG1-N 3.29Å; R237-E245 HydrophobicContact CB-CG 4.14Å; R237-E245 WeakPolarHBondContact CB-OE1 3.48Å; R237-E245 WeakPolarHBondContact CD-OE1 3.43Å; R237-E245 IonicContact CZ-OE1 3.51Å; R237-E245 IonicContact CZ-OE2 2.74Å; R237-E245 IonicContact NE-OE1 2.83Å; R237-E245 PolarHBondContact NE-OE1 2.84Å; R237-E245 IonicContact NE-OE2 3.24Å; R237-E245 PolarHBondContact NE-OE2 2.95Å; R237-E245 IonicContact NH2-OE1 3.89Å; R237-E245 IonicContact NH2-OE2 2.81Å; R237-E245 PolarHBondContact NH2-OE2 3.37Å; R237-R246 WeakPolarHBondContact CA-O 3.36Å
238	F	96.9	Very high	95.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.6	-175.2	61.6	-85.3	0	0	0	110.6	M216 P219 E223 L224 Q240 E245 R246 I248	M216-F238 HydrophobicContact SD-CZ 4.49Å; P219-F238 HydrophobicContact CB-CD1 3.92Å; P219-F238 HydrophobicContact CB-CD2 4.44Å; P219-F238 HydrophobicContact CB-CE1 3.71Å; P219-F238 HydrophobicContact CB-CE2 4.22Å; P219-F238 HydrophobicContact CB-CG 4.29Å; P219-F238 HydrophobicContact CB-CZ 3.86Å; P219-F238 HydrophobicContact CG-CD1 4.24Å; P219-F238 HydrophobicContact CG-CE1 3.51Å; P219-F238 HydrophobicContact CG-CE2 4.03Å; P219-F238 HydrophobicContact CG-CZ 3.37Å; E223-F238 HydrophobicContact CB-CB 4.11Å; E223-F238 HydrophobicContact CB-CD2 3.42Å; E223-F238 VanDerWaalsContact CB-CD2 3.42Å; E223-F238 HydrophobicContact CB-CE2 4.14Å; E223-F238 HydrophobicContact CB-CG 4.06Å; E223-F238 HydrophobicContact CG-CD2 3.92Å; E223-F238 HydrophobicContact CG-CE2 4.23Å; L224-F238 HydrophobicContact CD2-CB 3.85Å; L224-F238 HydrophobicContact CD2-CD1 4.49Å; L224-F238 HydrophobicContact CG-CB 4.13Å; F238-Q240 HydrophobicContact CD2-CG 4.34Å; F238-Q240 HydrophobicContact CE2-CG 3.9Å; F238-E245 CarbonylContact O-C 3.52Å; F238-E245 WeakPolarHBondContact O-CA 3.48Å; F238-R246 WeakPolarHBondContact CD1-O 3.39Å; F238-R246 HydrophobicContact CE1-CB 4.25Å; F238-R246 HydrophobicContact CE1-CG 4.46Å; F238-R246 HydrophobicContact CE2-CB 4.19Å; F238-R246 HydrophobicContact CZ-CB 3.92Å; F238-R246 HydrophobicContact CZ-CG 4.11Å; F238-R246 PolarHBondContact N-O 2.8Å; F238-R246 PolarHBondContact O-N 3.34Å; F238-I248 HydrophobicContact CE1-CB 4.49Å
239	K	97.2	Very high	95.7	Very high	144 Å²	144	59 Å²	59	63%	0.626	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.6	167.8	-68.6	179.7	-177.6	172.3	0	108.6
240	Q	97.1	Very high	96	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.075	29%	0.288	C	S	.	.			trans	-65.7	169.3	169.5	-64.3	179.6	87.8	0	0	110.1	F238 N242 G243 K244 R246 T566 T571	F238-Q240 HydrophobicContact CD2-CG 4.34Å; F238-Q240 HydrophobicContact CE2-CG 3.9Å; Q240-N242 WeakPolarHBondContact CB-OD1 3.38Å; Q240-N242 PolarHBondContact O-N 2.99Å; Q240-G243 WeakPolarHBondContact O-CA 3.32Å; Q240-G243 PolarHBondContact O-N 2.96Å; Q240-K244 WeakPolarHBondContact CB-O 3.41Å; Q240-K244 PolarHBondContact N-O 3.31Å; Q240-R246 HydrophobicContact CG-CB 4.27Å; Q240-T566 HydrophobicContact CB-CG2 4.15Å; Q240-T571 VanDerWaalsContact OE1-CA 3.26Å
241	W	96.3	Very high	96.5	Very high	25 Å²	25	54.8 Å²	54.8	10%	0.095	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-179.7	-53.2	132	0	0	0	114.4	K222 E223 F226 G243 D530 P533 K563 T566	K222-W241 HydrophobicContact CB-CZ2 4.34Å; E223-W241 HydrophobicContact CG-CD2 4.2Å; E223-W241 HydrophobicContact CG-CE3 4.3Å; E223-W241 HydrophobicContact CG-CH2 3.96Å; E223-W241 HydrophobicContact CG-CZ2 3.85Å; E223-W241 HydrophobicContact CG-CZ3 4.19Å; F226-W241 HydrophobicContact CB-CH2 4.41Å; F226-W241 HydrophobicContact CB-CZ3 3.88Å; F226-W241 HydrophobicContact CD1-CH2 4.2Å; F226-W241 AromaticContact CD1-CZ3 3.83Å; F226-W241 HydrophobicContact CD1-CZ3 3.83Å; F226-W241 AromaticContact CD2-CH2 3.67Å; F226-W241 HydrophobicContact CD2-CH2 3.67Å; F226-W241 AromaticContact CD2-CZ3 3.96Å; F226-W241 HydrophobicContact CD2-CZ3 3.96Å; F226-W241 HydrophobicContact CE1-CH2 4.4Å; F226-W241 HydrophobicContact CE1-CZ3 4.35Å; F226-W241 AromaticContact CE2-CH2 3.89Å; F226-W241 HydrophobicContact CE2-CH2 3.89Å; F226-W241 HydrophobicContact CE2-CZ3 4.47Å; F226-W241 AromaticContact CG-CH2 3.84Å; F226-W241 HydrophobicContact CG-CH2 3.84Å; F226-W241 AromaticContact CG-CZ3 3.62Å; F226-W241 HydrophobicContact CG-CZ3 3.62Å; F226-W241 HydrophobicContact CZ-CH2 4.26Å; W241-G243 VanDerWaalsContact C-N 3.32Å; W241-D530 HydrophobicContact CZ2-CB 4.46Å; W241-D530 PolarHBondContact NE1-OD2 3.24Å; W241-P533 HydrophobicContact CD2-CB 4.19Å; W241-P533 HydrophobicContact CE3-CB 4Å; W241-K563 HydrophobicContact CB-CB 4.09Å; W241-K563 HydrophobicContact CB-CG 4.23Å; W241-T566 HydrophobicContact CB-CG2 4.17Å
242	N	94.8	Very high	96.7	Very high	35 Å²	35	56.1 Å²	56.1	19%	0.187	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.5	173.7	67.2	10.7	0	0	0	114.1	Q240 K244 T566 E567	Q240-N242 WeakPolarHBondContact CB-OD1 3.38Å; Q240-N242 PolarHBondContact O-N 2.99Å; N242-K244 VanDerWaalsContact C-N 3.34Å; N242-K244 PolarHBondContact O-N 3.31Å; N242-K244 WeakPolarHBondContact OD1-CB 3.11Å; N242-K244 PolarHBondContact OD1-N 2.85Å; N242-T566 HydrophobicContact CB-CG2 4Å; N242-T566 PolarHBondContact ND2-O 3.31Å; N242-E567 HydrophobicContact CB-CB 4.41Å; N242-E567 HydrophobicContact CB-CG 3.69Å
243	G	95.1	Very high	96.8	Very high	46 Å²	46	60.3 Å²	60.3	47%	0.474	30%	0.304	S	S	.	.	S	Bend	trans	84.3	-9.1	-179.9	0	0	0	0	0	115.9	Q240 W241	Q240-G243 WeakPolarHBondContact O-CA 3.32Å; Q240-G243 PolarHBondContact O-N 2.96Å; W241-G243 VanDerWaalsContact C-N 3.32Å
244	K	95.9	Very high	96.9	Very high	133 Å²	133	63.9 Å²	63.9	58%	0.578	33%	0.329	S	S	*	.			trans	-73.1	134.8	178.1	-67.4	-177.4	178.9	176.3	0	111.1	Q240 N242	Q240-K244 WeakPolarHBondContact CB-O 3.41Å; Q240-K244 PolarHBondContact N-O 3.31Å; N242-K244 VanDerWaalsContact C-N 3.34Å; N242-K244 PolarHBondContact O-N 3.31Å; N242-K244 WeakPolarHBondContact OD1-CB 3.11Å; N242-K244 PolarHBondContact OD1-N 2.85Å
245	E	96.7	Very high	97.1	Very high	104 Å²	104	62.9 Å²	62.9	49%	0.486	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.6	178.9	-154.6	-166.6	-171.7	0	0	111.7	R237 F238	R237-E245 HydrophobicContact CB-CG 4.14Å; R237-E245 WeakPolarHBondContact CB-OE1 3.48Å; R237-E245 WeakPolarHBondContact CD-OE1 3.43Å; R237-E245 IonicContact CZ-OE1 3.51Å; R237-E245 IonicContact CZ-OE2 2.74Å; R237-E245 IonicContact NE-OE1 2.83Å; R237-E245 PolarHBondContact NE-OE1 2.84Å; R237-E245 IonicContact NE-OE2 3.24Å; R237-E245 PolarHBondContact NE-OE2 2.95Å; R237-E245 IonicContact NH2-OE1 3.89Å; R237-E245 IonicContact NH2-OE2 2.81Å; R237-E245 PolarHBondContact NH2-OE2 3.37Å; F238-E245 CarbonylContact O-C 3.52Å; F238-E245 WeakPolarHBondContact O-CA 3.48Å
246	R	97.1	Very high	97.2	Very high	59 Å²	59	61.4 Å²	61.4	22%	0.223	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.1	174.7	-171.2	171.8	179.5	167.9	-1	109.5	R237 F238 Q240 T571 E576	R237-R246 WeakPolarHBondContact CA-O 3.36Å; F238-R246 WeakPolarHBondContact CD1-O 3.39Å; F238-R246 HydrophobicContact CE1-CB 4.25Å; F238-R246 HydrophobicContact CE1-CG 4.46Å; F238-R246 HydrophobicContact CE2-CB 4.19Å; F238-R246 HydrophobicContact CZ-CB 3.92Å; F238-R246 HydrophobicContact CZ-CG 4.11Å; F238-R246 PolarHBondContact N-O 2.8Å; F238-R246 PolarHBondContact O-N 3.34Å; Q240-R246 HydrophobicContact CG-CB 4.27Å; R246-T571 PolarHBondContact NH1-OG1 3.13Å; R246-E576 IonicContact CZ-OE1 3.86Å; R246-E576 IonicContact CZ-OE2 3.59Å; R246-E576 IonicContact NH1-OE1 3.09Å; R246-E576 IonicContact NH1-OE2 3.73Å; R246-E576 PolarHBondContact NH1-OE2 2.91Å; R246-E576 VanDerWaalsContact NH1-OE2 3.09Å; R246-E576 IonicContact NH2-OE1 3.62Å; R246-E576 PolarHBondContact NH2-OE1 2.98Å; R246-E576 IonicContact NH2-OE2 3.3Å
247	S	97.8	Very high	97.2	Very high	36 Å²	36	63.2 Å²	63.2	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	144.3	170.5	-177.3	0	0	0	0	110.4	Y249	S247-Y249 PolarHBondContact O-N 3.12Å; S247-Y249 PolarHBondContact OG-N 3.47Å; S247-Y249 VanDerWaalsContact OG-N 3.16Å
248	I	98.3	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-66.5	-29.1	168.4	-159	179.4	0	0	0	112	Y215 M216 L220 L224 L236 F238 I332	Y215-I248 WeakPolarHBondContact CA-O 3.4Å; Y215-I248 WeakPolarHBondContact CB-O 3.26Å; Y215-I248 HydrophobicContact CD2-CD1 3.79Å; Y215-I248 HydrophobicContact CD2-CG1 4.13Å; Y215-I248 HydrophobicContact CE2-CD1 4.43Å; M216-I248 HydrophobicContact CG-CG1 4.13Å; M216-I248 WeakPolarHBondContact CG-O 3.41Å; M216-I248 PolarHBondContact N-O 3.48Å; M216-I248 WeakPolarHBondContact O-CD1 3.35Å; M216-I248 WeakPolarHBondContact O-CG1 3.37Å; L220-I248 HydrophobicContact CD2-CD1 3.49Å; L220-I248 VanDerWaalsContact CD2-CD1 3.49Å; L220-I248 HydrophobicContact CG-CD1 3.94Å; L224-I248 HydrophobicContact CD1-CD1 4.07Å; L236-I248 HydrophobicContact CB-CB 4.42Å; L236-I248 HydrophobicContact CB-CG2 3.59Å; L236-I248 HydrophobicContact CD1-CG2 4.21Å; L236-I248 PolarHBondContact O-N 3.45Å; L236-I248 VanDerWaalsContact O-N 3.13Å; F238-I248 HydrophobicContact CE1-CB 4.49Å; I248-I332 HydrophobicContact CD1-CG1 4.3Å
249	Y	98.6	Very high	97	Very high	58 Å²	58	63.5 Å²	63.5	23%	0.227	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-72.7	142.6	179.3	-61.9	-76.1	0	0	0	111	D212 L213 L236 S247 Q251 I332	D212-Y249 HydrophobicContact CB-CE1 4.25Å; D212-Y249 PolarHBondContact OD1-OH 3.02Å; L213-Y249 HydrophobicContact CB-CD1 4.18Å; L213-Y249 HydrophobicContact CB-CE1 4.34Å; L236-Y249 HydrophobicContact CD1-CE2 4.23Å; S247-Y249 PolarHBondContact O-N 3.12Å; S247-Y249 PolarHBondContact OG-N 3.47Å; S247-Y249 VanDerWaalsContact OG-N 3.16Å; Y249-Q251 VanDerWaalsContact C-N 3.33Å; Y249-Q251 PolarHBondContact O-N 3.4Å; Y249-I332 HydrophobicContact CE1-CD1 4.49Å
250	F	98.2	Very high	96.9	Very high	46 Å²	46	61 Å²	61	20%	0.202	32%	0.324	C	S	.	.	S	Bend	trans	-70.3	-28.4	-176.3	-70.8	-63.7	0	0	0	114.1	T186 F189 P214 Y215 M216	T186-F250 HydrophobicContact CG2-CZ 3.95Å; F189-F250 HydrophobicContact CB-CD2 3.69Å; F189-F250 HydrophobicContact CB-CE2 4.03Å; F189-F250 HydrophobicContact CB-CG 4.33Å; F189-F250 HydrophobicContact CD1-CB 3.59Å; F189-F250 AromaticContact CD1-CD1 3.95Å; F189-F250 HydrophobicContact CD1-CD1 3.95Å; F189-F250 AromaticContact CD1-CD2 3.79Å; F189-F250 HydrophobicContact CD1-CD2 3.79Å; F189-F250 HydrophobicContact CD1-CE2 4.46Å; F189-F250 AromaticContact CD1-CG 3.52Å; F189-F250 HydrophobicContact CD1-CG 3.52Å; F189-F250 HydrophobicContact CD2-CB 3.67Å; F189-F250 HydrophobicContact CD2-CD2 4.04Å; F189-F250 HydrophobicContact CD2-CG 4.13Å; F189-F250 HydrophobicContact CE1-CB 3.43Å; F189-F250 VanDerWaalsContact CE1-CB 3.43Å; F189-F250 HydrophobicContact CE1-CD1 4.19Å; F189-F250 AromaticContact CE1-CG 3.84Å; F189-F250 HydrophobicContact CE1-CG 3.84Å; F189-F250 HydrophobicContact CE2-CB 3.51Å; F189-F250 HydrophobicContact CE2-CG 4.4Å; F189-F250 HydrophobicContact CG-CB 3.72Å; F189-F250 AromaticContact CG-CD2 3.53Å; F189-F250 HydrophobicContact CG-CD2 3.53Å; F189-F250 HydrophobicContact CG-CE2 4.28Å; F189-F250 AromaticContact CG-CG 3.69Å; F189-F250 HydrophobicContact CG-CG 3.69Å; F189-F250 HydrophobicContact CZ-CB 3.39Å; F189-F250 HydrophobicContact CZ-CG 4.27Å; P214-F250 VanDerWaalsContact C-CD2 3.49Å; P214-F250 HydrophobicContact CB-CD2 3.88Å; P214-F250 HydrophobicContact CB-CE2 4.46Å; P214-F250 WeakPolarHBondContact O-CD2 3.4Å; P214-F250 PolarHBondContact O-N 3.09Å; P214-F250 VanDerWaalsContact O-N 3.12Å; Y215-F250 WeakPolarHBondContact O-CE2 3.46Å; M216-F250 HydrophobicContact CB-CE1 3.7Å; M216-F250 HydrophobicContact CB-CZ 3.8Å; M216-F250 HydrophobicContact CE-CD1 4.15Å; M216-F250 HydrophobicContact CE-CE1 4.26Å
251	Q	97.6	Very high	96.8	Very high	46 Å²	46	66 Å²	66	22%	0.215	35%	0.348	C	S	.	.	S	Bend	trans	-152.9	163.1	175.7	69.5	-179.4	30.2	0	0	110.7	F189 Y249 F255 Y256	F189-Q251 HydrophobicContact CE2-CB 4.35Å; F189-Q251 HydrophobicContact CE2-CG 3.9Å; F189-Q251 HydrophobicContact CZ-CB 4.39Å; F189-Q251 HydrophobicContact CZ-CG 4.41Å; Y249-Q251 VanDerWaalsContact C-N 3.33Å; Y249-Q251 PolarHBondContact O-N 3.4Å; Q251-F255 HydrophobicContact CG-CB 4.15Å; Q251-F255 VanDerWaalsContact NE2-CB 3.32Å; Q251-Y256 HydrophobicContact CG-CD2 4.42Å; Q251-Y256 HydrophobicContact CG-CE1 4.4Å; Q251-Y256 HydrophobicContact CG-CE2 3.56Å; Q251-Y256 WeakPolarHBondContact CG-OH 3.49Å
252	P	97.9	Very high	96.8	Very high	65 Å²	65	65 Å²	65	42%	0.422	34%	0.344	S	S	.	.			trans	-59.9	147.8	175	-23.2	34.9	0	0	0	112.6	S254 F255	P252-S254 PolarHBondContact O-N 3.15Å; P252-F255 HydrophobicContact CB-CD1 4.13Å; P252-F255 HydrophobicContact CB-CE1 4.45Å; P252-F255 HydrophobicContact CG-CD1 4.25Å; P252-F255 HydrophobicContact CG-CE1 4.2Å; P252-F255 WeakPolarHBondContact O-CB 3.38Å; P252-F255 PolarHBondContact O-N 3.34Å; P252-F255 VanDerWaalsContact O-N 3.12Å
253	P	97.1	Very high	96.7	Very high	90 Å²	90	66.5 Å²	66.5	58%	0.584	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-55.5	-36.4	177.6	-27.4	35.3	0	0	0	113.9	L213 F255 Y256	L213-P253 HydrophobicContact CD1-CB 3.78Å; L213-P253 HydrophobicContact CD1-CG 3.94Å; P253-F255 PolarHBondContact O-N 3.01Å; P253-Y256 WeakPolarHBondContact O-CD2 3.36Å; P253-Y256 PolarHBondContact O-N 3.33Å; P253-Y256 VanDerWaalsContact O-N 3.08Å
254	S	97.1	Very high	96.5	Very high	103 Å²	103	67.4 Å²	67.4	72%	0.72	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.3	-6.6	-179.8	56.3	0	0	0	0	115.1	P252	P252-S254 PolarHBondContact O-N 3.15Å
255	F	97.6	Very high	96.4	Very high	139 Å²	139	62 Å²	62	61%	0.61	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-89.3	-7.1	176.4	-78.7	37.3	0	0	0	112.2	Q251 P252 P253	Q251-F255 HydrophobicContact CG-CB 4.15Å; Q251-F255 VanDerWaalsContact NE2-CB 3.32Å; P252-F255 HydrophobicContact CB-CD1 4.13Å; P252-F255 HydrophobicContact CB-CE1 4.45Å; P252-F255 HydrophobicContact CG-CD1 4.25Å; P252-F255 HydrophobicContact CG-CE1 4.2Å; P252-F255 WeakPolarHBondContact O-CB 3.38Å; P252-F255 PolarHBondContact O-N 3.34Å; P252-F255 VanDerWaalsContact O-N 3.12Å; P253-F255 PolarHBondContact O-N 3.01Å
256	Y	98.3	Very high	96.1	Very high	29 Å²	29	65.6 Å²	65.6	11%	0.114	36%	0.364	C	S	.	.	S	Bend	trans	-94.9	147	172.3	-59.9	-77.4	0	0	0	110.1	L213 Q251 P253 V270 V272	L213-Y256 HydrophobicContact CD1-CD2 4.02Å; L213-Y256 HydrophobicContact CD1-CE2 4.03Å; L213-Y256 HydrophobicContact CD2-CD2 4.22Å; L213-Y256 HydrophobicContact CD2-CE2 4.3Å; Q251-Y256 HydrophobicContact CG-CD2 4.42Å; Q251-Y256 HydrophobicContact CG-CE1 4.4Å; Q251-Y256 HydrophobicContact CG-CE2 3.56Å; Q251-Y256 WeakPolarHBondContact CG-OH 3.49Å; P253-Y256 WeakPolarHBondContact O-CD2 3.36Å; P253-Y256 PolarHBondContact O-N 3.33Å; P253-Y256 VanDerWaalsContact O-N 3.08Å; Y256-V270 CarbonylContact C-O 3.51Å; Y256-V270 VanDerWaalsContact CA-O 3.27Å; Y256-V270 WeakPolarHBondContact CA-O 3.39Å; Y256-V270 HydrophobicContact CD1-CB 4.19Å; Y256-V270 HydrophobicContact CD1-CG1 4.01Å; Y256-V270 HydrophobicContact CE1-CG1 4.11Å; Y256-V272 HydrophobicContact CD1-CG2 3.57Å; Y256-V272 HydrophobicContact CE1-CG2 3.59Å; Y256-V272 HydrophobicContact CG-CG2 4.15Å
257	V	97.4	Very high	96	Very high	39 Å²	39	67.7 Å²	67.7	24%	0.236	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-89.7	146.8	170.4	-177.5	0	0	0	0	108.1	E261 A265 V270 A271	V257-E261 HydrophobicContact CG1-CB 4.02Å; V257-A265 HydrophobicContact CG1-CB 4.46Å; V257-V270 PolarHBondContact N-O 2.78Å; V257-A271 VanDerWaalsContact O-CA 3.29Å; V257-A271 WeakPolarHBondContact O-CA 3.45Å; V257-A271 WeakPolarHBondContact O-CB 3.44Å
258	D	96.4	Very high	95.9	Very high	107 Å²	107	66.4 Å²	66.4	57%	0.572	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.9	172.3	-72.9	-41.3	0	0	0	110.7	E260 E261 L262	D258-E260 PolarHBondContact O-N 3.29Å; D258-E261 HydrophobicContact CB-CB 4.45Å; D258-E261 HydrophobicContact CB-CG 4.17Å; D258-E261 PolarHBondContact O-N 2.81Å; D258-L262 PolarHBondContact O-N 2.92Å; D258-L262 VanDerWaalsContact O-N 3.1Å
259	A	95.5	Very high	95.9	Very high	13 Å²	13	66.7 Å²	66.7	11%	0.107	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35	-173.6	0	0	0	0	0	112.5	L173 P174 L205 E261 L262 A271	L173-A259 HydrophobicContact CD2-CB 3.93Å; P174-A259 VanDerWaalsContact CD-O 3.27Å; P174-A259 WeakPolarHBondContact CD-O 3.39Å; L205-A259 HydrophobicContact CD1-CB 4.33Å; A259-E261 VanDerWaalsContact C-N 3.32Å; A259-L262 WeakPolarHBondContact O-CB 3.35Å; A259-L262 PolarHBondContact O-N 3.33Å; A259-A271 HydrophobicContact CB-CB 4.11Å
260	E	94.4	Very high	95.9	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.1	178.1	-67	162	179.3	0	0	112.3	P171 L173 D258	P171-E260 HydrophobicContact CB-CB 3.96Å; P171-E260 VanDerWaalsContact CB-CD 3.45Å; P171-E260 HydrophobicContact CB-CG 3.92Å; P171-E260 WeakPolarHBondContact CB-OE2 3.31Å; P171-E260 VanDerWaalsContact CG-CD 3.47Å; P171-E260 HydrophobicContact CG-CG 4.46Å; P171-E260 WeakPolarHBondContact CG-OE2 3.14Å; L173-E260 HydrophobicContact CD2-CG 4.24Å; D258-E260 PolarHBondContact O-N 3.29Å
261	E	95	Very high	95.9	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-16.8	-178.8	-59.7	-171.9	167.1	0	0	113	V257 D258 A259 S263 G264 A265	V257-E261 HydrophobicContact CG1-CB 4.02Å; D258-E261 HydrophobicContact CB-CB 4.45Å; D258-E261 HydrophobicContact CB-CG 4.17Å; D258-E261 PolarHBondContact O-N 2.81Å; A259-E261 VanDerWaalsContact C-N 3.32Å; E261-S263 PolarHBondContact O-N 3.36Å; E261-S263 VanDerWaalsContact O-N 3.1Å; E261-G264 CarbonylContact O-C 3.51Å; E261-G264 PolarHBondContact O-N 2.67Å; E261-A265 PolarHBondContact O-N 3.34Å
262	L	95.9	Very high	96	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.7	-174.6	-177.2	66.2	0	0	0	113.2	K203 L205 D258 A259 G264 G269 A271	K203-L262 HydrophobicContact CB-CD1 4.1Å; K203-L262 HydrophobicContact CB-CG 4.13Å; K203-L262 VanDerWaalsContact CD-O 3.25Å; K203-L262 WeakPolarHBondContact CD-O 3.35Å; K203-L262 WeakPolarHBondContact CE-O 3.42Å; K203-L262 HydrophobicContact CG-CD1 4.3Å; K203-L262 HydrophobicContact CG-CG 4.48Å; L205-L262 HydrophobicContact CB-CD2 3.96Å; L205-L262 HydrophobicContact CD1-CD2 4.37Å; D258-L262 PolarHBondContact O-N 2.92Å; D258-L262 VanDerWaalsContact O-N 3.1Å; A259-L262 WeakPolarHBondContact O-CB 3.35Å; A259-L262 PolarHBondContact O-N 3.33Å; L262-G264 VanDerWaalsContact C-N 3.31Å; L262-G264 PolarHBondContact O-N 3.44Å; L262-G269 WeakPolarHBondContact CD1-O 3.47Å; L262-A271 HydrophobicContact CB-CB 4.16Å; L262-A271 HydrophobicContact CD1-CB 4.3Å; L262-A271 HydrophobicContact CD2-CB 3.93Å; L262-A271 HydrophobicContact CG-CB 4.34Å
263	S	93	Very high	96	Very high	66 Å²	66	58.9 Å²	58.9	46%	0.462	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.5	-179.7	-62.3	0	0	0	0	112.4	K203 E261	K203-S263 PolarHBondContact NZ-O 3.23Å; E261-S263 PolarHBondContact O-N 3.36Å; E261-S263 VanDerWaalsContact O-N 3.1Å
264	G	91.2	Very high	96	Very high	66 Å²	66	57.1 Å²	57.1	68%	0.68	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-11.6	-178.7	0	0	0	0	0	114.7	E261 L262 E266	E261-G264 CarbonylContact O-C 3.51Å; E261-G264 PolarHBondContact O-N 2.67Å; L262-G264 VanDerWaalsContact C-N 3.31Å; L262-G264 PolarHBondContact O-N 3.44Å; G264-E266 PolarHBondContact O-N 2.88Å
265	A	93.3	Very high	96	Very high	19 Å²	19	54.1 Å²	54.1	16%	0.157	31%	0.311	C	S	.	.			trans	-58.2	120.8	-177.8	0	0	0	0	0	112.3	K203 V257 E261 N267 G268	K203-A265 VanDerWaalsContact CE-O 3.23Å; K203-A265 WeakPolarHBondContact CE-O 3.34Å; V257-A265 HydrophobicContact CG1-CB 4.46Å; E261-A265 PolarHBondContact O-N 3.34Å; A265-N267 PolarHBondContact O-N 2.83Å; A265-G268 PolarHBondContact O-N 2.93Å
266	E	91.6	Very high	96	Very high	179 Å²	179	51.4 Å²	51.4	84%	0.836	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-47.5	-174.2	-174.2	178.8	-173	0	0	112.1	G264 G268	G264-E266 PolarHBondContact O-N 2.88Å; E266-G268 VanDerWaalsContact C-N 3.35Å
267	N	93.9	Very high	96	Very high	103 Å²	103	53.4 Å²	53.4	55%	0.551	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	21.3	-179.5	-57.9	-56.6	0	0	0	112.4	R196 P200 A265	R196-N267 VanDerWaalsContact CZ-O 3.28Å; R196-N267 PolarHBondContact NH1-O 3.03Å; R196-N267 PolarHBondContact NH2-O 3.15Å; P200-N267 VanDerWaalsContact O-O 3.05Å; A265-N267 PolarHBondContact O-N 2.83Å
268	G	95.6	Very high	96.1	Very high	9 Å²	9	52 Å²	52	9%	0.093	30%	0.298	C	S	.	.			trans	59.8	-154.6	-170.4	0	0	0	0	0	113.1	D201 A265 E266	D201-G268 WeakPolarHBondContact O-CA 3.48Å; A265-G268 PolarHBondContact O-N 2.93Å; E266-G268 VanDerWaalsContact C-N 3.35Å
269	G	97.9	Very high	96.2	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-178.4	-178.9	0	0	0	0	0	113.2	A202 V204 L262	A202-G269 PolarHBondContact O-N 3.46Å; V204-G269 PolarHBondContact N-O 3.08Å; L262-G269 WeakPolarHBondContact CD1-O 3.47Å
270	V	98.8	Very high	96.3	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122	170.7	-174.1	0	0	0	0	107.5	A192 R196 V204 I206 Y256 V257	A192-V270 HydrophobicContact CB-CG1 4.01Å; A192-V270 HydrophobicContact CB-CG2 4.17Å; R196-V270 HydrophobicContact CG-CG2 3.69Å; V204-V270 HydrophobicContact CB-CG1 4.42Å; V204-V270 HydrophobicContact CB-CG2 4.24Å; V204-V270 WeakPolarHBondContact O-CA 2.99Å; I206-V270 HydrophobicContact CD1-CG1 3.92Å; I206-V270 HydrophobicContact CG1-CG1 4.23Å; Y256-V270 CarbonylContact C-O 3.51Å; Y256-V270 VanDerWaalsContact CA-O 3.27Å; Y256-V270 WeakPolarHBondContact CA-O 3.39Å; Y256-V270 HydrophobicContact CD1-CB 4.19Å; Y256-V270 HydrophobicContact CD1-CG1 4.01Å; Y256-V270 HydrophobicContact CE1-CG1 4.11Å; V257-V270 PolarHBondContact N-O 2.78Å
271	A	98.6	Very high	96.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152.8	169.7	0	0	0	0	0	110.7	V204 L205 I206 V257 A259 L262	V204-A271 PolarHBondContact O-N 3.3Å; L205-A271 HydrophobicContact CD1-CB 4.07Å; I206-A271 PolarHBondContact N-O 2.83Å; V257-A271 VanDerWaalsContact O-CA 3.29Å; V257-A271 WeakPolarHBondContact O-CA 3.45Å; V257-A271 WeakPolarHBondContact O-CB 3.44Å; A259-A271 HydrophobicContact CB-CB 4.11Å; L262-A271 HydrophobicContact CB-CB 4.16Å; L262-A271 HydrophobicContact CD1-CB 4.3Å; L262-A271 HydrophobicContact CD2-CB 3.93Å; L262-A271 HydrophobicContact CG-CB 4.34Å
272	V	98.7	Very high	96.7	Very high	19 Å²	19	47 Å²	47	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.5	176.2	-170.8	0	0	0	0	109	I206 T208 L213 P214 Y256 T274	I206-V272 HydrophobicContact CB-CG1 4.28Å; I206-V272 HydrophobicContact CB-CG2 4.23Å; I206-V272 HydrophobicContact CD1-CG2 4.33Å; I206-V272 HydrophobicContact CG2-CG1 4.21Å; I206-V272 CarbonylContact O-C 3.59Å; I206-V272 WeakPolarHBondContact O-CA 3.48Å; T208-V272 HydrophobicContact CG2-CG1 3.9Å; L213-V272 HydrophobicContact CD2-CB 3.79Å; L213-V272 HydrophobicContact CD2-CG1 4.13Å; L213-V272 HydrophobicContact CD2-CG2 3.97Å; P214-V272 HydrophobicContact CG-CG2 4.28Å; Y256-V272 HydrophobicContact CD1-CG2 3.57Å; Y256-V272 HydrophobicContact CE1-CG2 3.59Å; Y256-V272 HydrophobicContact CG-CG2 4.15Å; V272-T274 HydrophobicContact CG1-CG2 3.83Å
273	L	98.2	Very high	96.8	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	97.5	170.9	-175.5	61	0	0	0	108.6	L173 L205 I206 V207 T208 R276 L290 I296	L173-L273 HydrophobicContact CD1-CD1 4.05Å; L173-L273 HydrophobicContact CD1-CD2 4.32Å; L173-L273 HydrophobicContact CD2-CD1 3.73Å; L205-L273 HydrophobicContact CD1-CB 4.32Å; I206-L273 PolarHBondContact O-N 3.39Å; V207-L273 HydrophobicContact CG2-CB 4.37Å; V207-L273 HydrophobicContact CG2-CD2 4.4Å; T208-L273 PolarHBondContact N-O 3.17Å; L273-R276 HydrophobicContact CD1-CG 3.96Å; L273-R276 HydrophobicContact CD2-CB 4.15Å; L273-R276 HydrophobicContact CD2-CG 3.87Å; L273-R276 HydrophobicContact CG-CB 4Å; L273-R276 HydrophobicContact CG-CG 3.58Å; L273-L290 HydrophobicContact CD2-CD1 3.69Å; L273-I296 HydrophobicContact CD2-CD1 4.47Å
274	T	98.1	Very high	97	Very high	53 Å²	53	56.4 Å²	56.4	33%	0.325	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	159.2	-179.7	59	0	0	0	0	112.3	T208 E210 L213 V272 R276	T208-T274 HydrophobicContact CG2-CG2 3.91Å; T208-T274 CarbonylContact O-C 3.57Å; E210-T274 WeakPolarHBondContact O-CB 3.33Å; L213-T274 HydrophobicContact CD2-CG2 4.34Å; V272-T274 HydrophobicContact CG1-CG2 3.83Å; T274-R276 PolarHBondContact O-N 2.91Å
275	G	97.5	Very high	97.4	Very high	40 Å²	40	55 Å²	55	41%	0.412	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	20.5	178.9	0	0	0	0	0	114.8	T208 E210	T208-G275 PolarHBondContact O-N 2.84Å; E210-G275 PolarHBondContact O-N 2.91Å
276	R	97.6	Very high	97.6	Very high	81 Å²	81	56.7 Å²	56.7	31%	0.306	30%	0.295	S	S	.	.			trans	-123.7	126.3	179.8	-62.2	-56.1	-176.6	159.6	12	111.3	V207 T208 D209 L273 T274 L290 D292	V207-R276 HydrophobicContact CG1-CB 4.12Å; V207-R276 WeakPolarHBondContact CG1-O 3.22Å; T208-R276 CarbonylContact C-O 3.5Å; T208-R276 PolarHBondContact O-N 3.26Å; D209-R276 PolarHBondContact N-O 3.16Å; L273-R276 HydrophobicContact CD1-CG 3.96Å; L273-R276 HydrophobicContact CD2-CB 4.15Å; L273-R276 HydrophobicContact CD2-CG 3.87Å; L273-R276 HydrophobicContact CG-CB 4Å; L273-R276 HydrophobicContact CG-CG 3.58Å; T274-R276 PolarHBondContact O-N 2.91Å; R276-L290 HydrophobicContact CB-CD1 4.26Å; R276-L290 HydrophobicContact CG-CD1 4.49Å; R276-D292 IonicContact CZ-OD2 2.67Å; R276-D292 IonicContact NE-OD2 3.43Å; R276-D292 VanDerWaalsContact NH1-CB 3.29Å; R276-D292 IonicContact NH1-OD2 2.93Å; R276-D292 PolarHBondContact NH1-OD2 2.96Å; R276-D292 IonicContact NH2-OD2 2.83Å; R276-D292 PolarHBondContact NH2-OD2 2.95Å
277	K	98.2	Very high	97.9	Very high	71 Å²	71	52 Å²	52	31%	0.309	27%	0.272	S	S	.	.			trans	-99.5	129	177	-172.1	172.5	179.2	179.5	0	111	D209 V279 L290 D291 D450	D209-K277 HydrophobicContact CB-CB 4.01Å; D209-K277 HydrophobicContact CB-CG 4.34Å; K277-V279 HydrophobicContact CB-CG1 4.37Å; K277-V279 HydrophobicContact CD-CG1 4.44Å; K277-V279 HydrophobicContact CG-CG1 4.16Å; K277-V279 PolarHBondContact O-N 3.42Å; K277-L290 CarbonylContact O-C 3.57Å; K277-L290 VanDerWaalsContact O-CA 3.3Å; K277-L290 WeakPolarHBondContact O-CA 3.48Å; K277-D291 HydrophobicContact CB-CB 4.28Å; K277-D291 PolarHBondContact N-OD1 3.38Å; K277-D291 PolarHBondContact N-OD2 2.65Å; K277-D291 VanDerWaalsContact N-OD2 3.07Å; K277-D291 PolarHBondContact O-N 2.81Å; K277-D450 IonicContact NZ-OD2 2.68Å; K277-D450 PolarHBondContact NZ-OD2 3.06Å
278	V	98.6	Very high	98.2	Very high	10 Å²	10	47.2 Å²	47.2	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.7	162.7	-179.2	0	0	0	0	108.6	I182 V207 V288 L290 L451	I182-V278 HydrophobicContact CD1-CG1 4.28Å; I182-V278 HydrophobicContact CD1-CG2 4.43Å; I182-V278 HydrophobicContact CG1-CG2 4.24Å; I182-V278 HydrophobicContact CG2-CB 3.94Å; I182-V278 HydrophobicContact CG2-CG2 3.82Å; V207-V278 HydrophobicContact CB-CG2 4.25Å; V207-V278 HydrophobicContact CG1-CG2 3.9Å; V278-V288 HydrophobicContact CG1-CB 3.71Å; V278-V288 HydrophobicContact CG1-CG1 3.95Å; V278-V288 HydrophobicContact CG1-CG2 4.4Å; V278-V288 HydrophobicContact CG2-CG2 4.39Å; V278-L290 HydrophobicContact CB-CD2 4.44Å; V278-L290 HydrophobicContact CG2-CD2 3.69Å; V278-L451 HydrophobicContact CB-CD1 4.37Å; V278-L451 HydrophobicContact CG1-CD1 3.96Å; V278-L451 HydrophobicContact CG1-CD2 3.93Å
279	V	98.5	Very high	98.3	Very high	69 Å²	69	50 Å²	50	42%	0.418	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-18.6	-175.9	-61.7	0	0	0	0	113.3	K277 K289 L290 D291	K277-V279 HydrophobicContact CB-CG1 4.37Å; K277-V279 HydrophobicContact CD-CG1 4.44Å; K277-V279 HydrophobicContact CG-CG1 4.16Å; K277-V279 PolarHBondContact O-N 3.42Å; V279-K289 WeakPolarHBondContact CG2-O 3.33Å; V279-K289 PolarHBondContact N-O 2.72Å; V279-L290 WeakPolarHBondContact CG2-O 3.21Å; V279-D291 HydrophobicContact CG1-CB 3.93Å
280	H	98.7	Very high	98.3	Very high	89 Å²	89	49.8 Å²	49.8	41%	0.412	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.3	177.4	-170.4	89.6	0	0	0	110.9	V288 K289 S454	H280-V288 CarbonylContact O-C 3.07Å; H280-V288 VanDerWaalsContact O-CA 3.31Å; H280-V288 WeakPolarHBondContact O-CA 3.39Å; H280-K289 HydrophobicContact CB-CB 3.93Å; H280-K289 PolarHBondContact N-O 3.42Å; H280-K289 PolarHBondContact O-N 2.86Å; H280-S454 VanDerWaalsContact CE1-CB 3.5Å; H280-S454 WeakPolarHBondContact CE1-CB 3.39Å; H280-S454 WeakPolarHBondContact ND1-CB 3.41Å
281	M	98.6	Very high	98.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.2	176.3	179.7	178.1	-159.8	0	0	109.5	V283 V288 Y298 C301 I303 S454 A455 I478	M281-V283 HydrophobicContact CG-CG2 4.2Å; M281-V283 HydrophobicContact SD-CG2 4.36Å; M281-V288 HydrophobicContact CB-CG1 4.38Å; M281-V288 HydrophobicContact CG-CG1 4.22Å; M281-Y298 HydrophobicContact CE-CE1 4.22Å; M281-Y298 HydrophobicContact CE-CE2 4.47Å; M281-Y298 WeakPolarHBondContact CE-OH 3.08Å; M281-C301 HydrophobicContact CE-CB 4.13Å; M281-I303 HydrophobicContact SD-CD1 4.07Å; M281-S454 PolarHBondContact N-OG 3.03Å; M281-S454 CarbonylContact O-C 3.07Å; M281-A455 HydrophobicContact CB-CB 4.03Å; M281-A455 HydrophobicContact CG-CB 4.06Å; M281-A455 WeakPolarHBondContact O-CA 3.42Å; M281-A455 PolarHBondContact O-N 2.88Å; M281-A455 HydrophobicContact SD-CB 3.89Å; M281-I478 HydrophobicContact CE-CD1 3.41Å; M281-I478 VanDerWaalsContact CE-CD1 3.41Å; M281-I478 HydrophobicContact CE-CG1 3.81Å; M281-I478 HydrophobicContact CE-CG2 4.04Å; M281-I478 HydrophobicContact SD-CD1 4.5Å
282	D	98.4	Very high	98.1	Very high	70 Å²	70	55.7 Å²	55.7	37%	0.374	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.7	168.7	178.4	4.7	0	0	0	108.8	R284 G285 N286 K287	D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact OD1-N 2.84Å; D282-G285 VanDerWaalsContact CG-N 3.27Å; D282-G285 PolarHBondContact OD1-N 3.49Å; D282-G285 WeakPolarHBondContact OD2-CA 3.44Å; D282-G285 PolarHBondContact OD2-N 2.86Å; D282-N286 PolarHBondContact O-N 3.01Å; D282-K287 PolarHBondContact N-O 3.39Å; D282-K287 PolarHBondContact O-N 2.71Å
283	V	98.3	Very high	98	Very high	29 Å²	29	60.1 Å²	60.1	18%	0.176	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.5	179.2	172.6	0	0	0	0	112.1	M281 N286 A455 R475 I478	M281-V283 HydrophobicContact CG-CG2 4.2Å; M281-V283 HydrophobicContact SD-CG2 4.36Å; V283-N286 PolarHBondContact O-OD1 2.88Å; V283-A455 HydrophobicContact CG2-CB 3.68Å; V283-A455 WeakPolarHBondContact CG2-O 3.23Å; V283-R475 HydrophobicContact CG1-CG 4.01Å; V283-I478 HydrophobicContact CB-CD1 4.19Å; V283-I478 HydrophobicContact CG1-CD1 3.74Å; V283-I478 HydrophobicContact CG2-CD1 3.63Å
284	R	97.7	Very high	97.9	Very high	239 Å²	239	61.2 Å²	61.2	90%	0.902	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-39.4	-178.8	-175.5	-178.4	177.7	-166.8	-1.2	111	D282 N286	D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact OD1-N 2.84Å; R284-N286 VanDerWaalsContact C-N 3.28Å
285	G	97.9	Very high	97.9	Very high	35 Å²	35	63.4 Å²	63.4	36%	0.361	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.4	176.2	0	0	0	0	0	114.4	D282 K287	D282-G285 VanDerWaalsContact CG-N 3.27Å; D282-G285 PolarHBondContact OD1-N 3.49Å; D282-G285 WeakPolarHBondContact OD2-CA 3.44Å; D282-G285 PolarHBondContact OD2-N 2.86Å; G285-K287 VanDerWaalsContact C-N 3.33Å; G285-K287 PolarHBondContact O-N 2.92Å
286	N	98.6	Very high	97.9	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	50.3	-171.5	-66.9	-31	0	0	0	112.5	D282 V283 R284 S297 Y298 N477	D282-N286 PolarHBondContact O-N 3.01Å; V283-N286 PolarHBondContact O-OD1 2.88Å; R284-N286 VanDerWaalsContact C-N 3.28Å; N286-S297 CarbonylContact O-C 3.36Å; N286-S297 VanDerWaalsContact O-CA 3.26Å; N286-S297 WeakPolarHBondContact O-CA 3.46Å; N286-Y298 HydrophobicContact CB-CD2 4.3Å; N286-Y298 HydrophobicContact CB-CE2 4.05Å; N286-Y298 WeakPolarHBondContact CB-O 3.32Å; N286-Y298 WeakPolarHBondContact O-CD1 3.48Å; N286-Y298 PolarHBondContact O-N 2.87Å; N286-N477 PolarHBondContact OD1-ND2 2.84Å
287	K	98.4	Very high	98	Very high	81 Å²	81	59.1 Å²	59.1	35%	0.352	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.4	-176.6	-76.1	177.1	169.7	-158.4	0	112.4	D282 G285 E295 I296 Y298	D282-K287 PolarHBondContact N-O 3.39Å; D282-K287 PolarHBondContact O-N 2.71Å; G285-K287 VanDerWaalsContact C-N 3.33Å; G285-K287 PolarHBondContact O-N 2.92Å; K287-E295 IonicContact NZ-OE2 3.9Å; K287-E295 PolarHBondContact NZ-OE2 2.87Å; K287-I296 CarbonylContact C-O 3.24Å; K287-I296 WeakPolarHBondContact CA-O 3.42Å; K287-Y298 VanDerWaalsContact N-CE1 3.34Å
288	V	98.7	Very high	98	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.7	165.5	-60.8	0	0	0	0	110.3	L180 I182 V278 H280 M281 E295 I296 Y298	L180-V288 HydrophobicContact CD2-CB 4.29Å; L180-V288 HydrophobicContact CD2-CG1 3.71Å; L180-V288 HydrophobicContact CD2-CG2 3.55Å; I182-V288 HydrophobicContact CD1-CG1 3.96Å; V278-V288 HydrophobicContact CG1-CB 3.71Å; V278-V288 HydrophobicContact CG1-CG1 3.95Å; V278-V288 HydrophobicContact CG1-CG2 4.4Å; V278-V288 HydrophobicContact CG2-CG2 4.39Å; H280-V288 CarbonylContact O-C 3.07Å; H280-V288 VanDerWaalsContact O-CA 3.31Å; H280-V288 WeakPolarHBondContact O-CA 3.39Å; M281-V288 HydrophobicContact CB-CG1 4.38Å; M281-V288 HydrophobicContact CG-CG1 4.22Å; V288-E295 VanDerWaalsContact O-CA 3.32Å; V288-E295 WeakPolarHBondContact O-CA 3.48Å; V288-I296 HydrophobicContact CG2-CB 3.93Å; V288-I296 PolarHBondContact N-O 2.85Å; V288-I296 PolarHBondContact O-N 2.93Å; V288-Y298 HydrophobicContact CG1-CD1 4.23Å; V288-Y298 HydrophobicContact CG1-CE1 3.85Å
289	K	98.6	Very high	98	Very high	68 Å²	68	59.6 Å²	59.6	30%	0.296	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.7	171	-166.2	179.3	171	-179	0	109.6	V279 H280 D293 M294 E295	V279-K289 WeakPolarHBondContact CG2-O 3.33Å; V279-K289 PolarHBondContact N-O 2.72Å; H280-K289 HydrophobicContact CB-CB 3.93Å; H280-K289 PolarHBondContact N-O 3.42Å; H280-K289 PolarHBondContact O-N 2.86Å; K289-D293 VanDerWaalsContact CE-CA 3.42Å; K289-D293 WeakPolarHBondContact CE-OD1 3.14Å; K289-D293 IonicContact NZ-OD1 3.82Å; K289-D293 PolarHBondContact NZ-OD1 3.02Å; K289-M294 CarbonylContact C-O 3.56Å; K289-M294 WeakPolarHBondContact CA-O 3.43Å; K289-E295 HydrophobicContact CG-CG 4.49Å
290	L	98.3	Very high	98	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	171.7	176.2	-54.2	-169.9	0	0	0	111.5	V207 L273 R276 K277 V278 V279 D292 D293 M294 I296	V207-L290 HydrophobicContact CG1-CD2 3.95Å; L273-L290 HydrophobicContact CD2-CD1 3.69Å; R276-L290 HydrophobicContact CB-CD1 4.26Å; R276-L290 HydrophobicContact CG-CD1 4.49Å; K277-L290 CarbonylContact O-C 3.57Å; K277-L290 VanDerWaalsContact O-CA 3.3Å; K277-L290 WeakPolarHBondContact O-CA 3.48Å; V278-L290 HydrophobicContact CB-CD2 4.44Å; V278-L290 HydrophobicContact CG2-CD2 3.69Å; V279-L290 WeakPolarHBondContact CG2-O 3.21Å; L290-D292 WeakPolarHBondContact CB-OD1 3.31Å; L290-D292 PolarHBondContact O-N 3.46Å; L290-D293 PolarHBondContact O-N 2.92Å; L290-M294 HydrophobicContact CB-CB 4.38Å; L290-M294 HydrophobicContact CD1-CB 4.23Å; L290-M294 HydrophobicContact CD1-SD 4.32Å; L290-M294 HydrophobicContact CG-CB 4.39Å; L290-M294 PolarHBondContact N-O 3.03Å; L290-I296 HydrophobicContact CD1-CD1 3.97Å; L290-I296 HydrophobicContact CG-CD1 4.39Å
291	D	97.6	Very high	98	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.9	179	51.7	-3.3	0	0	0	114.4	K277 V279	K277-D291 HydrophobicContact CB-CB 4.28Å; K277-D291 PolarHBondContact N-OD1 3.38Å; K277-D291 PolarHBondContact N-OD2 2.65Å; K277-D291 VanDerWaalsContact N-OD2 3.07Å; K277-D291 PolarHBondContact O-N 2.81Å; V279-D291 HydrophobicContact CG1-CB 3.93Å
292	D	95.6	Very high	98	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	18.2	171.7	69.1	-8.2	0	0	0	113.8	R276 L290 M294	R276-D292 IonicContact CZ-OD2 2.67Å; R276-D292 IonicContact NE-OD2 3.43Å; R276-D292 VanDerWaalsContact NH1-CB 3.29Å; R276-D292 IonicContact NH1-OD2 2.93Å; R276-D292 PolarHBondContact NH1-OD2 2.96Å; R276-D292 IonicContact NH2-OD2 2.83Å; R276-D292 PolarHBondContact NH2-OD2 2.95Å; L290-D292 WeakPolarHBondContact CB-OD1 3.31Å; L290-D292 PolarHBondContact O-N 3.46Å; D292-M294 PolarHBondContact O-N 3.02Å; D292-M294 VanDerWaalsContact OD1-CB 3.23Å; D292-M294 WeakPolarHBondContact OD1-CB 3.48Å; D292-M294 PolarHBondContact OD1-N 3.36Å; D292-M294 VanDerWaalsContact OD1-N 3.1Å
293	D	96	Very high	98.1	Very high	111 Å²	111	51.8 Å²	51.8	59%	0.594	26%	0.256	S	S	*	.	S	Bend	trans	69.2	0.1	-177.7	-60.9	-56.3	0	0	0	116.5	K289 L290 E295	K289-D293 VanDerWaalsContact CE-CA 3.42Å; K289-D293 WeakPolarHBondContact CE-OD1 3.14Å; K289-D293 IonicContact NZ-OD1 3.82Å; K289-D293 PolarHBondContact NZ-OD1 3.02Å; L290-D293 PolarHBondContact O-N 2.92Å; D293-E295 PolarHBondContact O-N 2.8Å
294	M	95.7	Very high	98.1	Very high	41 Å²	41	50.8 Å²	50.8	20%	0.202	25%	0.251	C	S	.	.			trans	-62.4	136.9	175	-172.7	-172.9	173.1	0	0	111.3	L173 P174 K289 L290 D292 I296	L173-M294 HydrophobicContact CB-CE 3.31Å; L173-M294 HydrophobicContact CB-SD 3.53Å; L173-M294 VanDerWaalsContact CB-SD 3.53Å; L173-M294 HydrophobicContact CD1-SD 3.6Å; L173-M294 HydrophobicContact CG-SD 4.23Å; L173-M294 WeakPolarHBondContact O-CE 3.29Å; P174-M294 WeakPolarHBondContact O-CE 3.43Å; K289-M294 CarbonylContact C-O 3.56Å; K289-M294 WeakPolarHBondContact CA-O 3.43Å; L290-M294 HydrophobicContact CB-CB 4.38Å; L290-M294 HydrophobicContact CD1-CB 4.23Å; L290-M294 HydrophobicContact CD1-SD 4.32Å; L290-M294 HydrophobicContact CG-CB 4.39Å; L290-M294 PolarHBondContact N-O 3.03Å; D292-M294 PolarHBondContact O-N 3.02Å; D292-M294 VanDerWaalsContact OD1-CB 3.23Å; D292-M294 WeakPolarHBondContact OD1-CB 3.48Å; D292-M294 PolarHBondContact OD1-N 3.36Å; D292-M294 VanDerWaalsContact OD1-N 3.1Å; M294-I296 HydrophobicContact CE-CD1 4.39Å; M294-I296 HydrophobicContact CE-CG1 3.99Å; M294-I296 HydrophobicContact SD-CG1 4.44Å
295	E	97.6	Very high	98.1	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.463	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.4	172.9	-68.2	-168.9	174.5	0	0	111.8	K287 V288 K289 D293	K287-E295 IonicContact NZ-OE2 3.9Å; K287-E295 PolarHBondContact NZ-OE2 2.87Å; V288-E295 VanDerWaalsContact O-CA 3.32Å; V288-E295 WeakPolarHBondContact O-CA 3.48Å; K289-E295 HydrophobicContact CG-CG 4.49Å; D293-E295 PolarHBondContact O-N 2.8Å
296	I	98.4	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.6	173.9	-55.2	177.9	0	0	0	108.2	A177 L205 L273 K287 V288 L290 M294	A177-I296 HydrophobicContact CB-CG2 4.37Å; L205-I296 HydrophobicContact CD2-CD1 3.86Å; L205-I296 HydrophobicContact CD2-CG2 4.27Å; L273-I296 HydrophobicContact CD2-CD1 4.47Å; K287-I296 CarbonylContact C-O 3.24Å; K287-I296 WeakPolarHBondContact CA-O 3.42Å; V288-I296 HydrophobicContact CG2-CB 3.93Å; V288-I296 PolarHBondContact N-O 2.85Å; V288-I296 PolarHBondContact O-N 2.93Å; L290-I296 HydrophobicContact CD1-CD1 3.97Å; L290-I296 HydrophobicContact CG-CD1 4.39Å; M294-I296 HydrophobicContact CE-CD1 4.39Å; M294-I296 HydrophobicContact CE-CG1 3.99Å; M294-I296 HydrophobicContact SD-CG1 4.44Å
297	S	98.7	Very high	98	Very high	29 Å²	29	37.8 Å²	37.8	20%	0.203	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	155.3	171.3	60.3	0	0	0	0	111.7	S175 H176 A177 N286	S175-S297 PolarHBondContact O-N 3.32Å; S175-S297 PolarHBondContact O-OG 3.37Å; H176-S297 CarbonylContact C-O 3.57Å; H176-S297 WeakPolarHBondContact CA-O 3.5Å; H176-S297 WeakPolarHBondContact CB-OG 3.44Å; H176-S297 PolarHBondContact ND1-O 2.82Å; H176-S297 PolarHBondContact ND1-OG 3Å; A177-S297 PolarHBondContact N-O 3.41Å; N286-S297 CarbonylContact O-C 3.36Å; N286-S297 VanDerWaalsContact O-CA 3.26Å; N286-S297 WeakPolarHBondContact O-CA 3.46Å
298	Y	98.8	Very high	97.9	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.5	-178.7	58.3	-96.5	0	0	0	113.2	A177 L180 M281 N286 K287 V288 C301	A177-Y298 VanDerWaalsContact O-CA 3.22Å; A177-Y298 WeakPolarHBondContact O-CA 3.42Å; L180-Y298 HydrophobicContact CB-CG 4.32Å; L180-Y298 HydrophobicContact CD2-CD1 3.62Å; L180-Y298 HydrophobicContact CD2-CE1 4.4Å; L180-Y298 HydrophobicContact CD2-CG 4.16Å; M281-Y298 HydrophobicContact CE-CE1 4.22Å; M281-Y298 HydrophobicContact CE-CE2 4.47Å; M281-Y298 WeakPolarHBondContact CE-OH 3.08Å; N286-Y298 HydrophobicContact CB-CD2 4.3Å; N286-Y298 HydrophobicContact CB-CE2 4.05Å; N286-Y298 WeakPolarHBondContact CB-O 3.32Å; N286-Y298 WeakPolarHBondContact O-CD1 3.48Å; N286-Y298 PolarHBondContact O-N 2.87Å; K287-Y298 VanDerWaalsContact N-CE1 3.34Å; V288-Y298 HydrophobicContact CG1-CD1 4.23Å; V288-Y298 HydrophobicContact CG1-CE1 3.85Å; Y298-C301 HydrophobicContact CD1-CB 4.46Å; Y298-C301 HydrophobicContact CD2-CB 3.62Å; Y298-C301 HydrophobicContact CE1-CB 4.44Å; Y298-C301 HydrophobicContact CE2-CB 3.6Å; Y298-C301 HydrophobicContact CG-CB 4.08Å
299	D	98.8	Very high	97.7	Very high	88 Å²	88	39.1 Å²	39.1	47%	0.471	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-49.7	167.9	-61.7	-30	0	0	0	110.3	H176 P178 N477	H176-D299 IonicContact CE1-OD1 3.8Å; H176-D299 PolarHBondContact CE1-OD1 3.13Å; H176-D299 VanDerWaalsContact CE1-OD1 3.3Å; H176-D299 IonicContact NE2-OD1 3.46Å; H176-D299 IonicContact NE2-OD2 3.6Å; P178-D299 WeakPolarHBondContact O-CB 3.31Å; P178-D299 PolarHBondContact O-N 3.16Å; D299-N477 WeakPolarHBondContact O-CB 3.25Å; D299-N477 PolarHBondContact O-ND2 2.7Å
300	K	98.9	Very high	97.5	Very high	65 Å²	65	41 Å²	41	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.4	179.4	-64.8	171.3	-174.4	157.4	0	110.6	P178 Y179 L180 W479 M514	P178-K300 PolarHBondContact O-N 2.75Å; Y179-K300 WeakPolarHBondContact CA-O 3.49Å; Y179-K300 HydrophobicContact CD1-CB 4.11Å; Y179-K300 HydrophobicContact CD1-CD 4.26Å; Y179-K300 HydrophobicContact CE1-CB 4.48Å; Y179-K300 HydrophobicContact CE1-CD 3.78Å; L180-K300 PolarHBondContact N-O 2.67Å; K300-W479 HydrophobicContact CB-CZ3 4.07Å; K300-W479 HydrophobicContact CD-CZ3 4.45Å; K300-W479 HydrophobicContact CG-CZ3 4.1Å; K300-M514 HydrophobicContact CB-CE 4.01Å; K300-M514 HydrophobicContact CB-CG 4.49Å; K300-M514 HydrophobicContact CD-CB 4.24Å; K300-M514 WeakPolarHBondContact CD-O 3.42Å; K300-M514 WeakPolarHBondContact CE-O 3.39Å; K300-M514 PolarHBondContact NZ-O 3.4Å
301	C	98.9	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.5	-177.1	-177.6	0	0	0	0	112.1	L180 I182 M281 Y298 N477 I478 W479	L180-C301 CarbonylContact O-C 3.58Å; L180-C301 VanDerWaalsContact O-CA 3.25Å; L180-C301 WeakPolarHBondContact O-CA 3.4Å; I182-C301 VanDerWaalsContact CD1-SG 3.58Å; M281-C301 HydrophobicContact CE-CB 4.13Å; Y298-C301 HydrophobicContact CD1-CB 4.46Å; Y298-C301 HydrophobicContact CD2-CB 3.62Å; Y298-C301 HydrophobicContact CE1-CB 4.44Å; Y298-C301 HydrophobicContact CE2-CB 3.6Å; Y298-C301 HydrophobicContact CG-CB 4.08Å; C301-N477 PolarHBondContact N-O 3.25Å; C301-I478 HydrophobicContact CB-CG1 4.35Å; C301-I478 WeakPolarHBondContact O-CA 3.49Å; C301-W479 PolarHBondContact O-N 3.41Å
302	L	98.9	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.4	165.6	177.8	61.8	0	0	0	109.8	L180 L181 I182 A191 A304 W479 A481 A510 M514	L180-L302 PolarHBondContact O-N 2.91Å; L181-L302 HydrophobicContact CB-CB 4.46Å; L181-L302 HydrophobicContact CD2-CB 3.54Å; L181-L302 HydrophobicContact CD2-CD2 4.11Å; L181-L302 HydrophobicContact CD2-CG 4.46Å; I182-L302 PolarHBondContact N-O 2.92Å; A191-L302 HydrophobicContact CB-CD2 3.33Å; L302-A304 HydrophobicContact CD2-CB 4.22Å; L302-A304 HydrophobicContact CG-CB 4.11Å; L302-W479 HydrophobicContact CD1-CB 3.86Å; L302-A481 HydrophobicContact CD1-CB 3.9Å; L302-A510 HydrophobicContact CD1-CB 3.83Å; L302-M514 HydrophobicContact CB-CE 4.23Å; L302-M514 HydrophobicContact CB-SD 4.01Å
303	I	98.9	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	112.7	165.9	-56.1	175.7	0	0	0	108.1	I182 M281 T305 L457 Y466 I478 W479 V480 A481	I182-I303 HydrophobicContact CD1-CG1 4.49Å; M281-I303 HydrophobicContact SD-CD1 4.07Å; I303-T305 HydrophobicContact CG2-CG2 3.95Å; I303-L457 HydrophobicContact CD1-CD1 3.54Å; I303-Y466 HydrophobicContact CD1-CE1 4.3Å; I303-Y466 HydrophobicContact CG2-CD2 4.23Å; I303-Y466 HydrophobicContact CG2-CE2 3.7Å; I303-I478 HydrophobicContact CD1-CG2 3.9Å; I303-I478 HydrophobicContact CG1-CG2 4.08Å; I303-W479 PolarHBondContact N-O 3.27Å; I303-V480 HydrophobicContact CB-CG1 4.22Å; I303-V480 HydrophobicContact CB-CG2 4.19Å; I303-V480 HydrophobicContact CG2-CG1 4.37Å; I303-V480 VanDerWaalsContact O-CA 3.28Å; I303-V480 WeakPolarHBondContact O-CA 3.06Å; I303-V480 VanDerWaalsContact O-CG1 3.27Å; I303-V480 WeakPolarHBondContact O-CG1 3.43Å; I303-A481 PolarHBondContact O-N 3.48Å; I303-A481 VanDerWaalsContact O-N 3.15Å
304	A	98.8	Very high	96.7	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	22%	0.215	C	C	.	.			trans	-134.2	41.9	179.5	0	0	0	0	0	110.2	I182 A187 S188 L302 G306	I182-A304 CarbonylContact O-C 3.54Å; I182-A304 WeakPolarHBondContact O-CA 3.49Å; I182-A304 PolarHBondContact O-N 3.44Å; A187-A304 HydrophobicContact CB-CB 4Å; S188-A304 VanDerWaalsContact OG-CB 3.22Å; S188-A304 WeakPolarHBondContact OG-CB 3.42Å; L302-A304 HydrophobicContact CD2-CB 4.22Å; L302-A304 HydrophobicContact CG-CB 4.11Å; A304-G306 PolarHBondContact O-N 3.19Å; A304-G306 VanDerWaalsContact O-N 3.1Å
305	T	98.6	Very high	96.6	Very high	28 Å²	28	38.7 Å²	38.7	17%	0.172	21%	0.205	C	C	.	.			trans	-69.5	-3.4	-175	49	0	0	0	0	114.4	I182 I303 G307 N448	I182-T305 HydrophobicContact CG2-CG2 3.82Å; I182-T305 PolarHBondContact O-N 3.32Å; I303-T305 HydrophobicContact CG2-CG2 3.95Å; T305-G307 PolarHBondContact O-N 3.12Å; T305-N448 WeakPolarHBondContact O-CB 3.47Å; T305-N448 PolarHBondContact OG1-O 2.9Å
306	G	98	Very high	96.3	Very high	14 Å²	14	38.9 Å²	38.9	14%	0.144	21%	0.206	C	C	.	.			trans	60.7	-130.8	178.9	0	0	0	0	0	112.3	A304 N448	A304-G306 PolarHBondContact O-N 3.19Å; A304-G306 VanDerWaalsContact O-N 3.1Å; G306-N448 PolarHBondContact O-N 2.82Å
307	G	96.4	Very high	96.1	Very high	13 Å²	13	48 Å²	48	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.2	178.4	0	0	0	0	0	113.1	T305 E446	T305-G307 PolarHBondContact O-N 3.12Å; G307-E446 CarbonylContact C-O 3.5Å; G307-E446 WeakPolarHBondContact CA-O 3.31Å
308	V	95.8	Very high	95.8	Very high	77 Å²	77	48.1 Å²	48.1	47%	0.467	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	176.7	-175.4	0	0	0	0	107.8	E446 N448	V308-E446 PolarHBondContact N-O 3.14Å; V308-E446 PolarHBondContact O-N 3.21Å; V308-N448 HydrophobicContact CG2-CB 4.13Å
309	P	95.3	Very high	95.6	Very high	35 Å²	35	49.7 Å²	49.7	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.8	-178	-2.2	16.2	0	0	0	110.7	V328 R330 L445	P309-V328 HydrophobicContact CB-CG1 3.47Å; P309-V328 VanDerWaalsContact CB-CG1 3.47Å; P309-V328 HydrophobicContact CG-CG1 3.85Å; P309-R330 HydrophobicContact CG-CB 3.58Å; P309-R330 HydrophobicContact CG-CG 3.9Å; P309-L445 HydrophobicContact CB-CD1 4.3Å; P309-L445 HydrophobicContact CG-CD1 4.32Å
310	R	94.1	Very high	95.4	Very high	107 Å²	107	51.9 Å²	51.9	40%	0.404	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-69.6	137.5	178.7	-70.9	178	-179.1	157	1.9	109.7	V443 G444 E446	R310-V443 HydrophobicContact CB-CG2 4Å; R310-V443 VanDerWaalsContact O-CG2 3.29Å; R310-V443 WeakPolarHBondContact O-CG2 3.45Å; R310-G444 PolarHBondContact N-O 3.25Å; R310-E446 HydrophobicContact CG-CG 3.86Å; R310-E446 IonicContact CZ-OE1 2.72Å; R310-E446 IonicContact NE-OE1 2.64Å; R310-E446 PolarHBondContact NE-OE1 3.16Å; R310-E446 IonicContact NH2-OE1 2.7Å; R310-E446 PolarHBondContact NH2-OE1 3.08Å; R310-E446 IonicContact NH2-OE2 3.46Å
311	N	91.1	Very high	95.2	Very high	39 Å²	39	52.2 Å²	52.2	21%	0.209	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-101.9	162.6	163.7	-159.3	-2.4	0	0	0	110.2	E316 V328	N311-E316 HydrophobicContact CB-CG 4.08Å; N311-V328 HydrophobicContact CB-CG2 4.4Å
312	L	91.6	Very high	95.1	Very high	42 Å²	42	52.3 Å²	52.3	22%	0.22	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-81.1	127.3	171.8	-70.7	174.9	0	0	0	109.8	V314 I315 E316 I351 V443	L312-V314 HydrophobicContact CB-CG2 3.9Å; L312-V314 PolarHBondContact O-N 3.46Å; L312-I315 HydrophobicContact CB-CB 4.38Å; L312-I315 HydrophobicContact CB-CD1 4.08Å; L312-I315 HydrophobicContact CB-CG1 4.05Å; L312-I315 HydrophobicContact CD1-CD1 4.13Å; L312-I315 WeakPolarHBondContact O-CA 3.27Å; L312-I315 WeakPolarHBondContact O-CB 3.29Å; L312-I315 PolarHBondContact O-N 3.45Å; L312-E316 PolarHBondContact O-N 2.94Å; L312-E316 VanDerWaalsContact O-N 3.09Å; L312-I351 HydrophobicContact CD1-CB 4.24Å; L312-I351 HydrophobicContact CD1-CD1 3.99Å; L312-I351 HydrophobicContact CD1-CG2 3.59Å; L312-V443 HydrophobicContact CD2-CG1 4.22Å; L312-V443 HydrophobicContact CD2-CG2 4.29Å; L312-V443 HydrophobicContact CG-CG1 4.38Å; L312-V443 HydrophobicContact CG-CG2 4.35Å
313	Q	93	Very high	95	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-54.8	-29.8	176.9	-66.5	-173.1	0.9	0	0	113.3	I315 R317	Q313-I315 VanDerWaalsContact C-N 3.3Å; Q313-R317 WeakPolarHBondContact O-CB 3.35Å; Q313-R317 WeakPolarHBondContact O-CD 3.37Å; Q313-R317 WeakPolarHBondContact O-CG 3.33Å; Q313-R317 PolarHBondContact O-N 3.31Å; Q313-R317 VanDerWaalsContact O-N 3.12Å
314	V	93.9	Very high	94.8	Very high	46 Å²	46	62.8 Å²	62.8	28%	0.279	32%	0.319	S	S	.	.	H	α-helix	trans	-69	-27	176.3	-66.7	0	0	0	0	112.9	L312 A318 V414	L312-V314 HydrophobicContact CB-CG2 3.9Å; L312-V314 PolarHBondContact O-N 3.46Å; V314-A318 WeakPolarHBondContact O-CB 3.33Å; V314-V414 HydrophobicContact CG2-CB 4.42Å; V314-V414 HydrophobicContact CG2-CG1 3.84Å
315	I	93.8	Very high	94.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-80.2	-47.2	174	-66.6	179.4	0	0	0	109.5	L312 Q313 R317 A318 V322 T326 I351 V417 I439	L312-I315 HydrophobicContact CB-CB 4.38Å; L312-I315 HydrophobicContact CB-CD1 4.08Å; L312-I315 HydrophobicContact CB-CG1 4.05Å; L312-I315 HydrophobicContact CD1-CD1 4.13Å; L312-I315 WeakPolarHBondContact O-CA 3.27Å; L312-I315 WeakPolarHBondContact O-CB 3.29Å; L312-I315 PolarHBondContact O-N 3.45Å; Q313-I315 VanDerWaalsContact C-N 3.3Å; I315-R317 PolarHBondContact O-N 3.09Å; I315-R317 VanDerWaalsContact O-N 3.14Å; I315-A318 WeakPolarHBondContact O-CB 3.41Å; I315-A318 PolarHBondContact O-N 3.04Å; I315-V322 HydrophobicContact CG2-CG1 4.16Å; I315-T326 HydrophobicContact CD1-CG2 4.08Å; I315-T326 HydrophobicContact CG2-CG2 4.05Å; I315-I351 HydrophobicContact CD1-CD1 4.14Å; I315-V417 HydrophobicContact CG1-CG2 4.06Å; I315-I439 HydrophobicContact CD1-CG2 4.06Å
316	E	92.2	Very high	94.8	Very high	102 Å²	102	64.7 Å²	64.7	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-33.2	178.7	-64.7	176.2	156.4	0	0	112.4	N311 L312	N311-E316 HydrophobicContact CB-CG 4.08Å; L312-E316 PolarHBondContact O-N 2.94Å; L312-E316 VanDerWaalsContact O-N 3.09Å
317	R	93.5	Very high	94.8	Very high	192 Å²	192	64.5 Å²	64.5	73%	0.725	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.2	178.7	-65.3	174	-171.7	167.2	10.1	114.1	Q313 I315 G319	Q313-R317 WeakPolarHBondContact O-CB 3.35Å; Q313-R317 WeakPolarHBondContact O-CD 3.37Å; Q313-R317 WeakPolarHBondContact O-CG 3.33Å; Q313-R317 PolarHBondContact O-N 3.31Å; Q313-R317 VanDerWaalsContact O-N 3.12Å; I315-R317 PolarHBondContact O-N 3.09Å; I315-R317 VanDerWaalsContact O-N 3.14Å; R317-G319 VanDerWaalsContact C-N 3.33Å
318	A	93.3	Very high	94.8	Very high	33 Å²	33	65.6 Å²	65.6	27%	0.273	32%	0.323	S	S	.	.	S	Bend	trans	-82.5	-8.5	-173.8	0	0	0	0	0	114.2	V314 I315 V322 V417	V314-A318 WeakPolarHBondContact O-CB 3.33Å; I315-A318 WeakPolarHBondContact O-CB 3.41Å; I315-A318 PolarHBondContact O-N 3.04Å; A318-V322 HydrophobicContact CB-CB 3.82Å; A318-V322 HydrophobicContact CB-CG1 3.82Å; A318-V322 HydrophobicContact CB-CG2 3.85Å; A318-V417 HydrophobicContact CB-CB 4.4Å; A318-V417 VanDerWaalsContact CB-O 3.28Å; A318-V417 WeakPolarHBondContact CB-O 3.23Å
319	G	92.9	Very high	94.9	Very high	36 Å²	36	62.2 Å²	62.2	37%	0.371	30%	0.302	S	S	.	.			trans	99.5	169.5	178.8	0	0	0	0	0	113.8	R317 E321 V322 M323	R317-G319 VanDerWaalsContact C-N 3.33Å; G319-E321 PolarHBondContact O-N 2.78Å; G319-V322 PolarHBondContact O-N 2.95Å; G319-M323 PolarHBondContact O-N 3.36Å
320	E	94.6	Very high	95	Very high	133 Å²	133	63.1 Å²	63.1	62%	0.621	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-39.3	-170.5	-66.4	-176.7	-178.5	0	0	113.7	V322 M323 K324	E320-V322 VanDerWaalsContact C-N 3.28Å; E320-V322 PolarHBondContact O-N 2.91Å; E320-M323 PolarHBondContact O-N 3.01Å; E320-M323 VanDerWaalsContact O-N 3.15Å; E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 2.76Å
321	E	95.5	Very high	95.2	Very high	72 Å²	72	61 Å²	61	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-32.5	-177.6	-70.3	-54	119.4	0	0	113.2	G319 K324 R325 Y419	G319-E321 PolarHBondContact O-N 2.78Å; E321-K324 IonicContact OE1-NZ 2.97Å; E321-K324 PolarHBondContact OE1-NZ 2.96Å; E321-R325 PolarHBondContact O-NH1 3.43Å; E321-R325 IonicContact OE2-CZ 3.24Å; E321-R325 IonicContact OE2-NH1 3.99Å; E321-R325 PolarHBondContact OE2-NH1 2.76Å; E321-R325 IonicContact OE2-NH2 2.79Å; E321-R325 PolarHBondContact OE2-NH2 3.02Å; E321-Y419 HydrophobicContact CB-CD1 3.85Å; E321-Y419 HydrophobicContact CB-CG 4.3Å; E321-Y419 HydrophobicContact CG-CD1 4.35Å
322	V	97.5	Very high	95.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-73.2	-42.1	173.4	174.5	0	0	0	0	110.4	I315 A318 G319 E320 R325 T326 V417 L424	I315-V322 HydrophobicContact CG2-CG1 4.16Å; A318-V322 HydrophobicContact CB-CB 3.82Å; A318-V322 HydrophobicContact CB-CG1 3.82Å; A318-V322 HydrophobicContact CB-CG2 3.85Å; G319-V322 PolarHBondContact O-N 2.95Å; E320-V322 VanDerWaalsContact C-N 3.28Å; E320-V322 PolarHBondContact O-N 2.91Å; V322-R325 CarbonylContact O-C 3.48Å; V322-R325 PolarHBondContact O-N 3.43Å; V322-T326 PolarHBondContact O-N 2.89Å; V322-T326 PolarHBondContact O-OG1 3.17Å; V322-V417 HydrophobicContact CG1-CB 4.13Å; V322-V417 HydrophobicContact CG1-CG1 3.55Å; V322-V417 HydrophobicContact CG2-CG1 4.27Å; V322-L424 HydrophobicContact CB-CD2 4.26Å; V322-L424 HydrophobicContact CG1-CD2 4.19Å; V322-L424 HydrophobicContact CG2-CD2 3.93Å
323	M	95.8	Very high	95.8	Very high	88 Å²	88	61 Å²	61	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-41	178.5	-65.6	-152.8	-57.4	0	0	112.5	G319 E320 R325 T326	G319-M323 PolarHBondContact O-N 3.36Å; E320-M323 PolarHBondContact O-N 3.01Å; E320-M323 VanDerWaalsContact O-N 3.15Å; M323-R325 PolarHBondContact O-N 3.41Å; M323-T326 PolarHBondContact O-N 2.8Å
324	K	96	Very high	96.1	Very high	132 Å²	132	57 Å²	57	57%	0.574	28%	0.278	S	S	*	.	H	α-helix	trans	-59.9	-25.5	175.9	-72.3	172.9	-168.8	165.5	0	113.3	E320 E321	E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 2.76Å; E321-K324 IonicContact OE1-NZ 2.97Å; E321-K324 PolarHBondContact OE1-NZ 2.96Å
325	R	97.8	Very high	96.3	Very high	59 Å²	59	54.9 Å²	54.9	22%	0.223	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	22.2	178.7	-63.8	171.6	-177	68.6	-1.8	112.4	E321 V322 M323 Y419 L424 H438 I439	E321-R325 PolarHBondContact O-NH1 3.43Å; E321-R325 IonicContact OE2-CZ 3.24Å; E321-R325 IonicContact OE2-NH1 3.99Å; E321-R325 PolarHBondContact OE2-NH1 2.76Å; E321-R325 IonicContact OE2-NH2 2.79Å; E321-R325 PolarHBondContact OE2-NH2 3.02Å; V322-R325 CarbonylContact O-C 3.48Å; V322-R325 PolarHBondContact O-N 3.43Å; M323-R325 PolarHBondContact O-N 3.41Å; R325-Y419 PolarHBondContact NH2-OH 3.48Å; R325-L424 HydrophobicContact CB-CD1 3.8Å; R325-L424 HydrophobicContact CB-CD2 4.33Å; R325-L424 HydrophobicContact CB-CG 4.33Å; R325-H438 PolarHBondContact O-ND1 3.05Å; R325-I439 PolarHBondContact O-N 3.28Å
326	T	98.2	Very high	96.5	Very high	17 Å²	17	58.3 Å²	58.3	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118	174.7	-58.2	0	0	0	0	109.9	I315 V322 M323 I439 A441	I315-T326 HydrophobicContact CD1-CG2 4.08Å; I315-T326 HydrophobicContact CG2-CG2 4.05Å; V322-T326 PolarHBondContact O-N 2.89Å; V322-T326 PolarHBondContact O-OG1 3.17Å; M323-T326 PolarHBondContact O-N 2.8Å; T326-I439 CarbonylContact C-O 3.57Å; T326-I439 VanDerWaalsContact CA-O 3.29Å; T326-I439 WeakPolarHBondContact CA-O 3.14Å; T326-I439 HydrophobicContact CG2-CB 4.21Å; T326-I439 HydrophobicContact CG2-CG2 3.96Å; T326-A441 HydrophobicContact CG2-CB 4.4Å
327	T	98.4	Very high	96.7	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.1	170.2	-63.1	0	0	0	0	110.1	F329 D334 H438 I439 V440 A441	T327-F329 HydrophobicContact CG2-CB 4.41Å; T327-F329 HydrophobicContact CG2-CD2 4.19Å; T327-D334 HydrophobicContact CG2-CB 4.03Å; T327-H438 PolarHBondContact N-NE2 2.66Å; T327-H438 PolarHBondContact OG1-NE2 3.42Å; T327-I439 PolarHBondContact N-O 3.15Å; T327-V440 CarbonylContact O-C 3.56Å; T327-V440 WeakPolarHBondContact O-CA 3.44Å; T327-A441 PolarHBondContact O-N 3.25Å
328	V	97.3	Very high	96.9	Very high	35 Å²	35	46.8 Å²	46.8	21%	0.212	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	95.9	171.5	-178	0	0	0	0	107.2	P309 N311 R330 A441	P309-V328 HydrophobicContact CB-CG1 3.47Å; P309-V328 VanDerWaalsContact CB-CG1 3.47Å; P309-V328 HydrophobicContact CG-CG1 3.85Å; N311-V328 HydrophobicContact CB-CG2 4.4Å; V328-R330 PolarHBondContact O-N 3.29Å; V328-A441 HydrophobicContact CG2-CB 4.42Å
329	F	97.9	Very high	97	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	23%	0.227	C	C	.	.			trans	-77.3	119.3	-157.5	-163.4	-87.9	0	0	0	114.3	L220 W225 T327 D334 F335 L338 L356 L360 V440	L220-F329 HydrophobicContact CB-CE1 3.94Å; L220-F329 HydrophobicContact CB-CZ 4.26Å; L220-F329 WeakPolarHBondContact O-CZ 3.34Å; W225-F329 HydrophobicContact CZ2-CE2 4.16Å; W225-F329 HydrophobicContact CZ2-CZ 4.38Å; T327-F329 HydrophobicContact CG2-CB 4.41Å; T327-F329 HydrophobicContact CG2-CD2 4.19Å; F329-D334 HydrophobicContact CD2-CB 3.93Å; F329-D334 HydrophobicContact CE2-CB 4.26Å; F329-D334 HydrophobicContact CG-CB 4.33Å; F329-F335 HydrophobicContact CE2-CB 4.35Å; F329-F335 HydrophobicContact CZ-CB 4.02Å; F329-L338 HydrophobicContact CD2-CB 4.46Å; F329-L338 HydrophobicContact CD2-CD2 3.64Å; F329-L338 HydrophobicContact CE2-CB 4.24Å; F329-L338 HydrophobicContact CE2-CD2 3.72Å; F329-L356 HydrophobicContact CD1-CD1 4.14Å; F329-L360 HydrophobicContact CB-CD1 3.96Å; F329-L360 HydrophobicContact CD1-CD1 3.97Å; F329-L360 HydrophobicContact CD1-CD2 4.22Å; F329-L360 HydrophobicContact CD2-CD1 4.23Å; F329-L360 HydrophobicContact CD2-CD2 4.29Å; F329-L360 HydrophobicContact CE1-CD2 3.99Å; F329-L360 HydrophobicContact CE2-CD2 4.06Å; F329-L360 HydrophobicContact CG-CD1 3.79Å; F329-L360 HydrophobicContact CG-CD2 4.37Å; F329-L360 HydrophobicContact CZ-CD2 3.92Å; F329-V440 HydrophobicContact CB-CG1 4.22Å
330	R	97.1	Very high	97.2	Very high	54 Å²	54	50.4 Å²	50.4	20%	0.204	24%	0.239	C	C	.	.			trans	-153.7	-38.8	179.6	-175.2	57.6	177.3	154.4	-4.3	116.7	R217 L220 P309 V328 D334 D483	R217-R330 PolarHBondContact NH1-O 2.71Å; R217-R330 VanDerWaalsContact NH1-O 3.13Å; L220-R330 WeakPolarHBondContact CD1-O 3.48Å; P309-R330 HydrophobicContact CG-CB 3.58Å; P309-R330 HydrophobicContact CG-CG 3.9Å; V328-R330 PolarHBondContact O-N 3.29Å; R330-D334 WeakPolarHBondContact CA-OD2 3.22Å; R330-D334 PolarHBondContact N-OD2 3.38Å; R330-D483 IonicContact CZ-OD2 3.64Å; R330-D483 IonicContact NH2-OD2 3.77Å; R330-D483 PolarHBondContact NH2-OD2 3.35Å
331	K	97.8	Very high	97.3	Very high	62 Å²	62	45.7 Å²	45.7	27%	0.27	22%	0.219	S	C	.	.	S	Bend	trans	-113.1	171.3	-167.8	-61.2	-176.9	174.6	-170.3	0	111.7	D209 E210 Y215 D333 D334 F335	D209-K331 IonicContact OD2-NZ 3.68Å; E210-K331 HydrophobicContact CG-CD 3.9Å; E210-K331 WeakPolarHBondContact OE1-CE 3.48Å; E210-K331 IonicContact OE1-NZ 2.96Å; Y215-K331 WeakPolarHBondContact OH-CA 3.47Å; K331-D333 VanDerWaalsContact C-N 3.25Å; K331-D333 PolarHBondContact O-N 2.92Å; K331-D334 PolarHBondContact N-OD2 3.12Å; K331-D334 WeakPolarHBondContact O-CB 3.36Å; K331-D334 PolarHBondContact O-N 2.8Å; K331-D334 VanDerWaalsContact O-N 3.12Å; K331-F335 PolarHBondContact O-N 2.82Å
332	I	98.4	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.8	-41.7	174	-74.5	164.4	0	0	0	111.3	D212 Y215 L220 L236 I248 Y249 D334 F335 K336	D212-I332 HydrophobicContact CB-CD1 4.06Å; Y215-I332 HydrophobicContact CD1-CD1 3.58Å; Y215-I332 HydrophobicContact CD1-CG1 4.46Å; Y215-I332 HydrophobicContact CD2-CD1 3.89Å; Y215-I332 HydrophobicContact CD2-CG1 4.11Å; Y215-I332 HydrophobicContact CE1-CD1 3.63Å; Y215-I332 HydrophobicContact CE1-CG1 4.17Å; Y215-I332 HydrophobicContact CE2-CD1 3.94Å; Y215-I332 HydrophobicContact CE2-CG1 3.79Å; Y215-I332 HydrophobicContact CG-CD1 3.72Å; Y215-I332 HydrophobicContact CG-CG1 4.44Å; Y215-I332 PolarHBondContact OH-N 2.88Å; L220-I332 HydrophobicContact CD2-CG1 4.05Å; L236-I332 HydrophobicContact CD1-CB 4.5Å; L236-I332 HydrophobicContact CD1-CD1 3.76Å; L236-I332 HydrophobicContact CD1-CG1 4.08Å; L236-I332 HydrophobicContact CD1-CG2 3.59Å; L236-I332 HydrophobicContact CD2-CG2 4.19Å; I248-I332 HydrophobicContact CD1-CG1 4.3Å; Y249-I332 HydrophobicContact CE1-CD1 4.49Å; I332-D334 VanDerWaalsContact C-N 3.29Å; I332-D334 PolarHBondContact O-N 3.38Å; I332-F335 WeakPolarHBondContact O-CB 3.5Å; I332-F335 PolarHBondContact O-N 3.14Å; I332-F335 VanDerWaalsContact O-N 3.14Å; I332-K336 HydrophobicContact CG2-CD 3.98Å; I332-K336 HydrophobicContact CG2-CG 4.36Å; I332-K336 WeakPolarHBondContact O-CG 3.01Å; I332-K336 PolarHBondContact O-N 3.36Å
333	D	97.4	Very high	97	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-33.8	178.3	-72.6	-18.8	0	0	0	112.9	K331 K336 S337	K331-D333 VanDerWaalsContact C-N 3.25Å; K331-D333 PolarHBondContact O-N 2.92Å; D333-K336 PolarHBondContact O-N 2.79Å; D333-S337 VanDerWaalsContact O-CB 3.23Å; D333-S337 WeakPolarHBondContact O-CB 3.36Å; D333-S337 PolarHBondContact O-N 3.14Å; D333-S337 PolarHBondContact O-OG 2.64Å
334	D	98.1	Very high	96.9	Very high	36 Å²	36	50 Å²	50	19%	0.193	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-39.1	174.6	-57.3	-49	0	0	0	110.9	T327 F329 R330 K331 I332 S337 L338	T327-D334 HydrophobicContact CG2-CB 4.03Å; F329-D334 HydrophobicContact CD2-CB 3.93Å; F329-D334 HydrophobicContact CE2-CB 4.26Å; F329-D334 HydrophobicContact CG-CB 4.33Å; R330-D334 WeakPolarHBondContact CA-OD2 3.22Å; R330-D334 PolarHBondContact N-OD2 3.38Å; K331-D334 PolarHBondContact N-OD2 3.12Å; K331-D334 WeakPolarHBondContact O-CB 3.36Å; K331-D334 PolarHBondContact O-N 2.8Å; K331-D334 VanDerWaalsContact O-N 3.12Å; I332-D334 VanDerWaalsContact C-N 3.29Å; I332-D334 PolarHBondContact O-N 3.38Å; D334-S337 WeakPolarHBondContact CA-OG 3.36Å; D334-S337 PolarHBondContact O-OG 2.88Å; D334-S337 VanDerWaalsContact O-OG 3.14Å; D334-L338 WeakPolarHBondContact O-CB 3.48Å; D334-L338 PolarHBondContact O-N 3.34Å
335	F	98.4	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-55	172.3	165.4	-107.9	0	0	0	111	L220 L224 W225 T233 L236 F329 K331 I332 S337 L338 D339	L220-F335 HydrophobicContact CD2-CB 3.9Å; L220-F335 HydrophobicContact CD2-CG 4.31Å; L224-F335 HydrophobicContact CB-CD2 4.38Å; L224-F335 HydrophobicContact CB-CE1 4.32Å; L224-F335 HydrophobicContact CB-CE2 3.69Å; L224-F335 HydrophobicContact CB-CZ 3.66Å; L224-F335 HydrophobicContact CD1-CD1 4.33Å; L224-F335 HydrophobicContact CD1-CE1 4.21Å; L224-F335 HydrophobicContact CD1-CZ 4.37Å; L224-F335 HydrophobicContact CD2-CE1 4.4Å; L224-F335 HydrophobicContact CD2-CZ 4.38Å; L224-F335 HydrophobicContact CG-CZ 4.37Å; W225-F335 HydrophobicContact CD2-CD2 4.5Å; W225-F335 HydrophobicContact CD2-CE2 4.18Å; W225-F335 AromaticContact CE2-CD2 3.69Å; W225-F335 AromaticContact CE2-CE2 3.82Å; W225-F335 HydrophobicContact CG-CE2 4.44Å; W225-F335 AromaticContact CZ2-CD2 3.75Å; W225-F335 HydrophobicContact CZ2-CD2 3.75Å; W225-F335 HydrophobicContact CZ2-CE2 4.14Å; W225-F335 AromaticContact NE1-CD2 3.62Å; W225-F335 AromaticContact NE1-CE2 3.86Å; T233-F335 HydrophobicContact CG2-CE1 4.31Å; T233-F335 HydrophobicContact CG2-CZ 4.44Å; L236-F335 HydrophobicContact CD2-CD1 4.08Å; L236-F335 HydrophobicContact CD2-CE1 4.01Å; F329-F335 HydrophobicContact CE2-CB 4.35Å; F329-F335 HydrophobicContact CZ-CB 4.02Å; K331-F335 PolarHBondContact O-N 2.82Å; I332-F335 WeakPolarHBondContact O-CB 3.5Å; I332-F335 PolarHBondContact O-N 3.14Å; I332-F335 VanDerWaalsContact O-N 3.14Å; F335-S337 VanDerWaalsContact C-N 3.35Å; F335-S337 PolarHBondContact O-N 3.18Å; F335-L338 PolarHBondContact O-N 3.03Å; F335-D339 HydrophobicContact CE2-CB 4.34Å; F335-D339 WeakPolarHBondContact O-CB 3.41Å; F335-D339 PolarHBondContact O-N 3.21Å
336	K	97.8	Very high	96.8	Very high	73 Å²	73	48.5 Å²	48.5	32%	0.317	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-45.3	-179.5	-70	173.7	177.4	169.6	0	112.1	T233 I332 D333 K340	T233-K336 WeakPolarHBondContact O-CE 3.25Å; I332-K336 HydrophobicContact CG2-CD 3.98Å; I332-K336 HydrophobicContact CG2-CG 4.36Å; I332-K336 WeakPolarHBondContact O-CG 3.01Å; I332-K336 PolarHBondContact O-N 3.36Å; D333-K336 PolarHBondContact O-N 2.79Å; K336-K340 WeakPolarHBondContact O-CB 3.5Å; K336-K340 PolarHBondContact O-N 2.69Å
337	S	97.5	Very high	96.8	Very high	51 Å²	51	48 Å²	48	36%	0.357	24%	0.236	S	C	.	.	H	α-helix	trans	-67.6	-45.8	-179.9	61.4	0	0	0	0	112.1	D333 D334 F335 K340 V341	D333-S337 VanDerWaalsContact O-CB 3.23Å; D333-S337 WeakPolarHBondContact O-CB 3.36Å; D333-S337 PolarHBondContact O-N 3.14Å; D333-S337 PolarHBondContact O-OG 2.64Å; D334-S337 WeakPolarHBondContact CA-OG 3.36Å; D334-S337 PolarHBondContact O-OG 2.88Å; D334-S337 VanDerWaalsContact O-OG 3.14Å; F335-S337 VanDerWaalsContact C-N 3.35Å; F335-S337 PolarHBondContact O-N 3.18Å; S337-K340 WeakPolarHBondContact O-CB 3.47Å; S337-K340 PolarHBondContact O-N 2.72Å; S337-V341 WeakPolarHBondContact O-CG2 3.46Å; S337-V341 PolarHBondContact O-N 2.97Å
338	L	97.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-36.6	178.7	-174.2	60.2	0	0	0	111.9	W225 F329 D334 F335 K340 V341 S342 I348 L360 L364 V440	W225-L338 HydrophobicContact CH2-CB 4.08Å; W225-L338 HydrophobicContact CH2-CD2 4.07Å; W225-L338 HydrophobicContact CH2-CG 3.81Å; W225-L338 HydrophobicContact CZ2-CB 4.35Å; W225-L338 HydrophobicContact CZ2-CD2 4.03Å; W225-L338 HydrophobicContact CZ2-CG 4.22Å; F329-L338 HydrophobicContact CD2-CB 4.46Å; F329-L338 HydrophobicContact CD2-CD2 3.64Å; F329-L338 HydrophobicContact CE2-CB 4.24Å; F329-L338 HydrophobicContact CE2-CD2 3.72Å; D334-L338 WeakPolarHBondContact O-CB 3.48Å; D334-L338 PolarHBondContact O-N 3.34Å; F335-L338 PolarHBondContact O-N 3.03Å; L338-K340 VanDerWaalsContact C-N 3.35Å; L338-V341 PolarHBondContact O-N 3.37Å; L338-S342 WeakPolarHBondContact O-CB 3.37Å; L338-S342 PolarHBondContact O-N 3.45Å; L338-I348 HydrophobicContact CD1-CD1 4.26Å; L338-L360 HydrophobicContact CD2-CD2 4.42Å; L338-L364 HydrophobicContact CD2-CD1 4.46Å; L338-V440 HydrophobicContact CD1-CG2 3.5Å; L338-V440 HydrophobicContact CD2-CG2 3.8Å; L338-V440 HydrophobicContact CG-CG2 4.32Å
339	D	95.9	Very high	96.9	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-42.9	175.4	176.9	62.9	0	0	0	110.6	W225 T233 F335 S342 R343 R367	W225-D339 HydrophobicContact CH2-CB 3.93Å; W225-D339 HydrophobicContact CZ3-CB 4.14Å; T233-D339 WeakPolarHBondContact CG2-OD2 3.18Å; F335-D339 HydrophobicContact CE2-CB 4.34Å; F335-D339 WeakPolarHBondContact O-CB 3.41Å; F335-D339 PolarHBondContact O-N 3.21Å; D339-S342 PolarHBondContact O-N 2.82Å; D339-S342 PolarHBondContact O-OG 3.37Å; D339-R343 VanDerWaalsContact CG-NH2 3.3Å; D339-R343 PolarHBondContact O-N 2.84Å; D339-R343 PolarHBondContact O-NH1 3.39Å; D339-R343 IonicContact OD1-CZ 3.24Å; D339-R343 IonicContact OD1-NH1 3.05Å; D339-R343 PolarHBondContact OD1-NH1 2.58Å; D339-R343 IonicContact OD1-NH2 3.84Å; D339-R343 PolarHBondContact OD1-NH2 3.48Å; D339-R343 IonicContact OD2-CZ 2.57Å; D339-R343 IonicContact OD2-NH1 3.61Å; D339-R343 PolarHBondContact OD2-NH1 2.84Å; D339-R343 IonicContact OD2-NH2 3.3Å; D339-R343 PolarHBondContact OD2-NH2 3.5Å; D339-R367 IonicContact OD1-CZ 3.88Å; D339-R367 IonicContact OD1-NH1 2.72Å; D339-R367 PolarHBondContact OD1-NH1 3.46Å; D339-R367 IonicContact OD1-NH2 2.67Å; D339-R367 PolarHBondContact OD1-NH2 2.93Å
340	K	95.6	Very high	96.9	Very high	143 Å²	143	45.6 Å²	45.6	62%	0.622	22%	0.222	S	C	*	.	H	α-helix	trans	-60.1	-45.9	169.4	-176.5	179.4	-179.4	178.9	0	112.3	K336 S337 L338 S342 R343 N344	K336-K340 WeakPolarHBondContact O-CB 3.5Å; K336-K340 PolarHBondContact O-N 2.69Å; S337-K340 WeakPolarHBondContact O-CB 3.47Å; S337-K340 PolarHBondContact O-N 2.72Å; L338-K340 VanDerWaalsContact C-N 3.35Å; K340-S342 VanDerWaalsContact C-N 3.31Å; K340-S342 PolarHBondContact O-N 3.37Å; K340-R343 PolarHBondContact O-N 3.45Å; K340-N344 PolarHBondContact O-ND2 3.26Å
341	V	96.4	Very high	97	Very high	34 Å²	34	43.4 Å²	43.4	21%	0.206	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-44.2	177.4	170.6	0	0	0	0	110.6	S337 L338 R343 N344 A345 I348 H438	S337-V341 WeakPolarHBondContact O-CG2 3.46Å; S337-V341 PolarHBondContact O-N 2.97Å; L338-V341 PolarHBondContact O-N 3.37Å; V341-R343 PolarHBondContact O-N 3.41Å; V341-R343 VanDerWaalsContact O-N 3.15Å; V341-N344 PolarHBondContact O-N 3.29Å; V341-A345 HydrophobicContact CG1-CB 3.92Å; V341-A345 VanDerWaalsContact O-CB 3.26Å; V341-A345 WeakPolarHBondContact O-CB 3.43Å; V341-A345 PolarHBondContact O-N 2.85Å; V341-I348 HydrophobicContact CG1-CD1 3.91Å; V341-I348 HydrophobicContact CG1-CG1 4.18Å; V341-H438 HydrophobicContact CG1-CB 3.64Å
342	S	95	Very high	97	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-23	-178.1	75.9	0	0	0	0	114.5	L338 D339 K340 R367	L338-S342 WeakPolarHBondContact O-CB 3.37Å; L338-S342 PolarHBondContact O-N 3.45Å; D339-S342 PolarHBondContact O-N 2.82Å; D339-S342 PolarHBondContact O-OG 3.37Å; K340-S342 VanDerWaalsContact C-N 3.31Å; K340-S342 PolarHBondContact O-N 3.37Å; S342-R367 PolarHBondContact OG-NH1 2.84Å
343	R	92.3	Very high	97	Very high	122 Å²	122	41 Å²	41	46%	0.46	21%	0.207	S	C	.	.	H	α-helix	trans	-86.7	-18	175.3	-64.4	-166.7	-168.3	82.6	1.7	114.3	D339 K340 V341	D339-R343 VanDerWaalsContact CG-NH2 3.3Å; D339-R343 PolarHBondContact O-N 2.84Å; D339-R343 PolarHBondContact O-NH1 3.39Å; D339-R343 IonicContact OD1-CZ 3.24Å; D339-R343 IonicContact OD1-NH1 3.05Å; D339-R343 PolarHBondContact OD1-NH1 2.58Å; D339-R343 IonicContact OD1-NH2 3.84Å; D339-R343 PolarHBondContact OD1-NH2 3.48Å; D339-R343 IonicContact OD2-CZ 2.57Å; D339-R343 IonicContact OD2-NH1 3.61Å; D339-R343 PolarHBondContact OD2-NH1 2.84Å; D339-R343 IonicContact OD2-NH2 3.3Å; D339-R343 PolarHBondContact OD2-NH2 3.5Å; K340-R343 PolarHBondContact O-N 3.45Å; V341-R343 PolarHBondContact O-N 3.41Å; V341-R343 VanDerWaalsContact O-N 3.15Å
344	N	93.8	Very high	97	Very high	128 Å²	128	38.7 Å²	38.7	68%	0.684	20%	0.202	S	C	*	.	H	α-helix	trans	-117.9	-25	-170.1	-65.2	-67	0	0	0	113.5	K340 V341	K340-N344 PolarHBondContact O-ND2 3.26Å; V341-N344 PolarHBondContact O-N 3.29Å
345	A	95.6	Very high	97.1	Very high	22 Å²	22	38.3 Å²	38.3	18%	0.182	20%	0.199	C	C	.	.			trans	-82.8	155.7	179.2	0	0	0	0	0	111.7	V341 I348 L373 D437	V341-A345 HydrophobicContact CG1-CB 3.92Å; V341-A345 VanDerWaalsContact O-CB 3.26Å; V341-A345 WeakPolarHBondContact O-CB 3.43Å; V341-A345 PolarHBondContact O-N 2.85Å; A345-I348 HydrophobicContact CB-CG1 4.45Å; A345-L373 WeakPolarHBondContact O-CD1 3.4Å; A345-D437 HydrophobicContact CB-CB 3.92Å
346	Q	96.1	Very high	97.1	Very high	138 Å²	138	41.3 Å²	41.3	65%	0.645	22%	0.215	S	C	*	.	S	Bend	trans	-91.5	-23	172.6	-61.7	177.1	-28.9	0	0	111.9	E374 D437	Q346-E374 WeakPolarHBondContact O-CB 3.33Å; Q346-E374 PolarHBondContact O-N 3.49Å; Q346-D437 WeakPolarHBondContact CA-OD2 3.45Å; Q346-D437 WeakPolarHBondContact CB-OD2 3.41Å; Q346-D437 PolarHBondContact N-OD2 3.4Å
347	S	98.1	Very high	97.1	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	125.1	-172.5	53.5	0	0	0	0	113.4	E374 T436 D437 H438	S347-E374 CarbonylContact C-O 3.45Å; S347-E374 VanDerWaalsContact CA-O 3.26Å; S347-E374 WeakPolarHBondContact CA-O 3.38Å; S347-T436 VanDerWaalsContact C-OG1 3.3Å; S347-T436 PolarHBondContact O-OG1 3.27Å; S347-T436 VanDerWaalsContact OG-CA 3.27Å; S347-T436 WeakPolarHBondContact OG-CA 3.3Å; S347-D437 PolarHBondContact N-OD2 2.84Å; S347-D437 WeakPolarHBondContact O-CB 3.42Å; S347-D437 PolarHBondContact O-N 3.18Å; S347-D437 PolarHBondContact OG-N 2.81Å; S347-D437 PolarHBondContact OG-OD2 2.9Å; S347-H438 PolarHBondContact O-N 3.09Å
348	I	98.7	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.6	173.9	-63.3	173.7	0	0	0	109.7	L338 V341 A345 L364 L373 E374 V375 I376 H438 V440	L338-I348 HydrophobicContact CD1-CD1 4.26Å; V341-I348 HydrophobicContact CG1-CD1 3.91Å; V341-I348 HydrophobicContact CG1-CG1 4.18Å; A345-I348 HydrophobicContact CB-CG1 4.45Å; I348-L364 HydrophobicContact CD1-CD1 4.28Å; I348-L364 HydrophobicContact CD1-CD2 4.46Å; I348-L364 HydrophobicContact CG2-CD1 4.05Å; I348-L373 HydrophobicContact CD1-CD1 4.26Å; I348-L373 HydrophobicContact CD1-CD2 4.15Å; I348-L373 HydrophobicContact CG1-CD1 4.11Å; I348-E374 PolarHBondContact N-O 3.06Å; I348-V375 WeakPolarHBondContact O-CA 3.12Å; I348-I376 PolarHBondContact O-N 2.93Å; I348-H438 WeakPolarHBondContact CA-O 3.47Å; I348-H438 HydrophobicContact CG1-CB 4.34Å; I348-V440 HydrophobicContact CG2-CG2 3.95Å
349	T	98.8	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118	173.9	-62.5	0	0	0	0	111.6	I351 I376 M378 I426 T436 H438 I439 V440	T349-I351 HydrophobicContact CG2-CG1 4.24Å; T349-I376 CarbonylContact C-O 3.55Å; T349-I376 WeakPolarHBondContact CA-O 3.35Å; T349-I376 HydrophobicContact CG2-CB 4.32Å; T349-I376 HydrophobicContact CG2-CG2 4.3Å; T349-M378 HydrophobicContact CG2-CE 3.47Å; T349-M378 VanDerWaalsContact CG2-CE 3.47Å; T349-M378 HydrophobicContact CG2-CG 4.11Å; T349-M378 HydrophobicContact CG2-SD 4.07Å; T349-I426 HydrophobicContact CG2-CD1 3.69Å; T349-T436 PolarHBondContact N-OG1 3.18Å; T349-T436 WeakPolarHBondContact OG1-CB 3.06Å; T349-T436 WeakPolarHBondContact OG1-CG2 2.84Å; T349-T436 PolarHBondContact OG1-OG1 2.98Å; T349-H438 PolarHBondContact N-O 2.93Å; T349-I439 CarbonylContact O-C 3.15Å; T349-I439 VanDerWaalsContact O-CA 3.26Å; T349-I439 WeakPolarHBondContact O-CA 3.29Å; T349-V440 PolarHBondContact O-N 3.03Å
350	I	98.9	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.4	170.5	-57.4	161.9	0	0	0	108.9	L360 A361 L364 V375 I376 Q377 M378 V440	I350-L360 HydrophobicContact CD1-CB 4.12Å; I350-A361 HydrophobicContact CD1-CB 3.72Å; I350-L364 HydrophobicContact CD1-CD1 4.25Å; I350-V375 HydrophobicContact CD1-CG1 4.23Å; I350-I376 PolarHBondContact N-O 2.57Å; I350-Q377 HydrophobicContact CB-CG 4.22Å; I350-Q377 HydrophobicContact CG2-CG 4.27Å; I350-Q377 CarbonylContact O-C 3.55Å; I350-Q377 WeakPolarHBondContact O-CA 3.17Å; I350-M378 PolarHBondContact O-N 2.95Å; I350-V440 CarbonylContact C-O 3.51Å; I350-V440 WeakPolarHBondContact CA-O 3.23Å; I350-V440 HydrophobicContact CG1-CB 4.16Å
351	I	98.7	Very high	97.5	Very high	8 Å²	8	29 Å²	29	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.8	172.5	-51.8	170.2	0	0	0	108.7	L312 I315 T349 M378 V414 I426 I439 V440 A442 V443	L312-I351 HydrophobicContact CD1-CB 4.24Å; L312-I351 HydrophobicContact CD1-CD1 3.99Å; L312-I351 HydrophobicContact CD1-CG2 3.59Å; I315-I351 HydrophobicContact CD1-CD1 4.14Å; T349-I351 HydrophobicContact CG2-CG1 4.24Å; I351-M378 WeakPolarHBondContact CA-O 3.47Å; I351-M378 HydrophobicContact CB-CG 4.45Å; I351-M378 HydrophobicContact CG1-CG 3.97Å; I351-M378 HydrophobicContact CG1-SD 4.19Å; I351-M378 HydrophobicContact CG2-CG 4.39Å; I351-V414 HydrophobicContact CD1-CG2 4.32Å; I351-V414 HydrophobicContact CG2-CG2 4.25Å; I351-I426 HydrophobicContact CD1-CD1 4.49Å; I351-I439 HydrophobicContact CD1-CD1 4.46Å; I351-I439 HydrophobicContact CD1-CG2 3.64Å; I351-I439 HydrophobicContact CG1-CG2 4.08Å; I351-V440 PolarHBondContact N-O 2.65Å; I351-A442 PolarHBondContact O-N 2.81Å; I351-V443 HydrophobicContact CG2-CG1 4.49Å; I351-V443 WeakPolarHBondContact O-CG1 3.49Å
352	G	98.3	Very high	97.6	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	15%	0.146	C	C	.	.			trans	132.9	124.3	-177.3	0	0	0	0	0	112.3	Q377 M378	G352-Q377 PolarHBondContact O-NE2 3.38Å; G352-M378 PolarHBondContact N-O 2.82Å
353	G	98.2	Very high	97.6	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	15%	0.145	C	C	.	.			trans	-95	8.2	179.3	0	0	0	0	0	114.1	S358 M385	G353-S358 PolarHBondContact O-OG 2.87Å; G353-M385 WeakPolarHBondContact O-CA 3.43Å; G353-M385 PolarHBondContact O-N 2.74Å
354	G	98.4	Very high	97.8	Very high	33 Å²	33	21.6 Å²	21.6	34%	0.34	12%	0.123	S	C	.	.	S	Bend	trans	-70.2	-178.9	179.6	0	0	0	0	0	113.2	G357 S358	G354-G357 PolarHBondContact O-N 3.39Å; G354-S358 WeakPolarHBondContact O-CB 3.48Å; G354-S358 PolarHBondContact O-N 2.99Å; G354-S358 PolarHBondContact O-OG 2.76Å
355	F	98.5	Very high	97.8	Very high	29 Å²	29	15.5 Å²	15.5	13%	0.127	9%	0.091	C	C	.	.	H	α-helix	trans	-55.9	-54.5	178.5	-70	-75.8	0	0	0	111.9	G357 S358 E359 M385 V388 F527 S529 Y537	F355-G357 PolarHBondContact O-N 2.9Å; F355-S358 PolarHBondContact O-N 2.97Å; F355-E359 WeakPolarHBondContact O-CG 3.48Å; F355-E359 PolarHBondContact O-N 2.84Å; F355-M385 HydrophobicContact CD1-CE 4.15Å; F355-M385 HydrophobicContact CD1-CG 3.76Å; F355-M385 HydrophobicContact CD1-SD 4.23Å; F355-M385 HydrophobicContact CD2-CG 4.04Å; F355-M385 HydrophobicContact CE1-CE 4.15Å; F355-M385 HydrophobicContact CE1-CG 3.84Å; F355-M385 HydrophobicContact CE2-CG 4.11Å; F355-M385 HydrophobicContact CG-CG 3.87Å; F355-M385 HydrophobicContact CZ-CB 4.49Å; F355-M385 HydrophobicContact CZ-CG 4.01Å; F355-V388 HydrophobicContact CE2-CB 4.43Å; F355-V388 HydrophobicContact CE2-CG1 4.11Å; F355-V388 HydrophobicContact CE2-CG2 4.36Å; F355-V388 HydrophobicContact CZ-CG1 4.22Å; F355-F527 HydrophobicContact CB-CE1 4.34Å; F355-F527 HydrophobicContact CB-CZ 3.79Å; F355-F527 AromaticContact CD1-CE1 3.89Å; F355-F527 HydrophobicContact CD1-CE1 3.89Å; F355-F527 HydrophobicContact CD1-CZ 4.2Å; F355-F527 AromaticContact CD2-CE1 3.56Å; F355-F527 HydrophobicContact CD2-CE1 3.56Å; F355-F527 AromaticContact CD2-CZ 3.64Å; F355-F527 HydrophobicContact CD2-CZ 3.64Å; F355-F527 HydrophobicContact CE1-CE1 4Å; F355-F527 HydrophobicContact CE2-CD1 4.41Å; F355-F527 AromaticContact CE2-CE1 3.68Å; F355-F527 HydrophobicContact CE2-CE1 3.68Å; F355-F527 HydrophobicContact CE2-CZ 4.24Å; F355-F527 AromaticContact CG-CE1 3.67Å; F355-F527 HydrophobicContact CG-CE1 3.67Å; F355-F527 AromaticContact CG-CZ 3.62Å; F355-F527 HydrophobicContact CG-CZ 3.62Å; F355-F527 AromaticContact CZ-CE1 3.91Å; F355-F527 HydrophobicContact CZ-CE1 3.91Å; F355-S529 VanDerWaalsContact CD1-CB 3.43Å; F355-S529 WeakPolarHBondContact CD1-OG 3.3Å; F355-Y537 HydrophobicContact CE1-CD2 4.24Å; F355-Y537 HydrophobicContact CE1-CG 4.16Å
356	L	98.5	Very high	97.4	Very high	63 Å²	63	18.9 Å²	18.9	33%	0.33	10%	0.099	S	C	.	.	H	α-helix	trans	-55.6	-46.1	178.4	176.9	62.5	0	0	0	112.9	F329 S358 E359 L360 A442	F329-L356 HydrophobicContact CD1-CD1 4.14Å; L356-S358 VanDerWaalsContact C-N 3.28Å; L356-S358 PolarHBondContact O-N 2.89Å; L356-E359 PolarHBondContact O-N 2.79Å; L356-L360 HydrophobicContact CD1-CD1 4.1Å; L356-L360 HydrophobicContact CD1-CG 4.28Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 WeakPolarHBondContact O-CG 3.3Å; L356-L360 PolarHBondContact O-N 2.83Å; L356-A442 HydrophobicContact CD2-CB 4.46Å; L356-A442 HydrophobicContact CG-CB 4.43Å
357	G	98.5	Very high	96.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-35.5	178.5	0	0	0	0	0	112.5	G354 F355 A361 Q377	G354-G357 PolarHBondContact O-N 3.39Å; F355-G357 PolarHBondContact O-N 2.9Å; G357-A361 VanDerWaalsContact O-CB 3.31Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3Å; G357-Q377 PolarHBondContact O-NE2 3.1Å
358	S	98.8	Very high	95.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-78.2	-34.3	179.2	-52.9	0	0	0	0	112.7	G353 G354 F355 L356 A361 C362 Q377 N384 M385	G353-S358 PolarHBondContact O-OG 2.87Å; G354-S358 WeakPolarHBondContact O-CB 3.48Å; G354-S358 PolarHBondContact O-N 2.99Å; G354-S358 PolarHBondContact O-OG 2.76Å; F355-S358 PolarHBondContact O-N 2.97Å; L356-S358 VanDerWaalsContact C-N 3.28Å; L356-S358 PolarHBondContact O-N 2.89Å; S358-A361 PolarHBondContact O-N 2.92Å; S358-C362 PolarHBondContact O-N 3.21Å; S358-C362 PolarHBondContact O-SG 2.97Å; S358-Q377 PolarHBondContact OG-NE2 3.3Å; S358-N384 PolarHBondContact OG-ND2 3.13Å; S358-M385 PolarHBondContact OG-SD 3.38Å
359	E	98.7	Very high	94.9	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-51.9	170	-72.2	177.1	178.8	0	0	110.2	S221 K222 F355 L356 A361 C362 A363 S529 L531	S221-E359 WeakPolarHBondContact CB-OE2 3.21Å; S221-E359 PolarHBondContact OG-OE2 2.82Å; K222-E359 WeakPolarHBondContact CE-OE1 3.47Å; K222-E359 IonicContact NZ-OE1 3.19Å; K222-E359 PolarHBondContact NZ-OE1 2.99Å; K222-E359 IonicContact NZ-OE2 3.94Å; K222-E359 PolarHBondContact NZ-OE2 3.04Å; F355-E359 WeakPolarHBondContact O-CG 3.48Å; F355-E359 PolarHBondContact O-N 2.84Å; L356-E359 PolarHBondContact O-N 2.79Å; E359-A361 VanDerWaalsContact C-N 3.3Å; E359-A361 PolarHBondContact O-N 2.91Å; E359-C362 PolarHBondContact O-N 2.69Å; E359-A363 WeakPolarHBondContact O-CB 3.42Å; E359-A363 PolarHBondContact O-N 2.8Å; E359-S529 WeakPolarHBondContact OE1-CA 3.35Å; E359-S529 WeakPolarHBondContact OE1-CB 3.33Å; E359-S529 PolarHBondContact OE1-OG 3.05Å; E359-L531 HydrophobicContact CB-CD2 4.44Å; E359-L531 HydrophobicContact CG-CD2 3.85Å
360	L	98.6	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-36.6	176.3	-69	172	0	0	0	112.3	W225 F329 L338 I350 L356 A363 L364 V440	W225-L360 HydrophobicContact CZ2-CD2 4.48Å; F329-L360 HydrophobicContact CB-CD1 3.96Å; F329-L360 HydrophobicContact CD1-CD1 3.97Å; F329-L360 HydrophobicContact CD1-CD2 4.22Å; F329-L360 HydrophobicContact CD2-CD1 4.23Å; F329-L360 HydrophobicContact CD2-CD2 4.29Å; F329-L360 HydrophobicContact CE1-CD2 3.99Å; F329-L360 HydrophobicContact CE2-CD2 4.06Å; F329-L360 HydrophobicContact CG-CD1 3.79Å; F329-L360 HydrophobicContact CG-CD2 4.37Å; F329-L360 HydrophobicContact CZ-CD2 3.92Å; L338-L360 HydrophobicContact CD2-CD2 4.42Å; I350-L360 HydrophobicContact CD1-CB 4.12Å; L356-L360 HydrophobicContact CD1-CD1 4.1Å; L356-L360 HydrophobicContact CD1-CG 4.28Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 WeakPolarHBondContact O-CG 3.3Å; L356-L360 PolarHBondContact O-N 2.83Å; L360-A363 PolarHBondContact O-N 2.89Å; L360-L364 WeakPolarHBondContact O-CB 3.33Å; L360-L364 WeakPolarHBondContact O-CG 3.23Å; L360-L364 PolarHBondContact O-N 2.85Å; L360-V440 HydrophobicContact CD1-CG1 4.01Å
361	A	98.5	Very high	93.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-43.9	175.4	0	0	0	0	0	111.4	I350 G357 S358 E359 G365 Q377 V401 V406	I350-A361 HydrophobicContact CD1-CB 3.72Å; G357-A361 VanDerWaalsContact O-CB 3.31Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3Å; S358-A361 PolarHBondContact O-N 2.92Å; E359-A361 VanDerWaalsContact C-N 3.3Å; E359-A361 PolarHBondContact O-N 2.91Å; A361-G365 WeakPolarHBondContact O-CA 3.49Å; A361-G365 PolarHBondContact O-N 3.21Å; A361-Q377 HydrophobicContact CB-CB 4.31Å; A361-Q377 HydrophobicContact CB-CG 4.39Å; A361-V401 HydrophobicContact CB-CG1 3.92Å; A361-V406 HydrophobicContact CB-CG1 4.35Å; A361-V406 HydrophobicContact CB-CG2 4.27Å; A361-V406 WeakPolarHBondContact O-CG2 3.4Å
362	C	97.9	Very high	92.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-43.8	176.5	-61.6	0	0	0	0	111.8	S358 E359 G365 R366 K400 E404	S358-C362 PolarHBondContact O-N 3.21Å; S358-C362 PolarHBondContact O-SG 2.97Å; E359-C362 PolarHBondContact O-N 2.69Å; C362-G365 PolarHBondContact O-N 3.48Å; C362-R366 PolarHBondContact O-N 3.32Å; C362-K400 PolarHBondContact SG-NZ 3.45Å; C362-E404 HydrophobicContact CB-CG 4.21Å
363	A	96	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-48.5	178.6	0	0	0	0	0	112.4	W225 E359 L360	W225-A363 HydrophobicContact CB-CB 3.61Å; W225-A363 HydrophobicContact CD2-CB 4.12Å; W225-A363 HydrophobicContact CG-CB 3.64Å; E359-A363 WeakPolarHBondContact O-CB 3.42Å; E359-A363 PolarHBondContact O-N 2.8Å; L360-A363 PolarHBondContact O-N 2.89Å
364	L	96.4	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.8	-34.2	177.3	-66.1	175.2	0	0	0	112.1	W225 L338 I348 I350 L360 R366 R367 S368 V375	W225-L364 HydrophobicContact CE3-CD2 4.02Å; W225-L364 HydrophobicContact CH2-CD2 3.89Å; W225-L364 HydrophobicContact CZ3-CD2 3.43Å; W225-L364 VanDerWaalsContact CZ3-CD2 3.43Å; W225-L364 HydrophobicContact CZ3-CG 4.5Å; L338-L364 HydrophobicContact CD2-CD1 4.46Å; I348-L364 HydrophobicContact CD1-CD1 4.28Å; I348-L364 HydrophobicContact CD1-CD2 4.46Å; I348-L364 HydrophobicContact CG2-CD1 4.05Å; I350-L364 HydrophobicContact CD1-CD1 4.25Å; L360-L364 WeakPolarHBondContact O-CB 3.33Å; L360-L364 WeakPolarHBondContact O-CG 3.23Å; L360-L364 PolarHBondContact O-N 2.85Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.82Å; L364-R367 WeakPolarHBondContact O-CB 3.42Å; L364-R367 PolarHBondContact O-N 3.08Å; L364-R367 VanDerWaalsContact O-N 3.12Å; L364-S368 PolarHBondContact O-N 3.22Å; L364-V375 HydrophobicContact CB-CG1 4.1Å; L364-V375 HydrophobicContact CB-CG2 3.79Å
365	G	93.9	Very high	92.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-42.6	177.1	0	0	0	0	0	112	A361 C362 R367 S368 T369 E404	A361-G365 WeakPolarHBondContact O-CA 3.49Å; A361-G365 PolarHBondContact O-N 3.21Å; C362-G365 PolarHBondContact O-N 3.48Å; G365-R367 VanDerWaalsContact C-N 3.29Å; G365-R367 PolarHBondContact O-N 2.9Å; G365-S368 WeakPolarHBondContact O-CA 3.19Å; G365-S368 WeakPolarHBondContact O-CB 3.31Å; G365-S368 PolarHBondContact O-N 2.84Å; G365-T369 PolarHBondContact O-N 2.8Å; G365-E404 CarbonylContact C-O 3.54Å; G365-E404 WeakPolarHBondContact CA-O 3.31Å
366	R	86.9	Confident	92.5	Very high	93 Å²	93	31.3 Å²	31.3	35%	0.351	18%	0.18	S	C	.	.	H	α-helix	trans	-53.2	-47.1	171.9	-175.8	-179.7	175.8	128.8	-5	111.9	C362 L364 S368 T369 E370	C362-R366 PolarHBondContact O-N 3.32Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.82Å; R366-S368 VanDerWaalsContact C-N 3.27Å; R366-S368 PolarHBondContact O-N 3.03Å; R366-T369 PolarHBondContact O-N 2.82Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R366-T369 PolarHBondContact O-OG1 2.84Å; R366-E370 IonicContact NE-OE1 2.88Å
367	R	81.4	Confident	92.5	Very high	25 Å²	25	28.3 Å²	28.3	9%	0.094	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-29	175.5	-67.5	-169.9	173.4	-169	2	113.5	D339 S342 L364 G365 T369 E370 S371	D339-R367 IonicContact OD1-CZ 3.88Å; D339-R367 IonicContact OD1-NH1 2.72Å; D339-R367 PolarHBondContact OD1-NH1 3.46Å; D339-R367 IonicContact OD1-NH2 2.67Å; D339-R367 PolarHBondContact OD1-NH2 2.93Å; S342-R367 PolarHBondContact OG-NH1 2.84Å; L364-R367 WeakPolarHBondContact O-CB 3.42Å; L364-R367 PolarHBondContact O-N 3.08Å; L364-R367 VanDerWaalsContact O-N 3.12Å; G365-R367 VanDerWaalsContact C-N 3.29Å; G365-R367 PolarHBondContact O-N 2.9Å; R367-T369 PolarHBondContact O-N 3.48Å; R367-E370 PolarHBondContact O-N 3.19Å; R367-E370 VanDerWaalsContact O-N 3.15Å; R367-S371 WeakPolarHBondContact O-CB 3.4Å; R367-S371 PolarHBondContact O-N 3.26Å; R367-S371 PolarHBondContact O-OG 2.93Å
368	S	80.8	Confident	92.6	Very high	25 Å²	25	28.3 Å²	28.3	18%	0.175	16%	0.164	C	C	.	.	H	α-helix	trans	-54	-43.3	172.9	-172.7	0	0	0	0	111.3	L364 G365 R366 E370 G372 L373	L364-S368 PolarHBondContact O-N 3.22Å; G365-S368 WeakPolarHBondContact O-CA 3.19Å; G365-S368 WeakPolarHBondContact O-CB 3.31Å; G365-S368 PolarHBondContact O-N 2.84Å; R366-S368 VanDerWaalsContact C-N 3.27Å; R366-S368 PolarHBondContact O-N 3.03Å; S368-E370 VanDerWaalsContact C-N 3.25Å; S368-E370 PolarHBondContact O-N 2.99Å; S368-G372 WeakPolarHBondContact O-CA 3.41Å; S368-G372 PolarHBondContact O-N 2.6Å; S368-L373 WeakPolarHBondContact CA-O 3.4Å; S368-L373 WeakPolarHBondContact CB-O 3.17Å; S368-L373 PolarHBondContact OG-O 3.1Å
369	T	77.6	Confident	92.5	Very high	103 Å²	103	28.3 Å²	28.3	63%	0.632	16%	0.164	S	C	*	.	H	α-helix	trans	-68.4	-24.2	-178.4	68.8	0	0	0	0	113.5	G365 R366 R367	G365-T369 PolarHBondContact O-N 2.8Å; R366-T369 PolarHBondContact O-N 2.82Å; R366-T369 VanDerWaalsContact O-N 3.15Å; R366-T369 PolarHBondContact O-OG1 2.84Å; R367-T369 PolarHBondContact O-N 3.48Å
370	E	80.4	Confident	92.5	Very high	120 Å²	120	31.3 Å²	31.3	56%	0.561	18%	0.184	S	C	*	.	H	α-helix	trans	-97.1	-33.7	-177.5	-65	166.4	-171.9	0	0	112.9	R366 R367 S368	R366-E370 IonicContact NE-OE1 2.88Å; R367-E370 PolarHBondContact O-N 3.19Å; R367-E370 VanDerWaalsContact O-N 3.15Å; S368-E370 VanDerWaalsContact C-N 3.25Å; S368-E370 PolarHBondContact O-N 2.99Å
371	S	83.4	Confident	92.5	Very high	77 Å²	77	33 Å²	33	54%	0.538	19%	0.192	S	C	.	.	H	α-helix	trans	-120.9	-4.8	-167.5	65.7	0	0	0	0	115.2	R367 L373	R367-S371 WeakPolarHBondContact O-CB 3.4Å; R367-S371 PolarHBondContact O-N 3.26Å; R367-S371 PolarHBondContact O-OG 2.93Å; S371-L373 PolarHBondContact O-N 3.36Å
372	G	85.9	Confident	92.5	Very high	66 Å²	66	38.8 Å²	38.8	68%	0.68	22%	0.217	S	C	*	.			trans	74.4	7.1	-177.4	0	0	0	0	0	114.9	S368 E374	S368-G372 WeakPolarHBondContact O-CA 3.41Å; S368-G372 PolarHBondContact O-N 2.6Å; G372-E374 PolarHBondContact O-N 2.9Å
373	L	95.8	Very high	92.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.216	C	C	.	.			trans	-57.9	124.8	172.5	171.6	66.5	0	0	0	110.8	A345 I348 S368 S371 V375	A345-L373 WeakPolarHBondContact O-CD1 3.4Å; I348-L373 HydrophobicContact CD1-CD1 4.26Å; I348-L373 HydrophobicContact CD1-CD2 4.15Å; I348-L373 HydrophobicContact CG1-CD1 4.11Å; S368-L373 WeakPolarHBondContact CA-O 3.4Å; S368-L373 WeakPolarHBondContact CB-O 3.17Å; S368-L373 PolarHBondContact OG-O 3.1Å; S371-L373 PolarHBondContact O-N 3.36Å; L373-V375 HydrophobicContact CD2-CG2 3.99Å; L373-V375 HydrophobicContact CG-CG2 4.02Å
374	E	97.8	Very high	92.7	Very high	61 Å²	61	38.7 Å²	38.7	29%	0.285	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.1	170.3	-177	179.6	-123.5	0	0	110.6	Q346 S347 I348 G372 I376 K407	Q346-E374 WeakPolarHBondContact O-CB 3.33Å; Q346-E374 PolarHBondContact O-N 3.49Å; S347-E374 CarbonylContact C-O 3.45Å; S347-E374 VanDerWaalsContact CA-O 3.26Å; S347-E374 WeakPolarHBondContact CA-O 3.38Å; I348-E374 PolarHBondContact N-O 3.06Å; G372-E374 PolarHBondContact O-N 2.9Å; E374-I376 HydrophobicContact CG-CD1 4.46Å; E374-I376 HydrophobicContact CG-CG1 4.11Å; E374-K407 HydrophobicContact CG-CD 4.23Å; E374-K407 WeakPolarHBondContact OE1-CD 3.46Å; E374-K407 WeakPolarHBondContact OE1-CE 3.44Å; E374-K407 IonicContact OE1-NZ 2.83Å; E374-K407 PolarHBondContact OE1-NZ 2.94Å
375	V	98.5	Very high	92.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.6	174.1	-174.2	0	0	0	0	109.4	I348 I350 L364 L373 V406 K407	I348-V375 WeakPolarHBondContact O-CA 3.12Å; I350-V375 HydrophobicContact CD1-CG1 4.23Å; L364-V375 HydrophobicContact CB-CG1 4.1Å; L364-V375 HydrophobicContact CB-CG2 3.79Å; L373-V375 HydrophobicContact CD2-CG2 3.99Å; L373-V375 HydrophobicContact CG-CG2 4.02Å; V375-V406 HydrophobicContact CB-CG2 4.34Å; V375-V406 HydrophobicContact CG1-CG1 4.12Å; V375-V406 HydrophobicContact CG1-CG2 4.14Å; V375-K407 PolarHBondContact O-N 2.87Å
376	I	98.8	Very high	93	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.1	177.1	-54.8	175.2	0	0	0	107.7	I348 T349 I350 E374 M378 K407 I409 V434	I348-I376 PolarHBondContact O-N 2.93Å; T349-I376 CarbonylContact C-O 3.55Å; T349-I376 WeakPolarHBondContact CA-O 3.35Å; T349-I376 HydrophobicContact CG2-CB 4.32Å; T349-I376 HydrophobicContact CG2-CG2 4.3Å; I350-I376 PolarHBondContact N-O 2.57Å; E374-I376 HydrophobicContact CG-CD1 4.46Å; E374-I376 HydrophobicContact CG-CG1 4.11Å; I376-M378 HydrophobicContact CG2-CE 4.15Å; I376-K407 CarbonylContact C-O 3.5Å; I376-K407 VanDerWaalsContact CA-O 3.31Å; I376-K407 WeakPolarHBondContact CA-O 3.41Å; I376-K407 HydrophobicContact CG1-CB 4.24Å; I376-I409 HydrophobicContact CG2-CD1 3.66Å; I376-I409 HydrophobicContact CG2-CG1 4.02Å; I376-V434 HydrophobicContact CD1-CG1 3.52Å
377	Q	98.9	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.5	167.2	-168.4	-174.1	15.6	0	0	108.9	I350 G352 G357 S358 A361 F379 N384 V406 K407 V408 I409	I350-Q377 HydrophobicContact CB-CG 4.22Å; I350-Q377 HydrophobicContact CG2-CG 4.27Å; I350-Q377 CarbonylContact O-C 3.55Å; I350-Q377 WeakPolarHBondContact O-CA 3.17Å; G352-Q377 PolarHBondContact O-NE2 3.38Å; G357-Q377 PolarHBondContact O-NE2 3.1Å; S358-Q377 PolarHBondContact OG-NE2 3.3Å; A361-Q377 HydrophobicContact CB-CB 4.31Å; A361-Q377 HydrophobicContact CB-CG 4.39Å; Q377-F379 HydrophobicContact CG-CD1 4.01Å; Q377-F379 HydrophobicContact CG-CE1 4.01Å; Q377-N384 PolarHBondContact NE2-ND2 2.57Å; Q377-N384 PolarHBondContact OE1-ND2 3.47Å; Q377-V406 HydrophobicContact CB-CG1 3.92Å; Q377-K407 PolarHBondContact N-O 3.23Å; Q377-V408 CarbonylContact O-C 3.52Å; Q377-V408 WeakPolarHBondContact O-CA 3.44Å; Q377-I409 PolarHBondContact O-N 3.47Å
378	M	98.6	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.7	179.1	69.5	175.5	59.7	0	0	112.9	T349 I350 I351 G352 I376 I409 A412 V414 I426 L428 V434	T349-M378 HydrophobicContact CG2-CE 3.47Å; T349-M378 VanDerWaalsContact CG2-CE 3.47Å; T349-M378 HydrophobicContact CG2-CG 4.11Å; T349-M378 HydrophobicContact CG2-SD 4.07Å; I350-M378 PolarHBondContact O-N 2.95Å; I351-M378 WeakPolarHBondContact CA-O 3.47Å; I351-M378 HydrophobicContact CB-CG 4.45Å; I351-M378 HydrophobicContact CG1-CG 3.97Å; I351-M378 HydrophobicContact CG1-SD 4.19Å; I351-M378 HydrophobicContact CG2-CG 4.39Å; G352-M378 PolarHBondContact N-O 2.82Å; I376-M378 HydrophobicContact CG2-CE 4.15Å; M378-I409 VanDerWaalsContact CA-O 3.3Å; M378-I409 WeakPolarHBondContact CA-O 3.39Å; M378-I409 HydrophobicContact CB-CB 3.99Å; M378-I409 HydrophobicContact CE-CD1 4.23Å; M378-A412 HydrophobicContact CB-CB 3.93Å; M378-V414 HydrophobicContact SD-CG2 4.15Å; M378-I426 HydrophobicContact CE-CD1 4.17Å; M378-I426 HydrophobicContact SD-CD1 4.36Å; M378-I426 HydrophobicContact SD-CG2 4.05Å; M378-L428 HydrophobicContact SD-CD2 4.09Å; M378-V434 HydrophobicContact CE-CB 3.94Å; M378-V434 HydrophobicContact CE-CG1 3.94Å; M378-V434 HydrophobicContact CE-CG2 3.74Å
379	F	98.6	Very high	95.1	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.237	C	C	.	.			trans	-164.4	156.6	-178.1	45.6	-101.4	0	0	0	111.6	Q377 E381 G383 N384 V408 I409 R410 E411 A412	Q377-F379 HydrophobicContact CG-CD1 4.01Å; Q377-F379 HydrophobicContact CG-CE1 4.01Å; F379-E381 VanDerWaalsContact C-N 3.35Å; F379-E381 HydrophobicContact CD2-CB 4.15Å; F379-E381 WeakPolarHBondContact CD2-O 3.41Å; F379-G383 VanDerWaalsContact CE2-C 3.4Å; F379-N384 WeakPolarHBondContact CZ-OD1 3.26Å; F379-V408 HydrophobicContact CE1-CG1 3.71Å; F379-V408 HydrophobicContact CZ-CG1 3.56Å; F379-I409 PolarHBondContact N-O 3.2Å; F379-R410 HydrophobicContact CE2-CB 4.37Å; F379-R410 HydrophobicContact CE2-CG 4.2Å; F379-R410 HydrophobicContact CZ-CG 4.38Å; F379-R410 CarbonylContact O-C 3.51Å; F379-E411 PolarHBondContact O-N 3.07Å; F379-A412 CarbonylContact C-O 3.55Å; F379-A412 PolarHBondContact O-N 3.45Å
380	P	98.1	Very high	96.1	Very high	72 Å²	72	37.9 Å²	37.9	47%	0.468	22%	0.215	S	C	.	.	S	Bend	trans	-76.5	-17.5	-177.3	30.5	-36.6	0	0	0	114.2	E411 V413	P380-E411 WeakPolarHBondContact O-CA 3.3Å; P380-V413 HydrophobicContact CB-CG2 4.1Å
381	E	98.4	Very high	96.9	Very high	35 Å²	35	37.7 Å²	37.7	16%	0.164	22%	0.215	C	C	.	.	S	Bend	trans	-71.7	164.8	178.6	-63.1	77.7	-169.9	0	0	112.5	F379 G383 K387 E411	F379-E381 VanDerWaalsContact C-N 3.35Å; F379-E381 HydrophobicContact CD2-CB 4.15Å; F379-E381 WeakPolarHBondContact CD2-O 3.41Å; E381-G383 PolarHBondContact O-N 2.87Å; E381-K387 HydrophobicContact CG-CG 4.22Å; E381-K387 WeakPolarHBondContact OE1-CE 3.28Å; E381-K387 IonicContact OE1-NZ 3.85Å; E381-K387 PolarHBondContact OE1-NZ 3Å; E381-E411 PolarHBondContact O-N 3.4Å; E381-E411 VanDerWaalsContact O-N 3.12Å
382	K	98.2	Very high	97.6	Very high	122 Å²	122	38.7 Å²	38.7	53%	0.53	21%	0.207	S	C	.	.	S	Bend	trans	-71.8	-15.2	178.2	-68.1	-175.6	175.8	-176.1	0	114.2	E391 R410	K382-E391 IonicContact NZ-OE1 3.02Å; K382-R410 VanDerWaalsContact O-CD 3.26Å; K382-R410 WeakPolarHBondContact O-CD 3.32Å; K382-R410 PolarHBondContact O-NH1 2.74Å; K382-R410 VanDerWaalsContact O-NH1 3.16Å
383	G	98.5	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-171.2	168.9	-178.2	0	0	0	0	0	111.7	F379 E381 G386 S394 T398	F379-G383 VanDerWaalsContact CE2-C 3.4Å; E381-G383 PolarHBondContact O-N 2.87Å; G383-G386 PolarHBondContact O-N 2.93Å; G383-S394 WeakPolarHBondContact CA-OG 3.39Å; G383-S394 PolarHBondContact O-OG 2.9Å; G383-T398 WeakPolarHBondContact CA-OG1 3.22Å
384	N	98.8	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137.5	176.3	-71.4	74.7	0	0	0	111	S358 Q377 F379 G386 S394 T397 T398	S358-N384 PolarHBondContact OG-ND2 3.13Å; Q377-N384 PolarHBondContact NE2-ND2 2.57Å; Q377-N384 PolarHBondContact OE1-ND2 3.47Å; F379-N384 WeakPolarHBondContact CZ-OD1 3.26Å; N384-G386 PolarHBondContact O-N 3.17Å; N384-G386 VanDerWaalsContact O-N 3.13Å; N384-S394 WeakPolarHBondContact O-CA 3.48Å; N384-S394 WeakPolarHBondContact O-CB 3.33Å; N384-S394 PolarHBondContact O-OG 3.49Å; N384-T397 HydrophobicContact CB-CG2 4.03Å; N384-T398 PolarHBondContact N-OG1 2.98Å; N384-T398 WeakPolarHBondContact OD1-CA 3.29Å; N384-T398 PolarHBondContact OD1-OG1 3.19Å
385	M	98.6	Very high	98.3	Very high	6 Å²	6	35 Å²	35	3%	0.03	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	28.1	-175.3	-65.8	77.6	73.3	0	0	114.3	G353 F355 S358 K387 V388 L389 T397 Y537	G353-M385 WeakPolarHBondContact O-CA 3.43Å; G353-M385 PolarHBondContact O-N 2.74Å; F355-M385 HydrophobicContact CD1-CE 4.15Å; F355-M385 HydrophobicContact CD1-CG 3.76Å; F355-M385 HydrophobicContact CD1-SD 4.23Å; F355-M385 HydrophobicContact CD2-CG 4.04Å; F355-M385 HydrophobicContact CE1-CE 4.15Å; F355-M385 HydrophobicContact CE1-CG 3.84Å; F355-M385 HydrophobicContact CE2-CG 4.11Å; F355-M385 HydrophobicContact CG-CG 3.87Å; F355-M385 HydrophobicContact CZ-CB 4.49Å; F355-M385 HydrophobicContact CZ-CG 4.01Å; S358-M385 PolarHBondContact OG-SD 3.38Å; M385-K387 PolarHBondContact O-N 3.07Å; M385-V388 CarbonylContact O-C 3.57Å; M385-V388 WeakPolarHBondContact O-CA 3.22Å; M385-V388 PolarHBondContact O-N 2.84Å; M385-L389 HydrophobicContact CB-CD1 3.7Å; M385-L389 HydrophobicContact CB-CG 3.73Å; M385-L389 HydrophobicContact CE-CD1 3.91Å; M385-L389 PolarHBondContact O-N 2.9Å; M385-T397 HydrophobicContact CE-CG2 3.26Å; M385-Y537 HydrophobicContact CE-CE2 4.37Å
386	G	98.2	Very high	98.3	Very high	20 Å²	20	38.2 Å²	38.2	21%	0.206	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.9	-173.1	0	0	0	0	0	117	G383 N384 S545	G383-G386 PolarHBondContact O-N 2.93Å; N384-G386 PolarHBondContact O-N 3.17Å; N384-G386 VanDerWaalsContact O-N 3.13Å; G386-S545 WeakPolarHBondContact O-CB 3.05Å; G386-S545 PolarHBondContact O-OG 2.85Å
387	K	98	Very high	98.3	Very high	143 Å²	143	37.9 Å²	37.9	62%	0.622	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.8	168.9	-75	177.5	171.1	132.8	0	113.6	E381 M385 S545	E381-K387 HydrophobicContact CG-CG 4.22Å; E381-K387 WeakPolarHBondContact OE1-CE 3.28Å; E381-K387 IonicContact OE1-NZ 3.85Å; E381-K387 PolarHBondContact OE1-NZ 3Å; M385-K387 PolarHBondContact O-N 3.07Å; K387-S545 VanDerWaalsContact C-OG 3.3Å; K387-S545 WeakPolarHBondContact CA-OG 3.42Å; K387-S545 PolarHBondContact O-N 3.13Å; K387-S545 VanDerWaalsContact O-N 3.08Å; K387-S545 PolarHBondContact O-OG 2.86Å
388	V	98.2	Very high	98.3	Very high	32 Å²	32	37.9 Å²	37.9	19%	0.194	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-58.7	-176.4	175.5	0	0	0	0	108.3	F355 M385 V543 S545 Y609 I619	F355-V388 HydrophobicContact CE2-CB 4.43Å; F355-V388 HydrophobicContact CE2-CG1 4.11Å; F355-V388 HydrophobicContact CE2-CG2 4.36Å; F355-V388 HydrophobicContact CZ-CG1 4.22Å; M385-V388 CarbonylContact O-C 3.57Å; M385-V388 WeakPolarHBondContact O-CA 3.22Å; M385-V388 PolarHBondContact O-N 2.84Å; V388-V543 HydrophobicContact CG1-CB 4.15Å; V388-V543 HydrophobicContact CG1-CG2 3.99Å; V388-S545 PolarHBondContact O-N 2.92Å; V388-Y609 WeakPolarHBondContact O-CE1 3.2Å; V388-Y609 PolarHBondContact O-OH 3.42Å; V388-I619 HydrophobicContact CG1-CD1 3.46Å; V388-I619 VanDerWaalsContact CG1-CD1 3.46Å
389	L	98.5	Very high	98.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.204	C	C	.	.	S	Bend	trans	-79.4	140.5	-175.5	-54.9	-178.3	0	0	0	112.2	M385 L393 Y537 S545 I619	M385-L389 HydrophobicContact CB-CD1 3.7Å; M385-L389 HydrophobicContact CB-CG 3.73Å; M385-L389 HydrophobicContact CE-CD1 3.91Å; M385-L389 PolarHBondContact O-N 2.9Å; L389-L393 HydrophobicContact CD1-CD2 4.42Å; L389-L393 HydrophobicContact CD1-CG 4.15Å; L389-L393 HydrophobicContact CD2-CD2 4.11Å; L389-Y537 HydrophobicContact CD1-CE1 4.35Å; L389-S545 WeakPolarHBondContact O-CB 3.19Å; L389-I619 HydrophobicContact CD2-CD1 3.48Å; L389-I619 VanDerWaalsContact CD2-CD1 3.48Å; L389-I619 HydrophobicContact CD2-CG2 4.17Å
390	P	98.1	Very high	98.2	Very high	26 Å²	26	42.8 Å²	42.8	17%	0.169	21%	0.207	C	C	.	.			trans	-61	160.8	165	-22.1	34.3	0	0	0	112.1	Y392 L393 S394 T549 I607 Y609	P390-Y392 VanDerWaalsContact C-N 3.32Å; P390-Y392 PolarHBondContact O-N 3.27Å; P390-L393 PolarHBondContact O-N 3.38Å; P390-S394 WeakPolarHBondContact O-CB 3.29Å; P390-S394 PolarHBondContact O-N 2.93Å; P390-T549 HydrophobicContact CG-CG2 4.03Å; P390-I607 HydrophobicContact CG-CD1 4.11Å; P390-I607 HydrophobicContact CG-CG2 3.87Å; P390-Y609 WeakPolarHBondContact CD-OH 3.41Å
391	E	97.6	Very high	98.2	Very high	117 Å²	117	39.4 Å²	39.4	55%	0.547	19%	0.185	S	C	.	.	H	α-helix	trans	-53.9	-41.7	-170.4	-176.9	164.5	-151.6	0	0	114	K382 N395	K382-E391 IonicContact NZ-OE1 3.02Å; E391-N395 WeakPolarHBondContact CG-ND2 3.14Å; E391-N395 VanDerWaalsContact O-CB 3.3Å; E391-N395 WeakPolarHBondContact O-CB 3.39Å; E391-N395 VanDerWaalsContact O-CG 3.24Å; E391-N395 PolarHBondContact O-N 3.07Å; E391-N395 PolarHBondContact O-ND2 3.39Å; E391-N395 VanDerWaalsContact O-ND2 3.14Å
392	Y	97.3	Very high	98.2	Very high	98 Å²	98	41.1 Å²	41.1	38%	0.384	19%	0.192	S	C	.	.	H	α-helix	trans	-56.7	-58.1	178.5	170.4	-98.7	0	0	0	112	P390 N395 W396 F553 Y602 W621	P390-Y392 VanDerWaalsContact C-N 3.32Å; P390-Y392 PolarHBondContact O-N 3.27Å; Y392-N395 PolarHBondContact O-N 3.46Å; Y392-W396 PolarHBondContact O-N 3.49Å; Y392-F553 HydrophobicContact CD1-CD2 4.25Å; Y392-F553 HydrophobicContact CD1-CE1 4.08Å; Y392-F553 AromaticContact CD1-CE2 3.69Å; Y392-F553 HydrophobicContact CD1-CE2 3.69Å; Y392-F553 AromaticContact CD1-CZ 3.6Å; Y392-F553 HydrophobicContact CD1-CZ 3.6Å; Y392-F553 HydrophobicContact CE1-CD1 4.15Å; Y392-F553 HydrophobicContact CE1-CD2 4.12Å; Y392-F553 HydrophobicContact CE1-CE1 4.05Å; Y392-F553 HydrophobicContact CE1-CE2 4.01Å; Y392-F553 HydrophobicContact CE1-CG 4.2Å; Y392-F553 AromaticContact CE1-CZ 3.98Å; Y392-F553 HydrophobicContact CE1-CZ 3.98Å; Y392-Y602 WeakPolarHBondContact OH-CB 3.34Å; Y392-Y602 WeakPolarHBondContact OH-CD2 3.39Å; Y392-W621 HydrophobicContact CE1-CZ3 4.36Å
393	L	98.1	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.4	-34.5	-175.6	-171.7	57.9	0	0	0	111.1	L389 P390 N395 W396 T397 Y537 I607 W621	L389-L393 HydrophobicContact CD1-CD2 4.42Å; L389-L393 HydrophobicContact CD1-CG 4.15Å; L389-L393 HydrophobicContact CD2-CD2 4.11Å; P390-L393 PolarHBondContact O-N 3.38Å; L393-N395 VanDerWaalsContact C-N 3.34Å; L393-N395 PolarHBondContact O-N 3.02Å; L393-W396 HydrophobicContact CD1-CB 4.37Å; L393-W396 HydrophobicContact CD1-CD2 4.46Å; L393-W396 HydrophobicContact CD1-CE3 4.06Å; L393-W396 PolarHBondContact O-N 3.19Å; L393-T397 PolarHBondContact O-N 3.5Å; L393-T397 PolarHBondContact O-OG1 3.36Å; L393-Y537 HydrophobicContact CD1-CE1 4.32Å; L393-Y537 HydrophobicContact CD2-CD1 4.42Å; L393-Y537 HydrophobicContact CD2-CE1 4.04Å; L393-Y537 HydrophobicContact CG-CE1 4.24Å; L393-I607 HydrophobicContact CB-CD1 4.21Å; L393-I607 HydrophobicContact CD2-CD1 3.64Å; L393-W621 HydrophobicContact CD1-CB 4.49Å; L393-W621 HydrophobicContact CD1-CD2 3.45Å; L393-W621 VanDerWaalsContact CD1-CD2 3.45Å; L393-W621 HydrophobicContact CD1-CE3 3.51Å; L393-W621 HydrophobicContact CD1-CG 3.89Å; L393-W621 HydrophobicContact CD1-CH2 4.25Å; L393-W621 HydrophobicContact CD1-CZ2 4.25Å; L393-W621 HydrophobicContact CD1-CZ3 3.92Å; L393-W621 HydrophobicContact CD2-CB 3.9Å; L393-W621 HydrophobicContact CD2-CD2 4.42Å; L393-W621 HydrophobicContact CD2-CG 4.18Å
394	S	98.7	Very high	97.8	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-43.7	173.1	-176.7	0	0	0	0	112.4	G383 N384 P390 T398	G383-S394 WeakPolarHBondContact CA-OG 3.39Å; G383-S394 PolarHBondContact O-OG 2.9Å; N384-S394 WeakPolarHBondContact O-CA 3.48Å; N384-S394 WeakPolarHBondContact O-CB 3.33Å; N384-S394 PolarHBondContact O-OG 3.49Å; P390-S394 WeakPolarHBondContact O-CB 3.29Å; P390-S394 PolarHBondContact O-N 2.93Å; S394-T398 PolarHBondContact O-N 2.7Å; S394-T398 PolarHBondContact O-OG1 3.49Å
395	N	98.3	Very high	97.6	Very high	48 Å²	48	48.4 Å²	48.4	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-43.6	175.1	-74.6	-32.4	0	0	0	111.5	E391 Y392 L393 T397 T398 E399	E391-N395 WeakPolarHBondContact CG-ND2 3.14Å; E391-N395 VanDerWaalsContact O-CB 3.3Å; E391-N395 WeakPolarHBondContact O-CB 3.39Å; E391-N395 VanDerWaalsContact O-CG 3.24Å; E391-N395 PolarHBondContact O-N 3.07Å; E391-N395 PolarHBondContact O-ND2 3.39Å; E391-N395 VanDerWaalsContact O-ND2 3.14Å; Y392-N395 PolarHBondContact O-N 3.46Å; L393-N395 VanDerWaalsContact C-N 3.34Å; L393-N395 PolarHBondContact O-N 3.02Å; N395-T397 VanDerWaalsContact C-N 3.32Å; N395-T397 PolarHBondContact O-N 2.72Å; N395-T398 VanDerWaalsContact O-CB 3.32Å; N395-T398 WeakPolarHBondContact O-CB 3.48Å; N395-T398 PolarHBondContact O-N 3.23Å; N395-T398 VanDerWaalsContact O-N 3.09Å; N395-E399 PolarHBondContact O-N 3.1Å
396	W	98.3	Very high	97.6	Very high	69 Å²	69	48.3 Å²	48.3	26%	0.261	24%	0.235	S	C	.	.	H	α-helix	trans	-56.5	-46.6	175.4	-177.7	96.3	0	0	0	111.6	Y392 L393 T398 E399 K400 V535 Y537 W621	Y392-W396 PolarHBondContact O-N 3.49Å; L393-W396 HydrophobicContact CD1-CB 4.37Å; L393-W396 HydrophobicContact CD1-CD2 4.46Å; L393-W396 HydrophobicContact CD1-CE3 4.06Å; L393-W396 PolarHBondContact O-N 3.19Å; W396-T398 VanDerWaalsContact C-N 3.28Å; W396-T398 PolarHBondContact O-N 2.72Å; W396-E399 PolarHBondContact O-N 2.68Å; W396-K400 HydrophobicContact CH2-CB 4.38Å; W396-K400 HydrophobicContact CH2-CG 4.35Å; W396-K400 HydrophobicContact CZ3-CB 4.23Å; W396-K400 HydrophobicContact CZ3-CG 4.45Å; W396-K400 PolarHBondContact O-N 3.38Å; W396-V535 HydrophobicContact CH2-CG1 3.87Å; W396-V535 HydrophobicContact CH2-CG2 3.78Å; W396-V535 HydrophobicContact CZ3-CG1 3.74Å; W396-V535 HydrophobicContact CZ3-CG2 4.43Å; W396-Y537 WeakPolarHBondContact CZ3-OH 3.04Å; W396-W621 HydrophobicContact CD2-CH2 4.05Å; W396-W621 AromaticContact CD2-CZ2 3.62Å; W396-W621 HydrophobicContact CD2-CZ2 3.62Å; W396-W621 AromaticContact CE2-CH2 3.89Å; W396-W621 AromaticContact CE2-CZ2 3.39Å; W396-W621 AromaticContact CE3-CZ2 3.79Å; W396-W621 HydrophobicContact CE3-CZ2 3.79Å; W396-W621 HydrophobicContact CG-CH2 4.31Å; W396-W621 HydrophobicContact CG-CZ2 4.35Å; W396-W621 AromaticContact CH2-CE2 3.96Å; W396-W621 AromaticContact CH2-CZ2 3.64Å; W396-W621 HydrophobicContact CH2-CZ2 3.64Å; W396-W621 AromaticContact CH2-NE1 3.71Å; W396-W621 HydrophobicContact CZ2-CH2 4.34Å; W396-W621 AromaticContact CZ2-CZ2 3.45Å; W396-W621 HydrophobicContact CZ2-CZ2 3.45Å; W396-W621 VanDerWaalsContact CZ2-CZ2 3.45Å; W396-W621 AromaticContact CZ3-CE2 3.84Å; W396-W621 AromaticContact CZ3-CZ2 3.8Å; W396-W621 HydrophobicContact CZ3-CZ2 3.8Å; W396-W621 AromaticContact CZ3-NE1 3.53Å; W396-W621 AromaticContact NE1-CH2 3.93Å; W396-W621 AromaticContact NE1-CZ2 3.89Å
397	T	98.8	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-36.3	177.1	-47.7	0	0	0	0	111.8	N384 M385 L393 N395 E399 K400 V401 L531 Y537	N384-T397 HydrophobicContact CB-CG2 4.03Å; M385-T397 HydrophobicContact CE-CG2 3.26Å; L393-T397 PolarHBondContact O-N 3.5Å; L393-T397 PolarHBondContact O-OG1 3.36Å; N395-T397 VanDerWaalsContact C-N 3.32Å; N395-T397 PolarHBondContact O-N 2.72Å; T397-E399 VanDerWaalsContact C-N 3.34Å; T397-E399 PolarHBondContact O-N 2.96Å; T397-K400 WeakPolarHBondContact O-CB 3.48Å; T397-K400 PolarHBondContact O-N 3.18Å; T397-V401 WeakPolarHBondContact O-CG2 3.5Å; T397-V401 PolarHBondContact O-N 2.79Å; T397-L531 HydrophobicContact CG2-CD1 3.54Å; T397-Y537 WeakPolarHBondContact CG2-OH 3.27Å; T397-Y537 PolarHBondContact OG1-OH 3.29Å
398	T	98.8	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-43.6	175.5	-55.1	0	0	0	0	111.5	G383 N384 S394 N395 W396 V401 K402 V408 R410	G383-T398 WeakPolarHBondContact CA-OG1 3.22Å; N384-T398 PolarHBondContact N-OG1 2.98Å; N384-T398 WeakPolarHBondContact OD1-CA 3.29Å; N384-T398 PolarHBondContact OD1-OG1 3.19Å; S394-T398 PolarHBondContact O-N 2.7Å; S394-T398 PolarHBondContact O-OG1 3.49Å; N395-T398 VanDerWaalsContact O-CB 3.32Å; N395-T398 WeakPolarHBondContact O-CB 3.48Å; N395-T398 PolarHBondContact O-N 3.23Å; N395-T398 VanDerWaalsContact O-N 3.09Å; W396-T398 VanDerWaalsContact C-N 3.28Å; W396-T398 PolarHBondContact O-N 2.72Å; T398-V401 PolarHBondContact O-N 2.64Å; T398-K402 WeakPolarHBondContact O-CG 3.45Å; T398-K402 PolarHBondContact O-N 2.86Å; T398-V408 HydrophobicContact CG2-CB 4.32Å; T398-V408 HydrophobicContact CG2-CG1 3.89Å; T398-R410 HydrophobicContact CG2-CG 4.46Å
399	E	98.1	Very high	97.7	Very high	87 Å²	87	47.1 Å²	47.1	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-36.5	175.7	-62.9	-49.5	127.4	0	0	112.1	N395 W396 T397 K402 K403	N395-E399 PolarHBondContact O-N 3.1Å; W396-E399 PolarHBondContact O-N 2.68Å; T397-E399 VanDerWaalsContact C-N 3.34Å; T397-E399 PolarHBondContact O-N 2.96Å; E399-K402 PolarHBondContact O-N 3.47Å; E399-K402 IonicContact OE1-NZ 3.54Å; E399-K402 PolarHBondContact OE1-NZ 2.79Å; E399-K402 IonicContact OE2-NZ 2.62Å; E399-K403 WeakPolarHBondContact O-CG 3.13Å; E399-K403 PolarHBondContact O-N 3.19Å
400	K	97.1	Very high	97.6	Very high	18 Å²	18	51.4 Å²	51.4	8%	0.078	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-53.4	169.7	-176.1	-72.7	-171.7	-160.6	0	110.7	C362 W396 T397 K402 K403 E404 L531 V535	C362-K400 PolarHBondContact SG-NZ 3.45Å; W396-K400 HydrophobicContact CH2-CB 4.38Å; W396-K400 HydrophobicContact CH2-CG 4.35Å; W396-K400 HydrophobicContact CZ3-CB 4.23Å; W396-K400 HydrophobicContact CZ3-CG 4.45Å; W396-K400 PolarHBondContact O-N 3.38Å; T397-K400 WeakPolarHBondContact O-CB 3.48Å; T397-K400 PolarHBondContact O-N 3.18Å; K400-K402 VanDerWaalsContact C-N 3.27Å; K400-K402 PolarHBondContact O-N 3.29Å; K400-K403 WeakPolarHBondContact O-CA 3.31Å; K400-K403 WeakPolarHBondContact O-CB 3.41Å; K400-K403 PolarHBondContact O-N 3.27Å; K400-E404 HydrophobicContact CD-CG 4.3Å; K400-E404 WeakPolarHBondContact CE-OE1 3.22Å; K400-E404 IonicContact NZ-OE1 2.68Å; K400-E404 PolarHBondContact NZ-OE1 2.87Å; K400-E404 PolarHBondContact O-N 2.87Å; K400-L531 HydrophobicContact CD-CB 4.46Å; K400-L531 HydrophobicContact CD-CD1 4.34Å; K400-L531 WeakPolarHBondContact CE-O 3.43Å; K400-L531 PolarHBondContact NZ-O 3.1Å; K400-V535 HydrophobicContact CG-CG2 4.2Å
401	V	98.3	Very high	97.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-39.2	-178.2	173.2	0	0	0	0	111.2	A361 T397 T398 K403 E404 V406 V408	A361-V401 HydrophobicContact CB-CG1 3.92Å; T397-V401 WeakPolarHBondContact O-CG2 3.5Å; T397-V401 PolarHBondContact O-N 2.79Å; T398-V401 PolarHBondContact O-N 2.64Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 3.23Å; V401-E404 WeakPolarHBondContact O-CB 3.29Å; V401-E404 PolarHBondContact O-N 3.22Å; V401-V406 HydrophobicContact CG1-CB 3.81Å; V401-V406 HydrophobicContact CG1-CG1 3.98Å; V401-V406 HydrophobicContact CG1-CG2 4.02Å; V401-V406 WeakPolarHBondContact O-CB 3.43Å; V401-V408 HydrophobicContact CB-CG2 4.33Å; V401-V408 HydrophobicContact CG1-CG2 3.81Å
402	K	97.4	Very high	97.6	Very high	71 Å²	71	50.3 Å²	50.3	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-36.5	173.4	-70.7	172.2	-178.2	171.3	0	113.3	T398 E399 K400 E404 G405 V408	T398-K402 WeakPolarHBondContact O-CG 3.45Å; T398-K402 PolarHBondContact O-N 2.86Å; E399-K402 PolarHBondContact O-N 3.47Å; E399-K402 IonicContact OE1-NZ 3.54Å; E399-K402 PolarHBondContact OE1-NZ 2.79Å; E399-K402 IonicContact OE2-NZ 2.62Å; K400-K402 VanDerWaalsContact C-N 3.27Å; K400-K402 PolarHBondContact O-N 3.29Å; K402-E404 PolarHBondContact O-N 3.42Å; K402-G405 PolarHBondContact O-N 3.45Å; K402-V408 HydrophobicContact CG-CB 4.1Å; K402-V408 HydrophobicContact CG-CG2 3.75Å
403	K	95.2	Very high	97.7	Very high	180 Å²	180	49 Å²	49	78%	0.783	24%	0.236	S	C	*	.	H	α-helix	trans	-64.5	-21.2	176.6	-72.4	174.5	-178.5	-176.9	0	112.9	E399 K400 V401 G405	E399-K403 WeakPolarHBondContact O-CG 3.13Å; E399-K403 PolarHBondContact O-N 3.19Å; K400-K403 WeakPolarHBondContact O-CA 3.31Å; K400-K403 WeakPolarHBondContact O-CB 3.41Å; K400-K403 PolarHBondContact O-N 3.27Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 3.23Å; K403-G405 PolarHBondContact O-N 3.5Å
404	E	94.6	Very high	97.7	Very high	57 Å²	57	50.1 Å²	50.1	27%	0.266	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	4.3	170	-55.5	-63.2	163.5	0	0	113.3	C362 G365 K400 V401 K402 V406	C362-E404 HydrophobicContact CB-CG 4.21Å; G365-E404 CarbonylContact C-O 3.54Å; G365-E404 WeakPolarHBondContact CA-O 3.31Å; K400-E404 HydrophobicContact CD-CG 4.3Å; K400-E404 WeakPolarHBondContact CE-OE1 3.22Å; K400-E404 IonicContact NZ-OE1 2.68Å; K400-E404 PolarHBondContact NZ-OE1 2.87Å; K400-E404 PolarHBondContact O-N 2.87Å; V401-E404 WeakPolarHBondContact O-CB 3.29Å; V401-E404 PolarHBondContact O-N 3.22Å; K402-E404 PolarHBondContact O-N 3.42Å; E404-V406 HydrophobicContact CB-CG2 4.39Å
405	G	94.3	Very high	97.6	Very high	38 Å²	38	57.1 Å²	57.1	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	3.5	-177.9	0	0	0	0	0	114.8	K402 K403	K402-G405 PolarHBondContact O-N 3.45Å; K403-G405 PolarHBondContact O-N 3.5Å
406	V	98.1	Very high	97.5	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	28%	0.275	C	S	.	.			trans	-79.2	133	-178.3	-177.5	0	0	0	0	111.8	A361 V375 Q377 V401 E404 V408	A361-V406 HydrophobicContact CB-CG1 4.35Å; A361-V406 HydrophobicContact CB-CG2 4.27Å; A361-V406 WeakPolarHBondContact O-CG2 3.4Å; V375-V406 HydrophobicContact CB-CG2 4.34Å; V375-V406 HydrophobicContact CG1-CG1 4.12Å; V375-V406 HydrophobicContact CG1-CG2 4.14Å; Q377-V406 HydrophobicContact CB-CG1 3.92Å; V401-V406 HydrophobicContact CG1-CB 3.81Å; V401-V406 HydrophobicContact CG1-CG1 3.98Å; V401-V406 HydrophobicContact CG1-CG2 4.02Å; V401-V406 WeakPolarHBondContact O-CB 3.43Å; E404-V406 HydrophobicContact CB-CG2 4.39Å; V406-V408 HydrophobicContact CG1-CG2 4.12Å; V406-V408 PolarHBondContact O-N 2.84Å
407	K	98.2	Very high	97.5	Very high	116 Å²	116	54 Å²	54	50%	0.504	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	103	169.4	-66.1	-178.4	-177.9	-179	0	110.1	E374 V375 I376 Q377	E374-K407 HydrophobicContact CG-CD 4.23Å; E374-K407 WeakPolarHBondContact OE1-CD 3.46Å; E374-K407 WeakPolarHBondContact OE1-CE 3.44Å; E374-K407 IonicContact OE1-NZ 2.83Å; E374-K407 PolarHBondContact OE1-NZ 2.94Å; V375-K407 PolarHBondContact O-N 2.87Å; I376-K407 CarbonylContact C-O 3.5Å; I376-K407 VanDerWaalsContact CA-O 3.31Å; I376-K407 WeakPolarHBondContact CA-O 3.41Å; I376-K407 HydrophobicContact CG1-CB 4.24Å; Q377-K407 PolarHBondContact N-O 3.23Å
408	V	98.7	Very high	97.5	Very high	21 Å²	21	55.5 Å²	55.5	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.8	179.5	-174.2	0	0	0	0	111.8	Q377 F379 T398 V401 K402 V406 R410	Q377-V408 CarbonylContact O-C 3.52Å; Q377-V408 WeakPolarHBondContact O-CA 3.44Å; F379-V408 HydrophobicContact CE1-CG1 3.71Å; F379-V408 HydrophobicContact CZ-CG1 3.56Å; T398-V408 HydrophobicContact CG2-CB 4.32Å; T398-V408 HydrophobicContact CG2-CG1 3.89Å; V401-V408 HydrophobicContact CB-CG2 4.33Å; V401-V408 HydrophobicContact CG1-CG2 3.81Å; K402-V408 HydrophobicContact CG-CB 4.1Å; K402-V408 HydrophobicContact CG-CG2 3.75Å; V406-V408 HydrophobicContact CG1-CG2 4.12Å; V406-V408 PolarHBondContact O-N 2.84Å; V408-R410 HydrophobicContact CG1-CG 4.05Å
409	I	98.6	Very high	97.4	Very high	32 Å²	32	58.6 Å²	58.6	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97.5	177.4	-50	179.8	0	0	0	109.3	I376 Q377 M378 F379 A412 L428 R432 V434	I376-I409 HydrophobicContact CG2-CD1 3.66Å; I376-I409 HydrophobicContact CG2-CG1 4.02Å; Q377-I409 PolarHBondContact O-N 3.47Å; M378-I409 VanDerWaalsContact CA-O 3.3Å; M378-I409 WeakPolarHBondContact CA-O 3.39Å; M378-I409 HydrophobicContact CB-CB 3.99Å; M378-I409 HydrophobicContact CE-CD1 4.23Å; F379-I409 PolarHBondContact N-O 3.2Å; I409-A412 HydrophobicContact CG2-CB 3.97Å; I409-A412 WeakPolarHBondContact O-CB 3.42Å; I409-L428 HydrophobicContact CG2-CD1 4.19Å; I409-R432 VanDerWaalsContact CG2-NH1 3.3Å; I409-V434 HydrophobicContact CD1-CG2 3.67Å
410	R	98.4	Very high	97.1	Very high	92 Å²	92	59.7 Å²	59.7	35%	0.347	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	161.4	179.4	-45.8	177.1	-51.6	160.2	-9.9	110.8	F379 K382 T398 V408 A412 R432	F379-R410 HydrophobicContact CE2-CB 4.37Å; F379-R410 HydrophobicContact CE2-CG 4.2Å; F379-R410 HydrophobicContact CZ-CG 4.38Å; F379-R410 CarbonylContact O-C 3.51Å; K382-R410 VanDerWaalsContact O-CD 3.26Å; K382-R410 WeakPolarHBondContact O-CD 3.32Å; K382-R410 PolarHBondContact O-NH1 2.74Å; K382-R410 VanDerWaalsContact O-NH1 3.16Å; T398-R410 HydrophobicContact CG2-CG 4.46Å; V408-R410 HydrophobicContact CG1-CG 4.05Å; R410-A412 PolarHBondContact O-N 3.44Å; R410-A412 VanDerWaalsContact O-N 3.1Å; R410-R432 PolarHBondContact O-NH2 2.91Å
411	E	97.8	Very high	96.9	Very high	117 Å²	117	65.1 Å²	65.1	55%	0.547	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.2	178	-58.3	178.8	98.3	0	0	112.7	F379 P380 E381	F379-E411 PolarHBondContact O-N 3.07Å; P380-E411 WeakPolarHBondContact O-CA 3.3Å; E381-E411 PolarHBondContact O-N 3.4Å; E381-E411 VanDerWaalsContact O-N 3.12Å
412	A	97.9	Very high	96.7	Very high	3 Å²	3	70.8 Å²	70.8	3%	0.025	35%	0.351	C	S	.	.			trans	-94.3	102.7	-175.8	0	0	0	0	0	110.9	M378 F379 I409 R410 L428	M378-A412 HydrophobicContact CB-CB 3.93Å; F379-A412 CarbonylContact C-O 3.55Å; F379-A412 PolarHBondContact O-N 3.45Å; I409-A412 HydrophobicContact CG2-CB 3.97Å; I409-A412 WeakPolarHBondContact O-CB 3.42Å; R410-A412 PolarHBondContact O-N 3.44Å; R410-A412 VanDerWaalsContact O-N 3.1Å; A412-L428 HydrophobicContact CB-CD1 3.75Å; A412-L428 HydrophobicContact CB-CD2 4.24Å
413	V	97.8	Very high	96.6	Very high	71 Å²	71	69.5 Å²	69.5	43%	0.43	35%	0.345	S	S	.	.			trans	-95.3	110.5	172.9	-177.8	0	0	0	0	109.5	P380 K415 L428 K429	P380-V413 HydrophobicContact CB-CG2 4.1Å; V413-K415 PolarHBondContact O-N 3.21Å; V413-L428 CarbonylContact O-C 3.56Å; V413-L428 WeakPolarHBondContact O-CA 3.3Å; V413-K429 HydrophobicContact CB-CB 4.03Å; V413-K429 HydrophobicContact CG1-CB 4.32Å; V413-K429 HydrophobicContact CG1-CD 4.43Å; V413-K429 PolarHBondContact O-N 2.94Å
414	V	97.8	Very high	96.8	Very high	24 Å²	24	61 Å²	61	15%	0.145	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.4	177.9	-176.3	0	0	0	0	110.3	V314 I351 M378 V417 I426 L428	V314-V414 HydrophobicContact CG2-CB 4.42Å; V314-V414 HydrophobicContact CG2-CG1 3.84Å; I351-V414 HydrophobicContact CD1-CG2 4.32Å; I351-V414 HydrophobicContact CG2-CG2 4.25Å; M378-V414 HydrophobicContact SD-CG2 4.15Å; V414-V417 HydrophobicContact CG1-CG2 3.98Å; V414-I426 HydrophobicContact CG1-CG2 3.85Å; V414-I426 HydrophobicContact CG2-CG2 4.14Å; V414-L428 HydrophobicContact CG2-CD2 4.17Å
415	K	97.3	Very high	97	Very high	150 Å²	150	59.7 Å²	59.7	65%	0.652	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	-43.6	179	-176.9	-179.3	178.3	-179.1	0	112.1	V413 K427	V413-K415 PolarHBondContact O-N 3.21Å; K415-K427 WeakPolarHBondContact CA-O 3.5Å; K415-K427 WeakPolarHBondContact CB-O 3.37Å; K415-K427 PolarHBondContact N-O 3.46Å
416	S	97.3	Very high	97.2	Very high	44 Å²	44	57.9 Å²	57.9	31%	0.308	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	152.3	179.4	59.6	0	0	0	0	110.6	K427	S416-K427 PolarHBondContact N-O 3.04Å; S416-K427 PolarHBondContact O-N 3.19Å
417	V	98	Very high	97.2	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.1	169.8	-173	0	0	0	0	108.2	I315 A318 V322 V414 L424 E425 I426 I439	I315-V417 HydrophobicContact CG1-CG2 4.06Å; A318-V417 HydrophobicContact CB-CB 4.4Å; A318-V417 VanDerWaalsContact CB-O 3.28Å; A318-V417 WeakPolarHBondContact CB-O 3.23Å; V322-V417 HydrophobicContact CG1-CB 4.13Å; V322-V417 HydrophobicContact CG1-CG1 3.55Å; V322-V417 HydrophobicContact CG2-CG1 4.27Å; V414-V417 HydrophobicContact CG1-CG2 3.98Å; V417-L424 HydrophobicContact CG1-CD2 4.48Å; V417-E425 WeakPolarHBondContact CA-O 3.38Å; V417-I426 HydrophobicContact CG1-CG1 4.38Å; V417-I426 HydrophobicContact CG2-CG1 4.37Å; V417-I426 HydrophobicContact CG2-CG2 4.42Å; V417-I439 HydrophobicContact CG1-CD1 3.8Å; V417-I439 HydrophobicContact CG2-CD1 4.48Å
418	S	97.4	Very high	97.2	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.1	172.7	58.9	0	0	0	0	110.3	L424 E425	S418-L424 CarbonylContact O-C 3.58Å; S418-L424 WeakPolarHBondContact O-CA 3.49Å; S418-E425 PolarHBondContact N-O 3.1Å; S418-E425 PolarHBondContact O-N 3.24Å
419	Y	97.4	Very high	97.1	Very high	66 Å²	66	63 Å²	63	26%	0.259	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.6	173.9	179	-114.5	0	0	0	109.6	E321 R325 D422 K423 L424	E321-Y419 HydrophobicContact CB-CD1 3.85Å; E321-Y419 HydrophobicContact CB-CG 4.3Å; E321-Y419 HydrophobicContact CG-CD1 4.35Å; R325-Y419 PolarHBondContact NH2-OH 3.48Å; Y419-D422 VanDerWaalsContact CE2-C 3.46Å; Y419-D422 PolarHBondContact OH-OD1 2.93Å; Y419-K423 WeakPolarHBondContact CA-O 3.09Å; Y419-K423 WeakPolarHBondContact CD2-O 2.88Å; Y419-L424 HydrophobicContact CD2-CD2 4.11Å; Y419-L424 HydrophobicContact CD2-CG 4.5Å
420	K	92.8	Very high	97	Very high	110 Å²	110	65.5 Å²	65.5	48%	0.478	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142.1	-176.6	-64	-172.9	-178.7	-174.2	0	111.2	D422 K423 R435	K420-D422 PolarHBondContact O-N 3.35Å; K420-K423 PolarHBondContact N-O 3.21Å; K420-K423 PolarHBondContact O-N 3.26Å; K420-R435 PolarHBondContact O-NH2 3.4Å
421	D	92	Very high	96.9	Very high	132 Å²	132	64 Å²	64	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	46.7	-178	-36.6	-46.7	0	0	0	112.3	K423 R435	D421-K423 PolarHBondContact O-N 3.08Å; D421-K423 VanDerWaalsContact O-N 3.11Å; D421-R435 IonicContact OD2-CZ 3.1Å; D421-R435 IonicContact OD2-NH2 2.64Å; D421-R435 PolarHBondContact OD2-NH2 2.95Å
422	D	93.4	Very high	96.9	Very high	118 Å²	118	63.7 Å²	63.7	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	18.6	-179.4	-158	26.7	0	0	0	115.7	Y419 K420	Y419-D422 VanDerWaalsContact CE2-C 3.46Å; Y419-D422 PolarHBondContact OH-OD1 2.93Å; K420-D422 PolarHBondContact O-N 3.35Å
423	K	96.7	Very high	96.9	Very high	45 Å²	45	67.2 Å²	67.2	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151	175.4	-65.2	-72.4	-174.5	171.1	0	111.3	Y419 K420 D421 D437	Y419-K423 WeakPolarHBondContact CA-O 3.09Å; Y419-K423 WeakPolarHBondContact CD2-O 2.88Å; K420-K423 PolarHBondContact N-O 3.21Å; K420-K423 PolarHBondContact O-N 3.26Å; D421-K423 PolarHBondContact O-N 3.08Å; D421-K423 VanDerWaalsContact O-N 3.11Å; K423-D437 WeakPolarHBondContact CD-OD1 3.41Å; K423-D437 VanDerWaalsContact CE-OD1 3.22Å; K423-D437 WeakPolarHBondContact CE-OD1 3.12Å; K423-D437 IonicContact NZ-OD1 2.72Å; K423-D437 PolarHBondContact NZ-OD1 2.59Å; K423-D437 IonicContact NZ-OD2 3.09Å; K423-D437 PolarHBondContact NZ-OD2 3.44Å; K423-D437 VanDerWaalsContact NZ-OD2 3.14Å
424	L	98.3	Very high	97	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.4	163.9	-63.8	170.6	0	0	0	109	V322 R325 V417 S418 Y419 R435 T436 I439	V322-L424 HydrophobicContact CB-CD2 4.26Å; V322-L424 HydrophobicContact CG1-CD2 4.19Å; V322-L424 HydrophobicContact CG2-CD2 3.93Å; R325-L424 HydrophobicContact CB-CD1 3.8Å; R325-L424 HydrophobicContact CB-CD2 4.33Å; R325-L424 HydrophobicContact CB-CG 4.33Å; V417-L424 HydrophobicContact CG1-CD2 4.48Å; S418-L424 CarbonylContact O-C 3.58Å; S418-L424 WeakPolarHBondContact O-CA 3.49Å; Y419-L424 HydrophobicContact CD2-CD2 4.11Å; Y419-L424 HydrophobicContact CD2-CG 4.5Å; L424-R435 CarbonylContact O-C 3.56Å; L424-R435 VanDerWaalsContact O-CA 3.22Å; L424-R435 WeakPolarHBondContact O-CA 3.45Å; L424-T436 HydrophobicContact CB-CG2 3.86Å; L424-T436 WeakPolarHBondContact CB-O 3.42Å; L424-T436 HydrophobicContact CD1-CG2 4.18Å; L424-T436 PolarHBondContact N-O 2.68Å; L424-T436 PolarHBondContact O-N 2.87Å; L424-I439 HydrophobicContact CD1-CB 4.39Å; L424-I439 HydrophobicContact CD1-CD1 3.81Å; L424-I439 HydrophobicContact CD1-CG1 3.71Å
425	E	98.1	Very high	97	Very high	30 Å²	30	68.6 Å²	68.6	14%	0.14	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.1	175.4	-174.1	178.9	101.6	0	0	109	V417 S418 K427 V433	V417-E425 WeakPolarHBondContact CA-O 3.38Å; S418-E425 PolarHBondContact N-O 3.1Å; S418-E425 PolarHBondContact O-N 3.24Å; E425-K427 WeakPolarHBondContact OE1-CE 3.4Å; E425-K427 IonicContact OE1-NZ 3.21Å; E425-K427 PolarHBondContact OE1-NZ 2.65Å; E425-V433 HydrophobicContact CG-CG1 3.36Å
426	I	98.4	Very high	97.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114	178.5	-52.9	170.1	0	0	0	108	T349 I351 M378 V414 V417 L428 V433 V434 T436 I439	T349-I426 HydrophobicContact CG2-CD1 3.69Å; I351-I426 HydrophobicContact CD1-CD1 4.49Å; M378-I426 HydrophobicContact CE-CD1 4.17Å; M378-I426 HydrophobicContact SD-CD1 4.36Å; M378-I426 HydrophobicContact SD-CG2 4.05Å; V414-I426 HydrophobicContact CG1-CG2 3.85Å; V414-I426 HydrophobicContact CG2-CG2 4.14Å; V417-I426 HydrophobicContact CG1-CG1 4.38Å; V417-I426 HydrophobicContact CG2-CG1 4.37Å; V417-I426 HydrophobicContact CG2-CG2 4.42Å; I426-L428 HydrophobicContact CG2-CD2 4.12Å; I426-V433 WeakPolarHBondContact O-CA 3.33Å; I426-V434 HydrophobicContact CB-CB 4.35Å; I426-V434 PolarHBondContact N-O 2.8Å; I426-V434 PolarHBondContact O-N 2.92Å; I426-T436 HydrophobicContact CD1-CG2 4.18Å; I426-I439 HydrophobicContact CD1-CD1 3.78Å; I426-I439 HydrophobicContact CD1-CG1 3.98Å; I426-I439 HydrophobicContact CG1-CD1 3.94Å
427	K	98.2	Very high	97.1	Very high	81 Å²	81	61 Å²	61	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.2	175.2	-59.6	-170.4	179.4	-175.6	0	110.1	K415 S416 E425 V433	K415-K427 WeakPolarHBondContact CA-O 3.5Å; K415-K427 WeakPolarHBondContact CB-O 3.37Å; K415-K427 PolarHBondContact N-O 3.46Å; S416-K427 PolarHBondContact N-O 3.04Å; S416-K427 PolarHBondContact O-N 3.19Å; E425-K427 WeakPolarHBondContact OE1-CE 3.4Å; E425-K427 IonicContact OE1-NZ 3.21Å; E425-K427 PolarHBondContact OE1-NZ 2.65Å; K427-V433 HydrophobicContact CG-CG2 4.29Å
428	L	98.3	Very high	97.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	157.8	175.3	-55.7	-171.7	0	0	0	111	M378 I409 A412 V413 V414 I426 D430 G431 R432	M378-L428 HydrophobicContact SD-CD2 4.09Å; I409-L428 HydrophobicContact CG2-CD1 4.19Å; A412-L428 HydrophobicContact CB-CD1 3.75Å; A412-L428 HydrophobicContact CB-CD2 4.24Å; V413-L428 CarbonylContact O-C 3.56Å; V413-L428 WeakPolarHBondContact O-CA 3.3Å; V414-L428 HydrophobicContact CG2-CD2 4.17Å; I426-L428 HydrophobicContact CG2-CD2 4.12Å; L428-D430 WeakPolarHBondContact CB-OD1 3.31Å; L428-D430 PolarHBondContact O-N 3.12Å; L428-G431 PolarHBondContact O-N 2.8Å; L428-R432 HydrophobicContact CB-CB 4.3Å; L428-R432 HydrophobicContact CD1-CB 4.03Å; L428-R432 HydrophobicContact CG-CB 4.37Å; L428-R432 PolarHBondContact N-O 2.77Å
429	K	97.6	Very high	97.2	Very high	164 Å²	164	59.9 Å²	59.9	71%	0.713	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.9	-179.9	-172.7	-179.3	176.3	-174.3	0	112.8	V413 G431	V413-K429 HydrophobicContact CB-CB 4.03Å; V413-K429 HydrophobicContact CG1-CB 4.32Å; V413-K429 HydrophobicContact CG1-CD 4.43Å; V413-K429 PolarHBondContact O-N 2.94Å; K429-G431 PolarHBondContact O-N 3.25Å
430	D	96.3	Very high	97.3	Very high	86 Å²	86	56.8 Å²	56.8	46%	0.46	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.7	178.4	59.1	27	0	0	0	114.2	L428 R432	L428-D430 WeakPolarHBondContact CB-OD1 3.31Å; L428-D430 PolarHBondContact O-N 3.12Å; D430-R432 VanDerWaalsContact CG-NE 3.3Å; D430-R432 VanDerWaalsContact OD1-CB 3.3Å; D430-R432 WeakPolarHBondContact OD1-CB 3.26Å; D430-R432 WeakPolarHBondContact OD1-CG 3.24Å; D430-R432 PolarHBondContact OD1-N 3.38Å; D430-R432 IonicContact OD1-NE 3.42Å; D430-R432 PolarHBondContact OD1-NE 2.86Å; D430-R432 IonicContact OD2-CZ 3.98Å; D430-R432 IonicContact OD2-NE 3.46Å; D430-R432 PolarHBondContact OD2-NE 3.03Å; D430-R432 IonicContact OD2-NH2 3.87Å; D430-R432 PolarHBondContact OD2-NH2 3.05Å
431	G	97	Very high	97.5	Very high	61 Å²	61	51.6 Å²	51.6	63%	0.629	26%	0.262	S	S	*	.	S	Bend	trans	94.4	-9.7	177.6	0	0	0	0	0	114.9	L428 K429	L428-G431 PolarHBondContact O-N 2.8Å; K429-G431 PolarHBondContact O-N 3.25Å
432	R	97.8	Very high	97.7	Very high	110 Å²	110	45.9 Å²	45.9	42%	0.415	23%	0.233	S	C	.	.			trans	-63.2	148	171.7	-66.6	179.6	-71.4	178.9	-0.1	110.6	I409 R410 L428 D430	I409-R432 VanDerWaalsContact CG2-NH1 3.3Å; R410-R432 PolarHBondContact O-NH2 2.91Å; L428-R432 HydrophobicContact CB-CB 4.3Å; L428-R432 HydrophobicContact CD1-CB 4.03Å; L428-R432 HydrophobicContact CG-CB 4.37Å; L428-R432 PolarHBondContact N-O 2.77Å; D430-R432 VanDerWaalsContact CG-NE 3.3Å; D430-R432 VanDerWaalsContact OD1-CB 3.3Å; D430-R432 WeakPolarHBondContact OD1-CB 3.26Å; D430-R432 WeakPolarHBondContact OD1-CG 3.24Å; D430-R432 PolarHBondContact OD1-N 3.38Å; D430-R432 IonicContact OD1-NE 3.42Å; D430-R432 PolarHBondContact OD1-NE 2.86Å; D430-R432 IonicContact OD2-CZ 3.98Å; D430-R432 IonicContact OD2-NE 3.46Å; D430-R432 PolarHBondContact OD2-NE 3.03Å; D430-R432 IonicContact OD2-NH2 3.87Å; D430-R432 PolarHBondContact OD2-NH2 3.05Å
433	V	98	Very high	97.8	Very high	77 Å²	77	42.4 Å²	42.4	47%	0.467	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.4	177.3	-178.4	0	0	0	0	108.6	E425 I426 K427	E425-V433 HydrophobicContact CG-CG1 3.36Å; I426-V433 WeakPolarHBondContact O-CA 3.33Å; K427-V433 HydrophobicContact CG-CG2 4.29Å
434	V	98.2	Very high	97.6	Very high	14 Å²	14	42 Å²	42	9%	0.085	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	177.8	-179.9	0	0	0	0	108.4	I376 M378 I409 I426	I376-V434 HydrophobicContact CD1-CG1 3.52Å; M378-V434 HydrophobicContact CE-CB 3.94Å; M378-V434 HydrophobicContact CE-CG1 3.94Å; M378-V434 HydrophobicContact CE-CG2 3.74Å; I409-V434 HydrophobicContact CD1-CG2 3.67Å; I426-V434 HydrophobicContact CB-CB 4.35Å; I426-V434 PolarHBondContact N-O 2.8Å; I426-V434 PolarHBondContact O-N 2.92Å
435	R	98.1	Very high	97.3	Very high	110 Å²	110	42.4 Å²	42.4	42%	0.415	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.6	173.8	-62.3	-176.1	84.8	153.7	9.4	109.2	K420 D421 L424	K420-R435 PolarHBondContact O-NH2 3.4Å; D421-R435 IonicContact OD2-CZ 3.1Å; D421-R435 IonicContact OD2-NH2 2.64Å; D421-R435 PolarHBondContact OD2-NH2 2.95Å; L424-R435 CarbonylContact O-C 3.56Å; L424-R435 VanDerWaalsContact O-CA 3.22Å; L424-R435 WeakPolarHBondContact O-CA 3.45Å
436	T	98.6	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	162.1	-177.5	-160.2	0	0	0	0	110.6	S347 T349 L424 I426 H438 I439	S347-T436 VanDerWaalsContact C-OG1 3.3Å; S347-T436 PolarHBondContact O-OG1 3.27Å; S347-T436 VanDerWaalsContact OG-CA 3.27Å; S347-T436 WeakPolarHBondContact OG-CA 3.3Å; T349-T436 PolarHBondContact N-OG1 3.18Å; T349-T436 WeakPolarHBondContact OG1-CB 3.06Å; T349-T436 WeakPolarHBondContact OG1-CG2 2.84Å; T349-T436 PolarHBondContact OG1-OG1 2.98Å; L424-T436 HydrophobicContact CB-CG2 3.86Å; L424-T436 WeakPolarHBondContact CB-O 3.42Å; L424-T436 HydrophobicContact CD1-CG2 4.18Å; L424-T436 PolarHBondContact N-O 2.68Å; L424-T436 PolarHBondContact O-N 2.87Å; I426-T436 HydrophobicContact CD1-CG2 4.18Å; T436-H438 PolarHBondContact OG1-O 3.06Å; T436-I439 HydrophobicContact CG2-CG1 4Å
437	D	98.3	Very high	97.2	Very high	33 Å²	33	45.4 Å²	45.4	18%	0.176	24%	0.241	C	C	.	.	S	Bend	trans	-83.4	-40.2	174.4	-62.1	-56.7	0	0	0	112.3	A345 Q346 S347 K423	A345-D437 HydrophobicContact CB-CB 3.92Å; Q346-D437 WeakPolarHBondContact CA-OD2 3.45Å; Q346-D437 WeakPolarHBondContact CB-OD2 3.41Å; Q346-D437 PolarHBondContact N-OD2 3.4Å; S347-D437 PolarHBondContact N-OD2 2.84Å; S347-D437 WeakPolarHBondContact O-CB 3.42Å; S347-D437 PolarHBondContact O-N 3.18Å; S347-D437 PolarHBondContact OG-N 2.81Å; S347-D437 PolarHBondContact OG-OD2 2.9Å; K423-D437 WeakPolarHBondContact CD-OD1 3.41Å; K423-D437 VanDerWaalsContact CE-OD1 3.22Å; K423-D437 WeakPolarHBondContact CE-OD1 3.12Å; K423-D437 IonicContact NZ-OD1 2.72Å; K423-D437 PolarHBondContact NZ-OD1 2.59Å; K423-D437 IonicContact NZ-OD2 3.09Å; K423-D437 PolarHBondContact NZ-OD2 3.44Å; K423-D437 VanDerWaalsContact NZ-OD2 3.14Å
438	H	98.7	Very high	97.2	Very high	17 Å²	17	42.6 Å²	42.6	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.8	-174.6	-158.7	83.4	0	0	0	111.9	R325 T327 V341 S347 I348 T349 T436	R325-H438 PolarHBondContact O-ND1 3.05Å; T327-H438 PolarHBondContact N-NE2 2.66Å; T327-H438 PolarHBondContact OG1-NE2 3.42Å; V341-H438 HydrophobicContact CG1-CB 3.64Å; S347-H438 PolarHBondContact O-N 3.09Å; I348-H438 WeakPolarHBondContact CA-O 3.47Å; I348-H438 HydrophobicContact CG1-CB 4.34Å; T349-H438 PolarHBondContact N-O 2.93Å; T436-H438 PolarHBondContact OG1-O 3.06Å
439	I	98.8	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.6	175.1	-68.5	168.3	0	0	0	110.1	I315 R325 T326 T327 T349 I351 V417 L424 I426 T436	I315-I439 HydrophobicContact CD1-CG2 4.06Å; R325-I439 PolarHBondContact O-N 3.28Å; T326-I439 CarbonylContact C-O 3.57Å; T326-I439 VanDerWaalsContact CA-O 3.29Å; T326-I439 WeakPolarHBondContact CA-O 3.14Å; T326-I439 HydrophobicContact CG2-CB 4.21Å; T326-I439 HydrophobicContact CG2-CG2 3.96Å; T327-I439 PolarHBondContact N-O 3.15Å; T349-I439 CarbonylContact O-C 3.15Å; T349-I439 VanDerWaalsContact O-CA 3.26Å; T349-I439 WeakPolarHBondContact O-CA 3.29Å; I351-I439 HydrophobicContact CD1-CD1 4.46Å; I351-I439 HydrophobicContact CD1-CG2 3.64Å; I351-I439 HydrophobicContact CG1-CG2 4.08Å; V417-I439 HydrophobicContact CG1-CD1 3.8Å; V417-I439 HydrophobicContact CG2-CD1 4.48Å; L424-I439 HydrophobicContact CD1-CB 4.39Å; L424-I439 HydrophobicContact CD1-CD1 3.81Å; L424-I439 HydrophobicContact CD1-CG1 3.71Å; I426-I439 HydrophobicContact CD1-CD1 3.78Å; I426-I439 HydrophobicContact CD1-CG1 3.98Å; I426-I439 HydrophobicContact CG1-CD1 3.94Å; T436-I439 HydrophobicContact CG2-CG1 4Å
440	V	98.7	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.4	163.9	-177.2	0	0	0	0	108.7	T327 F329 L338 I348 T349 I350 I351 L360	T327-V440 CarbonylContact O-C 3.56Å; T327-V440 WeakPolarHBondContact O-CA 3.44Å; F329-V440 HydrophobicContact CB-CG1 4.22Å; L338-V440 HydrophobicContact CD1-CG2 3.5Å; L338-V440 HydrophobicContact CD2-CG2 3.8Å; L338-V440 HydrophobicContact CG-CG2 4.32Å; I348-V440 HydrophobicContact CG2-CG2 3.95Å; T349-V440 PolarHBondContact O-N 3.03Å; I350-V440 CarbonylContact C-O 3.51Å; I350-V440 WeakPolarHBondContact CA-O 3.23Å; I350-V440 HydrophobicContact CG1-CB 4.16Å; I351-V440 PolarHBondContact N-O 2.65Å; L360-V440 HydrophobicContact CD1-CG1 4.01Å
441	A	97.8	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.6	174.8	0	0	0	0	0	110.4	T326 T327 V328	T326-A441 HydrophobicContact CG2-CB 4.4Å; T327-A441 PolarHBondContact O-N 3.25Å; V328-A441 HydrophobicContact CG2-CB 4.42Å
442	A	97.2	Very high	97.4	Very high	12 Å²	12	35 Å²	35	10%	0.099	19%	0.186	C	C	.	.			trans	-128.7	60.8	179.4	0	0	0	0	0	110.4	I351 L356	I351-A442 PolarHBondContact O-N 2.81Å; L356-A442 HydrophobicContact CD2-CB 4.46Å; L356-A442 HydrophobicContact CG-CB 4.43Å
443	V	94.9	Very high	97.3	Very high	45 Å²	45	39.2 Å²	39.2	27%	0.273	21%	0.207	S	C	.	.			trans	-110	24.2	-169	-62.5	0	0	0	0	114.3	R310 L312 I351	R310-V443 HydrophobicContact CB-CG2 4Å; R310-V443 VanDerWaalsContact O-CG2 3.29Å; R310-V443 WeakPolarHBondContact O-CG2 3.45Å; L312-V443 HydrophobicContact CD2-CG1 4.22Å; L312-V443 HydrophobicContact CD2-CG2 4.29Å; L312-V443 HydrophobicContact CG-CG1 4.38Å; L312-V443 HydrophobicContact CG-CG2 4.35Å; I351-V443 HydrophobicContact CG2-CG1 4.49Å; I351-V443 WeakPolarHBondContact O-CG1 3.49Å
444	G	91.8	Very high	97.3	Very high	36 Å²	36	37.4 Å²	37.4	37%	0.371	20%	0.198	S	C	.	.			trans	102.2	-174.2	176.5	0	0	0	0	0	113.9	R310	R310-G444 PolarHBondContact N-O 3.25Å
445	L	93.5	Very high	97.3	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149	-173.5	-167.4	82.6	0	0	0	110	P309 D483 E498	P309-L445 HydrophobicContact CB-CD1 4.3Å; P309-L445 HydrophobicContact CG-CD1 4.32Å; L445-D483 HydrophobicContact CD2-CB 4.07Å; L445-E498 WeakPolarHBondContact CB-OE2 3.35Å; L445-E498 HydrophobicContact CD2-CG 3.83Å
446	E	96	Very high	97.3	Very high	83 Å²	83	34.3 Å²	34.3	39%	0.388	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.6	160.4	-69.2	-63.5	165.6	0	0	109.6	G307 V308 R310	G307-E446 CarbonylContact C-O 3.5Å; G307-E446 WeakPolarHBondContact CA-O 3.31Å; V308-E446 PolarHBondContact N-O 3.14Å; V308-E446 PolarHBondContact O-N 3.21Å; R310-E446 HydrophobicContact CG-CG 3.86Å; R310-E446 IonicContact CZ-OE1 2.72Å; R310-E446 IonicContact NE-OE1 2.64Å; R310-E446 PolarHBondContact NE-OE1 3.16Å; R310-E446 IonicContact NH2-OE1 2.7Å; R310-E446 PolarHBondContact NH2-OE1 3.08Å; R310-E446 IonicContact NH2-OE2 3.46Å
447	P	98	Very high	97.3	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.2	173.5	24.9	-29.9	0	0	0	110.7	V449	P447-V449 HydrophobicContact CB-CG1 4.27Å; P447-V449 HydrophobicContact CG-CG1 4.41Å; P447-V449 PolarHBondContact O-N 3.15Å
448	N	98.1	Very high	97.3	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.123	22%	0.221	C	C	.	.			trans	-80.4	94.5	-179.8	-175.5	-12.6	0	0	0	109.8	T305 G306 V308 D450 Y466	T305-N448 WeakPolarHBondContact O-CB 3.47Å; T305-N448 PolarHBondContact OG1-O 2.9Å; G306-N448 PolarHBondContact O-N 2.82Å; V308-N448 HydrophobicContact CG2-CB 4.13Å; N448-D450 WeakPolarHBondContact OD1-CB 3.31Å; N448-D450 VanDerWaalsContact OD1-CG 3.32Å; N448-D450 PolarHBondContact OD1-N 3.12Å; N448-Y466 WeakPolarHBondContact O-CE2 3.12Å
449	V	98.3	Very high	97.3	Very high	43 Å²	43	40.1 Å²	40.1	26%	0.261	23%	0.232	S	C	.	.			trans	-105.3	21	-177.9	-61.9	0	0	0	0	113.3	P447 L451 A452 V459 Y466	P447-V449 HydrophobicContact CB-CG1 4.27Å; P447-V449 HydrophobicContact CG-CG1 4.41Å; P447-V449 PolarHBondContact O-N 3.15Å; V449-L451 PolarHBondContact O-N 3Å; V449-L451 VanDerWaalsContact O-N 3.09Å; V449-A452 HydrophobicContact CB-CB 4.29Å; V449-A452 VanDerWaalsContact O-CB 3.22Å; V449-A452 WeakPolarHBondContact O-CB 3.46Å; V449-A452 PolarHBondContact O-N 2.95Å; V449-V459 HydrophobicContact CB-CG1 4.48Å; V449-V459 HydrophobicContact CB-CG2 3.89Å; V449-V459 HydrophobicContact CG1-CG1 4.09Å; V449-V459 HydrophobicContact CG1-CG2 3.95Å; V449-V459 HydrophobicContact CG2-CG1 4.36Å; V449-V459 HydrophobicContact CG2-CG2 4.36Å; V449-Y466 WeakPolarHBondContact CA-OH 3.38Å; V449-Y466 HydrophobicContact CB-CE2 4.26Å; V449-Y466 HydrophobicContact CG1-CD2 4.08Å; V449-Y466 HydrophobicContact CG1-CE2 3.86Å
450	D	97.4	Very high	97.3	Very high	96 Å²	96	40.7 Å²	40.7	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.6	-176.8	-77.3	-5.2	0	0	0	112.6	K277 N448	K277-D450 IonicContact NZ-OD2 2.68Å; K277-D450 PolarHBondContact NZ-OD2 3.06Å; N448-D450 WeakPolarHBondContact OD1-CB 3.31Å; N448-D450 VanDerWaalsContact OD1-CG 3.32Å; N448-D450 PolarHBondContact OD1-N 3.12Å
451	L	98.3	Very high	97.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.8	-179.1	-60.3	179	0	0	0	114	I182 V278 V449 K453 S454 A455 Y466	I182-L451 HydrophobicContact CD1-CD1 3.96Å; I182-L451 HydrophobicContact CG2-CD1 4Å; V278-L451 HydrophobicContact CB-CD1 4.37Å; V278-L451 HydrophobicContact CG1-CD1 3.96Å; V278-L451 HydrophobicContact CG1-CD2 3.93Å; V449-L451 PolarHBondContact O-N 3Å; V449-L451 VanDerWaalsContact O-N 3.09Å; L451-K453 PolarHBondContact O-N 2.96Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.43Å; L451-S454 VanDerWaalsContact O-OG 3.12Å; L451-A455 WeakPolarHBondContact O-CB 3.4Å; L451-A455 PolarHBondContact O-N 3.29Å; L451-Y466 PolarHBondContact N-OH 3.24Å
452	A	97.9	Very high	97.1	Very high	11 Å²	11	52.4 Å²	52.4	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-38.8	-175.1	0	0	0	0	0	112.6	V449 G456 L457 V459 Y466	V449-A452 HydrophobicContact CB-CB 4.29Å; V449-A452 VanDerWaalsContact O-CB 3.22Å; V449-A452 WeakPolarHBondContact O-CB 3.46Å; V449-A452 PolarHBondContact O-N 2.95Å; A452-G456 WeakPolarHBondContact O-CA 3.16Å; A452-G456 PolarHBondContact O-N 2.91Å; A452-L457 PolarHBondContact O-N 2.84Å; A452-V459 HydrophobicContact CB-CG2 3.41Å; A452-V459 VanDerWaalsContact CB-CG2 3.41Å; A452-Y466 HydrophobicContact CB-CD1 4.26Å; A452-Y466 HydrophobicContact CB-CE1 3.6Å; A452-Y466 PolarHBondContact N-OH 2.89Å
453	K	97.3	Very high	97	Very high	200 Å²	200	57 Å²	57	87%	0.87	32%	0.324	S	S	*	.	H	α-helix	trans	-67.6	-47.6	-177.8	-175.8	-179.5	177.2	-175.6	0	112.4	L451	L451-K453 PolarHBondContact O-N 2.96Å
454	S	98.1	Very high	97.1	Very high	39 Å²	39	55.5 Å²	55.5	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-39.9	178.7	47.1	0	0	0	0	111.3	H280 M281 L451 G456	H280-S454 VanDerWaalsContact CE1-CB 3.5Å; H280-S454 WeakPolarHBondContact CE1-CB 3.39Å; H280-S454 WeakPolarHBondContact ND1-CB 3.41Å; M281-S454 PolarHBondContact N-OG 3.03Å; M281-S454 CarbonylContact O-C 3.07Å; L451-S454 PolarHBondContact O-N 3.01Å; L451-S454 PolarHBondContact O-OG 3.43Å; L451-S454 VanDerWaalsContact O-OG 3.12Å; S454-G456 VanDerWaalsContact C-N 3.29Å; S454-G456 PolarHBondContact O-N 2.8Å
455	A	97.6	Very high	97.4	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-75.3	-14.1	-180	0	0	0	0	0	114.1	M281 V283 L451 L457	M281-A455 HydrophobicContact CB-CB 4.03Å; M281-A455 HydrophobicContact CG-CB 4.06Å; M281-A455 WeakPolarHBondContact O-CA 3.42Å; M281-A455 PolarHBondContact O-N 2.88Å; M281-A455 HydrophobicContact SD-CB 3.89Å; V283-A455 HydrophobicContact CG2-CB 3.68Å; V283-A455 WeakPolarHBondContact CG2-O 3.23Å; L451-A455 WeakPolarHBondContact O-CB 3.4Å; L451-A455 PolarHBondContact O-N 3.29Å; A455-L457 HydrophobicContact CB-CB 4.46Å; A455-L457 HydrophobicContact CB-CD1 3.87Å; A455-L457 HydrophobicContact CB-CG 3.64Å; A455-L457 PolarHBondContact O-N 2.56Å
456	G	98.3	Very high	97.7	Very high	50 Å²	50	53.3 Å²	53.3	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	32.2	-172.6	0	0	0	0	0	113.1	A452 S454 R475	A452-G456 WeakPolarHBondContact O-CA 3.16Å; A452-G456 PolarHBondContact O-N 2.91Å; S454-G456 VanDerWaalsContact C-N 3.29Å; S454-G456 PolarHBondContact O-N 2.8Å; G456-R475 PolarHBondContact O-NH2 2.81Å
457	L	98.5	Very high	97.8	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.063	30%	0.295	C	S	.	.			trans	-90.1	145.9	179.7	-61.7	179.6	0	0	0	111.1	I303 A452 A455 Y466 A474 R475 I478	I303-L457 HydrophobicContact CD1-CD1 3.54Å; A452-L457 PolarHBondContact O-N 2.84Å; A455-L457 HydrophobicContact CB-CB 4.46Å; A455-L457 HydrophobicContact CB-CD1 3.87Å; A455-L457 HydrophobicContact CB-CG 3.64Å; A455-L457 PolarHBondContact O-N 2.56Å; L457-Y466 HydrophobicContact CB-CD1 3.97Å; L457-Y466 HydrophobicContact CB-CE1 4.27Å; L457-Y466 HydrophobicContact CD1-CD1 4.11Å; L457-Y466 HydrophobicContact CD1-CE1 4.16Å; L457-A474 HydrophobicContact CD1-CB 4.27Å; L457-A474 HydrophobicContact CD2-CB 4.17Å; L457-R475 HydrophobicContact CD2-CG 3.66Å; L457-I478 HydrophobicContact CD1-CG2 4.47Å
458	E	98.5	Very high	97.8	Very high	108 Å²	108	53 Å²	53	51%	0.505	29%	0.292	S	S	.	.			trans	-77	133.1	-179.3	-170.6	-177.6	173.3	0	0	110.8	Y466 R467	E458-Y466 WeakPolarHBondContact O-CA 3.46Å; E458-R467 HydrophobicContact CB-CB 4.47Å; E458-R467 HydrophobicContact CG-CB 4.44Å; E458-R467 HydrophobicContact CG-CG 4.29Å; E458-R467 PolarHBondContact O-N 2.88Å; E458-R467 WeakPolarHBondContact OE1-CD 3.32Å; E458-R467 IonicContact OE1-CZ 2.81Å; E458-R467 IonicContact OE1-NE 3.62Å; E458-R467 IonicContact OE1-NH1 2.62Å; E458-R467 PolarHBondContact OE1-NH1 2.93Å; E458-R467 IonicContact OE2-NH1 2.73Å
459	V	98.6	Very high	97.8	Very high	53 Å²	53	55.1 Å²	55.1	32%	0.321	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-114.5	135	173.7	175	0	0	0	0	108.3	V449 A452 S461 G465 Y466	V449-V459 HydrophobicContact CB-CG1 4.48Å; V449-V459 HydrophobicContact CB-CG2 3.89Å; V449-V459 HydrophobicContact CG1-CG1 4.09Å; V449-V459 HydrophobicContact CG1-CG2 3.95Å; V449-V459 HydrophobicContact CG2-CG1 4.36Å; V449-V459 HydrophobicContact CG2-CG2 4.36Å; A452-V459 HydrophobicContact CB-CG2 3.41Å; A452-V459 VanDerWaalsContact CB-CG2 3.41Å; V459-S461 PolarHBondContact O-N 3Å; V459-G465 CarbonylContact C-O 3.59Å; V459-G465 VanDerWaalsContact CA-O 3.31Å; V459-G465 WeakPolarHBondContact CA-O 3.33Å; V459-G465 WeakPolarHBondContact CG1-O 3.28Å; V459-Y466 HydrophobicContact CG2-CD1 4.45Å
460	D	98.4	Very high	97.8	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.064	31%	0.312	C	S	.	.			trans	-72.3	125.4	178.1	-160.7	-82.1	0	0	0	110.3	D462 F463 G464 G465 R467 C486	D460-D462 VanDerWaalsContact C-N 3.34Å; D460-D462 PolarHBondContact OD1-N 3.25Å; D460-D462 VanDerWaalsContact OD1-N 3.13Å; D460-F463 WeakPolarHBondContact OD1-CD2 3.49Å; D460-F463 PolarHBondContact OD1-N 3.48Å; D460-F463 VanDerWaalsContact OD1-N 3.08Å; D460-G464 WeakPolarHBondContact O-CA 3.24Å; D460-G464 PolarHBondContact O-N 3.07Å; D460-G465 PolarHBondContact N-O 2.78Å; D460-R467 HydrophobicContact CB-CG 3.76Å; D460-R467 IonicContact OD2-CZ 3.14Å; D460-R467 IonicContact OD2-NE 2.71Å; D460-R467 PolarHBondContact OD2-NE 2.95Å; D460-R467 IonicContact OD2-NH2 3.44Å; D460-C486 HydrophobicContact CB-CB 4.03Å; D460-C486 VanDerWaalsContact CB-SG 3.59Å
461	S	96.6	Very high	97.9	Very high	113 Å²	113	53.6 Å²	53.6	79%	0.79	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.1	-176.5	54.9	0	0	0	0	113.8	V459	V459-S461 PolarHBondContact O-N 3Å
462	D	95.5	Very high	97.9	Very high	134 Å²	134	53.5 Å²	53.5	72%	0.717	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-43.4	-169.9	-59.4	-19.1	0	0	0	110.4	D460	D460-D462 VanDerWaalsContact C-N 3.34Å; D460-D462 PolarHBondContact OD1-N 3.25Å; D460-D462 VanDerWaalsContact OD1-N 3.13Å
463	F	94.8	Very high	98	Very high	108 Å²	108	54.7 Å²	54.7	47%	0.474	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-12.8	-178.8	-56.5	-69.7	0	0	0	114	D460 R494 R496	D460-F463 WeakPolarHBondContact OD1-CD2 3.49Å; D460-F463 PolarHBondContact OD1-N 3.48Å; D460-F463 VanDerWaalsContact OD1-N 3.08Å; F463-R494 HydrophobicContact CD2-CB 4.2Å; F463-R494 HydrophobicContact CE2-CB 4.13Å; F463-R494 WeakPolarHBondContact CE2-O 3.41Å; F463-R496 PolarHBondContact O-NE 2.89Å; F463-R496 VanDerWaalsContact O-NE 3.07Å
464	G	97.4	Very high	98	Very high	14 Å²	14	45.8 Å²	45.8	14%	0.144	27%	0.267	C	S	.	.			trans	72.7	167.1	-169.8	0	0	0	0	0	112.8	D460 C486	D460-G464 WeakPolarHBondContact O-CA 3.24Å; D460-G464 PolarHBondContact O-N 3.07Å; G464-C486 WeakPolarHBondContact O-CB 3.32Å
465	G	98.5	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	91	163.4	173.5	0	0	0	0	0	113.5	V459 D460 R467 A484	V459-G465 CarbonylContact C-O 3.59Å; V459-G465 VanDerWaalsContact CA-O 3.31Å; V459-G465 WeakPolarHBondContact CA-O 3.33Å; V459-G465 WeakPolarHBondContact CG1-O 3.28Å; D460-G465 PolarHBondContact N-O 2.78Å; G465-R467 PolarHBondContact O-N 2.86Å; G465-A484 CarbonylContact C-O 3.45Å; G465-A484 VanDerWaalsContact CA-O 3.27Å; G465-A484 WeakPolarHBondContact CA-O 3.4Å
466	Y	98.8	Very high	98.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.5	-178.6	-60.3	-90.5	0	0	0	110.3	I303 N448 V449 L451 A452 L457 E458 V459 V468 V480 A484 C486	I303-Y466 HydrophobicContact CD1-CE1 4.3Å; I303-Y466 HydrophobicContact CG2-CD2 4.23Å; I303-Y466 HydrophobicContact CG2-CE2 3.7Å; N448-Y466 WeakPolarHBondContact O-CE2 3.12Å; V449-Y466 WeakPolarHBondContact CA-OH 3.38Å; V449-Y466 HydrophobicContact CB-CE2 4.26Å; V449-Y466 HydrophobicContact CG1-CD2 4.08Å; V449-Y466 HydrophobicContact CG1-CE2 3.86Å; L451-Y466 PolarHBondContact N-OH 3.24Å; A452-Y466 HydrophobicContact CB-CD1 4.26Å; A452-Y466 HydrophobicContact CB-CE1 3.6Å; A452-Y466 PolarHBondContact N-OH 2.89Å; L457-Y466 HydrophobicContact CB-CD1 3.97Å; L457-Y466 HydrophobicContact CB-CE1 4.27Å; L457-Y466 HydrophobicContact CD1-CD1 4.11Å; L457-Y466 HydrophobicContact CD1-CE1 4.16Å; E458-Y466 WeakPolarHBondContact O-CA 3.46Å; V459-Y466 HydrophobicContact CG2-CD1 4.45Å; Y466-V468 PolarHBondContact O-N 2.96Å; Y466-V480 HydrophobicContact CD2-CG1 3.84Å; Y466-V480 HydrophobicContact CG-CG1 4.25Å; Y466-V480 HydrophobicContact CG-CG2 4.19Å; Y466-A484 HydrophobicContact CD2-CB 4.17Å; Y466-A484 WeakPolarHBondContact CD2-O 3.42Å; Y466-A484 HydrophobicContact CE2-CB 4.33Å; Y466-A484 PolarHBondContact N-O 2.92Å; Y466-C486 PolarHBondContact O-N 3.44Å
467	R	98.8	Very high	98.1	Very high	84 Å²	84	52 Å²	52	32%	0.317	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.1	174.3	-65.6	-175.9	103.7	-155	-2.4	109.8	E458 D460 G465	E458-R467 HydrophobicContact CB-CB 4.47Å; E458-R467 HydrophobicContact CG-CB 4.44Å; E458-R467 HydrophobicContact CG-CG 4.29Å; E458-R467 PolarHBondContact O-N 2.88Å; E458-R467 WeakPolarHBondContact OE1-CD 3.32Å; E458-R467 IonicContact OE1-CZ 2.81Å; E458-R467 IonicContact OE1-NE 3.62Å; E458-R467 IonicContact OE1-NH1 2.62Å; E458-R467 PolarHBondContact OE1-NH1 2.93Å; E458-R467 IonicContact OE2-NH1 2.73Å; D460-R467 HydrophobicContact CB-CG 3.76Å; D460-R467 IonicContact OD2-CZ 3.14Å; D460-R467 IonicContact OD2-NE 2.71Å; D460-R467 PolarHBondContact OD2-NE 2.95Å; D460-R467 IonicContact OD2-NH2 3.44Å; G465-R467 PolarHBondContact O-N 2.86Å
468	V	98.8	Very high	98.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.281	C	S	.	.			trans	-124.1	155.8	177.8	-65.3	0	0	0	0	112.5	Y466 L472 Q473 A474 V480 C486 F487 R494	Y466-V468 PolarHBondContact O-N 2.96Å; V468-L472 WeakPolarHBondContact CG1-O 3.22Å; V468-L472 HydrophobicContact CG2-CD2 3.99Å; V468-Q473 CarbonylContact C-O 3.39Å; V468-Q473 VanDerWaalsContact CA-O 3.28Å; V468-Q473 WeakPolarHBondContact CA-O 3.17Å; V468-A474 HydrophobicContact CG1-CB 4.38Å; V468-V480 HydrophobicContact CG1-CB 3.64Å; V468-V480 HydrophobicContact CG1-CG2 3.65Å; V468-C486 PolarHBondContact N-O 2.93Å; V468-F487 HydrophobicContact CG2-CB 3.99Å; V468-R494 PolarHBondContact O-NH1 3.12Å; V468-R494 PolarHBondContact O-NH2 3.45Å
469	N	98.3	Very high	98.1	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.353	26%	0.259	S	S	.	.			trans	-74.6	-173.8	170.8	73.8	5.8	0	0	0	111.5	E471 L472 Q473	N469-E471 PolarHBondContact O-N 2.94Å; N469-E471 WeakPolarHBondContact OD1-CA 3.39Å; N469-E471 PolarHBondContact OD1-N 3.41Å; N469-L472 PolarHBondContact O-N 3.17Å; N469-L472 VanDerWaalsContact O-N 3.12Å; N469-L472 PolarHBondContact OD1-N 2.91Å; N469-Q473 PolarHBondContact N-O 3.21Å; N469-Q473 PolarHBondContact ND2-OE1 2.95Å; N469-Q473 WeakPolarHBondContact OD1-CB 3.4Å; N469-Q473 PolarHBondContact OD1-N 3.07Å
470	A	98.1	Very high	98.2	Very high	53 Å²	53	44.2 Å²	44.2	44%	0.438	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.5	179.6	0	0	0	0	0	113.4	L472 P520 Y521	A470-L472 VanDerWaalsContact C-N 3.28Å; A470-P520 HydrophobicContact CB-CB 4.2Å; A470-P520 CarbonylContact O-C 3.58Å; A470-P520 VanDerWaalsContact O-CA 3.3Å; A470-P520 WeakPolarHBondContact O-CA 3.34Å; A470-Y521 PolarHBondContact O-N 3.41Å
471	E	98.6	Very high	98.2	Very high	55 Å²	55	43.6 Å²	43.6	26%	0.257	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.6	179.5	-63.7	177.9	-164.5	0	0	112.6	N469 Q473 W479 N513	N469-E471 PolarHBondContact O-N 2.94Å; N469-E471 WeakPolarHBondContact OD1-CA 3.39Å; N469-E471 PolarHBondContact OD1-N 3.41Å; E471-Q473 VanDerWaalsContact C-N 3.26Å; E471-Q473 HydrophobicContact CB-CG 4.44Å; E471-Q473 PolarHBondContact O-N 3.26Å; E471-W479 PolarHBondContact O-NE1 3.49Å; E471-N513 PolarHBondContact O-ND2 3.01Å
472	L	98.8	Very high	98.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	67	17.8	-176.7	-53.2	177	0	0	0	114.9	V468 N469 A470 W479 V480 F487 S506 L509 Y521	V468-L472 WeakPolarHBondContact CG1-O 3.22Å; V468-L472 HydrophobicContact CG2-CD2 3.99Å; N469-L472 PolarHBondContact O-N 3.17Å; N469-L472 VanDerWaalsContact O-N 3.12Å; N469-L472 PolarHBondContact OD1-N 2.91Å; A470-L472 VanDerWaalsContact C-N 3.28Å; L472-W479 CarbonylContact O-C 3.36Å; L472-W479 VanDerWaalsContact O-CA 3.23Å; L472-W479 WeakPolarHBondContact O-CA 3.26Å; L472-V480 PolarHBondContact O-N 2.93Å; L472-F487 HydrophobicContact CD2-CB 4.12Å; L472-S506 WeakPolarHBondContact CD1-O 3.42Å; L472-L509 HydrophobicContact CD1-CB 4.26Å; L472-L509 HydrophobicContact CD1-CD2 3.96Å; L472-L509 HydrophobicContact CD1-CG 4.33Å; L472-L509 HydrophobicContact CG-CD2 4.29Å; L472-Y521 HydrophobicContact CD1-CD2 4.12Å; L472-Y521 HydrophobicContact CD1-CG 4.38Å; L472-Y521 HydrophobicContact CD2-CD1 4.35Å; L472-Y521 HydrophobicContact CD2-CG 3.97Å; L472-Y521 HydrophobicContact CG-CG 4.41Å
473	Q	98.8	Very high	98.4	Very high	36 Å²	36	32.8 Å²	32.8	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.9	177.4	-66.1	169.9	-32.1	0	0	112	V468 N469 E471 R475 I478 W479	V468-Q473 CarbonylContact C-O 3.39Å; V468-Q473 VanDerWaalsContact CA-O 3.28Å; V468-Q473 WeakPolarHBondContact CA-O 3.17Å; N469-Q473 PolarHBondContact N-O 3.21Å; N469-Q473 PolarHBondContact ND2-OE1 2.95Å; N469-Q473 WeakPolarHBondContact OD1-CB 3.4Å; N469-Q473 PolarHBondContact OD1-N 3.07Å; E471-Q473 VanDerWaalsContact C-N 3.26Å; E471-Q473 HydrophobicContact CB-CG 4.44Å; E471-Q473 PolarHBondContact O-N 3.26Å; Q473-R475 WeakPolarHBondContact CB-O 3.34Å; Q473-I478 CarbonylContact C-O 3.56Å; Q473-I478 WeakPolarHBondContact CA-O 3.36Å; Q473-W479 HydrophobicContact CG-CD2 4.16Å; Q473-W479 HydrophobicContact CG-CG 4.25Å; Q473-W479 HydrophobicContact CG-CZ2 3.99Å
474	A	98.7	Very high	98.6	Very high	14 Å²	14	27.6 Å²	27.6	12%	0.116	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-28.9	162	0	0	0	0	0	111.7	L457 V468 I478 V480	L457-A474 HydrophobicContact CD1-CB 4.27Å; L457-A474 HydrophobicContact CD2-CB 4.17Å; V468-A474 HydrophobicContact CG1-CB 4.38Å; A474-I478 HydrophobicContact CB-CG2 4.47Å; A474-I478 PolarHBondContact N-O 3.17Å; A474-V480 HydrophobicContact CB-CG2 3.89Å
475	R	98.6	Very high	98.7	Very high	102 Å²	102	27 Å²	27	39%	0.385	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.1	170.8	-65.8	-66.3	-175	-92.9	1.7	109.7	V283 G456 L457 Q473 N477 I478	V283-R475 HydrophobicContact CG1-CG 4.01Å; G456-R475 PolarHBondContact O-NH2 2.81Å; L457-R475 HydrophobicContact CD2-CG 3.66Å; Q473-R475 WeakPolarHBondContact CB-O 3.34Å; R475-N477 PolarHBondContact O-N 2.86Å; R475-N477 VanDerWaalsContact O-N 3.08Å; R475-I478 HydrophobicContact CB-CB 4.05Å; R475-I478 HydrophobicContact CB-CD1 4.02Å; R475-I478 HydrophobicContact CB-CG1 4.19Å; R475-I478 HydrophobicContact CG-CD1 4.08Å; R475-I478 PolarHBondContact N-O 2.81Å; R475-I478 VanDerWaalsContact N-O 3.14Å; R475-I478 PolarHBondContact O-N 3.24Å; R475-I478 VanDerWaalsContact O-N 3.16Å; R475-I478 VanDerWaalsContact O-O 3.08Å
476	S	98.2	Very high	98.7	Very high	102 Å²	102	27 Å²	27	71%	0.713	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.9	-177.4	48.3	0	0	0	0	114.7
477	N	98.8	Very high	98.7	Very high	24 Å²	24	27 Å²	27	13%	0.128	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	17.1	178.4	67.9	-31.1	0	0	0	113.3	N286 D299 C301 R475 W479	N286-N477 PolarHBondContact OD1-ND2 2.84Å; D299-N477 WeakPolarHBondContact O-CB 3.25Å; D299-N477 PolarHBondContact O-ND2 2.7Å; C301-N477 PolarHBondContact N-O 3.25Å; R475-N477 PolarHBondContact O-N 2.86Å; R475-N477 VanDerWaalsContact O-N 3.08Å; N477-W479 VanDerWaalsContact CA-CZ3 3.47Å; N477-W479 WeakPolarHBondContact O-CZ3 3.33Å
478	I	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121	179.3	-55.6	167.2	0	0	0	109.4	M281 V283 C301 I303 L457 Q473 A474 R475	M281-I478 HydrophobicContact CE-CD1 3.41Å; M281-I478 VanDerWaalsContact CE-CD1 3.41Å; M281-I478 HydrophobicContact CE-CG1 3.81Å; M281-I478 HydrophobicContact CE-CG2 4.04Å; M281-I478 HydrophobicContact SD-CD1 4.5Å; V283-I478 HydrophobicContact CB-CD1 4.19Å; V283-I478 HydrophobicContact CG1-CD1 3.74Å; V283-I478 HydrophobicContact CG2-CD1 3.63Å; C301-I478 HydrophobicContact CB-CG1 4.35Å; C301-I478 WeakPolarHBondContact O-CA 3.49Å; I303-I478 HydrophobicContact CD1-CG2 3.9Å; I303-I478 HydrophobicContact CG1-CG2 4.08Å; L457-I478 HydrophobicContact CD1-CG2 4.47Å; Q473-I478 CarbonylContact C-O 3.56Å; Q473-I478 WeakPolarHBondContact CA-O 3.36Å; A474-I478 HydrophobicContact CB-CG2 4.47Å; A474-I478 PolarHBondContact N-O 3.17Å; R475-I478 HydrophobicContact CB-CB 4.05Å; R475-I478 HydrophobicContact CB-CD1 4.02Å; R475-I478 HydrophobicContact CB-CG1 4.19Å; R475-I478 HydrophobicContact CG-CD1 4.08Å; R475-I478 PolarHBondContact N-O 2.81Å; R475-I478 VanDerWaalsContact N-O 3.14Å; R475-I478 PolarHBondContact O-N 3.24Å; R475-I478 VanDerWaalsContact O-N 3.16Å; R475-I478 VanDerWaalsContact O-O 3.08Å
479	W	98.9	Very high	98.2	Very high	8 Å²	8	29.3 Å²	29.3	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	160.6	175.3	-70.2	-101.6	0	0	0	111.3	K300 C301 L302 I303 E471 L472 Q473 N477 A510 N513 M514	K300-W479 HydrophobicContact CB-CZ3 4.07Å; K300-W479 HydrophobicContact CD-CZ3 4.45Å; K300-W479 HydrophobicContact CG-CZ3 4.1Å; C301-W479 PolarHBondContact O-N 3.41Å; L302-W479 HydrophobicContact CD1-CB 3.86Å; I303-W479 PolarHBondContact N-O 3.27Å; E471-W479 PolarHBondContact O-NE1 3.49Å; L472-W479 CarbonylContact O-C 3.36Å; L472-W479 VanDerWaalsContact O-CA 3.23Å; L472-W479 WeakPolarHBondContact O-CA 3.26Å; Q473-W479 HydrophobicContact CG-CD2 4.16Å; Q473-W479 HydrophobicContact CG-CG 4.25Å; Q473-W479 HydrophobicContact CG-CZ2 3.99Å; N477-W479 VanDerWaalsContact CA-CZ3 3.47Å; N477-W479 WeakPolarHBondContact O-CZ3 3.33Å; W479-A510 HydrophobicContact CB-CB 4.09Å; W479-A510 HydrophobicContact CG-CB 4.44Å; W479-N513 HydrophobicContact CZ2-CB 4.42Å; W479-M514 HydrophobicContact CD2-CG 3.69Å; W479-M514 HydrophobicContact CE3-CG 3.4Å; W479-M514 HydrophobicContact CE3-SD 4.26Å; W479-M514 HydrophobicContact CG-CG 4.32Å; W479-M514 HydrophobicContact CH2-CG 4.18Å; W479-M514 HydrophobicContact CZ2-CG 4.4Å; W479-M514 HydrophobicContact CZ3-CG 3.66Å
480	V	98.9	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135	172.2	-164.8	0	0	0	0	109.8	I303 Y466 V468 L472 A474 A484 A485	I303-V480 HydrophobicContact CB-CG1 4.22Å; I303-V480 HydrophobicContact CB-CG2 4.19Å; I303-V480 HydrophobicContact CG2-CG1 4.37Å; I303-V480 VanDerWaalsContact O-CA 3.28Å; I303-V480 WeakPolarHBondContact O-CA 3.06Å; I303-V480 VanDerWaalsContact O-CG1 3.27Å; I303-V480 WeakPolarHBondContact O-CG1 3.43Å; Y466-V480 HydrophobicContact CD2-CG1 3.84Å; Y466-V480 HydrophobicContact CG-CG1 4.25Å; Y466-V480 HydrophobicContact CG-CG2 4.19Å; V468-V480 HydrophobicContact CG1-CB 3.64Å; V468-V480 HydrophobicContact CG1-CG2 3.65Å; L472-V480 PolarHBondContact O-N 2.93Å; A474-V480 HydrophobicContact CB-CG2 3.89Å; V480-A484 HydrophobicContact CG1-CB 4.06Å; V480-A485 HydrophobicContact CB-CB 4.2Å; V480-A485 HydrophobicContact CG1-CB 3.93Å
481	A	98.9	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.			trans	-138.7	166.1	-179.9	0	0	0	0	0	112.4	A187 L302 I303 A510	A187-A481 HydrophobicContact CB-CB 3.98Å; L302-A481 HydrophobicContact CD1-CB 3.9Å; I303-A481 PolarHBondContact O-N 3.48Å; I303-A481 VanDerWaalsContact O-N 3.15Å; A481-A510 HydrophobicContact CB-CB 4.41Å
482	G	98.7	Very high	96.3	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	66.4	-155.5	-179.3	0	0	0	0	0	113.7	A484 A485 H502 S506	G482-A484 PolarHBondContact O-N 2.89Å; G482-A485 PolarHBondContact O-N 2.67Å; G482-H502 PolarHBondContact O-CE1 3.48Å; G482-S506 PolarHBondContact N-OG 3.4Å
483	D	98.6	Very high	96	Very high	16 Å²	16	34.9 Å²	34.9	9%	0.086	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.6	-22.4	-170.7	-52.4	-13.2	0	0	0	114.1	R330 L445 R496	R330-D483 IonicContact CZ-OD2 3.64Å; R330-D483 IonicContact NH2-OD2 3.77Å; R330-D483 PolarHBondContact NH2-OD2 3.35Å; L445-D483 HydrophobicContact CD2-CB 4.07Å; D483-R496 VanDerWaalsContact O-CD 3.29Å; D483-R496 WeakPolarHBondContact O-CD 3.29Å; D483-R496 WeakPolarHBondContact O-CG 3.34Å
484	A	98.7	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-78.9	-17.4	-179.1	0	0	0	0	0	113.6	G465 Y466 V480 G482	G465-A484 CarbonylContact C-O 3.45Å; G465-A484 VanDerWaalsContact CA-O 3.27Å; G465-A484 WeakPolarHBondContact CA-O 3.4Å; Y466-A484 HydrophobicContact CD2-CB 4.17Å; Y466-A484 WeakPolarHBondContact CD2-O 3.42Å; Y466-A484 HydrophobicContact CE2-CB 4.33Å; Y466-A484 PolarHBondContact N-O 2.92Å; V480-A484 HydrophobicContact CG1-CB 4.06Å; G482-A484 PolarHBondContact O-N 2.89Å
485	A	98.8	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.1	-174.4	0	0	0	0	0	112.2	V480 G482	V480-A485 HydrophobicContact CB-CB 4.2Å; V480-A485 HydrophobicContact CG1-CB 3.93Å; G482-A485 PolarHBondContact O-N 2.67Å
486	C	98.6	Very high	95.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	90.2	162.9	-171.3	0	0	0	0	108.7	D460 G464 Y466 V468 R494 R495	D460-C486 HydrophobicContact CB-CB 4.03Å; D460-C486 VanDerWaalsContact CB-SG 3.59Å; G464-C486 WeakPolarHBondContact O-CB 3.32Å; Y466-C486 PolarHBondContact O-N 3.44Å; V468-C486 PolarHBondContact N-O 2.93Å; C486-R494 PolarHBondContact O-NH1 2.79Å; C486-R495 CarbonylContact C-O 3.54Å; C486-R495 WeakPolarHBondContact CA-O 3.48Å
487	F	98.4	Very high	95.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	170.4	-176	66.2	-84.2	0	0	0	111.7	V468 L472 D489 R494 R495 V497 H502 Y521	V468-F487 HydrophobicContact CG2-CB 3.99Å; L472-F487 HydrophobicContact CD2-CB 4.12Å; F487-D489 HydrophobicContact CD2-CB 4.5Å; F487-D489 HydrophobicContact CE2-CB 4.03Å; F487-R494 WeakPolarHBondContact O-CA 3.44Å; F487-R495 WeakPolarHBondContact CD1-O 3.28Å; F487-R495 HydrophobicContact CD2-CG 4.35Å; F487-R495 HydrophobicContact CE1-CG 3.95Å; F487-R495 HydrophobicContact CE2-CG 3.72Å; F487-R495 HydrophobicContact CZ-CG 3.5Å; F487-R495 PolarHBondContact N-O 2.88Å; F487-R495 PolarHBondContact O-N 2.93Å; F487-V497 HydrophobicContact CE1-CG2 4.09Å; F487-V497 HydrophobicContact CZ-CG2 4.41Å; F487-H502 AromaticContact CD1-CE1 3.99Å; F487-H502 AromaticContact CD1-NE2 3.29Å; F487-H502 VanDerWaalsContact CD1-NE2 3.29Å; F487-H502 WeakPolarHBondContact CD1-NE2 3.38Å; F487-H502 AromaticContact CE1-CD2 3.59Å; F487-H502 AromaticContact CE1-CE1 3.95Å; F487-H502 AromaticContact CE1-NE2 3.22Å; F487-H502 WeakPolarHBondContact CE1-NE2 3.28Å; F487-H502 AromaticContact CZ-CD2 3.97Å; F487-H502 AromaticContact CZ-NE2 4Å; F487-Y521 AromaticContact CD2-CD1 3.68Å; F487-Y521 HydrophobicContact CD2-CD1 3.68Å; F487-Y521 AromaticContact CD2-CE1 3.81Å; F487-Y521 HydrophobicContact CD2-CE1 3.81Å; F487-Y521 HydrophobicContact CE2-CD1 4.04Å; F487-Y521 AromaticContact CE2-CE1 3.73Å; F487-Y521 HydrophobicContact CE2-CE1 3.73Å; F487-Y521 HydrophobicContact CG-CD1 4.18Å; F487-Y521 HydrophobicContact CG-CE1 4.28Å; F487-Y521 HydrophobicContact CZ-CE1 4.14Å
488	Y	96.6	Very high	95.6	Very high	129 Å²	129	32 Å²	32	51%	0.506	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107.4	175.3	-166.4	-87.4	0	0	0	109.4	R494	Y488-R494 HydrophobicContact CD2-CG 4.08Å
489	D	91	Very high	95.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.1	171.1	-174.8	-54.2	0	0	0	109.5	F487 R491 L492 G493 R495	F487-D489 HydrophobicContact CD2-CB 4.5Å; F487-D489 HydrophobicContact CE2-CB 4.03Å; D489-R491 PolarHBondContact O-N 3.41Å; D489-R491 PolarHBondContact OD1-N 2.94Å; D489-L492 HydrophobicContact CB-CB 4Å; D489-L492 PolarHBondContact O-N 2.57Å; D489-L492 PolarHBondContact OD1-N 3.41Å; D489-G493 WeakPolarHBondContact CB-O 3.31Å; D489-G493 PolarHBondContact N-O 3.22Å; D489-G493 WeakPolarHBondContact O-CA 3.15Å; D489-G493 PolarHBondContact O-N 3.02Å; D489-R495 HydrophobicContact CB-CG 4.07Å; D489-R495 IonicContact OD2-CZ 3.5Å; D489-R495 IonicContact OD2-NH1 2.8Å; D489-R495 PolarHBondContact OD2-NH1 2.84Å
490	I	83	Confident	95.5	Very high	100 Å²	100	34.2 Å²	34.2	51%	0.513	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.6	-173.3	-163.7	169.5	0	0	0	113.2
491	R	84.6	Confident	95.5	Very high	141 Å²	141	34.3 Å²	34.3	53%	0.532	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-34.8	178.3	-71.2	-57.7	-161.6	172.4	6.3	112.3	D489 K635 D636	D489-R491 PolarHBondContact O-N 3.41Å; D489-R491 PolarHBondContact OD1-N 2.94Å; R491-K635 PolarHBondContact NE-O 3.46Å; R491-K635 PolarHBondContact NH2-O 3.1Å; R491-D636 PolarHBondContact NH2-O 3.19Å
492	L	88.6	Confident	95.5	Very high	33 Å²	33	34.3 Å²	34.3	17%	0.173	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-5.4	-167.2	-54.9	176	0	0	0	114	D489 I542 V616	D489-L492 HydrophobicContact CB-CB 4Å; D489-L492 PolarHBondContact O-N 2.57Å; D489-L492 PolarHBondContact OD1-N 3.41Å; L492-I542 HydrophobicContact CB-CD1 4.26Å; L492-I542 HydrophobicContact CB-CG1 4.4Å; L492-I542 HydrophobicContact CD1-CG1 3.84Å; L492-I542 HydrophobicContact CD2-CD1 3.81Å; L492-I542 HydrophobicContact CD2-CG1 3.91Å; L492-I542 HydrophobicContact CG-CD1 4.39Å; L492-I542 HydrophobicContact CG-CG1 4.25Å; L492-V616 HydrophobicContact CD2-CB 4.35Å
493	G	92.6	Very high	95.5	Very high	17 Å²	17	34.5 Å²	34.5	18%	0.175	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-153.3	179.6	0	0	0	0	0	113	D489 R495	D489-G493 WeakPolarHBondContact CB-O 3.31Å; D489-G493 PolarHBondContact N-O 3.22Å; D489-G493 WeakPolarHBondContact O-CA 3.15Å; D489-G493 PolarHBondContact O-N 3.02Å; G493-R495 PolarHBondContact O-N 2.83Å
494	R	96.1	Very high	95.5	Very high	55 Å²	55	35.3 Å²	35.3	21%	0.208	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.1	177.9	-79.5	-69.5	179.2	-161.1	-4	110.6	F463 V468 C486 F487 Y488	F463-R494 HydrophobicContact CD2-CB 4.2Å; F463-R494 HydrophobicContact CE2-CB 4.13Å; F463-R494 WeakPolarHBondContact CE2-O 3.41Å; V468-R494 PolarHBondContact O-NH1 3.12Å; V468-R494 PolarHBondContact O-NH2 3.45Å; C486-R494 PolarHBondContact O-NH1 2.79Å; F487-R494 WeakPolarHBondContact O-CA 3.44Å; Y488-R494 HydrophobicContact CD2-CG 4.08Å
495	R	95.8	Very high	95.5	Very high	26 Å²	26	35.9 Å²	35.9	10%	0.098	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	164.2	174.7	67.8	-175.8	-82.7	-158.1	3.5	111.9	C486 F487 D489 G493	C486-R495 CarbonylContact C-O 3.54Å; C486-R495 WeakPolarHBondContact CA-O 3.48Å; F487-R495 WeakPolarHBondContact CD1-O 3.28Å; F487-R495 HydrophobicContact CD2-CG 4.35Å; F487-R495 HydrophobicContact CE1-CG 3.95Å; F487-R495 HydrophobicContact CE2-CG 3.72Å; F487-R495 HydrophobicContact CZ-CG 3.5Å; F487-R495 PolarHBondContact N-O 2.88Å; F487-R495 PolarHBondContact O-N 2.93Å; D489-R495 HydrophobicContact CB-CG 4.07Å; D489-R495 IonicContact OD2-CZ 3.5Å; D489-R495 IonicContact OD2-NH1 2.8Å; D489-R495 PolarHBondContact OD2-NH1 2.84Å; G493-R495 PolarHBondContact O-N 2.83Å
496	R	97.4	Very high	95.5	Very high	43 Å²	43	35.9 Å²	35.9	16%	0.162	16%	0.164	C	C	.	.			trans	-129.7	145.3	168.8	-175.6	-174.9	68.4	73.9	0.7	107.9	F463 D483 E498	F463-R496 PolarHBondContact O-NE 2.89Å; F463-R496 VanDerWaalsContact O-NE 3.07Å; D483-R496 VanDerWaalsContact O-CD 3.29Å; D483-R496 WeakPolarHBondContact O-CD 3.29Å; D483-R496 WeakPolarHBondContact O-CG 3.34Å; R496-E498 IonicContact CZ-OE1 2.7Å; R496-E498 VanDerWaalsContact NH1-CG 3.34Å; R496-E498 IonicContact NH1-OE1 3.05Å; R496-E498 PolarHBondContact NH1-OE1 2.93Å; R496-E498 IonicContact NH2-OE1 2.68Å; R496-E498 PolarHBondContact NH2-OE1 2.75Å
497	V	97	Very high	95.5	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.067	16%	0.164	C	C	.	.			trans	-136.7	158.1	175	-63.8	0	0	0	0	112.2	F487 H499 H502	F487-V497 HydrophobicContact CE1-CG2 4.09Å; F487-V497 HydrophobicContact CZ-CG2 4.41Å; V497-H499 HydrophobicContact CG2-CB 4.21Å; V497-H502 HydrophobicContact CG2-CB 3.46Å; V497-H502 VanDerWaalsContact CG2-CB 3.46Å; V497-H502 VanDerWaalsContact CG2-CG 3.42Å
498	E	97.1	Very high	95.5	Very high	84 Å²	84	39 Å²	39	39%	0.393	18%	0.176	S	C	.	.			trans	-113.6	52.2	-179.2	-65	167.4	-151.8	0	0	109.5	L445 R496	L445-E498 WeakPolarHBondContact CB-OE2 3.35Å; L445-E498 HydrophobicContact CD2-CG 3.83Å; R496-E498 IonicContact CZ-OE1 2.7Å; R496-E498 VanDerWaalsContact NH1-CG 3.34Å; R496-E498 IonicContact NH1-OE1 3.05Å; R496-E498 PolarHBondContact NH1-OE1 2.93Å; R496-E498 IonicContact NH2-OE1 2.68Å; R496-E498 PolarHBondContact NH2-OE1 2.75Å
499	H	98.2	Very high	95.6	Very high	30 Å²	30	33.5 Å²	33.5	14%	0.139	16%	0.155	C	C	.	.			trans	-110.8	134.3	-172.5	-58.5	176.1	0	0	0	110.8	V497 D501 H502 A503 S525 M526 F527	V497-H499 HydrophobicContact CG2-CB 4.21Å; H499-D501 VanDerWaalsContact C-N 3.31Å; H499-D501 PolarHBondContact O-N 3.03Å; H499-H502 HydrophobicContact CB-CB 3.9Å; H499-H502 PolarHBondContact O-N 2.62Å; H499-A503 PolarHBondContact O-N 2.91Å; H499-S525 WeakPolarHBondContact CB-OG 3.38Å; H499-S525 PolarHBondContact ND1-OG 3.31Å; H499-S525 VanDerWaalsContact ND1-OG 3.08Å; H499-M526 WeakPolarHBondContact CB-O 3.25Å; H499-M526 PolarHBondContact ND1-O 3.3Å; H499-F527 AromaticContact CD2-CD2 3.95Å
500	H	98.4	Very high	96	Very high	24 Å²	24	33.2 Å²	33.2	11%	0.111	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-46	171.2	172.6	-90.9	0	0	0	111.4	P218 H502 A503 V504 W528 S575	P218-H500 HydrophobicContact CG-CB 4.34Å; H500-H502 PolarHBondContact O-N 3.06Å; H500-A503 PolarHBondContact O-N 2.94Å; H500-A503 VanDerWaalsContact O-N 3.12Å; H500-V504 WeakPolarHBondContact O-CG2 3.37Å; H500-V504 PolarHBondContact O-N 2.82Å; H500-W528 HydrophobicContact CB-CH2 3.59Å; H500-W528 HydrophobicContact CB-CZ3 3.64Å; H500-W528 AromaticContact CG-CH2 3.63Å; H500-W528 AromaticContact ND1-CH2 3.56Å; H500-W528 AromaticContact ND1-CZ3 3.84Å; H500-S575 PolarHBondContact ND1-OG 2.66Å; H500-S575 VanDerWaalsContact ND1-OG 3.11Å
501	D	98.4	Very high	96.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-54.5	-48.5	175.9	175.7	56.8	0	0	0	112.4	H499 A503 V504 V505 H523 S525 M526	H499-D501 VanDerWaalsContact C-N 3.31Å; H499-D501 PolarHBondContact O-N 3.03Å; D501-A503 VanDerWaalsContact C-N 3.34Å; D501-A503 PolarHBondContact O-N 2.76Å; D501-V504 PolarHBondContact O-N 3.5Å; D501-V505 VanDerWaalsContact O-CG2 3.26Å; D501-V505 WeakPolarHBondContact O-CG2 3.34Å; D501-V505 PolarHBondContact O-N 3.3Å; D501-H523 IonicContact OD1-NE2 2.58Å; D501-H523 PolarHBondContact OD1-NE2 2.93Å; D501-H523 IonicContact OD2-CD2 2.8Å; D501-H523 IonicContact OD2-CE1 2.76Å; D501-H523 IonicContact OD2-NE2 3.8Å; D501-H523 PolarHBondContact OD2-NE2 3.45Å; D501-S525 WeakPolarHBondContact OD2-CA 3.22Å; D501-S525 PolarHBondContact OD2-OG 3.43Å; D501-S525 VanDerWaalsContact OD2-OG 3.05Å; D501-M526 HydrophobicContact CB-CG 3.93Å; D501-M526 WeakPolarHBondContact CB-O 3.37Å; D501-M526 PolarHBondContact OD2-N 3.43Å
502	H	98.6	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.4	-47.6	175	175	-105.8	0	0	0	111.2	G482 F487 V497 H499 H500 V504 V505 S506 Y521 S525	G482-H502 PolarHBondContact O-CE1 3.48Å; F487-H502 AromaticContact CD1-CE1 3.99Å; F487-H502 AromaticContact CD1-NE2 3.29Å; F487-H502 VanDerWaalsContact CD1-NE2 3.29Å; F487-H502 WeakPolarHBondContact CD1-NE2 3.38Å; F487-H502 AromaticContact CE1-CD2 3.59Å; F487-H502 AromaticContact CE1-CE1 3.95Å; F487-H502 AromaticContact CE1-NE2 3.22Å; F487-H502 WeakPolarHBondContact CE1-NE2 3.28Å; F487-H502 AromaticContact CZ-CD2 3.97Å; F487-H502 AromaticContact CZ-NE2 4Å; V497-H502 HydrophobicContact CG2-CB 3.46Å; V497-H502 VanDerWaalsContact CG2-CB 3.46Å; V497-H502 VanDerWaalsContact CG2-CG 3.42Å; H499-H502 HydrophobicContact CB-CB 3.9Å; H499-H502 PolarHBondContact O-N 2.62Å; H500-H502 PolarHBondContact O-N 3.06Å; H502-V504 VanDerWaalsContact C-N 3.35Å; H502-V504 PolarHBondContact O-N 3.35Å; H502-V505 PolarHBondContact O-N 2.95Å; H502-S506 WeakPolarHBondContact O-CB 3.43Å; H502-S506 PolarHBondContact O-N 3.33Å; H502-S506 PolarHBondContact O-OG 3.5Å; H502-Y521 AromaticContact CD2-CE1 3.76Å; H502-Y521 AromaticContact CD2-CZ 3.58Å; H502-Y521 PolarHBondContact CD2-OH 3.31Å; H502-Y521 AromaticContact NE2-CE1 3.97Å; H502-S525 WeakPolarHBondContact CA-OG 3.23Å; H502-S525 WeakPolarHBondContact CB-OG 3.49Å; H502-S525 PolarHBondContact N-OG 2.97Å; H502-S525 VanDerWaalsContact N-OG 3.09Å
503	A	98.8	Very high	98	Very high	6 Å²	6	21.9 Å²	21.9	5%	0.05	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-41.8	-179.2	0	0	0	0	0	112.2	T186 A187 H499 H500 D501 G507	T186-A503 HydrophobicContact CG2-CB 3.88Å; A187-A503 VanDerWaalsContact CA-O 3.31Å; A187-A503 WeakPolarHBondContact CA-O 3.42Å; A187-A503 HydrophobicContact CB-CB 4.22Å; H499-A503 PolarHBondContact O-N 2.91Å; H500-A503 PolarHBondContact O-N 2.94Å; H500-A503 VanDerWaalsContact O-N 3.12Å; D501-A503 VanDerWaalsContact C-N 3.34Å; D501-A503 PolarHBondContact O-N 2.76Å; A503-G507 WeakPolarHBondContact O-CA 3.46Å; A503-G507 PolarHBondContact O-N 2.9Å
504	V	98.8	Very high	98.3	Very high	34 Å²	34	21 Å²	21	21%	0.206	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-54.1	175.2	173.5	0	0	0	0	110.9	T186 A190 H500 D501 H502 R508	T186-V504 HydrophobicContact CG2-CG2 3.48Å; T186-V504 VanDerWaalsContact CG2-CG2 3.48Å; A190-V504 WeakPolarHBondContact CB-O 3.48Å; H500-V504 WeakPolarHBondContact O-CG2 3.37Å; H500-V504 PolarHBondContact O-N 2.82Å; D501-V504 PolarHBondContact O-N 3.5Å; H502-V504 VanDerWaalsContact C-N 3.35Å; H502-V504 PolarHBondContact O-N 3.35Å; V504-R508 WeakPolarHBondContact O-CB 3.45Å; V504-R508 PolarHBondContact O-N 2.91Å
505	V	98.8	Very high	98.4	Very high	12 Å²	12	19.6 Å²	19.6	7%	0.073	9%	0.093	C	C	.	.	H	α-helix	trans	-73	-41.8	-171.4	-177.7	0	0	0	0	111.7	D501 H502 L509 Y521 H523 E580	D501-V505 VanDerWaalsContact O-CG2 3.26Å; D501-V505 WeakPolarHBondContact O-CG2 3.34Å; D501-V505 PolarHBondContact O-N 3.3Å; H502-V505 PolarHBondContact O-N 2.95Å; V505-L509 WeakPolarHBondContact O-CB 3.36Å; V505-L509 PolarHBondContact O-N 3.15Å; V505-Y521 HydrophobicContact CB-CE2 4.32Å; V505-Y521 HydrophobicContact CG1-CE2 3.89Å; V505-H523 HydrophobicContact CG1-CB 3.75Å; V505-E580 HydrophobicContact CG2-CG 4.16Å; V505-E580 WeakPolarHBondContact CG2-OE1 3.39Å
506	S	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.4	-37.8	176.7	65.1	0	0	0	0	111.8	L472 G482 H502 L509 A510	L472-S506 WeakPolarHBondContact CD1-O 3.42Å; G482-S506 PolarHBondContact N-OG 3.4Å; H502-S506 WeakPolarHBondContact O-CB 3.43Å; H502-S506 PolarHBondContact O-N 3.33Å; H502-S506 PolarHBondContact O-OG 3.5Å; S506-L509 PolarHBondContact O-N 3.18Å; S506-A510 VanDerWaalsContact O-CB 3.3Å; S506-A510 WeakPolarHBondContact O-CB 3.13Å; S506-A510 PolarHBondContact O-N 3.07Å
507	G	98.9	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-48.8	174.1	0	0	0	0	0	111.6	A187 A191 A503 L509 A510 G511	A187-G507 WeakPolarHBondContact O-CA 3.36Å; A191-G507 WeakPolarHBondContact CA-O 3.44Å; A191-G507 VanDerWaalsContact CB-O 3.23Å; A191-G507 WeakPolarHBondContact CB-O 3.3Å; A503-G507 WeakPolarHBondContact O-CA 3.46Å; A503-G507 PolarHBondContact O-N 2.9Å; G507-L509 PolarHBondContact O-N 3.02Å; G507-A510 PolarHBondContact O-N 3.39Å; G507-G511 PolarHBondContact O-N 3.23Å
508	R	98.9	Very high	98.5	Very high	67 Å²	67	23.7 Å²	23.7	25%	0.253	13%	0.134	S	C	.	.	H	α-helix	trans	-56.8	-52.4	174.1	-177.8	173.2	60.4	-112.6	-11.7	111.1	S194 V504 A510 G511 E512 E580	S194-R508 WeakPolarHBondContact CB-O 3.12Å; S194-R508 PolarHBondContact OG-O 3.04Å; V504-R508 WeakPolarHBondContact O-CB 3.45Å; V504-R508 PolarHBondContact O-N 2.91Å; R508-A510 VanDerWaalsContact C-N 3.31Å; R508-A510 PolarHBondContact O-N 3.09Å; R508-G511 WeakPolarHBondContact O-CA 3.4Å; R508-G511 PolarHBondContact O-N 3.48Å; R508-E512 WeakPolarHBondContact O-CG 3.48Å; R508-E512 PolarHBondContact O-N 3.25Å; R508-E580 IonicContact CZ-OE1 3.77Å; R508-E580 IonicContact CZ-OE2 3.2Å; R508-E580 IonicContact NH1-OE1 3.66Å; R508-E580 PolarHBondContact NH1-OE1 3.45Å; R508-E580 IonicContact NH1-OE2 2.82Å; R508-E580 IonicContact NH2-OE1 2.88Å; R508-E580 PolarHBondContact NH2-OE1 2.95Å; R508-E580 IonicContact NH2-OE2 2.76Å; R508-E580 PolarHBondContact NH2-OE2 2.99Å
509	L	98.9	Very high	98.6	Very high	13 Å²	13	23.8 Å²	23.8	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-42.1	179	-178.8	66.2	0	0	0	112.5	L472 V505 S506 G507 G511 E512 N513 K519 Y521	L472-L509 HydrophobicContact CD1-CB 4.26Å; L472-L509 HydrophobicContact CD1-CD2 3.96Å; L472-L509 HydrophobicContact CD1-CG 4.33Å; L472-L509 HydrophobicContact CG-CD2 4.29Å; V505-L509 WeakPolarHBondContact O-CB 3.36Å; V505-L509 PolarHBondContact O-N 3.15Å; S506-L509 PolarHBondContact O-N 3.18Å; G507-L509 PolarHBondContact O-N 3.02Å; L509-G511 VanDerWaalsContact C-N 3.32Å; L509-G511 PolarHBondContact O-N 3.27Å; L509-E512 WeakPolarHBondContact CD1-OE2 3.38Å; L509-E512 WeakPolarHBondContact O-CB 3.35Å; L509-E512 PolarHBondContact O-N 2.73Å; L509-N513 WeakPolarHBondContact O-CB 3.42Å; L509-N513 PolarHBondContact O-N 3.34Å; L509-K519 HydrophobicContact CD1-CB 3.58Å; L509-Y521 VanDerWaalsContact CD2-CA 3.48Å; L509-Y521 HydrophobicContact CD2-CD2 3.57Å; L509-Y521 HydrophobicContact CD2-CG 4.06Å
510	A	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-44	175.4	0	0	0	0	0	111	L302 W479 A481 S506 G507 R508 E512 N513 M514	L302-A510 HydrophobicContact CD1-CB 3.83Å; W479-A510 HydrophobicContact CB-CB 4.09Å; W479-A510 HydrophobicContact CG-CB 4.44Å; A481-A510 HydrophobicContact CB-CB 4.41Å; S506-A510 VanDerWaalsContact O-CB 3.3Å; S506-A510 WeakPolarHBondContact O-CB 3.13Å; S506-A510 PolarHBondContact O-N 3.07Å; G507-A510 PolarHBondContact O-N 3.39Å; R508-A510 VanDerWaalsContact C-N 3.31Å; R508-A510 PolarHBondContact O-N 3.09Å; A510-E512 PolarHBondContact O-N 2.97Å; A510-N513 PolarHBondContact O-N 2.98Å; A510-M514 WeakPolarHBondContact O-CB 3.46Å; A510-M514 WeakPolarHBondContact O-CG 3.15Å; A510-M514 PolarHBondContact O-N 3.38Å
511	G	98.9	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-39	174.1	0	0	0	0	0	113.9	G507 R508 L509 T515	G507-G511 PolarHBondContact O-N 3.23Å; R508-G511 WeakPolarHBondContact O-CA 3.4Å; R508-G511 PolarHBondContact O-N 3.48Å; L509-G511 VanDerWaalsContact C-N 3.32Å; L509-G511 PolarHBondContact O-N 3.27Å; G511-T515 PolarHBondContact O-N 3.11Å; G511-T515 VanDerWaalsContact O-N 3.11Å; G511-T515 PolarHBondContact O-OG1 2.99Å
512	E	98.9	Very high	98.4	Very high	32 Å²	32	32 Å²	32	15%	0.15	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-43.5	172.2	-61.4	175.1	132.9	0	0	111.8	S194 R508 L509 A510 T515 G516 A517 K519	S194-E512 VanDerWaalsContact OG-CG 3.22Å; S194-E512 WeakPolarHBondContact OG-CG 3.42Å; R508-E512 WeakPolarHBondContact O-CG 3.48Å; R508-E512 PolarHBondContact O-N 3.25Å; L509-E512 WeakPolarHBondContact CD1-OE2 3.38Å; L509-E512 WeakPolarHBondContact O-CB 3.35Å; L509-E512 PolarHBondContact O-N 2.73Å; A510-E512 PolarHBondContact O-N 2.97Å; E512-T515 WeakPolarHBondContact CA-OG1 3.42Å; E512-T515 CarbonylContact O-C 3.57Å; E512-T515 VanDerWaalsContact O-C 3.24Å; E512-T515 WeakPolarHBondContact O-CA 3.35Å; E512-T515 PolarHBondContact O-N 2.78Å; E512-T515 VanDerWaalsContact O-N 3.13Å; E512-T515 PolarHBondContact O-OG1 3.47Å; E512-G516 PolarHBondContact O-N 3.3Å; E512-A517 HydrophobicContact CB-CB 3.79Å; E512-A517 WeakPolarHBondContact O-CB 3.26Å; E512-A517 PolarHBondContact O-N 2.87Å; E512-K519 IonicContact OE1-NZ 2.9Å; E512-K519 PolarHBondContact OE1-NZ 2.96Å; E512-K519 WeakPolarHBondContact OE2-CE 3.3Å; E512-K519 IonicContact OE2-NZ 3.99Å; E512-K519 PolarHBondContact OE2-NZ 3.03Å
513	N	98.9	Very high	98.3	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-36.1	179.9	-71	-12.3	0	0	0	112.1	E471 W479 L509 A510 T515 G516 N518 K519	E471-N513 PolarHBondContact O-ND2 3.01Å; W479-N513 HydrophobicContact CZ2-CB 4.42Å; L509-N513 WeakPolarHBondContact O-CB 3.42Å; L509-N513 PolarHBondContact O-N 3.34Å; A510-N513 PolarHBondContact O-N 2.98Å; N513-T515 PolarHBondContact O-N 3.24Å; N513-G516 PolarHBondContact O-N 2.93Å; N513-N518 PolarHBondContact OD1-N 3.16Å; N513-N518 VanDerWaalsContact OD1-N 3.13Å; N513-K519 PolarHBondContact ND2-O 2.9Å; N513-K519 PolarHBondContact OD1-N 2.88Å
514	M	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-26.9	169.1	-71.9	166.3	76.5	0	0	111.2	Y179 L181 I195 K300 L302 W479 A510	Y179-M514 HydrophobicContact CD1-CB 4.31Å; Y179-M514 HydrophobicContact CD1-CE 3.9Å; Y179-M514 HydrophobicContact CE1-CB 4.18Å; L181-M514 HydrophobicContact CD2-CE 3.71Å; L181-M514 HydrophobicContact CD2-SD 4.41Å; I195-M514 HydrophobicContact CD1-CE 3.98Å; I195-M514 HydrophobicContact CD1-SD 4.22Å; K300-M514 HydrophobicContact CB-CE 4.01Å; K300-M514 HydrophobicContact CB-CG 4.49Å; K300-M514 HydrophobicContact CD-CB 4.24Å; K300-M514 WeakPolarHBondContact CD-O 3.42Å; K300-M514 WeakPolarHBondContact CE-O 3.39Å; K300-M514 PolarHBondContact NZ-O 3.4Å; L302-M514 HydrophobicContact CB-CE 4.23Å; L302-M514 HydrophobicContact CB-SD 4.01Å; W479-M514 HydrophobicContact CD2-CG 3.69Å; W479-M514 HydrophobicContact CE3-CG 3.4Å; W479-M514 HydrophobicContact CE3-SD 4.26Å; W479-M514 HydrophobicContact CG-CG 4.32Å; W479-M514 HydrophobicContact CH2-CG 4.18Å; W479-M514 HydrophobicContact CZ2-CG 4.4Å; W479-M514 HydrophobicContact CZ3-CG 3.66Å; A510-M514 WeakPolarHBondContact O-CB 3.46Å; A510-M514 WeakPolarHBondContact O-CG 3.15Å; A510-M514 PolarHBondContact O-N 3.38Å
515	T	98.7	Very high	98	Very high	25 Å²	25	32 Å²	32	15%	0.153	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	26.3	173.2	53.4	0	0	0	0	112.9	Y179 I195 R198 D199 G511 E512 N513	Y179-T515 HydrophobicContact CE1-CG2 4.3Å; I195-T515 HydrophobicContact CB-CG2 4.35Å; I195-T515 HydrophobicContact CG1-CG2 4.3Å; I195-T515 HydrophobicContact CG2-CG2 4.08Å; R198-T515 HydrophobicContact CB-CG2 4.33Å; R198-T515 VanDerWaalsContact CD-OG1 3.26Å; R198-T515 WeakPolarHBondContact CD-OG1 3.35Å; R198-T515 PolarHBondContact NE-OG1 3.21Å; D199-T515 HydrophobicContact CB-CG2 4.23Å; G511-T515 PolarHBondContact O-N 3.11Å; G511-T515 VanDerWaalsContact O-N 3.11Å; G511-T515 PolarHBondContact O-OG1 2.99Å; E512-T515 WeakPolarHBondContact CA-OG1 3.42Å; E512-T515 CarbonylContact O-C 3.57Å; E512-T515 VanDerWaalsContact O-C 3.24Å; E512-T515 WeakPolarHBondContact O-CA 3.35Å; E512-T515 PolarHBondContact O-N 2.78Å; E512-T515 VanDerWaalsContact O-N 3.13Å; E512-T515 PolarHBondContact O-OG1 3.47Å; N513-T515 PolarHBondContact O-N 3.24Å
516	G	98.3	Very high	97.9	Very high	45 Å²	45	31.4 Å²	31.4	46%	0.464	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	14.6	167	0	0	0	0	0	116.5	E512 N513 N518	E512-G516 PolarHBondContact O-N 3.3Å; N513-G516 PolarHBondContact O-N 2.93Å; G516-N518 PolarHBondContact O-ND2 3.06Å
517	A	98.3	Very high	97.9	Very high	27 Å²	27	33.4 Å²	33.4	22%	0.223	17%	0.17	C	C	.	.			trans	-71.2	-30.2	-179.7	0	0	0	0	0	114.2	E512 K519	E512-A517 HydrophobicContact CB-CB 3.79Å; E512-A517 WeakPolarHBondContact O-CB 3.26Å; E512-A517 PolarHBondContact O-N 2.87Å; A517-K519 VanDerWaalsContact C-N 3.28Å; A517-K519 HydrophobicContact CB-CD 4.45Å; A517-K519 HydrophobicContact CB-CG 4.12Å; A517-K519 PolarHBondContact O-N 3.02Å
518	N	96.6	Very high	97.9	Very high	93 Å²	93	34 Å²	34	50%	0.497	17%	0.172	S	C	.	.			trans	47.8	46.4	-179.6	-50.1	-46.3	0	0	0	113.4	N513 G516	N513-N518 PolarHBondContact OD1-N 3.16Å; N513-N518 VanDerWaalsContact OD1-N 3.13Å; G516-N518 PolarHBondContact O-ND2 3.06Å
519	K	98.1	Very high	97.8	Very high	86 Å²	86	30.8 Å²	30.8	37%	0.374	16%	0.16	S	C	.	.			trans	-98.2	139.7	-178.5	-71	-170.7	-58.7	174.1	0	111	L509 E512 N513 A517	L509-K519 HydrophobicContact CD1-CB 3.58Å; E512-K519 IonicContact OE1-NZ 2.9Å; E512-K519 PolarHBondContact OE1-NZ 2.96Å; E512-K519 WeakPolarHBondContact OE2-CE 3.3Å; E512-K519 IonicContact OE2-NZ 3.99Å; E512-K519 PolarHBondContact OE2-NZ 3.03Å; N513-K519 PolarHBondContact ND2-O 2.9Å; N513-K519 PolarHBondContact OD1-N 2.88Å; A517-K519 VanDerWaalsContact C-N 3.28Å; A517-K519 HydrophobicContact CB-CD 4.45Å; A517-K519 HydrophobicContact CB-CG 4.12Å; A517-K519 PolarHBondContact O-N 3.02Å
520	P	97.9	Very high	97.8	Very high	47 Å²	47	30.3 Å²	30.3	31%	0.305	16%	0.157	S	C	.	.			trans	-78.5	152.8	176.5	33	-35.6	0	0	0	112.6	A470 W522	A470-P520 HydrophobicContact CB-CB 4.2Å; A470-P520 CarbonylContact O-C 3.58Å; A470-P520 VanDerWaalsContact O-CA 3.3Å; A470-P520 WeakPolarHBondContact O-CA 3.34Å; P520-W522 HydrophobicContact CB-CD2 4.45Å; P520-W522 HydrophobicContact CB-CZ2 4.35Å; P520-W522 HydrophobicContact CG-CD2 3.87Å; P520-W522 VanDerWaalsContact CG-CE2 3.45Å; P520-W522 HydrophobicContact CG-CE3 4.36Å; P520-W522 HydrophobicContact CG-CG 4.36Å; P520-W522 HydrophobicContact CG-CH2 4.15Å; P520-W522 HydrophobicContact CG-CZ2 3.62Å; P520-W522 HydrophobicContact CG-CZ3 4.48Å; P520-W522 PolarHBondContact O-N 2.88Å
521	Y	98	Very high	97.8	Very high	8 Å²	8	30.4 Å²	30.4	3%	0.031	16%	0.158	C	C	.	.			trans	-84.4	94.8	173.3	-167.5	-107.6	0	0	0	110.6	A470 L472 F487 H502 V505 L509 H523	A470-Y521 PolarHBondContact O-N 3.41Å; L472-Y521 HydrophobicContact CD1-CD2 4.12Å; L472-Y521 HydrophobicContact CD1-CG 4.38Å; L472-Y521 HydrophobicContact CD2-CD1 4.35Å; L472-Y521 HydrophobicContact CD2-CG 3.97Å; L472-Y521 HydrophobicContact CG-CG 4.41Å; F487-Y521 AromaticContact CD2-CD1 3.68Å; F487-Y521 HydrophobicContact CD2-CD1 3.68Å; F487-Y521 AromaticContact CD2-CE1 3.81Å; F487-Y521 HydrophobicContact CD2-CE1 3.81Å; F487-Y521 HydrophobicContact CE2-CD1 4.04Å; F487-Y521 AromaticContact CE2-CE1 3.73Å; F487-Y521 HydrophobicContact CE2-CE1 3.73Å; F487-Y521 HydrophobicContact CG-CD1 4.18Å; F487-Y521 HydrophobicContact CG-CE1 4.28Å; F487-Y521 HydrophobicContact CZ-CE1 4.14Å; H502-Y521 AromaticContact CD2-CE1 3.76Å; H502-Y521 AromaticContact CD2-CZ 3.58Å; H502-Y521 PolarHBondContact CD2-OH 3.31Å; H502-Y521 AromaticContact NE2-CE1 3.97Å; V505-Y521 HydrophobicContact CB-CE2 4.32Å; V505-Y521 HydrophobicContact CG1-CE2 3.89Å; L509-Y521 VanDerWaalsContact CD2-CA 3.48Å; L509-Y521 HydrophobicContact CD2-CD2 3.57Å; L509-Y521 HydrophobicContact CD2-CG 4.06Å; Y521-H523 HydrophobicContact CD2-CB 4.43Å; Y521-H523 HydrophobicContact CE1-CB 4.41Å; Y521-H523 HydrophobicContact CE2-CB 3.83Å
522	W	95.4	Very high	97.6	Very high	173 Å²	173	30.6 Å²	30.6	66%	0.655	16%	0.16	S	C	*	.			trans	-108.1	6	176.4	-66.4	-17.4	0	0	0	113.7	P520	P520-W522 HydrophobicContact CB-CD2 4.45Å; P520-W522 HydrophobicContact CB-CZ2 4.35Å; P520-W522 HydrophobicContact CG-CD2 3.87Å; P520-W522 VanDerWaalsContact CG-CE2 3.45Å; P520-W522 HydrophobicContact CG-CE3 4.36Å; P520-W522 HydrophobicContact CG-CG 4.36Å; P520-W522 HydrophobicContact CG-CH2 4.15Å; P520-W522 HydrophobicContact CG-CZ2 3.62Å; P520-W522 HydrophobicContact CG-CZ3 4.48Å; P520-W522 PolarHBondContact O-N 2.88Å
523	H	96.3	Very high	97.5	Very high	26 Å²	26	30.3 Å²	30.3	12%	0.12	16%	0.16	C	C	.	.			trans	-66.9	134.9	-179.9	-174.1	61.3	0	0	0	111.2	D501 V505 Y521	D501-H523 IonicContact OD1-NE2 2.58Å; D501-H523 PolarHBondContact OD1-NE2 2.93Å; D501-H523 IonicContact OD2-CD2 2.8Å; D501-H523 IonicContact OD2-CE1 2.76Å; D501-H523 IonicContact OD2-NE2 3.8Å; D501-H523 PolarHBondContact OD2-NE2 3.45Å; V505-H523 HydrophobicContact CG1-CB 3.75Å; Y521-H523 HydrophobicContact CD2-CB 4.43Å; Y521-H523 HydrophobicContact CE1-CB 4.41Å; Y521-H523 HydrophobicContact CE2-CB 3.83Å
524	Q	94.8	Very high	97.4	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.07	19%	0.185	C	C	.	.			trans	-96.9	99.4	172.2	-66.2	-179.4	-65.8	0	0	108.7	I540 R631	Q524-I540 HydrophobicContact CB-CD1 3.95Å; Q524-R631 HydrophobicContact CB-CG 4.32Å; Q524-R631 PolarHBondContact O-NE 3.49Å; Q524-R631 PolarHBondContact OE1-O 3.37Å; Q524-R631 VanDerWaalsContact OE1-O 3.07Å
525	S	96.4	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.			trans	-69.1	135.6	-172.7	-179.5	0	0	0	0	113.2	H499 D501 H502	H499-S525 WeakPolarHBondContact CB-OG 3.38Å; H499-S525 PolarHBondContact ND1-OG 3.31Å; H499-S525 VanDerWaalsContact ND1-OG 3.08Å; D501-S525 WeakPolarHBondContact OD2-CA 3.22Å; D501-S525 PolarHBondContact OD2-OG 3.43Å; D501-S525 VanDerWaalsContact OD2-OG 3.05Å; H502-S525 WeakPolarHBondContact CA-OG 3.23Å; H502-S525 WeakPolarHBondContact CB-OG 3.49Å; H502-S525 PolarHBondContact N-OG 2.97Å; H502-S525 VanDerWaalsContact N-OG 3.09Å
526	M	97.5	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	159.4	172.2	69.4	165.1	-72.6	0	0	112.9	H499 D501 W528 E538 A539 R574 E578 M627	H499-M526 WeakPolarHBondContact CB-O 3.25Å; H499-M526 PolarHBondContact ND1-O 3.3Å; D501-M526 HydrophobicContact CB-CG 3.93Å; D501-M526 WeakPolarHBondContact CB-O 3.37Å; D501-M526 PolarHBondContact OD2-N 3.43Å; M526-W528 HydrophobicContact CE-CB 4.37Å; M526-E538 HydrophobicContact CE-CB 4.43Å; M526-E538 HydrophobicContact CE-CG 4.31Å; M526-A539 CarbonylContact C-O 3.52Å; M526-A539 WeakPolarHBondContact CA-O 3.25Å; M526-R574 HydrophobicContact CE-CB 4.12Å; M526-E578 HydrophobicContact CE-CB 4.42Å; M526-E578 HydrophobicContact CE-CG 3.89Å; M526-E578 HydrophobicContact SD-CB 3.69Å; M526-E578 HydrophobicContact SD-CG 3.8Å; M526-M627 HydrophobicContact CB-CE 3.94Å; M526-M627 HydrophobicContact CB-CG 3.93Å; M526-M627 HydrophobicContact CB-SD 3.82Å; M526-M627 HydrophobicContact CE-CE 4.11Å; M526-M627 HydrophobicContact CG-CG 4.4Å; M526-M627 HydrophobicContact SD-CB 4.4Å; M526-M627 HydrophobicContact SD-CE 4.42Å; M526-M627 HydrophobicContact SD-CG 3.86Å
527	F	98.1	Very high	97.4	Very high	41 Å²	41	32.1 Å²	32.1	18%	0.18	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.7	171.8	169.6	-95.2	0	0	0	109.5	F355 H499 E538 A539	F355-F527 HydrophobicContact CB-CE1 4.34Å; F355-F527 HydrophobicContact CB-CZ 3.79Å; F355-F527 AromaticContact CD1-CE1 3.89Å; F355-F527 HydrophobicContact CD1-CE1 3.89Å; F355-F527 HydrophobicContact CD1-CZ 4.2Å; F355-F527 AromaticContact CD2-CE1 3.56Å; F355-F527 HydrophobicContact CD2-CE1 3.56Å; F355-F527 AromaticContact CD2-CZ 3.64Å; F355-F527 HydrophobicContact CD2-CZ 3.64Å; F355-F527 HydrophobicContact CE1-CE1 4Å; F355-F527 HydrophobicContact CE2-CD1 4.41Å; F355-F527 AromaticContact CE2-CE1 3.68Å; F355-F527 HydrophobicContact CE2-CE1 3.68Å; F355-F527 HydrophobicContact CE2-CZ 4.24Å; F355-F527 AromaticContact CG-CE1 3.67Å; F355-F527 HydrophobicContact CG-CE1 3.67Å; F355-F527 AromaticContact CG-CZ 3.62Å; F355-F527 HydrophobicContact CG-CZ 3.62Å; F355-F527 AromaticContact CZ-CE1 3.91Å; F355-F527 HydrophobicContact CZ-CE1 3.91Å; H499-F527 AromaticContact CD2-CD2 3.95Å; F527-E538 CarbonylContact O-C 3.59Å; F527-E538 VanDerWaalsContact O-CA 3.22Å; F527-E538 WeakPolarHBondContact O-CA 3.48Å; F527-A539 HydrophobicContact CB-CB 4.29Å; F527-A539 HydrophobicContact CD1-CB 4.18Å; F527-A539 PolarHBondContact N-O 3.16Å; F527-A539 PolarHBondContact O-N 3.12Å
528	W	98.4	Very high	97.4	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.049	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.6	166.4	81.7	99.9	0	0	0	112.3	P218 H500 M526 Y537 E538 I573 R574	P218-W528 HydrophobicContact CB-CZ2 3.92Å; P218-W528 HydrophobicContact CG-CH2 4.01Å; P218-W528 HydrophobicContact CG-CZ2 3.87Å; H500-W528 HydrophobicContact CB-CH2 3.59Å; H500-W528 HydrophobicContact CB-CZ3 3.64Å; H500-W528 AromaticContact CG-CH2 3.63Å; H500-W528 AromaticContact ND1-CH2 3.56Å; H500-W528 AromaticContact ND1-CZ3 3.84Å; M526-W528 HydrophobicContact CE-CB 4.37Å; W528-Y537 CarbonylContact C-O 3.59Å; W528-Y537 WeakPolarHBondContact CA-O 3.42Å; W528-Y537 WeakPolarHBondContact CB-O 3.43Å; W528-E538 HydrophobicContact CB-CG 4.26Å; W528-I573 HydrophobicContact CH2-CG2 3.75Å; W528-I573 HydrophobicContact CZ2-CB 4.49Å; W528-I573 HydrophobicContact CZ2-CD1 4.11Å; W528-I573 HydrophobicContact CZ2-CG2 4.1Å; W528-R574 HydrophobicContact CB-CB 3.84Å; W528-R574 HydrophobicContact CB-CG 3.77Å; W528-R574 HydrophobicContact CD2-CB 3.73Å; W528-R574 HydrophobicContact CD2-CG 3.93Å; W528-R574 HydrophobicContact CE3-CB 4.16Å; W528-R574 HydrophobicContact CG-CB 3.55Å; W528-R574 HydrophobicContact CG-CG 3.36Å
529	S	98.6	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	128.4	174	-179	0	0	0	0	110.2	F355 E359 G536 Y537	F355-S529 VanDerWaalsContact CD1-CB 3.43Å; F355-S529 WeakPolarHBondContact CD1-OG 3.3Å; E359-S529 WeakPolarHBondContact OE1-CA 3.35Å; E359-S529 WeakPolarHBondContact OE1-CB 3.33Å; E359-S529 PolarHBondContact OE1-OG 3.05Å; S529-G536 CarbonylContact O-C 3.47Å; S529-G536 WeakPolarHBondContact O-CA 3.32Å; S529-Y537 PolarHBondContact N-O 2.83Å; S529-Y537 PolarHBondContact O-N 3.48Å
530	D	98.5	Very high	97.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.1	176.7	-67.8	1.2	0	0	0	107.9	K222 W241 G532 V535 P562 R574	K222-D530 HydrophobicContact CD-CB 4.21Å; W241-D530 HydrophobicContact CZ2-CB 4.46Å; W241-D530 PolarHBondContact NE1-OD2 3.24Å; D530-G532 PolarHBondContact O-N 2.84Å; D530-V535 WeakPolarHBondContact CA-O 3.41Å; D530-P562 HydrophobicContact CB-CB 4.4Å; D530-P562 HydrophobicContact CB-CG 4.37Å; D530-R574 IonicContact OD1-NE 3.11Å; D530-R574 IonicContact OD2-CZ 2.82Å; D530-R574 IonicContact OD2-NE 3.61Å; D530-R574 IonicContact OD2-NH2 2.69Å; D530-R574 PolarHBondContact OD2-NH2 2.76Å
531	L	98	Very high	97.4	Very high	3 Å²	3	21 Å²	21	2%	0.016	10%	0.101	C	C	.	.	S	Bend	trans	-89.7	53.5	173.3	-60.8	-174.7	0	0	0	110	E359 T397 K400 V535 Y537	E359-L531 HydrophobicContact CB-CD2 4.44Å; E359-L531 HydrophobicContact CG-CD2 3.85Å; T397-L531 HydrophobicContact CG2-CD1 3.54Å; K400-L531 HydrophobicContact CD-CB 4.46Å; K400-L531 HydrophobicContact CD-CD1 4.34Å; K400-L531 WeakPolarHBondContact CE-O 3.43Å; K400-L531 PolarHBondContact NZ-O 3.1Å; L531-V535 HydrophobicContact CB-CB 4.31Å; L531-V535 HydrophobicContact CB-CG1 4.48Å; L531-V535 PolarHBondContact N-O 2.81Å; L531-Y537 HydrophobicContact CD1-CE2 3.81Å; L531-Y537 HydrophobicContact CG-CE2 4.05Å
532	G	95.8	Very high	97.3	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	86.9	-169.4	-166.7	0	0	0	0	0	112.8	D530 D534	D530-G532 PolarHBondContact O-N 2.84Å; G532-D534 VanDerWaalsContact C-N 3.28Å; G532-D534 PolarHBondContact O-N 2.86Å
533	P	96.6	Very high	97.4	Very high	25 Å²	25	16 Å²	16	16%	0.162	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.6	-168.9	27.2	-35	0	0	0	115	W241 P562 K563	W241-P533 HydrophobicContact CD2-CB 4.19Å; W241-P533 HydrophobicContact CE3-CB 4Å; P533-P562 WeakPolarHBondContact O-CB 3.34Å; P533-P562 VanDerWaalsContact O-CD 3.24Å; P533-P562 WeakPolarHBondContact O-CD 3.38Å; P533-K563 HydrophobicContact CB-CB 4Å; P533-K563 WeakPolarHBondContact O-CB 3.31Å; P533-K563 PolarHBondContact O-N 3.47Å
534	D	96.3	Very high	97.5	Very high	99 Å²	99	18 Å²	18	53%	0.529	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-14.8	-166.8	-54.8	-43.8	0	0	0	114.4	G532 P562	G532-D534 VanDerWaalsContact C-N 3.28Å; G532-D534 PolarHBondContact O-N 2.86Å; D534-P562 VanDerWaalsContact C-CD 3.45Å
535	V	98.1	Very high	97.6	Very high	11 Å²	11	19.3 Å²	19.3	7%	0.067	11%	0.11	C	C	.	.			trans	-136	116.5	-173.8	-179.7	0	0	0	0	110.7	W396 K400 D530 L531 Y537 N622	W396-V535 HydrophobicContact CH2-CG1 3.87Å; W396-V535 HydrophobicContact CH2-CG2 3.78Å; W396-V535 HydrophobicContact CZ3-CG1 3.74Å; W396-V535 HydrophobicContact CZ3-CG2 4.43Å; K400-V535 HydrophobicContact CG-CG2 4.2Å; D530-V535 WeakPolarHBondContact CA-O 3.41Å; L531-V535 HydrophobicContact CB-CB 4.31Å; L531-V535 HydrophobicContact CB-CG1 4.48Å; L531-V535 PolarHBondContact N-O 2.81Å; V535-Y537 HydrophobicContact CG1-CE2 3.8Å; V535-N622 WeakPolarHBondContact CA-OD1 3.36Å
536	G	98.2	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.8	178.1	0	0	0	0	0	113.1	S529 N622	S529-G536 CarbonylContact O-C 3.47Å; S529-G536 WeakPolarHBondContact O-CA 3.32Å; G536-N622 PolarHBondContact N-OD1 3Å; G536-N622 PolarHBondContact O-N 3.1Å; G536-N622 PolarHBondContact O-OD1 3.06Å
537	Y	98.8	Very high	97.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.1	170.6	-53.5	-91.2	0	0	0	109.5	F355 M385 L389 L393 W396 T397 W528 S529 L531 V535 L620 W621	F355-Y537 HydrophobicContact CE1-CD2 4.24Å; F355-Y537 HydrophobicContact CE1-CG 4.16Å; M385-Y537 HydrophobicContact CE-CE2 4.37Å; L389-Y537 HydrophobicContact CD1-CE1 4.35Å; L393-Y537 HydrophobicContact CD1-CE1 4.32Å; L393-Y537 HydrophobicContact CD2-CD1 4.42Å; L393-Y537 HydrophobicContact CD2-CE1 4.04Å; L393-Y537 HydrophobicContact CG-CE1 4.24Å; W396-Y537 WeakPolarHBondContact CZ3-OH 3.04Å; T397-Y537 WeakPolarHBondContact CG2-OH 3.27Å; T397-Y537 PolarHBondContact OG1-OH 3.29Å; W528-Y537 CarbonylContact C-O 3.59Å; W528-Y537 WeakPolarHBondContact CA-O 3.42Å; W528-Y537 WeakPolarHBondContact CB-O 3.43Å; S529-Y537 PolarHBondContact N-O 2.83Å; S529-Y537 PolarHBondContact O-N 3.48Å; L531-Y537 HydrophobicContact CD1-CE2 3.81Å; L531-Y537 HydrophobicContact CG-CE2 4.05Å; V535-Y537 HydrophobicContact CG1-CE2 3.8Å; Y537-L620 CarbonylContact C-O 3.59Å; Y537-L620 VanDerWaalsContact CA-O 3.26Å; Y537-L620 WeakPolarHBondContact CA-O 3.34Å; Y537-W621 HydrophobicContact CD1-CB 4.17Å; Y537-W621 HydrophobicContact CD1-CG 4.36Å; Y537-W621 HydrophobicContact CE1-CB 4.3Å; Y537-W621 AromaticContact CE1-CD1 3.63Å; Y537-W621 HydrophobicContact CE1-CG 4.06Å
538	E	98.7	Very high	97.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.1	163.9	-51.4	-173	156.3	0	0	110	M526 F527 W528 I619 L620 M627	M526-E538 HydrophobicContact CE-CB 4.43Å; M526-E538 HydrophobicContact CE-CG 4.31Å; F527-E538 CarbonylContact O-C 3.59Å; F527-E538 VanDerWaalsContact O-CA 3.22Å; F527-E538 WeakPolarHBondContact O-CA 3.48Å; W528-E538 HydrophobicContact CB-CG 4.26Å; E538-I619 CarbonylContact O-C 3.55Å; E538-I619 WeakPolarHBondContact O-CA 3.42Å; E538-L620 HydrophobicContact CB-CB 4.18Å; E538-L620 PolarHBondContact N-O 3.27Å; E538-L620 PolarHBondContact O-N 3.19Å; E538-M627 HydrophobicContact CB-CE 3.55Å; E538-M627 HydrophobicContact CG-CE 4.47Å; E538-M627 VanDerWaalsContact OE2-CE 3.31Å; E538-M627 WeakPolarHBondContact OE2-CE 3.46Å
539	A	98.5	Very high	97.7	Very high	6 Å²	6	29.3 Å²	29.3	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.1	-179.7	0	0	0	0	0	112	M526 F527 V543 I618 I619	M526-A539 CarbonylContact C-O 3.52Å; M526-A539 WeakPolarHBondContact CA-O 3.25Å; F527-A539 HydrophobicContact CB-CB 4.29Å; F527-A539 HydrophobicContact CD1-CB 4.18Å; F527-A539 PolarHBondContact N-O 3.16Å; F527-A539 PolarHBondContact O-N 3.12Å; A539-V543 HydrophobicContact CB-CG1 4.45Å; A539-V543 HydrophobicContact CB-CG2 4.28Å; A539-I618 WeakPolarHBondContact CA-O 3.25Å; A539-I619 HydrophobicContact CB-CG1 3.97Å
540	I	97.9	Very high	97.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.3	175.9	-175.3	165.9	0	0	0	110.9	Q524 G617 I618 M627 A630 R631 I634	Q524-I540 HydrophobicContact CB-CD1 3.95Å; I540-G617 CarbonylContact O-C 3.57Å; I540-G617 WeakPolarHBondContact O-CA 3.29Å; I540-I618 HydrophobicContact CG2-CB 3.97Å; I540-I618 PolarHBondContact N-O 2.83Å; I540-I618 PolarHBondContact O-N 3.24Å; I540-M627 HydrophobicContact CB-SD 3.69Å; I540-M627 HydrophobicContact CD1-SD 3.79Å; I540-M627 HydrophobicContact CG1-SD 4.34Å; I540-M627 HydrophobicContact CG2-CE 4.48Å; I540-M627 HydrophobicContact CG2-SD 3.65Å; I540-A630 HydrophobicContact CG2-CB 3.83Å; I540-R631 HydrophobicContact CD1-CB 4.29Å; I540-R631 HydrophobicContact CD1-CG 3.3Å; I540-I634 HydrophobicContact CB-CD1 4.4Å; I540-I634 HydrophobicContact CG1-CD1 4.11Å; I540-I634 HydrophobicContact CG2-CD1 3.73Å
541	G	96.8	Very high	97.6	Very high	11 Å²	11	33.3 Å²	33.3	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-148.5	179	0	0	0	0	0	113.9	V616	G541-V616 CarbonylContact C-O 3.57Å; G541-V616 WeakPolarHBondContact CA-O 3.48Å
542	I	96.5	Very high	97.5	Very high	39 Å²	39	34 Å²	34	20%	0.2	22%	0.217	C	C	.	.			trans	-92.4	106.4	176.9	-55.1	-178.3	0	0	0	109.1	L492 L547 Y609 V616 G617	L492-I542 HydrophobicContact CB-CD1 4.26Å; L492-I542 HydrophobicContact CB-CG1 4.4Å; L492-I542 HydrophobicContact CD1-CG1 3.84Å; L492-I542 HydrophobicContact CD2-CD1 3.81Å; L492-I542 HydrophobicContact CD2-CG1 3.91Å; L492-I542 HydrophobicContact CG-CD1 4.39Å; L492-I542 HydrophobicContact CG-CG1 4.25Å; I542-L547 HydrophobicContact CG2-CD1 3.91Å; I542-Y609 WeakPolarHBondContact O-CB 3.22Å; I542-V616 HydrophobicContact CB-CG2 4.28Å; I542-V616 PolarHBondContact N-O 3.49Å; I542-G617 WeakPolarHBondContact O-CA 3.36Å
543	V	97.4	Very high	97.5	Very high	35 Å²	35	35.8 Å²	35.8	21%	0.212	22%	0.224	C	C	.	.			trans	-114.7	88.4	-178.6	-67.5	0	0	0	0	110.3	V388 A539 Y609 I619	V388-V543 HydrophobicContact CG1-CB 4.15Å; V388-V543 HydrophobicContact CG1-CG2 3.99Å; A539-V543 HydrophobicContact CB-CG1 4.45Å; A539-V543 HydrophobicContact CB-CG2 4.28Å; V543-Y609 HydrophobicContact CB-CD2 4.37Å; V543-Y609 HydrophobicContact CB-CE1 4.45Å; V543-Y609 HydrophobicContact CB-CE2 4.09Å; V543-Y609 HydrophobicContact CG1-CD2 3.87Å; V543-Y609 HydrophobicContact CG1-CE2 3.81Å; V543-Y609 HydrophobicContact CG1-CG 4.49Å; V543-I619 HydrophobicContact CB-CD1 4.15Å; V543-I619 HydrophobicContact CB-CG1 4.21Å; V543-I619 HydrophobicContact CG1-CD1 4.27Å; V543-I619 HydrophobicContact CG1-CG1 3.78Å
544	D	97.4	Very high	97.3	Very high	68 Å²	68	35 Å²	35	36%	0.364	22%	0.219	S	C	.	.			trans	-128.2	122.2	-177	-177.4	-35.5	0	0	0	108.9	S546 L547 Y609	D544-S546 VanDerWaalsContact CG-OG 3.26Å; D544-S546 PolarHBondContact O-N 3Å; D544-S546 VanDerWaalsContact O-N 3.1Å; D544-S546 VanDerWaalsContact OD1-CB 3.26Å; D544-S546 WeakPolarHBondContact OD1-CB 3.46Å; D544-S546 PolarHBondContact OD1-N 2.89Å; D544-S546 PolarHBondContact OD1-OG 3.48Å; D544-L547 HydrophobicContact CB-CD1 4.2Å; D544-L547 HydrophobicContact CB-CG 4.2Å; D544-L547 WeakPolarHBondContact O-CB 3.47Å; D544-L547 PolarHBondContact O-N 2.94Å; D544-Y609 VanDerWaalsContact O-CD1 3.29Å; D544-Y609 WeakPolarHBondContact O-CD1 3.3Å; D544-Y609 WeakPolarHBondContact O-CE1 3.37Å
545	S	97.6	Very high	97.1	Very high	43 Å²	43	35.9 Å²	35.9	30%	0.301	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.2	-174.8	63.7	0	0	0	0	114.1	G386 K387 V388 L389 L547	G386-S545 WeakPolarHBondContact O-CB 3.05Å; G386-S545 PolarHBondContact O-OG 2.85Å; K387-S545 VanDerWaalsContact C-OG 3.3Å; K387-S545 WeakPolarHBondContact CA-OG 3.42Å; K387-S545 PolarHBondContact O-N 3.13Å; K387-S545 VanDerWaalsContact O-N 3.08Å; K387-S545 PolarHBondContact O-OG 2.86Å; V388-S545 PolarHBondContact O-N 2.92Å; L389-S545 WeakPolarHBondContact O-CB 3.19Å; S545-L547 VanDerWaalsContact C-N 3.31Å
546	S	97.6	Very high	96.8	Very high	96 Å²	96	37.6 Å²	37.6	67%	0.671	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.6	172.3	70.5	0	0	0	0	113.7	D544	D544-S546 VanDerWaalsContact CG-OG 3.26Å; D544-S546 PolarHBondContact O-N 3Å; D544-S546 VanDerWaalsContact O-N 3.1Å; D544-S546 VanDerWaalsContact OD1-CB 3.26Å; D544-S546 WeakPolarHBondContact OD1-CB 3.46Å; D544-S546 PolarHBondContact OD1-N 2.89Å; D544-S546 PolarHBondContact OD1-OG 3.48Å
547	L	98	Very high	96.4	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.152	26%	0.257	C	S	.	.	S	Bend	trans	-75.8	153.2	175.5	-63.6	175.2	0	0	0	111.2	I542 D544 S545 T549 Y609 R611 V616	I542-L547 HydrophobicContact CG2-CD1 3.91Å; D544-L547 HydrophobicContact CB-CD1 4.2Å; D544-L547 HydrophobicContact CB-CG 4.2Å; D544-L547 WeakPolarHBondContact O-CB 3.47Å; D544-L547 PolarHBondContact O-N 2.94Å; S545-L547 VanDerWaalsContact C-N 3.31Å; L547-T549 PolarHBondContact O-N 3.43Å; L547-Y609 HydrophobicContact CB-CD1 4.35Å; L547-Y609 HydrophobicContact CD1-CD1 4.49Å; L547-R611 HydrophobicContact CD2-CG 4.29Å; L547-V616 HydrophobicContact CD1-CG2 4.17Å
548	P	98.2	Very high	95.8	Very high	89 Å²	89	45.9 Å²	45.9	58%	0.578	30%	0.295	S	S	*	.			trans	-55.9	131.6	165.2	-21.4	32.4	0	0	0	110.3	L610	P548-L610 HydrophobicContact CB-CB 4.44Å; P548-L610 PolarHBondContact O-N 2.79Å
549	T	98.3	Very high	95.4	Very high	50 Å²	50	54 Å²	54	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	-179.5	48.9	0	0	0	0	111.8	P390 L547 I607 F608 Y609	P390-T549 HydrophobicContact CG-CG2 4.03Å; L547-T549 PolarHBondContact O-N 3.43Å; T549-I607 HydrophobicContact CG2-CG2 4.14Å; T549-F608 WeakPolarHBondContact CA-O 3.49Å; T549-Y609 HydrophobicContact CG2-CD1 3.39Å; T549-Y609 HydrophobicContact CG2-CD2 4.41Å; T549-Y609 HydrophobicContact CG2-CE1 3.51Å; T549-Y609 HydrophobicContact CG2-CE2 4.49Å; T549-Y609 HydrophobicContact CG2-CG 3.87Å
550	V	97.9	Very high	95.1	Very high	49 Å²	49	54.5 Å²	54.5	30%	0.297	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.2	167.6	177.8	0	0	0	0	107.4	V552 I607 F608 L610 L643	V550-V552 HydrophobicContact CG1-CG2 4.33Å; V550-I607 WeakPolarHBondContact O-CA 3.46Å; V550-F608 PolarHBondContact N-O 3.25Å; V550-F608 PolarHBondContact O-N 3.3Å; V550-L610 HydrophobicContact CG2-CD1 4Å; V550-L643 HydrophobicContact CB-CD1 3.79Å; V550-L643 HydrophobicContact CG1-CB 4.07Å; V550-L643 HydrophobicContact CG1-CD1 4.24Å; V550-L643 HydrophobicContact CG2-CD1 3.79Å
551	G	97.1	Very high	94.9	Very high	37 Å²	37	55.8 Å²	55.8	38%	0.381	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.8	175.1	0	0	0	0	0	110.6	V606	G551-V606 WeakPolarHBondContact CA-O 3.34Å
552	V	96.5	Very high	94.9	Very high	18 Å²	18	55.3 Å²	55.3	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	174.9	-166.4	0	0	0	0	107.6	V550 G605 V606 F608 A647 I652	V550-V552 HydrophobicContact CG1-CG2 4.33Å; V552-G605 CarbonylContact O-C 3.58Å; V552-G605 WeakPolarHBondContact O-CA 3.22Å; V552-V606 HydrophobicContact CB-CG1 4.22Å; V552-V606 PolarHBondContact N-O 2.86Å; V552-V606 PolarHBondContact O-N 3.16Å; V552-F608 HydrophobicContact CG2-CE2 4.47Å; V552-A647 HydrophobicContact CB-CB 3.72Å; V552-A647 HydrophobicContact CG1-CB 3.76Å; V552-A647 HydrophobicContact CG2-CB 3.83Å; V552-I652 HydrophobicContact CB-CG2 4.18Å; V552-I652 HydrophobicContact CG1-CG2 3.65Å
553	F	95.6	Very high	94.9	Very high	41 Å²	41	57.6 Å²	57.6	18%	0.18	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149	-169.2	-55.4	-75	0	0	0	111.3	Y392 Y602 K604 I607 W621	Y392-F553 HydrophobicContact CD1-CD2 4.25Å; Y392-F553 HydrophobicContact CD1-CE1 4.08Å; Y392-F553 AromaticContact CD1-CE2 3.69Å; Y392-F553 HydrophobicContact CD1-CE2 3.69Å; Y392-F553 AromaticContact CD1-CZ 3.6Å; Y392-F553 HydrophobicContact CD1-CZ 3.6Å; Y392-F553 HydrophobicContact CE1-CD1 4.15Å; Y392-F553 HydrophobicContact CE1-CD2 4.12Å; Y392-F553 HydrophobicContact CE1-CE1 4.05Å; Y392-F553 HydrophobicContact CE1-CE2 4.01Å; Y392-F553 HydrophobicContact CE1-CG 4.2Å; Y392-F553 AromaticContact CE1-CZ 3.98Å; Y392-F553 HydrophobicContact CE1-CZ 3.98Å; F553-Y602 HydrophobicContact CB-CD1 3.69Å; F553-Y602 HydrophobicContact CB-CD2 3.93Å; F553-Y602 HydrophobicContact CB-CE1 4.12Å; F553-Y602 HydrophobicContact CB-CE2 4.35Å; F553-Y602 HydrophobicContact CB-CG 3.58Å; F553-Y602 WeakPolarHBondContact O-CE1 2.94Å; F553-K604 WeakPolarHBondContact CA-O 3.4Å; F553-I607 HydrophobicContact CE1-CD1 4.29Å; F553-I607 HydrophobicContact CE1-CG1 4.17Å; F553-I607 HydrophobicContact CZ-CD1 4.15Å; F553-I607 HydrophobicContact CZ-CG1 4.11Å; F553-W621 AromaticContact CD1-CE3 3.86Å; F553-W621 HydrophobicContact CD1-CE3 3.86Å; F553-W621 AromaticContact CD1-CZ3 3.87Å; F553-W621 HydrophobicContact CD1-CZ3 3.87Å; F553-W621 HydrophobicContact CE1-CE3 4.11Å; F553-W621 HydrophobicContact CE1-CZ3 4.35Å
554	A	92.7	Very high	94.7	Very high	8 Å²	8	56.8 Å²	56.8	7%	0.066	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	170.1	176.9	0	0	0	0	0	110.6	G603 K604 I652	A554-G603 PolarHBondContact O-N 3.38Å; A554-K604 HydrophobicContact CB-CG 4.29Å; A554-K604 PolarHBondContact N-O 3.42Å; A554-K604 PolarHBondContact O-N 3.1Å; A554-I652 HydrophobicContact CB-CD1 4.46Å; A554-I652 HydrophobicContact CB-CG2 4.01Å
555	K	92.1	Very high	94.5	Very high	119 Å²	119	53.7 Å²	53.7	52%	0.517	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67	140.5	169.6	-70.7	-178.1	176.9	175	0	109.4	K604	K555-K604 WeakPolarHBondContact O-CD 3.48Å
556	A	90.9	Very high	94.3	Very high	47 Å²	47	51.7 Å²	51.7	39%	0.388	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.5	146.6	172.4	0	0	0	0	0	110.7	D560	A556-D560 HydrophobicContact CB-CB 4.14Å
557	T	89.9	Confident	94.1	Very high	79 Å²	79	52.3 Å²	52.3	49%	0.485	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-96.2	169.3	164.9	73.9	0	0	0	0	109.9	K559 D560	T557-K559 PolarHBondContact O-N 3.3Å; T557-K559 PolarHBondContact OG1-N 3.06Å; T557-D560 WeakPolarHBondContact CA-OD2 3.33Å; T557-D560 VanDerWaalsContact CB-OD2 3.31Å; T557-D560 WeakPolarHBondContact CB-OD2 3.39Å; T557-D560 WeakPolarHBondContact CG2-OD2 3.35Å; T557-D560 PolarHBondContact N-OD2 2.81Å; T557-D560 PolarHBondContact O-N 3.47Å; T557-D560 PolarHBondContact OG1-OD2 3.33Å
558	A	87.3	Confident	93.9	Very high	97 Å²	97	58.1 Å²	58.1	80%	0.802	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.3	175.7	0	0	0	0	0	113.9
559	K	88.6	Confident	93.6	Very high	170 Å²	170	56 Å²	56	74%	0.739	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.4	178.6	-61.8	-176.1	179.1	-175.9	0	113.3	T557 T561 A564	T557-K559 PolarHBondContact O-N 3.3Å; T557-K559 PolarHBondContact OG1-N 3.06Å; K559-T561 PolarHBondContact O-N 2.67Å; K559-A564 WeakPolarHBondContact O-CB 3.37Å
560	D	92.6	Very high	93.3	Very high	18 Å²	18	55 Å²	55	10%	0.096	32%	0.315	C	S	.	.	S	Bend	trans	-88.9	52.5	-173.6	-62.7	-58.5	0	0	0	110.8	A556 T557 K604 N622	A556-D560 HydrophobicContact CB-CB 4.14Å; T557-D560 WeakPolarHBondContact CA-OD2 3.33Å; T557-D560 VanDerWaalsContact CB-OD2 3.31Å; T557-D560 WeakPolarHBondContact CB-OD2 3.39Å; T557-D560 WeakPolarHBondContact CG2-OD2 3.35Å; T557-D560 PolarHBondContact N-OD2 2.81Å; T557-D560 PolarHBondContact O-N 3.47Å; T557-D560 PolarHBondContact OG1-OD2 3.33Å; D560-K604 HydrophobicContact CB-CD 4.12Å; D560-K604 VanDerWaalsContact CG-NZ 3.27Å; D560-K604 IonicContact OD1-NZ 2.67Å; D560-K604 PolarHBondContact OD1-NZ 3.42Å; D560-K604 VanDerWaalsContact OD2-CD 3.29Å; D560-K604 WeakPolarHBondContact OD2-CD 3.43Å; D560-K604 IonicContact OD2-NZ 2.96Å; D560-K604 PolarHBondContact OD2-NZ 2.98Å; D560-N622 HydrophobicContact CB-CB 4.4Å; D560-N622 WeakPolarHBondContact CB-O 3.29Å; D560-N622 VanDerWaalsContact O-CB 3.29Å; D560-N622 WeakPolarHBondContact O-CB 3.48Å; D560-N622 VanDerWaalsContact O-CG 3.25Å
561	T	95	Very high	93	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.178	31%	0.305	C	S	.	.	S	Bend	trans	-137.7	152.3	178.9	63.8	0	0	0	0	111.7	K559 K563 A564 A565 F624	K559-T561 PolarHBondContact O-N 2.67Å; T561-K563 PolarHBondContact O-N 3.31Å; T561-A564 PolarHBondContact O-N 2.86Å; T561-A564 WeakPolarHBondContact OG1-CB 3.35Å; T561-A564 PolarHBondContact OG1-N 3.34Å; T561-A565 PolarHBondContact O-N 2.88Å; T561-F624 VanDerWaalsContact C-CE2 3.41Å
562	P	95.7	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-49.4	-42.1	170.8	-30.4	35.5	0	0	0	113.9	D530 P533 D534 A565 T566 R574 F624	D530-P562 HydrophobicContact CB-CB 4.4Å; D530-P562 HydrophobicContact CB-CG 4.37Å; P533-P562 WeakPolarHBondContact O-CB 3.34Å; P533-P562 VanDerWaalsContact O-CD 3.24Å; P533-P562 WeakPolarHBondContact O-CD 3.38Å; D534-P562 VanDerWaalsContact C-CD 3.45Å; P562-A565 PolarHBondContact O-N 2.98Å; P562-T566 WeakPolarHBondContact O-CB 3.39Å; P562-T566 PolarHBondContact O-N 3.49Å; P562-T566 PolarHBondContact O-OG1 3.13Å; P562-T566 VanDerWaalsContact O-OG1 3.06Å; P562-R574 VanDerWaalsContact C-NH2 3.29Å; P562-R574 VanDerWaalsContact CB-NH2 3.27Å; P562-R574 PolarHBondContact O-NH1 3.46Å; P562-R574 PolarHBondContact O-NH2 2.82Å; P562-F624 HydrophobicContact CG-CZ 4.06Å
563	K	95.8	Very high	92.5	Very high	88 Å²	88	50.9 Å²	50.9	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-52.8	178.9	179.3	175	176.5	-175.8	0	111.9	W241 P533 T561 A565 T566 E567	W241-K563 HydrophobicContact CB-CB 4.09Å; W241-K563 HydrophobicContact CB-CG 4.23Å; P533-K563 HydrophobicContact CB-CB 4Å; P533-K563 WeakPolarHBondContact O-CB 3.31Å; P533-K563 PolarHBondContact O-N 3.47Å; T561-K563 PolarHBondContact O-N 3.31Å; K563-A565 VanDerWaalsContact C-N 3.31Å; K563-A565 PolarHBondContact O-N 3.26Å; K563-T566 PolarHBondContact O-N 3.24Å; K563-T566 VanDerWaalsContact O-N 3.09Å; K563-E567 WeakPolarHBondContact CE-OE1 3.27Å; K563-E567 WeakPolarHBondContact O-CG 3.17Å; K563-E567 PolarHBondContact O-N 3.37Å
564	A	93.3	Very high	92.4	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-42	179.4	0	0	0	0	0	111.8	K559 T561 T566 E567 E568	K559-A564 WeakPolarHBondContact O-CB 3.37Å; T561-A564 PolarHBondContact O-N 2.86Å; T561-A564 WeakPolarHBondContact OG1-CB 3.35Å; T561-A564 PolarHBondContact OG1-N 3.34Å; A564-T566 VanDerWaalsContact C-N 3.31Å; A564-T566 PolarHBondContact O-N 3.29Å; A564-E567 PolarHBondContact O-N 3Å; A564-E568 PolarHBondContact O-N 3.49Å
565	A	93.1	Very high	92.2	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-32.9	176.4	0	0	0	0	0	112.9	T561 P562 K563 S569 R574 F624	T561-A565 PolarHBondContact O-N 2.88Å; P562-A565 PolarHBondContact O-N 2.98Å; K563-A565 VanDerWaalsContact C-N 3.31Å; K563-A565 PolarHBondContact O-N 3.26Å; A565-S569 WeakPolarHBondContact O-CB 3.33Å; A565-S569 PolarHBondContact O-N 2.8Å; A565-S569 VanDerWaalsContact O-N 3.07Å; A565-S569 PolarHBondContact O-OG 3.41Å; A565-R574 VanDerWaalsContact CB-NH1 3.27Å; A565-F624 HydrophobicContact CB-CB 3.98Å; A565-F624 HydrophobicContact CB-CD1 4.16Å; A565-F624 HydrophobicContact CB-CD2 3.94Å; A565-F624 HydrophobicContact CB-CG 3.75Å
566	T	93.9	Very high	92	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-77	-30.9	174.7	-65.9	0	0	0	0	112.9	Q240 W241 N242 P562 K563 A564 G570 T571 R574	Q240-T566 HydrophobicContact CB-CG2 4.15Å; W241-T566 HydrophobicContact CB-CG2 4.17Å; N242-T566 HydrophobicContact CB-CG2 4Å; N242-T566 PolarHBondContact ND2-O 3.31Å; P562-T566 WeakPolarHBondContact O-CB 3.39Å; P562-T566 PolarHBondContact O-N 3.49Å; P562-T566 PolarHBondContact O-OG1 3.13Å; P562-T566 VanDerWaalsContact O-OG1 3.06Å; K563-T566 PolarHBondContact O-N 3.24Å; K563-T566 VanDerWaalsContact O-N 3.09Å; A564-T566 VanDerWaalsContact C-N 3.31Å; A564-T566 PolarHBondContact O-N 3.29Å; T566-G570 VanDerWaalsContact O-CA 3.29Å; T566-G570 WeakPolarHBondContact O-CA 3.39Å; T566-G570 PolarHBondContact O-N 2.93Å; T566-T571 PolarHBondContact OG1-O 2.95Å; T566-R574 PolarHBondContact OG1-NH1 2.61Å; T566-R574 PolarHBondContact OG1-NH2 3.35Å
567	E	94	Very high	91.8	Very high	110 Å²	110	46.6 Å²	46.6	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-42.7	171.1	-72.9	171.6	174.1	0	0	111.2	N242 K563 A564	N242-E567 HydrophobicContact CB-CB 4.41Å; N242-E567 HydrophobicContact CB-CG 3.69Å; K563-E567 WeakPolarHBondContact CE-OE1 3.27Å; K563-E567 WeakPolarHBondContact O-CG 3.17Å; K563-E567 PolarHBondContact O-N 3.37Å; A564-E567 PolarHBondContact O-N 3Å
568	E	92.9	Very high	91.9	Very high	150 Å²	150	42.9 Å²	42.9	70%	0.701	24%	0.236	S	C	*	.	H	α-helix	trans	-68.1	-48.8	178.2	-176.2	176.6	-167.7	0	0	112.7	A564 N625	A564-E568 PolarHBondContact O-N 3.49Å; E568-N625 PolarHBondContact OE2-ND2 2.74Å
569	S	91.4	Very high	91.9	Very high	46 Å²	46	41.2 Å²	41.2	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-85.5	-20.4	-174.5	63	0	0	0	0	114.5	A565 T571	A565-S569 WeakPolarHBondContact O-CB 3.33Å; A565-S569 PolarHBondContact O-N 2.8Å; A565-S569 VanDerWaalsContact O-N 3.07Å; A565-S569 PolarHBondContact O-OG 3.41Å; S569-T571 VanDerWaalsContact C-N 3.27Å; S569-T571 PolarHBondContact O-N 3.23Å; S569-T571 PolarHBondContact OG-N 3.22Å; S569-T571 PolarHBondContact OG-O 2.87Å
570	G	93.4	Very high	91.8	Very high	27 Å²	27	36.6 Å²	36.6	28%	0.278	20%	0.197	S	C	.	.	S	Bend	trans	78.3	1	-172.4	0	0	0	0	0	115.3	T566	T566-G570 VanDerWaalsContact O-CA 3.29Å; T566-G570 WeakPolarHBondContact O-CA 3.39Å; T566-G570 PolarHBondContact O-N 2.93Å
571	T	91.1	Very high	91.3	Very high	14 Å²	14	41.1 Å²	41.1	9%	0.086	22%	0.221	C	C	.	.			trans	-134.4	142.9	-178.1	-174.9	0	0	0	0	113.2	Q240 R246 T566 S569 I573 E576	Q240-T571 VanDerWaalsContact OE1-CA 3.26Å; R246-T571 PolarHBondContact NH1-OG1 3.13Å; T566-T571 PolarHBondContact OG1-O 2.95Å; S569-T571 VanDerWaalsContact C-N 3.27Å; S569-T571 PolarHBondContact O-N 3.23Å; S569-T571 PolarHBondContact OG-N 3.22Å; S569-T571 PolarHBondContact OG-O 2.87Å; T571-I573 PolarHBondContact OG1-N 2.67Å; T571-E576 HydrophobicContact CG2-CB 4.03Å; T571-E576 PolarHBondContact OG1-OE2 2.88Å
572	G	90.1	Very high	90.4	Very high	1 Å²	1	42 Å²	42	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	-86.1	-10.7	169.9	0	0	0	0	0	113.9	R574	G572-R574 PolarHBondContact O-N 2.83Å
573	I	93.9	Very high	89.3	Confident	3 Å²	3	43 Å²	43	2%	0.015	24%	0.235	C	C	.	.			trans	-85.8	94.7	178.9	-55.8	-57.2	0	0	0	108.6	M216 W528 T571 S575 E576	M216-I573 HydrophobicContact SD-CD1 3.79Å; M216-I573 HydrophobicContact SD-CG1 4.15Å; W528-I573 HydrophobicContact CH2-CG2 3.75Å; W528-I573 HydrophobicContact CZ2-CB 4.49Å; W528-I573 HydrophobicContact CZ2-CD1 4.11Å; W528-I573 HydrophobicContact CZ2-CG2 4.1Å; T571-I573 PolarHBondContact OG1-N 2.67Å; I573-S575 PolarHBondContact O-N 3.17Å; I573-S575 VanDerWaalsContact O-N 3.15Å; I573-E576 HydrophobicContact CB-CG 4.08Å; I573-E576 HydrophobicContact CG2-CG 3.8Å; I573-E576 WeakPolarHBondContact O-CB 3.17Å; I573-E576 PolarHBondContact O-N 3.25Å
574	R	92.4	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-31.9	-170.6	-57.1	-66.1	170.3	-152.6	-11.5	114.4	M526 W528 D530 P562 A565 T566 G572 E576 S577 E578	M526-R574 HydrophobicContact CE-CB 4.12Å; W528-R574 HydrophobicContact CB-CB 3.84Å; W528-R574 HydrophobicContact CB-CG 3.77Å; W528-R574 HydrophobicContact CD2-CB 3.73Å; W528-R574 HydrophobicContact CD2-CG 3.93Å; W528-R574 HydrophobicContact CE3-CB 4.16Å; W528-R574 HydrophobicContact CG-CB 3.55Å; W528-R574 HydrophobicContact CG-CG 3.36Å; D530-R574 IonicContact OD1-NE 3.11Å; D530-R574 IonicContact OD2-CZ 2.82Å; D530-R574 IonicContact OD2-NE 3.61Å; D530-R574 IonicContact OD2-NH2 2.69Å; D530-R574 PolarHBondContact OD2-NH2 2.76Å; P562-R574 VanDerWaalsContact C-NH2 3.29Å; P562-R574 VanDerWaalsContact CB-NH2 3.27Å; P562-R574 PolarHBondContact O-NH1 3.46Å; P562-R574 PolarHBondContact O-NH2 2.82Å; A565-R574 VanDerWaalsContact CB-NH1 3.27Å; T566-R574 PolarHBondContact OG1-NH1 2.61Å; T566-R574 PolarHBondContact OG1-NH2 3.35Å; G572-R574 PolarHBondContact O-N 2.83Å; R574-E576 PolarHBondContact O-N 3.11Å; R574-S577 WeakPolarHBondContact CA-OG 3.3Å; R574-S577 PolarHBondContact O-N 3.24Å; R574-S577 PolarHBondContact O-OG 3.05Å; R574-S577 VanDerWaalsContact O-OG 3.04Å; R574-E578 WeakPolarHBondContact O-CB 3.42Å; R574-E578 WeakPolarHBondContact O-CG 3.4Å; R574-E578 PolarHBondContact O-N 3.16Å
575	S	88.2	Confident	86.8	Confident	8 Å²	8	47.5 Å²	47.5	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-24.9	175.5	60.5	0	0	0	0	113.5	H500 I573	H500-S575 PolarHBondContact ND1-OG 2.66Å; H500-S575 VanDerWaalsContact ND1-OG 3.11Å; I573-S575 PolarHBondContact O-N 3.17Å; I573-S575 VanDerWaalsContact O-N 3.15Å
576	E	89.2	Confident	85.2	Confident	94 Å²	94	49.5 Å²	49.5	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-75.7	-46	173.1	-63.3	169.7	-179.9	0	0	110.7	R246 T571 I573 R574 T579	R246-E576 IonicContact CZ-OE1 3.86Å; R246-E576 IonicContact CZ-OE2 3.59Å; R246-E576 IonicContact NH1-OE1 3.09Å; R246-E576 IonicContact NH1-OE2 3.73Å; R246-E576 PolarHBondContact NH1-OE2 2.91Å; R246-E576 VanDerWaalsContact NH1-OE2 3.09Å; R246-E576 IonicContact NH2-OE1 3.62Å; R246-E576 PolarHBondContact NH2-OE1 2.98Å; R246-E576 IonicContact NH2-OE2 3.3Å; T571-E576 HydrophobicContact CG2-CB 4.03Å; T571-E576 PolarHBondContact OG1-OE2 2.88Å; I573-E576 HydrophobicContact CB-CG 4.08Å; I573-E576 HydrophobicContact CG2-CG 3.8Å; I573-E576 WeakPolarHBondContact O-CB 3.17Å; I573-E576 PolarHBondContact O-N 3.25Å; R574-E576 PolarHBondContact O-N 3.11Å; E576-T579 PolarHBondContact O-N 3.09Å
577	S	86.9	Confident	83.1	Confident	23 Å²	23	55 Å²	55	16%	0.161	33%	0.326	C	S	.	.	H	α-helix	trans	-71.9	-37.1	-176.8	58	0	0	0	0	113.8	R574 T579	R574-S577 WeakPolarHBondContact CA-OG 3.3Å; R574-S577 PolarHBondContact O-N 3.24Å; R574-S577 PolarHBondContact O-OG 3.05Å; R574-S577 VanDerWaalsContact O-OG 3.04Å; S577-T579 PolarHBondContact O-N 2.98Å
578	E	90.2	Very high	80.9	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.009	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.1	179	-76.2	-50.6	124	0	0	113.9	M526 R574 N625 R626 M627 P628	M526-E578 HydrophobicContact CE-CB 4.42Å; M526-E578 HydrophobicContact CE-CG 3.89Å; M526-E578 HydrophobicContact SD-CB 3.69Å; M526-E578 HydrophobicContact SD-CG 3.8Å; R574-E578 WeakPolarHBondContact O-CB 3.42Å; R574-E578 WeakPolarHBondContact O-CG 3.4Å; R574-E578 PolarHBondContact O-N 3.16Å; E578-N625 WeakPolarHBondContact OE1-CA 3.17Å; E578-N625 PolarHBondContact OE1-N 2.88Å; E578-N625 WeakPolarHBondContact OE2-CA 3.38Å; E578-N625 PolarHBondContact OE2-N 2.7Å; E578-R626 PolarHBondContact OE2-N 3.15Å; E578-M627 HydrophobicContact CB-CB 3.84Å; E578-M627 HydrophobicContact CG-CB 3.74Å; E578-M627 WeakPolarHBondContact OE2-CB 3.5Å; E578-M627 PolarHBondContact OE2-N 2.8Å; E578-P628 WeakPolarHBondContact O-CG 3.45Å
579	T	88.3	Confident	78.3	Confident	61 Å²	61	50 Å²	50	37%	0.374	32%	0.32	S	S	.	.			trans	60	168.3	-168	78.1	0	0	0	0	113.1	E576 S577 D581 R631	E576-T579 PolarHBondContact O-N 3.09Å; S577-T579 PolarHBondContact O-N 2.98Å; T579-D581 PolarHBondContact OG1-N 3.35Å; T579-R631 PolarHBondContact O-NH1 2.91Å; T579-R631 PolarHBondContact O-NH2 3.42Å
580	E	86.8	Confident	75.6	Confident	73 Å²	73	53.1 Å²	53.1	34%	0.341	35%	0.348	S	S	.	.	S	Bend	trans	-91.8	-4.8	175.3	-60.2	175.7	174	0	0	112.2	V505 R508	V505-E580 HydrophobicContact CG2-CG 4.16Å; V505-E580 WeakPolarHBondContact CG2-OE1 3.39Å; R508-E580 IonicContact CZ-OE1 3.77Å; R508-E580 IonicContact CZ-OE2 3.2Å; R508-E580 IonicContact NH1-OE1 3.66Å; R508-E580 PolarHBondContact NH1-OE1 3.45Å; R508-E580 IonicContact NH1-OE2 2.82Å; R508-E580 IonicContact NH2-OE1 2.88Å; R508-E580 PolarHBondContact NH2-OE1 2.95Å; R508-E580 IonicContact NH2-OE2 2.76Å; R508-E580 PolarHBondContact NH2-OE2 2.99Å
581	D	82.4	Confident	72.9	Confident	113 Å²	113	56.1 Å²	56.1	60%	0.604	37%	0.371	S	S	*	.			trans	-77.8	162.8	-171.3	-70.3	-36.2	0	0	0	113.2	T579 R631	T579-D581 PolarHBondContact OG1-N 3.35Å; D581-R631 WeakPolarHBondContact O-CD 3.41Å; D581-R631 PolarHBondContact O-NH1 2.82Å
582	T	75.1	Confident	70.3	Confident	48 Å²	48	61.6 Å²	61.6	29%	0.294	41%	0.406	S	S	.	.			trans	-107.4	139.4	169.8	-53.9	0	0	0	0	108.8	S584 R631 K632 K635	T582-S584 PolarHBondContact O-N 3.44Å; T582-R631 HydrophobicContact CG2-CB 4.03Å; T582-K632 HydrophobicContact CG2-CB 3.73Å; T582-K632 HydrophobicContact CG2-CD 3.97Å; T582-K632 HydrophobicContact CG2-CG 4.44Å; T582-K635 HydrophobicContact CG2-CD 4.3Å
583	A	73.8	Confident	67.5	Low	22 Å²	22	66.2 Å²	66.2	18%	0.182	44%	0.444	C	S	.	.			trans	-57.9	139.3	178.5	0	0	0	0	0	111.8	P628 I629 K632	A583-P628 HydrophobicContact CB-CB 4.25Å; A583-P628 PolarHBondContact N-O 3.01Å; A583-I629 HydrophobicContact CB-CG1 4.28Å; A583-K632 HydrophobicContact CB-CB 4.35Å; A583-K632 WeakPolarHBondContact O-CD 3.46Å
584	S	70.4	Confident	64.8	Low	125 Å²	125	70.9 Å²	70.9	87%	0.874	48%	0.475	S	S	*	.	S	Bend	trans	-74.5	-30.4	178.6	57.2	0	0	0	0	112.8	T582	T582-S584 PolarHBondContact O-N 3.44Å
585	S	65.8	Low	62.1	Low	75 Å²	75	77.5 Å²	77.5	52%	0.524	52%	0.515	S	S	.	.			trans	-148.4	144.3	177.3	-173.2	0	0	0	0	110.8	V587	S585-V587 WeakPolarHBondContact OG-CG2 3.31Å
586	A	58.2	Low	59.7	Low	44 Å²	44	80.7 Å²	80.7	36%	0.364	53%	0.534	S	S	.	.			trans	-105.8	78.7	175.6	0	0	0	0	0	109	L649	A586-L649 HydrophobicContact CB-CD1 3.97Å; A586-L649 HydrophobicContact CB-CD2 4.32Å
587	V	49.6	Very low	57	Low	115 Å²	115	81.2 Å²	81.2	70%	0.697	55%	0.548	S	S	*	.			trans	-123.2	120.3	176.8	-179.3	0	0	0	0	109	S585	S585-V587 WeakPolarHBondContact OG-CG2 3.31Å
588	A	48.2	Very low	55	Low	40 Å²	40	88.2 Å²	88.2	33%	0.331	58%	0.578	S	S	.	*			trans	-77.2	140.2	171.7	0	0	0	0	0	110.1	K648 L649	A588-K648 HydrophobicContact CB-CB 4.42Å; A588-L649 HydrophobicContact CB-CD2 4.05Å
589	P	38	Very low	52.9	Low	117 Å²	117	98.8 Å²	98.8	76%	0.76	62%	0.617	S	S	*	*			trans	-68.5	135.9	165.8	25.2	-27.4	0	0	0	110.3
590	A	35.4	Very low	51.1	Low	111 Å²	111	103 Å²	103	92%	0.917	64%	0.638	S	S	*	*			trans	-81.8	115.2	-180	0	0	0	0	0	110.9
591	A	37.3	Very low	50.6	Low	90 Å²	90	107.2 Å²	107.2	74%	0.744	66%	0.657	S	S	*	*			trans	-126.1	143.2	165.3	0	0	0	0	0	109.4
592	P	35.1	Very low	51.2	Low	129 Å²	129	107.3 Å²	107.3	84%	0.838	65%	0.65	S	S	*	*			trans	-78.7	150.2	-172.4	30.6	-32.7	0	0	0	113.2
593	A	32.3	Very low	52.1	Low	97 Å²	97	105.7 Å²	105.7	80%	0.802	64%	0.643	S	S	*	*			trans	-87.9	138.2	-170.4	0	0	0	0	0	114.4
594	P	37.5	Very low	53.1	Low	101 Å²	101	105.3 Å²	105.3	66%	0.656	64%	0.637	S	S	*	*			trans	-99.6	-179.4	157.6	12.1	9.2	0	0	0	112.5
595	V	36	Very low	54.4	Low	140 Å²	140	99.3 Å²	99.3	85%	0.848	60%	0.595	S	S	*	*			trans	-105.1	137.8	-163	179.5	0	0	0	0	113.2
596	V	38.2	Very low	56	Low	75 Å²	75	95.8 Å²	95.8	46%	0.455	57%	0.57	S	S	.	*			trans	-67.6	145.3	-174.1	-179.8	0	0	0	0	115.5
597	S	31.6	Very low	57.9	Low	104 Å²	104	93.8 Å²	93.8	73%	0.727	55%	0.553	S	S	*	*			trans	-129.5	131.1	156.2	74.4	0	0	0	0	111.8
598	H	44.2	Very low	60.2	Low	171 Å²	171	88.3 Å²	88.3	79%	0.792	52%	0.52	S	S	*	.			trans	-76.1	127.3	179.7	-78.4	-73.3	0	0	0	112.7
599	R	46.3	Very low	62.6	Low	223 Å²	223	86.4 Å²	86.4	84%	0.842	50%	0.504	S	S	*	.			trans	171.7	118.7	133.4	-93.5	171.6	-173.2	-172.1	2.4	112.4
600	D	51	Low	65.4	Low	149 Å²	149	81.9 Å²	81.9	80%	0.797	47%	0.474	S	S	*	.	S	Bend	trans	75.7	6.6	134.1	-59.8	-21.3	0	0	0	126.7
601	E	76.8	Confident	68.3	Low	162 Å²	162	82.8 Å²	82.8	76%	0.757	45%	0.453	S	S	*	.			trans	-143	70.3	173.7	-66.5	-173.6	172.3	0	0	114.8
602	Y	93.4	Very high	70.8	Confident	116 Å²	116	87.2 Å²	87.2	46%	0.455	46%	0.459	S	S	.	.			trans	-65.2	141.8	161.7	-61.3	-58.5	0	0	0	109.8	Y392 F553 W621	Y392-Y602 WeakPolarHBondContact OH-CB 3.34Å; Y392-Y602 WeakPolarHBondContact OH-CD2 3.39Å; F553-Y602 HydrophobicContact CB-CD1 3.69Å; F553-Y602 HydrophobicContact CB-CD2 3.93Å; F553-Y602 HydrophobicContact CB-CE1 4.12Å; F553-Y602 HydrophobicContact CB-CE2 4.35Å; F553-Y602 HydrophobicContact CB-CG 3.58Å; F553-Y602 WeakPolarHBondContact O-CE1 2.94Å; Y602-W621 WeakPolarHBondContact O-CH2 3.48Å
603	G	93.9	Very high	73.3	Confident	13 Å²	13	87.7 Å²	87.7	13%	0.134	45%	0.448	C	S	.	.			trans	-131.2	-6.8	-179.1	0	0	0	0	0	114.6	A554 W621 N622	A554-G603 PolarHBondContact O-N 3.38Å; G603-W621 VanDerWaalsContact C-CZ2 3.45Å; G603-W621 WeakPolarHBondContact O-CZ2 3.46Å; G603-N622 WeakPolarHBondContact O-CB 3.15Å; G603-N622 PolarHBondContact O-ND2 3.03Å
604	K	96.8	Very high	76.3	Confident	14 Å²	14	84.9 Å²	84.9	6%	0.061	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.5	177.5	63	-175	-95.3	174.8	0	111.2	F553 A554 K555 D560 W621 N622 V623 I652	F553-K604 WeakPolarHBondContact CA-O 3.4Å; A554-K604 HydrophobicContact CB-CG 4.29Å; A554-K604 PolarHBondContact N-O 3.42Å; A554-K604 PolarHBondContact O-N 3.1Å; K555-K604 WeakPolarHBondContact O-CD 3.48Å; D560-K604 HydrophobicContact CB-CD 4.12Å; D560-K604 VanDerWaalsContact CG-NZ 3.27Å; D560-K604 IonicContact OD1-NZ 2.67Å; D560-K604 PolarHBondContact OD1-NZ 3.42Å; D560-K604 VanDerWaalsContact OD2-CD 3.29Å; D560-K604 WeakPolarHBondContact OD2-CD 3.43Å; D560-K604 IonicContact OD2-NZ 2.96Å; D560-K604 PolarHBondContact OD2-NZ 2.98Å; K604-W621 CarbonylContact C-O 3.52Å; K604-W621 WeakPolarHBondContact CA-O 3.46Å; K604-W621 WeakPolarHBondContact CB-O 3.14Å; K604-N622 HydrophobicContact CB-CB 3.87Å; K604-V623 HydrophobicContact CB-CG2 4.3Å; K604-I652 HydrophobicContact CD-CD1 4.37Å; K604-I652 VanDerWaalsContact CE-CD1 3.46Å; K604-I652 HydrophobicContact CG-CD1 4.11Å
605	G	97.3	Very high	79.1	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	177.5	173.1	0	0	0	0	0	114.7	V552 W621	V552-G605 CarbonylContact O-C 3.58Å; V552-G605 WeakPolarHBondContact O-CA 3.22Å; G605-W621 PolarHBondContact N-O 3Å; G605-W621 PolarHBondContact O-N 2.97Å
606	V	98.4	Very high	82	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.6	174	60.7	0	0	0	0	109.5	G551 V552 F608 I618 I619 L620 A647 F650 I652	G551-V606 WeakPolarHBondContact CA-O 3.34Å; V552-V606 HydrophobicContact CB-CG1 4.22Å; V552-V606 PolarHBondContact N-O 2.86Å; V552-V606 PolarHBondContact O-N 3.16Å; V606-F608 HydrophobicContact CB-CE2 4.46Å; V606-F608 HydrophobicContact CB-CZ 4.39Å; V606-F608 HydrophobicContact CG1-CE2 3.65Å; V606-F608 HydrophobicContact CG1-CZ 3.8Å; V606-F608 HydrophobicContact CG2-CD1 4.39Å; V606-F608 HydrophobicContact CG2-CD2 4.48Å; V606-F608 HydrophobicContact CG2-CE1 3.86Å; V606-F608 HydrophobicContact CG2-CE2 3.97Å; V606-F608 HydrophobicContact CG2-CZ 3.62Å; V606-I618 HydrophobicContact CG2-CG2 3.77Å; V606-I619 CarbonylContact C-O 3.5Å; V606-I619 WeakPolarHBondContact CA-O 3.47Å; V606-L620 HydrophobicContact CB-CD2 4.08Å; V606-L620 HydrophobicContact CG2-CD2 3.77Å; V606-A647 HydrophobicContact CG1-CB 3.74Å; V606-F650 HydrophobicContact CB-CB 4.49Å; V606-F650 HydrophobicContact CB-CD2 4.38Å; V606-F650 HydrophobicContact CB-CG 4.36Å; V606-F650 HydrophobicContact CG1-CD2 4.32Å; V606-F650 HydrophobicContact CG2-CD2 4.05Å; V606-F650 HydrophobicContact CG2-CE2 4.17Å; V606-F650 HydrophobicContact CG2-CG 4.29Å; V606-I652 HydrophobicContact CG1-CG1 4.08Å
607	I	98.6	Very high	84.9	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	175.6	-55.5	-179.1	0	0	0	108.5	P390 L393 T549 V550 F553 Y609 I618 I619	P390-I607 HydrophobicContact CG-CD1 4.11Å; P390-I607 HydrophobicContact CG-CG2 3.87Å; L393-I607 HydrophobicContact CB-CD1 4.21Å; L393-I607 HydrophobicContact CD2-CD1 3.64Å; T549-I607 HydrophobicContact CG2-CG2 4.14Å; V550-I607 WeakPolarHBondContact O-CA 3.46Å; F553-I607 HydrophobicContact CE1-CD1 4.29Å; F553-I607 HydrophobicContact CE1-CG1 4.17Å; F553-I607 HydrophobicContact CZ-CD1 4.15Å; F553-I607 HydrophobicContact CZ-CG1 4.11Å; I607-Y609 HydrophobicContact CB-CE2 4.28Å; I607-Y609 HydrophobicContact CG2-CD2 4.36Å; I607-Y609 HydrophobicContact CG2-CE2 3.74Å; I607-I618 CarbonylContact O-C 3.57Å; I607-I618 VanDerWaalsContact O-CA 3.29Å; I607-I618 WeakPolarHBondContact O-CA 3.38Å; I607-I619 HydrophobicContact CB-CB 4.3Å; I607-I619 PolarHBondContact N-O 3.01Å; I607-I619 PolarHBondContact O-N 3.42Å
608	F	98.5	Very high	88.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.3	175.4	-55.8	-79.4	0	0	0	110.2	T549 V550 V552 V606 L610 V615 I618 L643 V646 A647 F650	T549-F608 WeakPolarHBondContact CA-O 3.49Å; V550-F608 PolarHBondContact N-O 3.25Å; V550-F608 PolarHBondContact O-N 3.3Å; V552-F608 HydrophobicContact CG2-CE2 4.47Å; V606-F608 HydrophobicContact CB-CE2 4.46Å; V606-F608 HydrophobicContact CB-CZ 4.39Å; V606-F608 HydrophobicContact CG1-CE2 3.65Å; V606-F608 HydrophobicContact CG1-CZ 3.8Å; V606-F608 HydrophobicContact CG2-CD1 4.39Å; V606-F608 HydrophobicContact CG2-CD2 4.48Å; V606-F608 HydrophobicContact CG2-CE1 3.86Å; V606-F608 HydrophobicContact CG2-CE2 3.97Å; V606-F608 HydrophobicContact CG2-CZ 3.62Å; F608-L610 HydrophobicContact CB-CD2 4.31Å; F608-V615 HydrophobicContact CB-CG1 4.49Å; F608-V615 HydrophobicContact CB-CG2 4.28Å; F608-V615 HydrophobicContact CD1-CG1 4.09Å; F608-V615 HydrophobicContact CD1-CG2 4.08Å; F608-I618 HydrophobicContact CD1-CD1 4.08Å; F608-I618 HydrophobicContact CD1-CG1 3.91Å; F608-I618 HydrophobicContact CE1-CD1 4.08Å; F608-I618 HydrophobicContact CE1-CG1 4.34Å; F608-L643 HydrophobicContact CB-CD1 4.17Å; F608-L643 HydrophobicContact CB-CD2 4.41Å; F608-L643 HydrophobicContact CD1-CD2 4.27Å; F608-L643 HydrophobicContact CD2-CB 4.07Å; F608-L643 HydrophobicContact CD2-CD1 4.39Å; F608-L643 HydrophobicContact CD2-CD2 4.08Å; F608-L643 HydrophobicContact CD2-CG 4.41Å; F608-L643 HydrophobicContact CE2-CB 4.27Å; F608-L643 HydrophobicContact CE2-CD2 4.41Å; F608-L643 HydrophobicContact CG-CD1 4.43Å; F608-L643 HydrophobicContact CG-CD2 4Å; F608-V646 HydrophobicContact CE1-CG1 3.93Å; F608-V646 HydrophobicContact CZ-CB 4.24Å; F608-V646 HydrophobicContact CZ-CG1 3.86Å; F608-A647 HydrophobicContact CE2-CB 4.31Å; F608-F650 AromaticContact CE1-CE2 3.95Å; F608-F650 HydrophobicContact CE1-CE2 3.95Å; F608-F650 HydrophobicContact CZ-CD2 4.25Å; F608-F650 AromaticContact CZ-CE2 4Å; F608-F650 HydrophobicContact CZ-CE2 4Å
609	Y	98.4	Very high	90.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.6	173.7	-64.9	-103.4	0	0	0	109	V388 P390 I542 V543 D544 L547 T549 I607 V615 V616 G617 I619	V388-Y609 WeakPolarHBondContact O-CE1 3.2Å; V388-Y609 PolarHBondContact O-OH 3.42Å; P390-Y609 WeakPolarHBondContact CD-OH 3.41Å; I542-Y609 WeakPolarHBondContact O-CB 3.22Å; V543-Y609 HydrophobicContact CB-CD2 4.37Å; V543-Y609 HydrophobicContact CB-CE1 4.45Å; V543-Y609 HydrophobicContact CB-CE2 4.09Å; V543-Y609 HydrophobicContact CG1-CD2 3.87Å; V543-Y609 HydrophobicContact CG1-CE2 3.81Å; V543-Y609 HydrophobicContact CG1-CG 4.49Å; D544-Y609 VanDerWaalsContact O-CD1 3.29Å; D544-Y609 WeakPolarHBondContact O-CD1 3.3Å; D544-Y609 WeakPolarHBondContact O-CE1 3.37Å; L547-Y609 HydrophobicContact CB-CD1 4.35Å; L547-Y609 HydrophobicContact CD1-CD1 4.49Å; T549-Y609 HydrophobicContact CG2-CD1 3.39Å; T549-Y609 HydrophobicContact CG2-CD2 4.41Å; T549-Y609 HydrophobicContact CG2-CE1 3.51Å; T549-Y609 HydrophobicContact CG2-CE2 4.49Å; T549-Y609 HydrophobicContact CG2-CG 3.87Å; I607-Y609 HydrophobicContact CB-CE2 4.28Å; I607-Y609 HydrophobicContact CG2-CD2 4.36Å; I607-Y609 HydrophobicContact CG2-CE2 3.74Å; Y609-V615 WeakPolarHBondContact O-CA 3.49Å; Y609-V616 WeakPolarHBondContact O-CG2 3.35Å; Y609-V616 PolarHBondContact O-N 2.91Å; Y609-G617 PolarHBondContact N-O 2.9Å; Y609-G617 PolarHBondContact O-N 3.38Å; Y609-I619 HydrophobicContact CE2-CB 4.27Å; Y609-I619 HydrophobicContact CE2-CD1 3.92Å; Y609-I619 HydrophobicContact CE2-CG1 3.78Å; Y609-I619 WeakPolarHBondContact OH-CD1 3.04Å
610	L	97.3	Very high	93.2	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143	-166.8	-53.9	176	0	0	0	112.5	P548 V550 F608 V614 V615 L643	P548-L610 HydrophobicContact CB-CB 4.44Å; P548-L610 PolarHBondContact O-N 2.79Å; V550-L610 HydrophobicContact CG2-CD1 4Å; F608-L610 HydrophobicContact CB-CD2 4.31Å; L610-V614 WeakPolarHBondContact CA-O 3.47Å; L610-V615 HydrophobicContact CD2-CB 4.47Å; L610-V615 HydrophobicContact CD2-CG2 3.77Å; L610-L643 HydrophobicContact CD1-CD1 3.88Å; L610-L643 HydrophobicContact CD2-CD1 3.87Å; L610-L643 HydrophobicContact CG-CD1 4.41Å
611	R	94.9	Very high	95.4	Very high	130 Å²	130	40.1 Å²	40.1	49%	0.491	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.6	158.7	-72.3	-177.1	-179.4	176.4	-0.6	107.7	L547 K613 V614 V616	L547-R611 HydrophobicContact CD2-CG 4.29Å; R611-K613 PolarHBondContact O-N 2.91Å; R611-K613 VanDerWaalsContact O-N 3.16Å; R611-V614 PolarHBondContact N-O 2.91Å; R611-V614 WeakPolarHBondContact O-CB 3.47Å; R611-V614 PolarHBondContact O-N 3.12Å; R611-V616 HydrophobicContact CB-CG1 3.96Å; R611-V616 HydrophobicContact CG-CG1 4.16Å; R611-V616 HydrophobicContact CG-CG2 4.01Å
612	E	89.6	Confident	96.4	Very high	183 Å²	183	32.7 Å²	32.7	86%	0.855	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.1	179.2	-57.6	-179.3	173.1	0	0	112.7	V614	E612-V614 PolarHBondContact O-N 3.22Å; E612-V614 VanDerWaalsContact O-N 3.17Å
613	K	88.8	Confident	96.6	Very high	140 Å²	140	27.4 Å²	27.4	61%	0.609	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	-0.5	-175.8	-50.9	177.4	-178.4	174.6	0	116.7	R611 E639	R611-K613 PolarHBondContact O-N 2.91Å; R611-K613 VanDerWaalsContact O-N 3.16Å; K613-E639 HydrophobicContact CB-CG 4.3Å
614	V	94.9	Very high	96.6	Very high	37 Å²	37	27.6 Å²	27.6	22%	0.224	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.8	173	-180	0	0	0	0	109.8	L610 R611 E612 V616 E639	L610-V614 WeakPolarHBondContact CA-O 3.47Å; R611-V614 PolarHBondContact N-O 2.91Å; R611-V614 WeakPolarHBondContact O-CB 3.47Å; R611-V614 PolarHBondContact O-N 3.12Å; E612-V614 PolarHBondContact O-N 3.22Å; E612-V614 VanDerWaalsContact O-N 3.17Å; V614-V616 PolarHBondContact O-N 2.81Å; V614-E639 HydrophobicContact CG2-CG 4.12Å
615	V	96.9	Very high	96.5	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.8	175.2	-179.4	0	0	0	0	109.7	F608 Y609 L610 G617 I618 I633 I634 L643	F608-V615 HydrophobicContact CB-CG1 4.49Å; F608-V615 HydrophobicContact CB-CG2 4.28Å; F608-V615 HydrophobicContact CD1-CG1 4.09Å; F608-V615 HydrophobicContact CD1-CG2 4.08Å; Y609-V615 WeakPolarHBondContact O-CA 3.49Å; L610-V615 HydrophobicContact CD2-CB 4.47Å; L610-V615 HydrophobicContact CD2-CG2 3.77Å; V615-G617 WeakPolarHBondContact CG1-O 3.4Å; V615-I618 HydrophobicContact CG1-CD1 3.98Å; V615-I618 HydrophobicContact CG1-CG1 3.64Å; V615-I633 HydrophobicContact CB-CG2 3.96Å; V615-I633 HydrophobicContact CG1-CG2 4.1Å; V615-I633 HydrophobicContact CG2-CG2 4.15Å; V615-I634 HydrophobicContact CG1-CG1 4.19Å; V615-L643 HydrophobicContact CG2-CD2 3.98Å
616	V	96.8	Very high	96.4	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.103	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-12	178.7	-62.8	0	0	0	0	113.2	L492 G541 I542 L547 Y609 R611 V614	L492-V616 HydrophobicContact CD2-CB 4.35Å; G541-V616 CarbonylContact C-O 3.57Å; G541-V616 WeakPolarHBondContact CA-O 3.48Å; I542-V616 HydrophobicContact CB-CG2 4.28Å; I542-V616 PolarHBondContact N-O 3.49Å; L547-V616 HydrophobicContact CD1-CG2 4.17Å; Y609-V616 WeakPolarHBondContact O-CG2 3.35Å; Y609-V616 PolarHBondContact O-N 2.91Å; R611-V616 HydrophobicContact CB-CG1 3.96Å; R611-V616 HydrophobicContact CG-CG1 4.16Å; R611-V616 HydrophobicContact CG-CG2 4.01Å; V614-V616 PolarHBondContact O-N 2.81Å
617	G	98	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	154.3	176.3	0	0	0	0	0	111.8	I540 I542 Y609 V615	I540-G617 CarbonylContact O-C 3.57Å; I540-G617 WeakPolarHBondContact O-CA 3.29Å; I542-G617 WeakPolarHBondContact O-CA 3.36Å; Y609-G617 PolarHBondContact N-O 2.9Å; Y609-G617 PolarHBondContact O-N 3.38Å; V615-G617 WeakPolarHBondContact CG1-O 3.4Å
618	I	98.6	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.4	179.9	-65.1	174.4	0	0	0	108.8	A539 I540 V606 I607 F608 V615 L620 A630 I633 I634 F650	A539-I618 WeakPolarHBondContact CA-O 3.25Å; I540-I618 HydrophobicContact CG2-CB 3.97Å; I540-I618 PolarHBondContact N-O 2.83Å; I540-I618 PolarHBondContact O-N 3.24Å; V606-I618 HydrophobicContact CG2-CG2 3.77Å; I607-I618 CarbonylContact O-C 3.57Å; I607-I618 VanDerWaalsContact O-CA 3.29Å; I607-I618 WeakPolarHBondContact O-CA 3.38Å; F608-I618 HydrophobicContact CD1-CD1 4.08Å; F608-I618 HydrophobicContact CD1-CG1 3.91Å; F608-I618 HydrophobicContact CE1-CD1 4.08Å; F608-I618 HydrophobicContact CE1-CG1 4.34Å; V615-I618 HydrophobicContact CG1-CD1 3.98Å; V615-I618 HydrophobicContact CG1-CG1 3.64Å; I618-L620 HydrophobicContact CG2-CD2 3.95Å; I618-L620 HydrophobicContact CG2-CG 4.26Å; I618-A630 HydrophobicContact CB-CB 4.35Å; I618-A630 HydrophobicContact CD1-CB 3.81Å; I618-A630 HydrophobicContact CG2-CB 4.27Å; I618-I633 HydrophobicContact CD1-CB 4.25Å; I618-I633 HydrophobicContact CD1-CD1 4.32Å; I618-I633 HydrophobicContact CD1-CG2 4.17Å; I618-I634 HydrophobicContact CD1-CD1 4.41Å; I618-I634 HydrophobicContact CD1-CG1 4.28Å; I618-I634 HydrophobicContact CG1-CD1 4.27Å; I618-I634 HydrophobicContact CG1-CG1 4.44Å; I618-F650 HydrophobicContact CD1-CZ 4.27Å
619	I	98.7	Very high	96.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.3	162.8	-69	-177.7	0	0	0	109.4	V388 L389 E538 A539 V543 V606 I607 Y609	V388-I619 HydrophobicContact CG1-CD1 3.46Å; V388-I619 VanDerWaalsContact CG1-CD1 3.46Å; L389-I619 HydrophobicContact CD2-CD1 3.48Å; L389-I619 VanDerWaalsContact CD2-CD1 3.48Å; L389-I619 HydrophobicContact CD2-CG2 4.17Å; E538-I619 CarbonylContact O-C 3.55Å; E538-I619 WeakPolarHBondContact O-CA 3.42Å; A539-I619 HydrophobicContact CB-CG1 3.97Å; V543-I619 HydrophobicContact CB-CD1 4.15Å; V543-I619 HydrophobicContact CB-CG1 4.21Å; V543-I619 HydrophobicContact CG1-CD1 4.27Å; V543-I619 HydrophobicContact CG1-CG1 3.78Å; V606-I619 CarbonylContact C-O 3.5Å; V606-I619 WeakPolarHBondContact CA-O 3.47Å; I607-I619 HydrophobicContact CB-CB 4.3Å; I607-I619 PolarHBondContact N-O 3.01Å; I607-I619 PolarHBondContact O-N 3.42Å; Y609-I619 HydrophobicContact CE2-CB 4.27Å; Y609-I619 HydrophobicContact CE2-CD1 3.92Å; Y609-I619 HydrophobicContact CE2-CG1 3.78Å; Y609-I619 WeakPolarHBondContact OH-CD1 3.04Å
620	L	98.6	Very high	95.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	171.7	-60.7	-178.7	0	0	0	108	Y537 E538 V606 I618 V623 R626 M627 F650	Y537-L620 CarbonylContact C-O 3.59Å; Y537-L620 VanDerWaalsContact CA-O 3.26Å; Y537-L620 WeakPolarHBondContact CA-O 3.34Å; E538-L620 HydrophobicContact CB-CB 4.18Å; E538-L620 PolarHBondContact N-O 3.27Å; E538-L620 PolarHBondContact O-N 3.19Å; V606-L620 HydrophobicContact CB-CD2 4.08Å; V606-L620 HydrophobicContact CG2-CD2 3.77Å; I618-L620 HydrophobicContact CG2-CD2 3.95Å; I618-L620 HydrophobicContact CG2-CG 4.26Å; L620-V623 HydrophobicContact CB-CB 4.13Å; L620-V623 HydrophobicContact CD1-CG1 4.5Å; L620-V623 HydrophobicContact CD2-CB 4.35Å; L620-V623 HydrophobicContact CD2-CG1 4.36Å; L620-R626 HydrophobicContact CD1-CB 4.28Å; L620-M627 HydrophobicContact CD1-CE 4.29Å; L620-F650 HydrophobicContact CD1-CD1 4.39Å; L620-F650 HydrophobicContact CD1-CE1 4.31Å; L620-F650 HydrophobicContact CD2-CD1 3.48Å; L620-F650 VanDerWaalsContact CD2-CD1 3.48Å; L620-F650 HydrophobicContact CD2-CE1 3.68Å; L620-F650 HydrophobicContact CD2-CG 4.21Å
621	W	98.6	Very high	95.8	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.8	174.2	165.9	41.5	0	0	0	108	Y392 L393 W396 Y537 F553 Y602 G603 K604 G605 V623	Y392-W621 HydrophobicContact CE1-CZ3 4.36Å; L393-W621 HydrophobicContact CD1-CB 4.49Å; L393-W621 HydrophobicContact CD1-CD2 3.45Å; L393-W621 VanDerWaalsContact CD1-CD2 3.45Å; L393-W621 HydrophobicContact CD1-CE3 3.51Å; L393-W621 HydrophobicContact CD1-CG 3.89Å; L393-W621 HydrophobicContact CD1-CH2 4.25Å; L393-W621 HydrophobicContact CD1-CZ2 4.25Å; L393-W621 HydrophobicContact CD1-CZ3 3.92Å; L393-W621 HydrophobicContact CD2-CB 3.9Å; L393-W621 HydrophobicContact CD2-CD2 4.42Å; L393-W621 HydrophobicContact CD2-CG 4.18Å; W396-W621 HydrophobicContact CD2-CH2 4.05Å; W396-W621 AromaticContact CD2-CZ2 3.62Å; W396-W621 HydrophobicContact CD2-CZ2 3.62Å; W396-W621 AromaticContact CE2-CH2 3.89Å; W396-W621 AromaticContact CE2-CZ2 3.39Å; W396-W621 AromaticContact CE3-CZ2 3.79Å; W396-W621 HydrophobicContact CE3-CZ2 3.79Å; W396-W621 HydrophobicContact CG-CH2 4.31Å; W396-W621 HydrophobicContact CG-CZ2 4.35Å; W396-W621 AromaticContact CH2-CE2 3.96Å; W396-W621 AromaticContact CH2-CZ2 3.64Å; W396-W621 HydrophobicContact CH2-CZ2 3.64Å; W396-W621 AromaticContact CH2-NE1 3.71Å; W396-W621 HydrophobicContact CZ2-CH2 4.34Å; W396-W621 AromaticContact CZ2-CZ2 3.45Å; W396-W621 HydrophobicContact CZ2-CZ2 3.45Å; W396-W621 VanDerWaalsContact CZ2-CZ2 3.45Å; W396-W621 AromaticContact CZ3-CE2 3.84Å; W396-W621 AromaticContact CZ3-CZ2 3.8Å; W396-W621 HydrophobicContact CZ3-CZ2 3.8Å; W396-W621 AromaticContact CZ3-NE1 3.53Å; W396-W621 AromaticContact NE1-CH2 3.93Å; W396-W621 AromaticContact NE1-CZ2 3.89Å; Y537-W621 HydrophobicContact CD1-CB 4.17Å; Y537-W621 HydrophobicContact CD1-CG 4.36Å; Y537-W621 HydrophobicContact CE1-CB 4.3Å; Y537-W621 AromaticContact CE1-CD1 3.63Å; Y537-W621 HydrophobicContact CE1-CG 4.06Å; F553-W621 AromaticContact CD1-CE3 3.86Å; F553-W621 HydrophobicContact CD1-CE3 3.86Å; F553-W621 AromaticContact CD1-CZ3 3.87Å; F553-W621 HydrophobicContact CD1-CZ3 3.87Å; F553-W621 HydrophobicContact CE1-CE3 4.11Å; F553-W621 HydrophobicContact CE1-CZ3 4.35Å; Y602-W621 WeakPolarHBondContact O-CH2 3.48Å; G603-W621 VanDerWaalsContact C-CZ2 3.45Å; G603-W621 WeakPolarHBondContact O-CZ2 3.46Å; K604-W621 CarbonylContact C-O 3.52Å; K604-W621 WeakPolarHBondContact CA-O 3.46Å; K604-W621 WeakPolarHBondContact CB-O 3.14Å; G605-W621 PolarHBondContact N-O 3Å; G605-W621 PolarHBondContact O-N 2.97Å; W621-V623 PolarHBondContact O-N 3.49Å
622	N	98	Very high	95.8	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	51.5	37.7	-175	-77.3	-15.9	0	0	0	113.1	V535 G536 D560 G603 K604	V535-N622 WeakPolarHBondContact CA-OD1 3.36Å; G536-N622 PolarHBondContact N-OD1 3Å; G536-N622 PolarHBondContact O-N 3.1Å; G536-N622 PolarHBondContact O-OD1 3.06Å; D560-N622 HydrophobicContact CB-CB 4.4Å; D560-N622 WeakPolarHBondContact CB-O 3.29Å; D560-N622 VanDerWaalsContact O-CB 3.29Å; D560-N622 WeakPolarHBondContact O-CB 3.48Å; D560-N622 VanDerWaalsContact O-CG 3.25Å; G603-N622 WeakPolarHBondContact O-CB 3.15Å; G603-N622 PolarHBondContact O-ND2 3.03Å; K604-N622 HydrophobicContact CB-CB 3.87Å
623	V	96.6	Very high	96.1	Very high	4 Å²	4	22 Å²	22	2%	0.024	11%	0.106	C	C	.	.			trans	-126.7	119.1	170.8	178.3	0	0	0	0	106.9	K604 L620 W621 R626 F650 I652	K604-V623 HydrophobicContact CB-CG2 4.3Å; L620-V623 HydrophobicContact CB-CB 4.13Å; L620-V623 HydrophobicContact CD1-CG1 4.5Å; L620-V623 HydrophobicContact CD2-CB 4.35Å; L620-V623 HydrophobicContact CD2-CG1 4.36Å; W621-V623 PolarHBondContact O-N 3.49Å; V623-R626 HydrophobicContact CG1-CB 4.05Å; V623-R626 HydrophobicContact CG1-CG 3.79Å; V623-F650 HydrophobicContact CG1-CB 4.32Å; V623-F650 HydrophobicContact CG1-CD1 4.47Å; V623-I652 HydrophobicContact CG2-CD1 3.84Å
624	F	94.9	Very high	96.3	Very high	18 Å²	18	15.6 Å²	15.6	8%	0.079	8%	0.078	C	C	.	.			trans	-123.1	164.4	-176.6	-50.5	-81.3	0	0	0	109.8	T561 P562 A565 R626	T561-F624 VanDerWaalsContact C-CE2 3.41Å; P562-F624 HydrophobicContact CG-CZ 4.06Å; A565-F624 HydrophobicContact CB-CB 3.98Å; A565-F624 HydrophobicContact CB-CD1 4.16Å; A565-F624 HydrophobicContact CB-CD2 3.94Å; A565-F624 HydrophobicContact CB-CG 3.75Å; F624-R626 VanDerWaalsContact C-N 3.3Å; F624-R626 WeakPolarHBondContact O-CG 3.27Å; F624-R626 PolarHBondContact O-N 2.88Å
625	N	93.5	Very high	96.2	Very high	52 Å²	52	19.1 Å²	19.1	28%	0.278	9%	0.09	S	C	.	.	S	Bend	trans	58.5	37	-176.7	-53.2	-48.8	0	0	0	112.8	E568 E578	E568-N625 PolarHBondContact OE2-ND2 2.74Å; E578-N625 WeakPolarHBondContact OE1-CA 3.17Å; E578-N625 PolarHBondContact OE1-N 2.88Å; E578-N625 WeakPolarHBondContact OE2-CA 3.38Å; E578-N625 PolarHBondContact OE2-N 2.7Å
626	R	95.8	Very high	96	Very high	68 Å²	68	21.6 Å²	21.6	26%	0.257	10%	0.103	S	C	.	.			trans	-137.4	1.5	-174.2	-64	-68.4	179.6	-89.6	0.4	113.6	E578 L620 V623 F624 P628 I629 A630 F650 N651	E578-R626 PolarHBondContact OE2-N 3.15Å; L620-R626 HydrophobicContact CD1-CB 4.28Å; V623-R626 HydrophobicContact CG1-CB 4.05Å; V623-R626 HydrophobicContact CG1-CG 3.79Å; F624-R626 VanDerWaalsContact C-N 3.3Å; F624-R626 WeakPolarHBondContact O-CG 3.27Å; F624-R626 PolarHBondContact O-N 2.88Å; R626-P628 VanDerWaalsContact C-CD 3.49Å; R626-I629 WeakPolarHBondContact O-CB 2.99Å; R626-I629 PolarHBondContact O-N 3.47Å; R626-I629 VanDerWaalsContact O-N 3.12Å; R626-A630 PolarHBondContact O-N 3.28Å; R626-F650 HydrophobicContact CB-CD1 3.78Å; R626-F650 HydrophobicContact CB-CE1 4.15Å; R626-F650 HydrophobicContact CG-CD1 4.39Å; R626-N651 PolarHBondContact NH2-ND2 3.36Å
627	M	97.1	Very high	95.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-36.4	176.3	-169.5	58	58.6	0	0	113.7	M526 E538 I540 E578 L620 I629 A630 R631	M526-M627 HydrophobicContact CB-CE 3.94Å; M526-M627 HydrophobicContact CB-CG 3.93Å; M526-M627 HydrophobicContact CB-SD 3.82Å; M526-M627 HydrophobicContact CE-CE 4.11Å; M526-M627 HydrophobicContact CG-CG 4.4Å; M526-M627 HydrophobicContact SD-CB 4.4Å; M526-M627 HydrophobicContact SD-CE 4.42Å; M526-M627 HydrophobicContact SD-CG 3.86Å; E538-M627 HydrophobicContact CB-CE 3.55Å; E538-M627 HydrophobicContact CG-CE 4.47Å; E538-M627 VanDerWaalsContact OE2-CE 3.31Å; E538-M627 WeakPolarHBondContact OE2-CE 3.46Å; I540-M627 HydrophobicContact CB-SD 3.69Å; I540-M627 HydrophobicContact CD1-SD 3.79Å; I540-M627 HydrophobicContact CG1-SD 4.34Å; I540-M627 HydrophobicContact CG2-CE 4.48Å; I540-M627 HydrophobicContact CG2-SD 3.65Å; E578-M627 HydrophobicContact CB-CB 3.84Å; E578-M627 HydrophobicContact CG-CB 3.74Å; E578-M627 WeakPolarHBondContact OE2-CB 3.5Å; E578-M627 PolarHBondContact OE2-N 2.8Å; L620-M627 HydrophobicContact CD1-CE 4.29Å; M627-I629 PolarHBondContact O-N 3.29Å; M627-A630 PolarHBondContact O-N 3.25Å; M627-A630 VanDerWaalsContact O-N 3.1Å; M627-A630 HydrophobicContact SD-CB 4.11Å; M627-R631 PolarHBondContact O-N 2.84Å
628	P	96	Very high	95.4	Very high	25 Å²	25	27.8 Å²	27.8	16%	0.162	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-31.4	174.5	-28.1	37.2	0	0	0	113.9	E578 A583 R626 K632	E578-P628 WeakPolarHBondContact O-CG 3.45Å; A583-P628 HydrophobicContact CB-CB 4.25Å; A583-P628 PolarHBondContact N-O 3.01Å; R626-P628 VanDerWaalsContact C-CD 3.49Å; P628-K632 PolarHBondContact O-N 3.49Å
629	I	95.2	Very high	95.1	Very high	31 Å²	31	34 Å²	34	16%	0.159	17%	0.167	C	C	.	.	H	α-helix	trans	-71.8	-45.9	174.9	-60.5	178.2	0	0	0	109.8	A583 R626 M627 R631 K632 I633 L649 F650	A583-I629 HydrophobicContact CB-CG1 4.28Å; R626-I629 WeakPolarHBondContact O-CB 2.99Å; R626-I629 PolarHBondContact O-N 3.47Å; R626-I629 VanDerWaalsContact O-N 3.12Å; M627-I629 PolarHBondContact O-N 3.29Å; I629-R631 VanDerWaalsContact C-N 3.33Å; I629-R631 PolarHBondContact O-N 2.78Å; I629-K632 WeakPolarHBondContact O-CB 3.33Å; I629-K632 PolarHBondContact O-N 2.88Å; I629-K632 VanDerWaalsContact O-N 3.1Å; I629-I633 HydrophobicContact CG2-CD1 4Å; I629-I633 WeakPolarHBondContact O-CG1 3.29Å; I629-I633 PolarHBondContact O-N 3.46Å; I629-L649 WeakPolarHBondContact CD1-O 3.12Å; I629-L649 HydrophobicContact CG2-CB 3.87Å; I629-L649 HydrophobicContact CG2-CD1 4.17Å; I629-F650 HydrophobicContact CB-CE1 4.33Å; I629-F650 HydrophobicContact CB-CZ 4.43Å; I629-F650 HydrophobicContact CG2-CE1 4.22Å; I629-F650 HydrophobicContact CG2-CE2 4.31Å; I629-F650 HydrophobicContact CG2-CZ 3.9Å
630	A	96.1	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-41.8	177	0	0	0	0	0	112.3	I540 I618 R626 M627 K632 I633 I634 F650	I540-A630 HydrophobicContact CG2-CB 3.83Å; I618-A630 HydrophobicContact CB-CB 4.35Å; I618-A630 HydrophobicContact CD1-CB 3.81Å; I618-A630 HydrophobicContact CG2-CB 4.27Å; R626-A630 PolarHBondContact O-N 3.28Å; M627-A630 PolarHBondContact O-N 3.25Å; M627-A630 VanDerWaalsContact O-N 3.1Å; M627-A630 HydrophobicContact SD-CB 4.11Å; A630-K632 PolarHBondContact O-N 3.49Å; A630-I633 PolarHBondContact O-N 3.01Å; A630-I634 WeakPolarHBondContact O-CG1 3.4Å; A630-I634 PolarHBondContact O-N 3.23Å; A630-F650 HydrophobicContact CB-CE1 4.08Å; A630-F650 HydrophobicContact CB-CZ 4.11Å
631	R	95.2	Very high	94.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-56	-48.6	171.2	-75.4	-177.1	-169.7	121.2	0.9	111.2	Q524 I540 T579 D581 T582 M627 I629 I633 I634 K635	Q524-R631 HydrophobicContact CB-CG 4.32Å; Q524-R631 PolarHBondContact O-NE 3.49Å; Q524-R631 PolarHBondContact OE1-O 3.37Å; Q524-R631 VanDerWaalsContact OE1-O 3.07Å; I540-R631 HydrophobicContact CD1-CB 4.29Å; I540-R631 HydrophobicContact CD1-CG 3.3Å; T579-R631 PolarHBondContact O-NH1 2.91Å; T579-R631 PolarHBondContact O-NH2 3.42Å; D581-R631 WeakPolarHBondContact O-CD 3.41Å; D581-R631 PolarHBondContact O-NH1 2.82Å; T582-R631 HydrophobicContact CG2-CB 4.03Å; M627-R631 PolarHBondContact O-N 2.84Å; I629-R631 VanDerWaalsContact C-N 3.33Å; I629-R631 PolarHBondContact O-N 2.78Å; R631-I633 PolarHBondContact O-N 2.83Å; R631-I634 PolarHBondContact O-N 3.23Å; R631-K635 WeakPolarHBondContact O-CB 3.26Å; R631-K635 PolarHBondContact O-N 2.99Å
632	K	94.3	Very high	93.7	Very high	47 Å²	47	47 Å²	47	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-48.5	-178	-175.8	60.7	163.4	82.3	0	111.4	T582 A583 P628 I629 A630 I634 K635 D636	T582-K632 HydrophobicContact CG2-CB 3.73Å; T582-K632 HydrophobicContact CG2-CD 3.97Å; T582-K632 HydrophobicContact CG2-CG 4.44Å; A583-K632 HydrophobicContact CB-CB 4.35Å; A583-K632 WeakPolarHBondContact O-CD 3.46Å; P628-K632 PolarHBondContact O-N 3.49Å; I629-K632 WeakPolarHBondContact O-CB 3.33Å; I629-K632 PolarHBondContact O-N 2.88Å; I629-K632 VanDerWaalsContact O-N 3.1Å; A630-K632 PolarHBondContact O-N 3.49Å; K632-I634 PolarHBondContact O-N 3.25Å; K632-K635 PolarHBondContact O-N 2.81Å; K632-D636 IonicContact NZ-OD1 2.61Å; K632-D636 PolarHBondContact NZ-OD1 2.76Å; K632-D636 IonicContact NZ-OD2 2.64Å; K632-D636 PolarHBondContact NZ-OD2 3.38Å; K632-D636 PolarHBondContact O-N 2.8Å
633	I	94.9	Very high	93.4	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-51.5	180	-68.1	165.4	0	0	0	111.1	V615 I618 I629 A630 R631 K635 D636 G637 V646 L649 F650	V615-I633 HydrophobicContact CB-CG2 3.96Å; V615-I633 HydrophobicContact CG1-CG2 4.1Å; V615-I633 HydrophobicContact CG2-CG2 4.15Å; I618-I633 HydrophobicContact CD1-CB 4.25Å; I618-I633 HydrophobicContact CD1-CD1 4.32Å; I618-I633 HydrophobicContact CD1-CG2 4.17Å; I629-I633 HydrophobicContact CG2-CD1 4Å; I629-I633 WeakPolarHBondContact O-CG1 3.29Å; I629-I633 PolarHBondContact O-N 3.46Å; A630-I633 PolarHBondContact O-N 3.01Å; R631-I633 PolarHBondContact O-N 2.83Å; I633-K635 VanDerWaalsContact C-N 3.33Å; I633-K635 PolarHBondContact O-N 3.41Å; I633-D636 PolarHBondContact O-N 3.02Å; I633-G637 PolarHBondContact O-N 3.46Å; I633-V646 HydrophobicContact CD1-CG1 3.67Å; I633-V646 HydrophobicContact CG1-CG1 4.47Å; I633-L649 HydrophobicContact CD1-CD1 4.31Å; I633-F650 HydrophobicContact CD1-CE2 3.65Å; I633-F650 HydrophobicContact CD1-CZ 3.76Å
634	I	94.1	Very high	93.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-38.1	-180	-61.3	170.6	0	0	0	110.9	I540 V615 I618 A630 R631 K632 G637	I540-I634 HydrophobicContact CB-CD1 4.4Å; I540-I634 HydrophobicContact CG1-CD1 4.11Å; I540-I634 HydrophobicContact CG2-CD1 3.73Å; V615-I634 HydrophobicContact CG1-CG1 4.19Å; I618-I634 HydrophobicContact CD1-CD1 4.41Å; I618-I634 HydrophobicContact CD1-CG1 4.28Å; I618-I634 HydrophobicContact CG1-CD1 4.27Å; I618-I634 HydrophobicContact CG1-CG1 4.44Å; A630-I634 WeakPolarHBondContact O-CG1 3.4Å; A630-I634 PolarHBondContact O-N 3.23Å; R631-I634 PolarHBondContact O-N 3.23Å; K632-I634 PolarHBondContact O-N 3.25Å; I634-G637 PolarHBondContact O-N 3.08Å
635	K	92.4	Very high	93	Very high	111 Å²	111	54.9 Å²	54.9	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-65.1	-39.6	180	-176.7	177.8	178.9	-179.9	0	111.9	R491 T582 R631 K632 I633	R491-K635 PolarHBondContact NE-O 3.46Å; R491-K635 PolarHBondContact NH2-O 3.1Å; T582-K635 HydrophobicContact CG2-CD 4.3Å; R631-K635 WeakPolarHBondContact O-CB 3.26Å; R631-K635 PolarHBondContact O-N 2.99Å; K632-K635 PolarHBondContact O-N 2.81Å; I633-K635 VanDerWaalsContact C-N 3.33Å; I633-K635 PolarHBondContact O-N 3.41Å
636	D	92.6	Very high	93	Very high	55 Å²	55	53 Å²	53	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-44.3	178.1	-66.4	-21.4	0	0	0	110.6	R491 K632 I633 E638	R491-D636 PolarHBondContact NH2-O 3.19Å; K632-D636 IonicContact NZ-OD1 2.61Å; K632-D636 PolarHBondContact NZ-OD1 2.76Å; K632-D636 IonicContact NZ-OD2 2.64Å; K632-D636 PolarHBondContact NZ-OD2 3.38Å; K632-D636 PolarHBondContact O-N 2.8Å; I633-D636 PolarHBondContact O-N 3.02Å; D636-E638 VanDerWaalsContact C-N 3.28Å; D636-E638 HydrophobicContact CB-CG 4.17Å
637	G	90.1	Very high	92.9	Very high	27 Å²	27	49.8 Å²	49.8	28%	0.278	26%	0.259	S	S	.	.			trans	66.7	32.2	178.1	0	0	0	0	0	112.6	I633 I634	I633-G637 PolarHBondContact O-N 3.46Å; I634-G637 PolarHBondContact O-N 3.08Å
638	E	91.9	Very high	92.6	Very high	121 Å²	121	53.4 Å²	53.4	57%	0.565	27%	0.274	S	S	*	.			trans	-78.8	153.7	176.7	-67	-177.5	179.8	0	0	111.2	D636 H640	D636-E638 VanDerWaalsContact C-N 3.28Å; D636-E638 HydrophobicContact CB-CG 4.17Å; E638-H640 PolarHBondContact O-CD2 3.03Å
639	E	92.9	Very high	92.5	Very high	129 Å²	129	53.4 Å²	53.4	60%	0.603	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-75.2	134.2	168.4	-70.3	-173.6	-151.5	0	0	109.7	K613 V614	K613-E639 HydrophobicContact CB-CG 4.3Å; V614-E639 HydrophobicContact CG2-CG 4.12Å
640	H	89.7	Confident	92.4	Very high	45 Å²	45	52 Å²	52	21%	0.208	27%	0.265	C	S	.	.			trans	-109.4	121.1	175.4	-63.6	-74.9	0	0	0	110.2	E638 L643 V646	E638-H640 PolarHBondContact O-CD2 3.03Å; H640-L643 HydrophobicContact CB-CD2 3.69Å; H640-L643 HydrophobicContact CB-CG 4.2Å; H640-V646 HydrophobicContact CB-CG2 4.13Å; H640-V646 WeakPolarHBondContact ND1-CG2 3.44Å
641	V	85.6	Confident	92.2	Very high	158 Å²	158	55 Å²	55	96%	0.958	28%	0.282	S	S	*	.	S	Bend	trans	-71.4	-39.9	178.6	-179.1	0	0	0	0	111.1
642	D	90.1	Very high	91.8	Very high	73 Å²	73	55.2 Å²	55.2	39%	0.39	28%	0.283	S	S	.	.			trans	-133.7	109	179.1	-169.3	-7.5	0	0	0	110.7	N644 E645	D642-N644 VanDerWaalsContact C-N 3.28Å; D642-N644 PolarHBondContact O-N 2.94Å; D642-N644 VanDerWaalsContact OD1-CB 3.3Å; D642-N644 WeakPolarHBondContact OD1-CB 3.29Å; D642-N644 PolarHBondContact OD1-N 3.1Å; D642-N644 PolarHBondContact OD1-ND2 2.88Å; D642-E645 HydrophobicContact CB-CG 4.35Å; D642-E645 PolarHBondContact O-N 3.42Å
643	L	93.4	Very high	91	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-77.8	-12.4	179.5	-73	166.5	0	0	0	112.9	V550 F608 L610 V615 H640 V646 A647	V550-L643 HydrophobicContact CB-CD1 3.79Å; V550-L643 HydrophobicContact CG1-CB 4.07Å; V550-L643 HydrophobicContact CG1-CD1 4.24Å; V550-L643 HydrophobicContact CG2-CD1 3.79Å; F608-L643 HydrophobicContact CB-CD1 4.17Å; F608-L643 HydrophobicContact CB-CD2 4.41Å; F608-L643 HydrophobicContact CD1-CD2 4.27Å; F608-L643 HydrophobicContact CD2-CB 4.07Å; F608-L643 HydrophobicContact CD2-CD1 4.39Å; F608-L643 HydrophobicContact CD2-CD2 4.08Å; F608-L643 HydrophobicContact CD2-CG 4.41Å; F608-L643 HydrophobicContact CE2-CB 4.27Å; F608-L643 HydrophobicContact CE2-CD2 4.41Å; F608-L643 HydrophobicContact CG-CD1 4.43Å; F608-L643 HydrophobicContact CG-CD2 4Å; L610-L643 HydrophobicContact CD1-CD1 3.88Å; L610-L643 HydrophobicContact CD2-CD1 3.87Å; L610-L643 HydrophobicContact CG-CD1 4.41Å; V615-L643 HydrophobicContact CG2-CD2 3.98Å; H640-L643 HydrophobicContact CB-CD2 3.69Å; H640-L643 HydrophobicContact CB-CG 4.2Å; L643-V646 HydrophobicContact CD2-CB 4.32Å; L643-V646 HydrophobicContact CD2-CG2 4.19Å; L643-V646 PolarHBondContact O-N 2.97Å; L643-A647 WeakPolarHBondContact O-CB 3.25Å; L643-A647 PolarHBondContact O-N 2.98Å
644	N	91.9	Very high	88.7	Confident	76 Å²	76	64.5 Å²	64.5	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-38.2	171.3	-59.5	-72	0	0	0	110.8	D642 V646 A647	D642-N644 VanDerWaalsContact C-N 3.28Å; D642-N644 PolarHBondContact O-N 2.94Å; D642-N644 VanDerWaalsContact OD1-CB 3.3Å; D642-N644 WeakPolarHBondContact OD1-CB 3.29Å; D642-N644 PolarHBondContact OD1-N 3.1Å; D642-N644 PolarHBondContact OD1-ND2 2.88Å; N644-V646 VanDerWaalsContact C-N 3.35Å; N644-A647 WeakPolarHBondContact O-CB 3.23Å; N644-A647 PolarHBondContact O-N 3.04Å
645	E	90.8	Very high	86.3	Confident	105 Å²	105	70 Å²	70	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-39.2	173.6	-69	-57.9	132.8	0	0	111.8	D642 A647 K648	D642-E645 HydrophobicContact CB-CG 4.35Å; D642-E645 PolarHBondContact O-N 3.42Å; E645-A647 VanDerWaalsContact C-N 3.3Å; E645-A647 PolarHBondContact O-N 3.11Å; E645-K648 WeakPolarHBondContact O-CB 3.45Å; E645-K648 PolarHBondContact O-N 2.87Å; E645-K648 WeakPolarHBondContact OE1-CE 3.46Å; E645-K648 IonicContact OE1-NZ 2.85Å; E645-K648 PolarHBondContact OE1-NZ 2.92Å; E645-K648 WeakPolarHBondContact OE2-CE 3.27Å; E645-K648 IonicContact OE2-NZ 2.82Å; E645-K648 PolarHBondContact OE2-NZ 3.36Å
646	V	92.4	Very high	86	Confident	14 Å²	14	68 Å²	68	9%	0.085	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-36.2	175.2	-176.1	0	0	0	0	111.1	F608 I633 H640 L643 N644 K648 L649	F608-V646 HydrophobicContact CE1-CG1 3.93Å; F608-V646 HydrophobicContact CZ-CB 4.24Å; F608-V646 HydrophobicContact CZ-CG1 3.86Å; I633-V646 HydrophobicContact CD1-CG1 3.67Å; I633-V646 HydrophobicContact CG1-CG1 4.47Å; H640-V646 HydrophobicContact CB-CG2 4.13Å; H640-V646 WeakPolarHBondContact ND1-CG2 3.44Å; L643-V646 HydrophobicContact CD2-CB 4.32Å; L643-V646 HydrophobicContact CD2-CG2 4.19Å; L643-V646 PolarHBondContact O-N 2.97Å; N644-V646 VanDerWaalsContact C-N 3.35Å; V646-K648 PolarHBondContact O-N 2.8Å; V646-L649 HydrophobicContact CG1-CD1 4.23Å; V646-L649 VanDerWaalsContact O-CB 3.3Å; V646-L649 WeakPolarHBondContact O-CB 3.48Å; V646-L649 WeakPolarHBondContact O-CG 3.35Å; V646-L649 PolarHBondContact O-N 2.74Å; V646-L649 VanDerWaalsContact O-N 3.1Å
647	A	93.8	Very high	85.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-25.2	178.6	0	0	0	0	0	113.6	V552 V606 F608 L643 N644 E645 L649 F650 I652	V552-A647 HydrophobicContact CB-CB 3.72Å; V552-A647 HydrophobicContact CG1-CB 3.76Å; V552-A647 HydrophobicContact CG2-CB 3.83Å; V606-A647 HydrophobicContact CG1-CB 3.74Å; F608-A647 HydrophobicContact CE2-CB 4.31Å; L643-A647 WeakPolarHBondContact O-CB 3.25Å; L643-A647 PolarHBondContact O-N 2.98Å; N644-A647 WeakPolarHBondContact O-CB 3.23Å; N644-A647 PolarHBondContact O-N 3.04Å; E645-A647 VanDerWaalsContact C-N 3.3Å; E645-A647 PolarHBondContact O-N 3.11Å; A647-L649 PolarHBondContact O-N 3.23Å; A647-F650 WeakPolarHBondContact O-CA 3.22Å; A647-F650 WeakPolarHBondContact O-CB 3.46Å; A647-F650 PolarHBondContact O-N 3.49Å; A647-I652 HydrophobicContact CB-CB 4.18Å; A647-I652 PolarHBondContact O-N 3.06Å
648	K	91.9	Very high	85.4	Confident	77 Å²	77	71 Å²	71	34%	0.335	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-61.2	-28	174.8	-63.1	178.5	-175.2	169.2	0	112.8	A588 E645 V646 F650 N651	A588-K648 HydrophobicContact CB-CB 4.42Å; E645-K648 WeakPolarHBondContact O-CB 3.45Å; E645-K648 PolarHBondContact O-N 2.87Å; E645-K648 WeakPolarHBondContact OE1-CE 3.46Å; E645-K648 IonicContact OE1-NZ 2.85Å; E645-K648 PolarHBondContact OE1-NZ 2.92Å; E645-K648 WeakPolarHBondContact OE2-CE 3.27Å; E645-K648 IonicContact OE2-NZ 2.82Å; E645-K648 PolarHBondContact OE2-NZ 3.36Å; V646-K648 PolarHBondContact O-N 2.8Å; K648-F650 PolarHBondContact O-N 3.23Å; K648-N651 PolarHBondContact O-N 2.99Å; K648-N651 VanDerWaalsContact O-N 3.08Å
649	L	92.8	Very high	85	Confident	24 Å²	24	68.1 Å²	68.1	13%	0.126	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.4	173.9	-60.2	169.9	0	0	0	112.5	A586 A588 I629 I633 V646 A647	A586-L649 HydrophobicContact CB-CD1 3.97Å; A586-L649 HydrophobicContact CB-CD2 4.32Å; A588-L649 HydrophobicContact CB-CD2 4.05Å; I629-L649 WeakPolarHBondContact CD1-O 3.12Å; I629-L649 HydrophobicContact CG2-CB 3.87Å; I629-L649 HydrophobicContact CG2-CD1 4.17Å; I633-L649 HydrophobicContact CD1-CD1 4.31Å; V646-L649 HydrophobicContact CG1-CD1 4.23Å; V646-L649 VanDerWaalsContact O-CB 3.3Å; V646-L649 WeakPolarHBondContact O-CB 3.48Å; V646-L649 WeakPolarHBondContact O-CG 3.35Å; V646-L649 PolarHBondContact O-N 2.74Å; V646-L649 VanDerWaalsContact O-N 3.1Å; A647-L649 PolarHBondContact O-N 3.23Å
650	F	93.9	Very high	84.5	Confident	1 Å²	1	64.3 Å²	64.3	0%	0.004	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-98.4	13.7	178.2	-62.8	-81.2	0	0	0	112.7	V606 F608 I618 L620 V623 R626 I629 A630 I633 A647 K648 I652	V606-F650 HydrophobicContact CB-CB 4.49Å; V606-F650 HydrophobicContact CB-CD2 4.38Å; V606-F650 HydrophobicContact CB-CG 4.36Å; V606-F650 HydrophobicContact CG1-CD2 4.32Å; V606-F650 HydrophobicContact CG2-CD2 4.05Å; V606-F650 HydrophobicContact CG2-CE2 4.17Å; V606-F650 HydrophobicContact CG2-CG 4.29Å; F608-F650 AromaticContact CE1-CE2 3.95Å; F608-F650 HydrophobicContact CE1-CE2 3.95Å; F608-F650 HydrophobicContact CZ-CD2 4.25Å; F608-F650 AromaticContact CZ-CE2 4Å; F608-F650 HydrophobicContact CZ-CE2 4Å; I618-F650 HydrophobicContact CD1-CZ 4.27Å; L620-F650 HydrophobicContact CD1-CD1 4.39Å; L620-F650 HydrophobicContact CD1-CE1 4.31Å; L620-F650 HydrophobicContact CD2-CD1 3.48Å; L620-F650 VanDerWaalsContact CD2-CD1 3.48Å; L620-F650 HydrophobicContact CD2-CE1 3.68Å; L620-F650 HydrophobicContact CD2-CG 4.21Å; V623-F650 HydrophobicContact CG1-CB 4.32Å; V623-F650 HydrophobicContact CG1-CD1 4.47Å; R626-F650 HydrophobicContact CB-CD1 3.78Å; R626-F650 HydrophobicContact CB-CE1 4.15Å; R626-F650 HydrophobicContact CG-CD1 4.39Å; I629-F650 HydrophobicContact CB-CE1 4.33Å; I629-F650 HydrophobicContact CB-CZ 4.43Å; I629-F650 HydrophobicContact CG2-CE1 4.22Å; I629-F650 HydrophobicContact CG2-CE2 4.31Å; I629-F650 HydrophobicContact CG2-CZ 3.9Å; A630-F650 HydrophobicContact CB-CE1 4.08Å; A630-F650 HydrophobicContact CB-CZ 4.11Å; I633-F650 HydrophobicContact CD1-CE2 3.65Å; I633-F650 HydrophobicContact CD1-CZ 3.76Å; A647-F650 WeakPolarHBondContact O-CA 3.22Å; A647-F650 WeakPolarHBondContact O-CB 3.46Å; A647-F650 PolarHBondContact O-N 3.49Å; K648-F650 PolarHBondContact O-N 3.23Å; F650-I652 HydrophobicContact CB-CG1 4.06Å; F650-I652 PolarHBondContact O-N 3.26Å
651	N	90.8	Very high	84.2	Confident	65 Å²	65	65.5 Å²	65.5	35%	0.348	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	36.8	-172.9	-63.9	4.5	0	0	0	112.2	R626 K648	R626-N651 PolarHBondContact NH2-ND2 3.36Å; K648-N651 PolarHBondContact O-N 2.99Å; K648-N651 VanDerWaalsContact O-N 3.08Å
652	I	87.7	Confident	84.1	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.026	29%	0.292	C	S	.	.			trans	-96.3	102.2	168.1	-55.2	-52.8	0	0	0	106	V552 A554 K604 V606 V623 A647 F650	V552-I652 HydrophobicContact CB-CG2 4.18Å; V552-I652 HydrophobicContact CG1-CG2 3.65Å; A554-I652 HydrophobicContact CB-CD1 4.46Å; A554-I652 HydrophobicContact CB-CG2 4.01Å; K604-I652 HydrophobicContact CD-CD1 4.37Å; K604-I652 VanDerWaalsContact CE-CD1 3.46Å; K604-I652 HydrophobicContact CG-CD1 4.11Å; V606-I652 HydrophobicContact CG1-CG1 4.08Å; V623-I652 HydrophobicContact CG2-CD1 3.84Å; A647-I652 HydrophobicContact CB-CB 4.18Å; A647-I652 PolarHBondContact O-N 3.06Å; F650-I652 HydrophobicContact CB-CG1 4.06Å; F650-I652 PolarHBondContact O-N 3.26Å
653	H	76.6	Confident	83.6	Confident	95 Å²	95	57.8 Å²	57.8	44%	0.44	29%	0.285	S	S	.	.			trans	-103.5	147.9	176.9	-55.5	-63	0	0	0	108.7	D655	H653-D655 PolarHBondContact O-N 3.46Å
654	E	47.3	Very low	82.8	Confident	155 Å²	155	61.5 Å²	61.5	72%	0.724	30%	0.303	S	S	*	.			trans	-68.7	112.7	158.6	-67.9	-175.7	160.5	0	0	106.3
655	D	43.6	Very low	82	Confident	121 Å²	121	60.2 Å²	60.2	65%	0.647	29%	0.293	S	S	*	.			trans	-85.2	0	164.4	-75	-29.4	0	0	0	110	H653	H653-D655 PolarHBondContact O-N 3.46Å

Retrieved 655 of 655 residues in 237.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).